| 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 | 39.9 | Very low | 44.4 | Very low | 193 Ų | 193 | 112.9 Ų | 112.9 | 95% | 0.951 | 54% | 0.543 | S | S | * | . | 0 | -48.6 | 0 | -165.5 | 171.2 | -172.2 | 0 | 0 | 110.4 | D3 R4 | M1-D3 PolarHBondContact N-OD2 3.43Å; M1-D3 PolarHBondContact O-N 3.05Å; M1-D3 VanDerWaalsContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.03Å | |||
| 2 | V | 37.2 | Very low | 45.1 | Very low | 98 Ų | 98 | 105.1 Ų | 105.1 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -42.6 | -38.7 | 168.3 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | R4 I5 C6 | V2-R4 VanDerWaalsContact C-N 3.26Å; V2-R4 PolarHBondContact O-N 3.16Å; V2-R4 VanDerWaalsContact O-N 3.16Å; V2-I5 CarbonylContact O-C 3.57Å; V2-I5 WeakPolarHBondContact O-CA 3.38Å; V2-I5 WeakPolarHBondContact O-CB 3.37Å; V2-I5 PolarHBondContact O-N 3.04Å; V2-C6 PolarHBondContact O-N 3.16Å |
| 3 | D | 35.5 | Very low | 45.6 | Very low | 121 Ų | 121 | 98.5 Ų | 98.5 | 65% | 0.647 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -55.3 | -33.6 | -179.8 | -33.4 | -83.7 | 0 | 0 | 0 | 113.9 | M1 S7 | M1-D3 PolarHBondContact N-OD2 3.43Å; M1-D3 PolarHBondContact O-N 3.05Å; M1-D3 VanDerWaalsContact O-N 3.08Å; D3-S7 VanDerWaalsContact O-CB 3.26Å; D3-S7 WeakPolarHBondContact O-CB 3.38Å; D3-S7 PolarHBondContact O-N 2.89Å |
| 4 | R | 43.6 | Very low | 46.4 | Very low | 206 Ų | 206 | 93.4 Ų | 93.4 | 78% | 0.777 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -75.1 | -30.2 | 174.1 | -74.5 | -169.7 | 177.5 | -171.6 | 1.6 | 112.3 | M1 V2 S7 I8 | M1-R4 PolarHBondContact O-N 3.03Å; V2-R4 VanDerWaalsContact C-N 3.26Å; V2-R4 PolarHBondContact O-N 3.16Å; V2-R4 VanDerWaalsContact O-N 3.16Å; R4-S7 WeakPolarHBondContact O-CB 3.45Å; R4-I8 WeakPolarHBondContact O-CG1 3.49Å; R4-I8 PolarHBondContact O-N 2.88Å; R4-I8 VanDerWaalsContact O-N 3.08Å |
| 5 | I | 44.7 | Very low | 47.4 | Very low | 101 Ų | 101 | 95.2 Ų | 95.2 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.3 | -46.2 | 175.8 | -53.7 | 174.3 | 0 | 0 | 0 | 109.2 | V2 S7 I8 W9 | V2-I5 CarbonylContact O-C 3.57Å; V2-I5 WeakPolarHBondContact O-CA 3.38Å; V2-I5 WeakPolarHBondContact O-CB 3.37Å; V2-I5 PolarHBondContact O-N 3.04Å; I5-S7 VanDerWaalsContact C-N 3.29Å; I5-S7 PolarHBondContact O-N 3.08Å; I5-I8 WeakPolarHBondContact O-CB 3.26Å; I5-I8 PolarHBondContact O-N 3.4Å; I5-I8 VanDerWaalsContact O-N 3.1Å; I5-W9 PolarHBondContact O-N 2.96Å; I5-W9 VanDerWaalsContact O-N 3.08Å |
| 6 | C | 42.2 | Very low | 48.6 | Very low | 60 Ų | 60 | 90.8 Ų | 90.8 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 169.2 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | V2 I8 W9 F10 | V2-C6 PolarHBondContact O-N 3.16Å; C6-I8 PolarHBondContact O-N 2.84Å; C6-W9 WeakPolarHBondContact O-CB 3.48Å; C6-W9 PolarHBondContact O-N 3.41Å; C6-W9 VanDerWaalsContact O-N 3.15Å; C6-F10 WeakPolarHBondContact O-CD2 3.5Å; C6-F10 PolarHBondContact O-N 3.08Å |
| 7 | S | 46.3 | Very low | 49.5 | Very low | 49 Ų | 49 | 91.2 Ų | 91.2 | 34% | 0.343 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -55.5 | -48.9 | 173.1 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | D3 R4 I5 W9 F10 W11 | D3-S7 VanDerWaalsContact O-CB 3.26Å; D3-S7 WeakPolarHBondContact O-CB 3.38Å; D3-S7 PolarHBondContact O-N 2.89Å; R4-S7 WeakPolarHBondContact O-CB 3.45Å; I5-S7 VanDerWaalsContact C-N 3.29Å; I5-S7 PolarHBondContact O-N 3.08Å; S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 3.46Å; S7-F10 CarbonylContact O-C 3.55Å; S7-F10 WeakPolarHBondContact O-CA 3.48Å; S7-F10 WeakPolarHBondContact O-CB 3.49Å; S7-F10 PolarHBondContact O-N 2.92Å; S7-W11 VanDerWaalsContact C-CD1 3.48Å; S7-W11 PolarHBondContact O-N 3.47Å; S7-W11 PolarHBondContact OG-NE1 3.22Å; S7-W11 VanDerWaalsContact OG-NE1 3.09Å |
| 8 | I | 49.5 | Very low | 50.7 | Low | 73 Ų | 73 | 87.6 Ų | 87.6 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.5 | -41.8 | 176.7 | -68.7 | 163.4 | 0 | 0 | 0 | 111.7 | R4 I5 C6 F10 W11 F12 | R4-I8 WeakPolarHBondContact O-CG1 3.49Å; R4-I8 PolarHBondContact O-N 2.88Å; R4-I8 VanDerWaalsContact O-N 3.08Å; I5-I8 WeakPolarHBondContact O-CB 3.26Å; I5-I8 PolarHBondContact O-N 3.4Å; I5-I8 VanDerWaalsContact O-N 3.1Å; C6-I8 PolarHBondContact O-N 2.84Å; I8-F10 PolarHBondContact O-N 3.37Å; I8-W11 PolarHBondContact O-N 3.24Å; I8-F12 PolarHBondContact O-N 2.93Å |
| 9 | W | 51.7 | Low | 52.2 | Low | 87 Ų | 87 | 88.6 Ų | 88.6 | 33% | 0.33 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 171.1 | -92.2 | 35.7 | 0 | 0 | 0 | 112.7 | I5 C6 S7 W11 F12 G13 L78 P81 | I5-W9 PolarHBondContact O-N 2.96Å; I5-W9 VanDerWaalsContact O-N 3.08Å; C6-W9 WeakPolarHBondContact O-CB 3.48Å; C6-W9 PolarHBondContact O-N 3.41Å; C6-W9 VanDerWaalsContact O-N 3.15Å; S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 3.46Å; W9-W11 VanDerWaalsContact C-N 3.34Å; W9-W11 PolarHBondContact O-N 3.26Å; W9-F12 PolarHBondContact O-N 3.07Å; W9-G13 PolarHBondContact O-N 3.41Å; W9-L78 PolarHBondContact NE1-O 3.44Å; W9-L78 VanDerWaalsContact NE1-O 3.1Å; W9-P81 HydrophobicContact CH2-CB 3.5Å; W9-P81 HydrophobicContact CH2-CG 3.75Å; W9-P81 HydrophobicContact CZ2-CB 4Å; W9-P81 HydrophobicContact CZ2-CG 4.06Å; W9-P81 HydrophobicContact CZ3-CB 3.97Å |
| 10 | F | 47.4 | Very low | 54 | Low | 128 Ų | 128 | 86.5 Ų | 86.5 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.3 | -26.3 | 173.6 | -89.5 | -92.9 | 0 | 0 | 0 | 114.2 | C6 S7 I8 F12 N15 | C6-F10 WeakPolarHBondContact O-CD2 3.5Å; C6-F10 PolarHBondContact O-N 3.08Å; S7-F10 CarbonylContact O-C 3.55Å; S7-F10 WeakPolarHBondContact O-CA 3.48Å; S7-F10 WeakPolarHBondContact O-CB 3.49Å; S7-F10 PolarHBondContact O-N 2.92Å; I8-F10 PolarHBondContact O-N 3.37Å; F10-F12 PolarHBondContact O-N 3.08Å; F10-N15 WeakPolarHBondContact CE1-OD1 3.36Å |
| 11 | W | 49.9 | Very low | 55.7 | Low | 126 Ų | 126 | 84.5 Ų | 84.5 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.3 | -22.5 | 174.1 | -75 | 97.3 | 0 | 0 | 0 | 112.7 | S7 I8 W9 | S7-W11 VanDerWaalsContact C-CD1 3.48Å; S7-W11 PolarHBondContact O-N 3.47Å; S7-W11 PolarHBondContact OG-NE1 3.22Å; S7-W11 VanDerWaalsContact OG-NE1 3.09Å; I8-W11 PolarHBondContact O-N 3.24Å; W9-W11 VanDerWaalsContact C-N 3.34Å; W9-W11 PolarHBondContact O-N 3.26Å |
| 12 | F | 53.6 | Low | 58 | Low | 19 Ų | 19 | 75.3 Ų | 75.3 | 8% | 0.083 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -114.8 | -31.1 | -175.7 | -75.5 | -88.5 | 0 | 0 | 0 | 115.2 | I8 W9 F10 C82 R86 Q135 V139 L144 | I8-F12 PolarHBondContact O-N 2.93Å; W9-F12 PolarHBondContact O-N 3.07Å; F10-F12 PolarHBondContact O-N 3.08Å; F12-C82 HydrophobicContact CB-CB 4.28Å; F12-R86 PolarHBondContact O-NE 3.4Å; F12-R86 PolarHBondContact O-NH2 3.2Å; F12-Q135 HydrophobicContact CD1-CG 4.08Å; F12-V139 HydrophobicContact CD1-CG2 3.87Å; F12-V139 HydrophobicContact CE1-CG2 3.74Å; F12-L144 HydrophobicContact CE2-CD1 3.94Å; F12-L144 HydrophobicContact CE2-CD2 4.31Å; F12-L144 HydrophobicContact CZ-CD1 4.44Å; F12-L144 HydrophobicContact CZ-CD2 4.36Å |
| 13 | G | 51.4 | Low | 60.6 | Low | 19 Ų | 19 | 70.9 Ų | 70.9 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | trans | -88.6 | 162.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W9 | W9-G13 PolarHBondContact O-N 3.41Š| ||
| 14 | S | 57.1 | Low | 63.3 | Low | 28 Ų | 28 | 67.1 Ų | 67.1 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | trans | -97.3 | 155.4 | 166.5 | -168.3 | 0 | 0 | 0 | 0 | 109.9 | R16 R85 R214 | S14-R16 PolarHBondContact O-N 2.97Å; S14-R85 WeakPolarHBondContact O-CD 3.11Å; S14-R85 WeakPolarHBondContact O-CG 3.45Å; S14-R85 PolarHBondContact O-NE 3.05Å; S14-R214 PolarHBondContact OG-NH2 3.31Å; S14-R214 VanDerWaalsContact OG-NH2 3.11Å | ||
| 15 | N | 60.7 | Low | 65.7 | Low | 120 Ų | 120 | 62.4 Ų | 62.4 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | trans | -75.6 | 54.9 | 175.4 | -70.2 | 2.9 | 0 | 0 | 0 | 112.6 | F10 | F10-N15 WeakPolarHBondContact CE1-OD1 3.36Š| ||
| 16 | R | 66.9 | Low | 68 | Low | 25 Ų | 25 | 58.3 Ų | 58.3 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | trans | -85.9 | 131.8 | 174.1 | -71.5 | -174.7 | 171.9 | 174.3 | -4.4 | 110.5 | S14 R85 V209 P210 Y212 | S14-R16 PolarHBondContact O-N 2.97Å; R16-R85 HydrophobicContact CB-CG 4.45Å; R16-R85 PolarHBondContact O-NE 3.21Å; R16-R85 PolarHBondContact O-NH2 3.17Å; R16-V209 HydrophobicContact CB-CG1 3.84Å; R16-P210 VanDerWaalsContact CZ-O 3.31Å; R16-P210 PolarHBondContact NH1-O 3.28Å; R16-Y212 PolarHBondContact NH2-O 2.86Å | ||
| 17 | P | 63.7 | Low | 70.5 | Confident | 98 Ų | 98 | 57 Ų | 57 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | trans | -71.2 | 175.3 | 162.3 | 34.3 | -35.3 | 0 | 0 | 0 | 110.4 | ||||
| 18 | G | 70.7 | Confident | 72.7 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 27% | 0.268 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 111.8 | 151.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y208 | G18-Y208 VanDerWaalsContact CA-O 3.24Å; G18-Y208 WeakPolarHBondContact CA-O 3.32Å |
| 19 | F | 80.4 | Confident | 74.7 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | trans | -76.8 | 144 | 175.1 | -177.3 | -104.1 | 0 | 0 | 0 | 111.1 | L21 T24 W206 Y208 V209 | F19-L21 HydrophobicContact CD1-CB 4.2Å; F19-L21 HydrophobicContact CD1-CD1 4.37Å; F19-L21 HydrophobicContact CE1-CD1 4.4Å; F19-L21 PolarHBondContact O-N 3.43Å; F19-T24 HydrophobicContact CE1-CG2 3.99Å; F19-T24 WeakPolarHBondContact CE1-OG1 3.38Å; F19-T24 HydrophobicContact CZ-CG2 3.76Å; F19-W206 WeakPolarHBondContact CB-O 3.37Å; F19-W206 PolarHBondContact N-O 3.28Å; F19-Y208 CarbonylContact O-C 3.56Å; F19-Y208 WeakPolarHBondContact O-CA 3.26Å; F19-V209 WeakPolarHBondContact O-CG2 3.42Å | ||
| 20 | F | 86.9 | Confident | 76.6 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 20% | 0.202 | 28% | 0.281 | C | S | . | . | trans | -79.6 | 55.2 | -177.6 | -53.5 | -67.9 | 0 | 0 | 0 | 112.5 | G22 T23 T24 P81 E84 R85 V209 | F20-G22 VanDerWaalsContact C-N 3.28Å; F20-G22 PolarHBondContact O-N 2.9Å; F20-T23 VanDerWaalsContact CB-OG1 3.26Å; F20-T23 WeakPolarHBondContact CB-OG1 3.47Å; F20-T23 PolarHBondContact O-N 3.35Å; F20-T23 VanDerWaalsContact O-N 3.13Å; F20-T23 PolarHBondContact O-OG1 3.03Å; F20-T24 PolarHBondContact O-N 3.2Å; F20-T24 PolarHBondContact O-OG1 3.28Å; F20-P81 HydrophobicContact CD1-CB 3.87Å; F20-P81 HydrophobicContact CD2-CB 4.09Å; F20-P81 HydrophobicContact CD2-CG 4.46Å; F20-P81 HydrophobicContact CE1-CB 3.87Å; F20-P81 HydrophobicContact CE2-CB 4.1Å; F20-P81 HydrophobicContact CG-CB 3.99Å; F20-P81 HydrophobicContact CG-CG 4.44Å; F20-P81 HydrophobicContact CZ-CB 3.99Å; F20-E84 VanDerWaalsContact CA-OE2 3.32Å; F20-E84 WeakPolarHBondContact CA-OE2 3.41Å; F20-R85 HydrophobicContact CE1-CB 4.22Å; F20-V209 HydrophobicContact CD1-CG2 4.2Å | ||
| 21 | L | 89.6 | Confident | 78.7 | Confident | 44 Ų | 44 | 49 Ų | 49 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -51.9 | -45.6 | -171.9 | -174.1 | 64.8 | 0 | 0 | 0 | 112.6 | F19 T23 T24 F25 E84 T89 F200 L203 A207 | F19-L21 HydrophobicContact CD1-CB 4.2Å; F19-L21 HydrophobicContact CD1-CD1 4.37Å; F19-L21 HydrophobicContact CE1-CD1 4.4Å; F19-L21 PolarHBondContact O-N 3.43Å; L21-T23 PolarHBondContact O-N 3.08Å; L21-T24 WeakPolarHBondContact CA-OG1 3.39Å; L21-T24 PolarHBondContact O-N 3.15Å; L21-T24 PolarHBondContact O-OG1 3.43Å; L21-F25 VanDerWaalsContact O-CB 3.25Å; L21-F25 WeakPolarHBondContact O-CB 3.36Å; L21-F25 PolarHBondContact O-N 2.92Å; L21-E84 PolarHBondContact N-OE1 3.37Å; L21-T89 HydrophobicContact CB-CG2 4.24Å; L21-F200 HydrophobicContact CD2-CE1 4.2Å; L21-L203 HydrophobicContact CD2-CD2 3.5Å; L21-A207 WeakPolarHBondContact CB-O 3.38Å |
| 22 | G | 89.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F20 F25 L26 E84 | F20-G22 VanDerWaalsContact C-N 3.28Å; F20-G22 PolarHBondContact O-N 2.9Å; G22-F25 PolarHBondContact O-N 3.09Å; G22-L26 VanDerWaalsContact O-CG 3.32Å; G22-L26 WeakPolarHBondContact O-CG 3.25Å; G22-L26 PolarHBondContact O-N 3.15Å; G22-E84 PolarHBondContact N-OE1 3Å; G22-E84 PolarHBondContact N-OE2 3.48Å |
| 23 | T | 91.9 | Very high | 82.4 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 176.2 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | F20 L21 F25 L26 L27 G80 P81 E84 F92 | F20-T23 VanDerWaalsContact CB-OG1 3.26Å; F20-T23 WeakPolarHBondContact CB-OG1 3.47Å; F20-T23 PolarHBondContact O-N 3.35Å; F20-T23 VanDerWaalsContact O-N 3.13Å; F20-T23 PolarHBondContact O-OG1 3.03Å; L21-T23 PolarHBondContact O-N 3.08Å; T23-F25 VanDerWaalsContact C-N 3.3Å; T23-F25 PolarHBondContact O-N 3.33Å; T23-L26 PolarHBondContact O-N 3.08Å; T23-L27 WeakPolarHBondContact O-CB 3.35Å; T23-L27 VanDerWaalsContact O-CG 3.3Å; T23-L27 WeakPolarHBondContact O-CG 3.4Å; T23-L27 PolarHBondContact O-N 3.42Å; T23-G80 VanDerWaalsContact CG2-CA 3.45Å; T23-P81 HydrophobicContact CG2-CG 4.29Å; T23-E84 HydrophobicContact CG2-CB 4.42Å; T23-E84 WeakPolarHBondContact CG2-OE2 3.47Å; T23-E84 PolarHBondContact N-OE2 2.82Å; T23-F92 HydrophobicContact CG2-CE1 3.86Å; T23-F92 HydrophobicContact CG2-CZ 3.98Å |
| 24 | T | 92.4 | Very high | 84.3 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 178.8 | 55 | 0 | 0 | 0 | 0 | 111.9 | F19 F20 L21 L27 T28 | F19-T24 HydrophobicContact CE1-CG2 3.99Å; F19-T24 WeakPolarHBondContact CE1-OG1 3.38Å; F19-T24 HydrophobicContact CZ-CG2 3.76Å; F20-T24 PolarHBondContact O-N 3.2Å; F20-T24 PolarHBondContact O-OG1 3.28Å; L21-T24 WeakPolarHBondContact CA-OG1 3.39Å; L21-T24 PolarHBondContact O-N 3.15Å; L21-T24 PolarHBondContact O-OG1 3.43Å; T24-L27 PolarHBondContact O-N 2.84Å; T24-T28 WeakPolarHBondContact O-CB 3.36Å; T24-T28 VanDerWaalsContact O-CG2 3.3Å; T24-T28 WeakPolarHBondContact O-CG2 3.38Å; T24-T28 PolarHBondContact O-N 2.84Å; T24-T28 PolarHBondContact O-OG1 2.84Å |
| 25 | F | 93.1 | Very high | 85.9 | Confident | 107 Ų | 107 | 58 Ų | 58 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 174.2 | 176.3 | -98.2 | 0 | 0 | 0 | 112.1 | L21 G22 T23 L27 T28 L29 L93 | L21-F25 VanDerWaalsContact O-CB 3.25Å; L21-F25 WeakPolarHBondContact O-CB 3.36Å; L21-F25 PolarHBondContact O-N 2.92Å; G22-F25 PolarHBondContact O-N 3.09Å; T23-F25 VanDerWaalsContact C-N 3.3Å; T23-F25 PolarHBondContact O-N 3.33Å; F25-L27 VanDerWaalsContact C-N 3.35Å; F25-L27 PolarHBondContact O-N 3.1Å; F25-T28 PolarHBondContact O-N 2.84Å; F25-T28 PolarHBondContact O-OG1 2.94Å; F25-L29 HydrophobicContact CE1-CD1 3.97Å; F25-L29 HydrophobicContact CE2-CD1 4.48Å; F25-L29 HydrophobicContact CZ-CD1 3.77Å; F25-L29 VanDerWaalsContact O-CB 3.25Å; F25-L29 WeakPolarHBondContact O-CB 3.42Å; F25-L29 PolarHBondContact O-N 2.91Å; F25-L93 HydrophobicContact CD1-CD2 4.1Å |
| 26 | L | 93.4 | Very high | 87.1 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 177.3 | -64.3 | 172.7 | 0 | 0 | 0 | 111.6 | G22 T23 M30 F61 L76 F92 L93 | G22-L26 VanDerWaalsContact O-CG 3.32Å; G22-L26 WeakPolarHBondContact O-CG 3.25Å; G22-L26 PolarHBondContact O-N 3.15Å; T23-L26 PolarHBondContact O-N 3.08Å; L26-M30 VanDerWaalsContact O-CB 3.29Å; L26-M30 WeakPolarHBondContact O-CB 3.19Å; L26-M30 PolarHBondContact O-N 3.01Å; L26-F61 HydrophobicContact CB-CE1 4.48Å; L26-F61 HydrophobicContact CD2-CE1 3.57Å; L26-F61 HydrophobicContact CD2-CZ 3.71Å; L26-L76 HydrophobicContact CB-CD2 3.81Å; L26-L76 HydrophobicContact CD1-CD1 4.48Å; L26-F92 HydrophobicContact CD1-CE1 3.61Å; L26-F92 HydrophobicContact CD1-CZ 3.69Å; L26-L93 HydrophobicContact CD1-CD2 4.15Å; L26-L93 HydrophobicContact CD2-CD2 4.08Å; L26-L93 HydrophobicContact CG-CD2 3.93Å |
| 27 | L | 93.8 | Very high | 87.8 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 175.1 | -75.4 | 165.1 | 0 | 0 | 0 | 112.7 | T23 T24 F25 M30 G31 A73 L76 L77 | T23-L27 WeakPolarHBondContact O-CB 3.35Å; T23-L27 VanDerWaalsContact O-CG 3.3Å; T23-L27 WeakPolarHBondContact O-CG 3.4Å; T23-L27 PolarHBondContact O-N 3.42Å; T24-L27 PolarHBondContact O-N 2.84Å; F25-L27 VanDerWaalsContact C-N 3.35Å; F25-L27 PolarHBondContact O-N 3.1Å; L27-M30 HydrophobicContact CD2-CE 4.4Å; L27-M30 PolarHBondContact O-N 2.96Å; L27-G31 PolarHBondContact O-N 2.82Å; L27-A73 HydrophobicContact CD2-CB 4.17Å; L27-L76 HydrophobicContact CD2-CB 4.19Å; L27-L76 HydrophobicContact CD2-CD2 3.75Å; L27-L76 HydrophobicContact CD2-CG 4.05Å; L27-L76 HydrophobicContact CG-CD2 3.67Å; L27-L76 HydrophobicContact CG-CG 3.98Å; L27-L77 HydrophobicContact CD1-CD2 3.54Å; L27-L77 HydrophobicContact CD1-CG 3.84Å; L27-L77 HydrophobicContact CD2-CG 4.28Å |
| 28 | T | 93 | Very high | 88.5 | Confident | 93 Ų | 93 | 54.7 Ų | 54.7 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.6 | -37 | 178.7 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | T24 F25 G31 L32 | T24-T28 WeakPolarHBondContact O-CB 3.36Å; T24-T28 VanDerWaalsContact O-CG2 3.3Å; T24-T28 WeakPolarHBondContact O-CG2 3.38Å; T24-T28 PolarHBondContact O-N 2.84Å; T24-T28 PolarHBondContact O-OG1 2.84Å; F25-T28 PolarHBondContact O-N 2.84Å; F25-T28 PolarHBondContact O-OG1 2.94Å; T28-G31 PolarHBondContact O-N 3.49Å; T28-L32 WeakPolarHBondContact O-CB 3.48Å; T28-L32 PolarHBondContact O-N 3.4Å |
| 29 | L | 92 | Very high | 88.6 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176 | -159.4 | 159.1 | 0 | 0 | 0 | 111.1 | F25 L32 M33 F61 | F25-L29 HydrophobicContact CE1-CD1 3.97Å; F25-L29 HydrophobicContact CE2-CD1 4.48Å; F25-L29 HydrophobicContact CZ-CD1 3.77Å; F25-L29 VanDerWaalsContact O-CB 3.25Å; F25-L29 WeakPolarHBondContact O-CB 3.42Å; F25-L29 PolarHBondContact O-N 2.91Å; L29-L32 PolarHBondContact O-N 3.19Å; L29-M33 HydrophobicContact CD2-CG 3.97Å; L29-M33 WeakPolarHBondContact O-CB 3.45Å; L29-M33 VanDerWaalsContact O-CG 3.32Å; L29-M33 WeakPolarHBondContact O-CG 3.43Å; L29-M33 PolarHBondContact O-N 3.12Å; L29-F61 HydrophobicContact CD2-CB 3.67Å; L29-F61 HydrophobicContact CD2-CD1 3.78Å; L29-F61 HydrophobicContact CD2-CD2 3.72Å; L29-F61 HydrophobicContact CD2-CE1 4.32Å; L29-F61 HydrophobicContact CD2-CE2 4.26Å; L29-F61 HydrophobicContact CD2-CG 3.44Å; L29-F61 VanDerWaalsContact CD2-CG 3.44Å |
| 30 | M | 91.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 174.6 | -168.1 | 179.5 | 76.5 | 0 | 0 | 112.3 | L26 L27 W34 F61 L69 N72 A73 | L26-M30 VanDerWaalsContact O-CB 3.29Å; L26-M30 WeakPolarHBondContact O-CB 3.19Å; L26-M30 PolarHBondContact O-N 3.01Å; L27-M30 HydrophobicContact CD2-CE 4.4Å; L27-M30 PolarHBondContact O-N 2.96Å; M30-W34 PolarHBondContact O-N 3.17Å; M30-W34 VanDerWaalsContact O-N 3.16Å; M30-F61 HydrophobicContact CB-CD1 4.42Å; M30-L69 HydrophobicContact CE-CD1 3.87Å; M30-L69 HydrophobicContact CG-CD1 3.71Å; M30-L69 HydrophobicContact SD-CD1 4.19Å; M30-N72 HydrophobicContact SD-CB 4.19Å; M30-A73 HydrophobicContact CE-CB 3.69Å |
| 31 | G | 90.9 | Very high | 88.4 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L27 T28 W34 L35 | L27-G31 PolarHBondContact O-N 2.82Å; T28-G31 PolarHBondContact O-N 3.49Å; G31-W34 PolarHBondContact O-N 3.46Å; G31-L35 WeakPolarHBondContact O-CB 3.41Å; G31-L35 VanDerWaalsContact O-CG 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.38Å; G31-L35 PolarHBondContact O-N 3.24Å |
| 32 | L | 91.6 | Very high | 87.9 | Confident | 123 Ų | 123 | 51.6 Ų | 51.6 | 64% | 0.644 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -70.2 | -37.9 | 177.4 | -174.6 | 66.8 | 0 | 0 | 0 | 112 | T28 L29 W34 G36 | T28-L32 WeakPolarHBondContact O-CB 3.48Å; T28-L32 PolarHBondContact O-N 3.4Å; L29-L32 PolarHBondContact O-N 3.19Å; L32-W34 VanDerWaalsContact C-N 3.35Å; L32-G36 PolarHBondContact O-N 2.66Å |
| 33 | M | 90.9 | Very high | 87.4 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 173.2 | -77.2 | -67.1 | -63.4 | 0 | 0 | 112 | L29 G37 I38 A40 L58 F61 | L29-M33 HydrophobicContact CD2-CG 3.97Å; L29-M33 WeakPolarHBondContact O-CB 3.45Å; L29-M33 VanDerWaalsContact O-CG 3.32Å; L29-M33 WeakPolarHBondContact O-CG 3.43Å; L29-M33 PolarHBondContact O-N 3.12Å; M33-G37 PolarHBondContact O-N 2.9Å; M33-I38 HydrophobicContact CE-CB 3.85Å; M33-I38 HydrophobicContact CE-CG2 3.88Å; M33-I38 PolarHBondContact O-N 3.48Å; M33-I38 HydrophobicContact SD-CB 4.27Å; M33-I38 HydrophobicContact SD-CD1 4.31Å; M33-A40 HydrophobicContact CE-CB 4.26Å; M33-L58 HydrophobicContact CE-CB 4.04Å; M33-L58 HydrophobicContact CE-CD1 4.18Å; M33-L58 HydrophobicContact CE-CD2 4.48Å; M33-L58 HydrophobicContact CE-CG 4.47Å; M33-L58 HydrophobicContact SD-CD1 4.28Å; M33-L58 HydrophobicContact SD-CD2 4.13Å; M33-F61 HydrophobicContact CG-CB 4Å |
| 34 | W | 90.1 | Very high | 86.9 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.7 | -51.3 | 173.9 | 178.1 | -96.7 | 0 | 0 | 0 | 112.2 | M30 G31 L32 G36 G37 H63 L66 L69 | M30-W34 PolarHBondContact O-N 3.17Å; M30-W34 VanDerWaalsContact O-N 3.16Å; G31-W34 PolarHBondContact O-N 3.46Å; L32-W34 VanDerWaalsContact C-N 3.35Å; W34-G36 VanDerWaalsContact C-N 3.32Å; W34-G36 PolarHBondContact O-N 3.41Å; W34-G37 PolarHBondContact O-N 2.87Å; W34-H63 HydrophobicContact CE3-CB 4.28Å; W34-H63 VanDerWaalsContact CE3-O 3.29Å; W34-H63 VanDerWaalsContact CZ3-O 3.26Å; W34-H63 WeakPolarHBondContact CZ3-O 3.29Å; W34-L66 HydrophobicContact CH2-CB 4.12Å; W34-L66 HydrophobicContact CZ2-CB 4.09Å; W34-L66 HydrophobicContact CZ2-CD1 4.01Å; W34-L69 HydrophobicContact CB-CD1 4.28Å; W34-L69 HydrophobicContact CB-CD2 4.04Å; W34-L69 HydrophobicContact CD2-CD2 3.64Å; W34-L69 HydrophobicContact CE3-CD2 4.17Å; W34-L69 HydrophobicContact CG-CD2 3.55Å |
| 35 | L | 90.4 | Very high | 86.1 | Confident | 148 Ų | 148 | 53.6 Ų | 53.6 | 78% | 0.775 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.2 | -34.2 | 179.4 | -73.4 | 170.2 | 0 | 0 | 0 | 113.2 | G31 G37 | G31-L35 WeakPolarHBondContact O-CB 3.41Å; G31-L35 VanDerWaalsContact O-CG 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.38Å; G31-L35 PolarHBondContact O-N 3.24Å; L35-G37 PolarHBondContact O-N 3.08Å |
| 36 | G | 86.1 | Confident | 84.8 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -6.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L32 W34 I38 | L32-G36 PolarHBondContact O-N 2.66Å; W34-G36 VanDerWaalsContact C-N 3.32Å; W34-G36 PolarHBondContact O-N 3.41Å; G36-I38 VanDerWaalsContact C-N 3.3Å; G36-I38 WeakPolarHBondContact O-CG1 3.49Å; G36-I38 PolarHBondContact O-N 2.85Å |
| 37 | G | 81.7 | Confident | 83.7 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M33 W34 L35 P39 | M33-G37 PolarHBondContact O-N 2.9Å; W34-G37 PolarHBondContact O-N 2.87Å; L35-G37 PolarHBondContact O-N 3.08Å; G37-P39 WeakPolarHBondContact O-CD 3.44Å |
| 38 | I | 78.1 | Confident | 82.3 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 34% | 0.344 | 37% | 0.369 | S | S | . | . | trans | -95.3 | 99.4 | -174.7 | -55.1 | -179.3 | 0 | 0 | 0 | 110.1 | M33 G36 A40 | M33-I38 HydrophobicContact CE-CB 3.85Å; M33-I38 HydrophobicContact CE-CG2 3.88Å; M33-I38 PolarHBondContact O-N 3.48Å; M33-I38 HydrophobicContact SD-CB 4.27Å; M33-I38 HydrophobicContact SD-CD1 4.31Å; G36-I38 VanDerWaalsContact C-N 3.3Å; G36-I38 WeakPolarHBondContact O-CG1 3.49Å; G36-I38 PolarHBondContact O-N 2.85Å; I38-A40 PolarHBondContact O-N 3.38Å; I38-A40 VanDerWaalsContact O-N 3.14Å | ||
| 39 | P | 74.6 | Confident | 81.3 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 74% | 0.74 | 38% | 0.379 | S | S | * | . | trans | -72 | 108.7 | 174.9 | 30.1 | -35.4 | 0 | 0 | 0 | 110.2 | G37 | G37-P39 WeakPolarHBondContact O-CD 3.44Š| ||
| 40 | A | 79.8 | Confident | 80 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.033 | 41% | 0.411 | C | S | . | . | trans | -118.5 | 99 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | M33 I38 L58 Y59 S62 | M33-A40 HydrophobicContact CE-CB 4.26Å; I38-A40 PolarHBondContact O-N 3.38Å; I38-A40 VanDerWaalsContact O-N 3.14Å; A40-L58 HydrophobicContact CB-CB 3.77Å; A40-Y59 WeakPolarHBondContact O-CA 3.46Å; A40-S62 VanDerWaalsContact O-CB 3.29Å; A40-S62 WeakPolarHBondContact O-CB 3.26Å; A40-S62 PolarHBondContact O-OG 2.92Å | ||
| 41 | S | 82.1 | Confident | 79 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 27% | 0.266 | 43% | 0.427 | S | S | . | . | trans | -127.4 | 131.6 | -179.9 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | R120 | S41-R120 PolarHBondContact OG-NE 2.87Å; S41-R120 PolarHBondContact OG-NH2 2.83Å | ||
| 42 | L | 79.4 | Confident | 78.3 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.4 | 177.9 | -61.4 | 175.9 | 0 | 0 | 0 | 110.1 | L44 P51 D55 L56 Y59 P104 R120 V121 | L42-L44 HydrophobicContact CB-CD1 4.17Å; L42-L44 HydrophobicContact CB-CD2 4.25Å; L42-L44 HydrophobicContact CB-CG 3.94Å; L42-L44 HydrophobicContact CD1-CD1 4.29Å; L42-P51 HydrophobicContact CD2-CB 3.36Å; L42-P51 HydrophobicContact CD2-CG 4.05Å; L42-D55 HydrophobicContact CD2-CB 3.95Å; L42-L56 HydrophobicContact CD1-CD1 4.4Å; L42-Y59 HydrophobicContact CD1-CD1 3.4Å; L42-Y59 HydrophobicContact CD1-CD2 3.96Å; L42-Y59 HydrophobicContact CD1-CE1 3.8Å; L42-Y59 HydrophobicContact CD1-CE2 4.34Å; L42-Y59 HydrophobicContact CD1-CG 3.48Å; L42-Y59 VanDerWaalsContact CD1-CG 3.48Å; L42-Y59 HydrophobicContact CG-CD1 4.02Å; L42-Y59 HydrophobicContact CG-CD2 4.38Å; L42-Y59 HydrophobicContact CG-CG 3.75Å; L42-P104 HydrophobicContact CD1-CB 3.71Å; L42-P104 HydrophobicContact CD1-CG 3.43Å; L42-P104 VanDerWaalsContact CD1-CG 3.43Å; L42-R120 CarbonylContact O-C 3.59Å; L42-R120 WeakPolarHBondContact O-CA 3.35Å; L42-V121 HydrophobicContact CB-CB 4.43Å; L42-V121 PolarHBondContact N-O 3Å; L42-V121 PolarHBondContact O-N 2.94Å |
| 43 | S | 79.7 | Confident | 77.6 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.5 | 159 | 43.6 | 0 | 0 | 0 | 0 | 108.7 | S119 | S43-S119 WeakPolarHBondContact CA-O 3.35Å |
| 44 | L | 80.6 | Confident | 77.1 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 6% | 0.058 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.5 | -174.6 | -61.5 | 171.8 | 0 | 0 | 0 | 109.2 | L42 P104 Y107 L111 A118 S119 V121 | L42-L44 HydrophobicContact CB-CD1 4.17Å; L42-L44 HydrophobicContact CB-CD2 4.25Å; L42-L44 HydrophobicContact CB-CG 3.94Å; L42-L44 HydrophobicContact CD1-CD1 4.29Å; L44-P104 HydrophobicContact CD1-CB 3.9Å; L44-P104 HydrophobicContact CD2-CB 4.25Å; L44-Y107 HydrophobicContact CD1-CD1 3.96Å; L44-L111 HydrophobicContact CB-CD1 4.18Å; L44-L111 WeakPolarHBondContact O-CD1 3.44Å; L44-A118 CarbonylContact O-C 3.48Å; L44-A118 WeakPolarHBondContact O-CA 3.47Å; L44-S119 PolarHBondContact N-O 3.18Å; L44-S119 PolarHBondContact O-N 3.25Å; L44-S119 PolarHBondContact O-OG 3.08Å; L44-V121 HydrophobicContact CD1-CB 4.35Å; L44-V121 HydrophobicContact CD1-CG2 4.12Å |
| 45 | G | 74.8 | Confident | 76.7 | Confident | 23 Ų | 23 | 74.4 Ų | 74.4 | 24% | 0.237 | 46% | 0.458 | C | S | . | . | S | Bend | trans | 141.1 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G47 G48 | G45-G47 PolarHBondContact O-N 2.93Å; G45-G48 PolarHBondContact O-N 3.09Å |
| 46 | P | 66.9 | Low | 76.3 | Confident | 68 Ų | 68 | 70 Ų | 70 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 128.3 | 179.4 | 26.7 | -33.7 | 0 | 0 | 0 | 110.9 | G48 D116 | P46-G48 VanDerWaalsContact C-N 3.26Å; P46-G48 PolarHBondContact O-N 2.87Å; P46-D116 VanDerWaalsContact CD-O 3.23Å; P46-D116 WeakPolarHBondContact CD-O 3.4Å; P46-D116 WeakPolarHBondContact CG-O 3.36Å |
| 47 | G | 69.1 | Low | 76 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 90% | 0.897 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -4.6 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | G45 | G45-G47 PolarHBondContact O-N 2.93Š|
| 48 | G | 65.4 | Low | 76.3 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 148.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G45 P46 | G45-G48 PolarHBondContact O-N 3.09Å; P46-G48 VanDerWaalsContact C-N 3.26Å; P46-G48 PolarHBondContact O-N 2.87Å |
| 49 | Q | 71.3 | Confident | 76.8 | Confident | 168 Ų | 168 | 66 Ų | 66 | 79% | 0.785 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -83 | 133.6 | 178.2 | -162.4 | 164.8 | 21.9 | 0 | 0 | 110 | ||
| 50 | Y | 66.2 | Low | 77.4 | Confident | 231 Ų | 231 | 60.6 Ų | 60.6 | 91% | 0.906 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -57 | 123.1 | -176.9 | -69.6 | -78.6 | 0 | 0 | 0 | 111.5 | ||
| 51 | P | 70.3 | Confident | 77.9 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 144.5 | -176 | 29.3 | -35.3 | 0 | 0 | 0 | 112 | L42 | L42-P51 HydrophobicContact CD2-CB 3.36Å; L42-P51 HydrophobicContact CD2-CG 4.05Å |
| 52 | G | 76.4 | Confident | 78.1 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 156.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | R54 D55 L56 | G52-R54 PolarHBondContact O-N 3.24Å; G52-R54 VanDerWaalsContact O-N 3.12Å; G52-D55 VanDerWaalsContact CA-OD2 3.31Å; G52-D55 WeakPolarHBondContact CA-OD2 3.4Å; G52-D55 PolarHBondContact N-OD2 3.28Å; G52-D55 PolarHBondContact O-N 3.17Å; G52-L56 PolarHBondContact O-N 3.04Å |
| 53 | C | 75.1 | Confident | 78.5 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 78% | 0.777 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.1 | -27.4 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | S57 | C53-S57 PolarHBondContact O-N 3Å; C53-S57 PolarHBondContact O-OG 3.11Å |
| 54 | R | 81.2 | Confident | 78.8 | Confident | 154 Ų | 154 | 61.9 Ų | 61.9 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.7 | -46.1 | 171.7 | 179.6 | -179.7 | 178.1 | -153 | -1.4 | 111.5 | G52 S57 L58 | G52-R54 PolarHBondContact O-N 3.24Å; G52-R54 VanDerWaalsContact O-N 3.12Å; R54-S57 PolarHBondContact O-N 2.97Å; R54-S57 PolarHBondContact O-OG 3.26Å; R54-L58 HydrophobicContact CG-CD1 3.64Å; R54-L58 HydrophobicContact CG-CG 4.23Å; R54-L58 WeakPolarHBondContact O-CB 3.17Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.22Å |
| 55 | D | 81.4 | Confident | 79.1 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.3 | -40.1 | -176.3 | -43.3 | -53.9 | 0 | 0 | 0 | 110 | L42 G52 S57 L58 Y59 | L42-D55 HydrophobicContact CD2-CB 3.95Å; G52-D55 VanDerWaalsContact CA-OD2 3.31Å; G52-D55 WeakPolarHBondContact CA-OD2 3.4Å; G52-D55 PolarHBondContact N-OD2 3.28Å; G52-D55 PolarHBondContact O-N 3.17Å; D55-S57 PolarHBondContact O-N 3.48Å; D55-S57 VanDerWaalsContact O-N 3.14Å; D55-L58 PolarHBondContact O-N 3.38Å; D55-Y59 WeakPolarHBondContact O-CB 3.43Å; D55-Y59 PolarHBondContact O-N 2.92Å |
| 56 | L | 82.6 | Confident | 79.8 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.2 | -24.7 | 174 | -164.2 | 76.6 | 0 | 0 | 0 | 113.4 | L42 G52 Y59 P104 | L42-L56 HydrophobicContact CD1-CD1 4.4Å; G52-L56 PolarHBondContact O-N 3.04Å; L56-Y59 WeakPolarHBondContact O-CD1 3.36Å; L56-Y59 VanDerWaalsContact O-CE1 3.32Å; L56-Y59 WeakPolarHBondContact O-CE1 3.31Å; L56-P104 HydrophobicContact CD1-CB 3.7Å; L56-P104 HydrophobicContact CD1-CG 3.8Å |
| 57 | S | 79.9 | Confident | 80.9 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -100.5 | -32.3 | 177.2 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | C53 R54 D55 F61 | C53-S57 PolarHBondContact O-N 3Å; C53-S57 PolarHBondContact O-OG 3.11Å; R54-S57 PolarHBondContact O-N 2.97Å; R54-S57 PolarHBondContact O-OG 3.26Å; D55-S57 PolarHBondContact O-N 3.48Å; D55-S57 VanDerWaalsContact O-N 3.14Å; S57-F61 WeakPolarHBondContact O-CD2 3.25Å; S57-F61 WeakPolarHBondContact O-CE2 3.35Å |
| 58 | L | 86.7 | Confident | 81.8 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.183 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -87.7 | -20.6 | -177.7 | -66.5 | -175.8 | 0 | 0 | 0 | 114.8 | M33 A40 R54 D55 A60 F61 S62 | M33-L58 HydrophobicContact CE-CB 4.04Å; M33-L58 HydrophobicContact CE-CD1 4.18Å; M33-L58 HydrophobicContact CE-CD2 4.48Å; M33-L58 HydrophobicContact CE-CG 4.47Å; M33-L58 HydrophobicContact SD-CD1 4.28Å; M33-L58 HydrophobicContact SD-CD2 4.13Å; A40-L58 HydrophobicContact CB-CB 3.77Å; R54-L58 HydrophobicContact CG-CD1 3.64Å; R54-L58 HydrophobicContact CG-CG 4.23Å; R54-L58 WeakPolarHBondContact O-CB 3.17Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.22Å; D55-L58 PolarHBondContact O-N 3.38Å; L58-A60 PolarHBondContact O-N 2.91Å; L58-A60 VanDerWaalsContact O-N 3.17Å; L58-F61 PolarHBondContact O-N 3.39Å; L58-S62 PolarHBondContact O-N 3.48Å; L58-S62 VanDerWaalsContact O-N 3.15Å |
| 59 | Y | 88.8 | Confident | 83.1 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -30.3 | -175.8 | 85.9 | -81.9 | 0 | 0 | 0 | 114.2 | A40 L42 D55 L56 F61 S62 I100 P104 V121 C122 G123 | A40-Y59 WeakPolarHBondContact O-CA 3.46Å; L42-Y59 HydrophobicContact CD1-CD1 3.4Å; L42-Y59 HydrophobicContact CD1-CD2 3.96Å; L42-Y59 HydrophobicContact CD1-CE1 3.8Å; L42-Y59 HydrophobicContact CD1-CE2 4.34Å; L42-Y59 HydrophobicContact CD1-CG 3.48Å; L42-Y59 VanDerWaalsContact CD1-CG 3.48Å; L42-Y59 HydrophobicContact CG-CD1 4.02Å; L42-Y59 HydrophobicContact CG-CD2 4.38Å; L42-Y59 HydrophobicContact CG-CG 3.75Å; D55-Y59 WeakPolarHBondContact O-CB 3.43Å; D55-Y59 PolarHBondContact O-N 2.92Å; L56-Y59 WeakPolarHBondContact O-CD1 3.36Å; L56-Y59 VanDerWaalsContact O-CE1 3.32Å; L56-Y59 WeakPolarHBondContact O-CE1 3.31Å; Y59-F61 PolarHBondContact O-N 3.43Å; Y59-S62 PolarHBondContact O-OG 3.49Å; Y59-I100 HydrophobicContact CD1-CG2 4.42Å; Y59-I100 HydrophobicContact CE1-CG2 3.7Å; Y59-I100 PolarHBondContact OH-O 3.1Å; Y59-I100 VanDerWaalsContact OH-O 3.12Å; Y59-P104 HydrophobicContact CD1-CG 4.38Å; Y59-P104 HydrophobicContact CE1-CG 3.56Å; Y59-P104 WeakPolarHBondContact OH-CD 3.32Å; Y59-V121 HydrophobicContact CD2-CG1 3.81Å; Y59-V121 HydrophobicContact CE2-CG1 3.77Å; Y59-C122 CarbonylContact O-C 3.36Å; Y59-G123 PolarHBondContact O-N 2.83Å |
| 60 | A | 88.6 | Confident | 84 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L58 I100 G123 S124 | L58-A60 PolarHBondContact O-N 2.91Å; L58-A60 VanDerWaalsContact O-N 3.17Å; A60-I100 HydrophobicContact CB-CB 4.4Å; A60-I100 HydrophobicContact CB-CD1 3.78Å; A60-I100 HydrophobicContact CB-CG1 3.61Å; A60-I100 HydrophobicContact CB-CG2 3.96Å; A60-G123 CarbonylContact O-C 3.38Å; A60-S124 VanDerWaalsContact O-CA 3.26Å; A60-S124 WeakPolarHBondContact O-CA 3.23Å; A60-S124 WeakPolarHBondContact O-CB 3.5Å; A60-S124 PolarHBondContact O-N 3.25Å |
| 61 | F | 88.7 | Confident | 85.3 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -14.4 | -179.1 | -57.2 | -74.6 | 0 | 0 | 0 | 113.1 | L26 L29 M30 M33 S57 L58 Y59 I100 | L26-F61 HydrophobicContact CB-CE1 4.48Å; L26-F61 HydrophobicContact CD2-CE1 3.57Å; L26-F61 HydrophobicContact CD2-CZ 3.71Å; L29-F61 HydrophobicContact CD2-CB 3.67Å; L29-F61 HydrophobicContact CD2-CD1 3.78Å; L29-F61 HydrophobicContact CD2-CD2 3.72Å; L29-F61 HydrophobicContact CD2-CE1 4.32Å; L29-F61 HydrophobicContact CD2-CE2 4.26Å; L29-F61 HydrophobicContact CD2-CG 3.44Å; L29-F61 VanDerWaalsContact CD2-CG 3.44Å; M30-F61 HydrophobicContact CB-CD1 4.42Å; M33-F61 HydrophobicContact CG-CB 4Å; S57-F61 WeakPolarHBondContact O-CD2 3.25Å; S57-F61 WeakPolarHBondContact O-CE2 3.35Å; L58-F61 PolarHBondContact O-N 3.39Å; Y59-F61 PolarHBondContact O-N 3.43Å; F61-I100 HydrophobicContact CE2-CD1 3.84Å; F61-I100 HydrophobicContact CZ-CD1 3.72Å |
| 62 | S | 87.4 | Confident | 86.3 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | trans | -75.2 | 144.2 | 168.3 | 70.6 | 0 | 0 | 0 | 0 | 110.3 | A40 L58 Y59 G123 | A40-S62 VanDerWaalsContact O-CB 3.29Å; A40-S62 WeakPolarHBondContact O-CB 3.26Å; A40-S62 PolarHBondContact O-OG 2.92Å; L58-S62 PolarHBondContact O-N 3.48Å; L58-S62 VanDerWaalsContact O-N 3.15Å; Y59-S62 PolarHBondContact O-OG 3.49Å; S62-G123 VanDerWaalsContact O-CA 3.23Å; S62-G123 WeakPolarHBondContact O-CA 3.41Å; S62-G123 PolarHBondContact O-N 2.92Å; S62-G123 VanDerWaalsContact O-N 3.09Å | ||
| 63 | H | 87.4 | Confident | 87 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | trans | -138.7 | 137.7 | 171.1 | -78.1 | -82.6 | 0 | 0 | 0 | 107.3 | W34 S68 L69 N72 G123 | W34-H63 HydrophobicContact CE3-CB 4.28Å; W34-H63 VanDerWaalsContact CE3-O 3.29Å; W34-H63 VanDerWaalsContact CZ3-O 3.26Å; W34-H63 WeakPolarHBondContact CZ3-O 3.29Å; H63-S68 PolarHBondContact ND1-OG 3.47Å; H63-L69 HydrophobicContact CB-CB 3.93Å; H63-L69 HydrophobicContact CB-CD1 4.03Å; H63-N72 PolarHBondContact CE1-ND2 3.33Å; H63-N72 VanDerWaalsContact CE1-ND2 3.26Å; H63-G123 WeakPolarHBondContact CE1-CA 3.18Å | ||
| 64 | E | 85.7 | Confident | 87.8 | Confident | 89 Ų | 89 | 49.2 Ų | 49.2 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -96.6 | -26.8 | -178.9 | -58.5 | -171.4 | -130.1 | 0 | 0 | 111.5 | R120 C122 | E64-R120 VanDerWaalsContact CD-CZ 3.48Å; E64-R120 VanDerWaalsContact CD-NH1 3.32Å; E64-R120 IonicContact OE1-CZ 3.09Å; E64-R120 IonicContact OE1-NE 3.78Å; E64-R120 IonicContact OE1-NH1 3.19Å; E64-R120 PolarHBondContact OE1-NH1 3.15Å; E64-R120 IonicContact OE1-NH2 2.68Å; E64-R120 PolarHBondContact OE1-NH2 2.87Å; E64-R120 IonicContact OE2-CZ 3.12Å; E64-R120 IonicContact OE2-NH1 2.67Å; E64-R120 PolarHBondContact OE2-NH1 3.02Å; E64-R120 IonicContact OE2-NH2 2.73Å; E64-R120 PolarHBondContact OE2-NH2 3.48Å; E64-C122 PolarHBondContact OE1-SG 3.28Å |
| 65 | E | 87.4 | Confident | 88.3 | Confident | 87 Ų | 87 | 42.8 Ų | 42.8 | 41% | 0.407 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -116.2 | 131.2 | -179.4 | -60.5 | 173.1 | -138.8 | 0 | 0 | 110.9 | P67 S68 L69 S167 | E65-P67 HydrophobicContact CB-CG 4.02Å; E65-S68 WeakPolarHBondContact O-CA 3.38Å; E65-S68 WeakPolarHBondContact O-CB 3.24Å; E65-S68 PolarHBondContact O-N 3.45Å; E65-S68 PolarHBondContact O-OG 2.84Å; E65-L69 PolarHBondContact O-N 3.31Å; E65-S167 PolarHBondContact OE1-OG 3.45Å |
| 66 | L | 89.3 | Confident | 88.8 | Confident | 105 Ų | 105 | 40.7 Ų | 40.7 | 55% | 0.55 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.2 | -43.2 | 172 | -175.9 | 64.5 | 0 | 0 | 0 | 114.3 | W34 S68 L69 L70 | W34-L66 HydrophobicContact CH2-CB 4.12Å; W34-L66 HydrophobicContact CZ2-CB 4.09Å; W34-L66 HydrophobicContact CZ2-CD1 4.01Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-S68 PolarHBondContact O-N 3.02Å; L66-L69 HydrophobicContact CD1-CD2 4.23Å; L66-L69 PolarHBondContact O-N 2.87Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 PolarHBondContact O-N 3.33Å |
| 67 | P | 89.8 | Confident | 89.3 | Confident | 88 Ų | 88 | 42.6 Ų | 42.6 | 57% | 0.571 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.5 | -37 | 173.5 | 22.5 | -34.6 | 0 | 0 | 0 | 112.9 | E65 L70 Y71 | E65-P67 HydrophobicContact CB-CG 4.02Å; P67-L70 PolarHBondContact O-N 3.11Å; P67-Y71 WeakPolarHBondContact O-CB 3.35Å; P67-Y71 PolarHBondContact O-N 3.07Å |
| 68 | S | 88.9 | Confident | 89.7 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.6 | 84.2 | 0 | 0 | 0 | 0 | 111.7 | H63 E65 L66 N72 | H63-S68 PolarHBondContact ND1-OG 3.47Å; E65-S68 WeakPolarHBondContact O-CA 3.38Å; E65-S68 WeakPolarHBondContact O-CB 3.24Å; E65-S68 PolarHBondContact O-N 3.45Å; E65-S68 PolarHBondContact O-OG 2.84Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-S68 PolarHBondContact O-N 3.02Å; S68-N72 WeakPolarHBondContact O-CB 3.28Å; S68-N72 PolarHBondContact O-N 3.42Å; S68-N72 VanDerWaalsContact O-N 3.11Å; S68-N72 PolarHBondContact O-ND2 2.93Å |
| 69 | L | 91.3 | Very high | 89.8 | Confident | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 175.7 | -179.7 | 76.1 | 0 | 0 | 0 | 110.6 | M30 W34 H63 E65 L66 N72 A73 | M30-L69 HydrophobicContact CE-CD1 3.87Å; M30-L69 HydrophobicContact CG-CD1 3.71Å; M30-L69 HydrophobicContact SD-CD1 4.19Å; W34-L69 HydrophobicContact CB-CD1 4.28Å; W34-L69 HydrophobicContact CB-CD2 4.04Å; W34-L69 HydrophobicContact CD2-CD2 3.64Å; W34-L69 HydrophobicContact CE3-CD2 4.17Å; W34-L69 HydrophobicContact CG-CD2 3.55Å; H63-L69 HydrophobicContact CB-CB 3.93Å; H63-L69 HydrophobicContact CB-CD1 4.03Å; E65-L69 PolarHBondContact O-N 3.31Å; L66-L69 HydrophobicContact CD1-CD2 4.23Å; L66-L69 PolarHBondContact O-N 2.87Å; L69-N72 PolarHBondContact O-N 2.87Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 2.99Å |
| 70 | L | 92.1 | Very high | 89.9 | Confident | 101 Ų | 101 | 43.9 Ų | 43.9 | 53% | 0.529 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | -178.1 | -177 | 61.4 | 0 | 0 | 0 | 111.8 | L66 P67 A73 I74 | L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 PolarHBondContact O-N 3.33Å; P67-L70 PolarHBondContact O-N 3.11Å; L70-A73 PolarHBondContact O-N 3.03Å; L70-I74 HydrophobicContact CD1-CD1 3.95Å; L70-I74 HydrophobicContact CD1-CG1 4.27Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 WeakPolarHBondContact O-CB 3.35Å; L70-I74 VanDerWaalsContact O-CG1 3.26Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 2.69Å |
| 71 | Y | 91.6 | Very high | 89.9 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 13% | 0.129 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 174 | 176.1 | -102.9 | 0 | 0 | 0 | 111.5 | P67 A73 I74 L75 L160 N161 L164 L165 | P67-Y71 WeakPolarHBondContact O-CB 3.35Å; P67-Y71 PolarHBondContact O-N 3.07Å; Y71-A73 VanDerWaalsContact C-N 3.34Å; Y71-A73 PolarHBondContact O-N 2.76Å; Y71-I74 PolarHBondContact O-N 3.49Å; Y71-L75 HydrophobicContact CE1-CD2 3.97Å; Y71-L75 VanDerWaalsContact O-CB 3.28Å; Y71-L75 WeakPolarHBondContact O-CB 3.27Å; Y71-L75 PolarHBondContact O-N 3.35Å; Y71-L160 HydrophobicContact CE2-CD2 4.38Å; Y71-N161 WeakPolarHBondContact CE1-OD1 3.43Å; Y71-N161 PolarHBondContact OH-OD1 3.26Å; Y71-L164 HydrophobicContact CD2-CD2 3.68Å; Y71-L164 HydrophobicContact CE2-CD2 3.57Å; Y71-L165 HydrophobicContact CD1-CD1 3.51Å; Y71-L165 HydrophobicContact CD1-CD2 4.34Å; Y71-L165 HydrophobicContact CD1-CG 4.5Å; Y71-L165 HydrophobicContact CE1-CD1 3.52Å; Y71-L165 HydrophobicContact CG-CD1 4.14Å |
| 72 | N | 91.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.8 | -30.7 | -179.2 | -76.5 | -75.4 | 0 | 0 | 0 | 112.8 | M30 H63 S68 L69 L76 S125 Q128 | M30-N72 HydrophobicContact SD-CB 4.19Å; H63-N72 PolarHBondContact CE1-ND2 3.33Å; H63-N72 VanDerWaalsContact CE1-ND2 3.26Å; S68-N72 WeakPolarHBondContact O-CB 3.28Å; S68-N72 PolarHBondContact O-N 3.42Å; S68-N72 VanDerWaalsContact O-N 3.11Å; S68-N72 PolarHBondContact O-ND2 2.93Å; L69-N72 PolarHBondContact O-N 2.87Å; N72-L76 WeakPolarHBondContact O-CB 3.16Å; N72-L76 PolarHBondContact O-N 3.04Å; N72-S125 WeakPolarHBondContact OD1-CA 3.26Å; N72-S125 VanDerWaalsContact OD1-CB 3.27Å; N72-S125 WeakPolarHBondContact OD1-CB 3.47Å; N72-S125 PolarHBondContact OD1-N 2.83Å; N72-Q128 PolarHBondContact O-NE2 3.25Å; N72-Q128 PolarHBondContact O-OE1 3.45Å; N72-Q128 PolarHBondContact OD1-NE2 3.06Å |
| 73 | A | 92.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -46.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L27 M30 L69 L70 Y71 L76 L77 | L27-A73 HydrophobicContact CD2-CB 4.17Å; M30-A73 HydrophobicContact CE-CB 3.69Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 2.99Å; L70-A73 PolarHBondContact O-N 3.03Å; Y71-A73 VanDerWaalsContact C-N 3.34Å; Y71-A73 PolarHBondContact O-N 2.76Å; A73-L76 PolarHBondContact O-N 3.45Å; A73-L77 WeakPolarHBondContact O-CB 3.41Å; A73-L77 VanDerWaalsContact O-CG 3.25Å; A73-L77 WeakPolarHBondContact O-CG 3.31Å; A73-L77 PolarHBondContact O-N 2.67Å |
| 74 | I | 92.1 | Very high | 90 | Very high | 82 Ų | 82 | 43 Ų | 43 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 177.3 | -70.7 | 167.9 | 0 | 0 | 0 | 110.7 | L70 Y71 L76 L77 L78 | L70-I74 HydrophobicContact CD1-CD1 3.95Å; L70-I74 HydrophobicContact CD1-CG1 4.27Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 WeakPolarHBondContact O-CB 3.35Å; L70-I74 VanDerWaalsContact O-CG1 3.26Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 2.69Å; Y71-I74 PolarHBondContact O-N 3.49Å; I74-L76 PolarHBondContact O-N 3.2Å; I74-L77 PolarHBondContact O-N 3.19Å; I74-L78 HydrophobicContact CG2-CD1 3.7Å; I74-L78 HydrophobicContact CG2-CG 4.36Å; I74-L78 WeakPolarHBondContact O-CB 3.07Å; I74-L78 VanDerWaalsContact O-CG 3.25Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 2.95Å |
| 75 | L | 90.9 | Very high | 90 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 180 | -172.3 | 64.7 | 0 | 0 | 0 | 111.6 | Y71 L78 L79 Q128 L157 | Y71-L75 HydrophobicContact CE1-CD2 3.97Å; Y71-L75 VanDerWaalsContact O-CB 3.28Å; Y71-L75 WeakPolarHBondContact O-CB 3.27Å; Y71-L75 PolarHBondContact O-N 3.35Å; L75-L78 PolarHBondContact O-N 2.85Å; L75-L79 HydrophobicContact CD1-CD1 3.53Å; L75-L79 HydrophobicContact CD1-CG 4.04Å; L75-L79 HydrophobicContact CG-CD1 3.98Å; L75-L79 WeakPolarHBondContact O-CB 3.05Å; L75-L79 PolarHBondContact O-N 2.79Å; L75-Q128 VanDerWaalsContact CB-OE1 3.24Å; L75-Q128 HydrophobicContact CD2-CB 4.08Å; L75-L157 HydrophobicContact CD1-CD1 4.39Å |
| 76 | L | 92.4 | Very high | 89.9 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69 | -39.8 | 174.8 | -178.8 | 54.6 | 0 | 0 | 0 | 112.5 | L26 L27 N72 A73 I74 L78 G80 P81 F92 Q128 | L26-L76 HydrophobicContact CB-CD2 3.81Å; L26-L76 HydrophobicContact CD1-CD1 4.48Å; L27-L76 HydrophobicContact CD2-CB 4.19Å; L27-L76 HydrophobicContact CD2-CD2 3.75Å; L27-L76 HydrophobicContact CD2-CG 4.05Å; L27-L76 HydrophobicContact CG-CD2 3.67Å; L27-L76 HydrophobicContact CG-CG 3.98Å; N72-L76 WeakPolarHBondContact O-CB 3.16Å; N72-L76 PolarHBondContact O-N 3.04Å; A73-L76 PolarHBondContact O-N 3.45Å; I74-L76 PolarHBondContact O-N 3.2Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.01Å; L76-G80 VanDerWaalsContact O-CA 3.23Å; L76-G80 WeakPolarHBondContact O-CA 3.06Å; L76-G80 PolarHBondContact O-N 3.36Å; L76-P81 WeakPolarHBondContact O-CD 3.17Å; L76-F92 HydrophobicContact CD1-CZ 4.17Å; L76-Q128 VanDerWaalsContact N-OE1 3.1Å |
| 77 | L | 91.6 | Very high | 89.8 | Confident | 95 Ų | 95 | 34.8 Ų | 34.8 | 50% | 0.497 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.7 | -34.9 | 173.1 | -78.6 | 166 | 0 | 0 | 0 | 112.7 | L27 A73 I74 P81 | L27-L77 HydrophobicContact CD1-CD2 3.54Å; L27-L77 HydrophobicContact CD1-CG 3.84Å; L27-L77 HydrophobicContact CD2-CG 4.28Å; A73-L77 WeakPolarHBondContact O-CB 3.41Å; A73-L77 VanDerWaalsContact O-CG 3.25Å; A73-L77 WeakPolarHBondContact O-CG 3.31Å; A73-L77 PolarHBondContact O-N 2.67Å; I74-L77 PolarHBondContact O-N 3.19Å; L77-P81 VanDerWaalsContact O-CD 3.24Å; L77-P81 WeakPolarHBondContact O-CD 3.43Å; L77-P81 WeakPolarHBondContact O-CG 3.5Å |
| 78 | L | 88.8 | Confident | 89.7 | Confident | 90 Ų | 90 | 30.6 Ų | 30.6 | 47% | 0.471 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -82.1 | -42.6 | -178.7 | -72.8 | 171.6 | 0 | 0 | 0 | 113.4 | W9 I74 L75 L76 | W9-L78 PolarHBondContact NE1-O 3.44Å; W9-L78 VanDerWaalsContact NE1-O 3.1Å; I74-L78 HydrophobicContact CG2-CD1 3.7Å; I74-L78 HydrophobicContact CG2-CG 4.36Å; I74-L78 WeakPolarHBondContact O-CB 3.07Å; I74-L78 VanDerWaalsContact O-CG 3.25Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 2.95Å; L75-L78 PolarHBondContact O-N 2.85Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.01Å |
| 79 | L | 89.3 | Confident | 89.7 | Confident | 29 Ų | 29 | 30 Ų | 30 | 15% | 0.152 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -95.7 | -40 | -174.5 | -63.7 | -177.9 | 0 | 0 | 0 | 113.2 | L75 C82 Q83 F132 | L75-L79 HydrophobicContact CD1-CD1 3.53Å; L75-L79 HydrophobicContact CD1-CG 4.04Å; L75-L79 HydrophobicContact CG-CD1 3.98Å; L75-L79 WeakPolarHBondContact O-CB 3.05Å; L75-L79 PolarHBondContact O-N 2.79Å; L79-C82 WeakPolarHBondContact O-CB 3.38Å; L79-C82 PolarHBondContact O-N 3.23Å; L79-C82 VanDerWaalsContact O-N 3.08Å; L79-Q83 WeakPolarHBondContact O-CG 3.39Å; L79-Q83 PolarHBondContact O-N 2.95Å; L79-F132 HydrophobicContact CD1-CB 4.15Å; L79-F132 HydrophobicContact CD1-CD2 3.55Å; L79-F132 HydrophobicContact CD1-CE2 4.1Å; L79-F132 HydrophobicContact CD1-CG 4.01Å; L79-F132 HydrophobicContact CD2-CD2 3.77Å; L79-F132 HydrophobicContact CD2-CE2 3.66Å; L79-F132 HydrophobicContact CG-CD2 4.29Å |
| 80 | G | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.3 | -51.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T23 L76 C82 Q83 E84 | T23-G80 VanDerWaalsContact CG2-CA 3.45Å; L76-G80 VanDerWaalsContact O-CA 3.23Å; L76-G80 WeakPolarHBondContact O-CA 3.06Å; L76-G80 PolarHBondContact O-N 3.36Å; G80-C82 PolarHBondContact O-N 2.93Å; G80-Q83 WeakPolarHBondContact O-CA 3.37Å; G80-Q83 WeakPolarHBondContact O-CB 3.38Å; G80-Q83 PolarHBondContact O-N 3.48Å; G80-E84 WeakPolarHBondContact O-CB 3.36Å; G80-E84 PolarHBondContact O-N 2.87Å |
| 81 | P | 88.7 | Confident | 89.6 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 5% | 0.045 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.5 | -31.3 | -179.9 | -29.3 | 38.1 | 0 | 0 | 0 | 112.4 | W9 F20 T23 L76 L77 R85 | W9-P81 HydrophobicContact CH2-CB 3.5Å; W9-P81 HydrophobicContact CH2-CG 3.75Å; W9-P81 HydrophobicContact CZ2-CB 4Å; W9-P81 HydrophobicContact CZ2-CG 4.06Å; W9-P81 HydrophobicContact CZ3-CB 3.97Å; F20-P81 HydrophobicContact CD1-CB 3.87Å; F20-P81 HydrophobicContact CD2-CB 4.09Å; F20-P81 HydrophobicContact CD2-CG 4.46Å; F20-P81 HydrophobicContact CE1-CB 3.87Å; F20-P81 HydrophobicContact CE2-CB 4.1Å; F20-P81 HydrophobicContact CG-CB 3.99Å; F20-P81 HydrophobicContact CG-CG 4.44Å; F20-P81 HydrophobicContact CZ-CB 3.99Å; T23-P81 HydrophobicContact CG2-CG 4.29Å; L76-P81 WeakPolarHBondContact O-CD 3.17Å; L77-P81 VanDerWaalsContact O-CD 3.24Å; L77-P81 WeakPolarHBondContact O-CD 3.43Å; L77-P81 WeakPolarHBondContact O-CG 3.5Å; P81-R85 WeakPolarHBondContact O-CB 3.42Å; P81-R85 PolarHBondContact O-N 3.44Å; P81-R85 VanDerWaalsContact O-N 3.1Å |
| 82 | C | 86.1 | Confident | 89.6 | Confident | 6 Ų | 6 | 23.1 Ų | 23.1 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.4 | -32.9 | 173.7 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | F12 L79 G80 R86 | F12-C82 HydrophobicContact CB-CB 4.28Å; L79-C82 WeakPolarHBondContact O-CB 3.38Å; L79-C82 PolarHBondContact O-N 3.23Å; L79-C82 VanDerWaalsContact O-N 3.08Å; G80-C82 PolarHBondContact O-N 2.93Å; C82-R86 WeakPolarHBondContact O-CB 3.4Å; C82-R86 PolarHBondContact O-N 3.2Å |
| 83 | Q | 90.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 2% | 0.023 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.4 | -51.2 | 178.4 | -70.8 | 171.9 | 1.3 | 0 | 0 | 111.3 | L79 G80 R85 R86 W87 F92 Q135 | L79-Q83 WeakPolarHBondContact O-CG 3.39Å; L79-Q83 PolarHBondContact O-N 2.95Å; G80-Q83 WeakPolarHBondContact O-CA 3.37Å; G80-Q83 WeakPolarHBondContact O-CB 3.38Å; G80-Q83 PolarHBondContact O-N 3.48Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.3Å; Q83-R86 PolarHBondContact O-N 3.48Å; Q83-W87 HydrophobicContact CB-CE3 3.96Å; Q83-W87 HydrophobicContact CB-CH2 4.39Å; Q83-W87 HydrophobicContact CB-CZ3 3.77Å; Q83-W87 HydrophobicContact CG-CH2 4.19Å; Q83-W87 HydrophobicContact CG-CZ3 4.03Å; Q83-W87 PolarHBondContact O-N 2.89Å; Q83-F92 HydrophobicContact CB-CD2 3.79Å; Q83-F92 HydrophobicContact CB-CE2 3.92Å; Q83-Q135 HydrophobicContact CG-CB 4.47Å; Q83-Q135 HydrophobicContact CG-CG 4.3Å; Q83-Q135 VanDerWaalsContact CG-OE1 3.25Å |
| 84 | E | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.4 | -45.2 | 173.5 | 177.6 | 160.3 | -158 | 0 | 0 | 111.4 | F20 L21 G22 T23 G80 R86 W87 G88 T89 F92 V209 | F20-E84 VanDerWaalsContact CA-OE2 3.32Å; F20-E84 WeakPolarHBondContact CA-OE2 3.41Å; L21-E84 PolarHBondContact N-OE1 3.37Å; G22-E84 PolarHBondContact N-OE1 3Å; G22-E84 PolarHBondContact N-OE2 3.48Å; T23-E84 HydrophobicContact CG2-CB 4.42Å; T23-E84 WeakPolarHBondContact CG2-OE2 3.47Å; T23-E84 PolarHBondContact N-OE2 2.82Å; G80-E84 WeakPolarHBondContact O-CB 3.36Å; G80-E84 PolarHBondContact O-N 2.87Å; E84-R86 PolarHBondContact O-N 2.91Å; E84-W87 PolarHBondContact O-N 3.47Å; E84-G88 CarbonylContact O-C 3.6Å; E84-G88 VanDerWaalsContact O-CA 3.29Å; E84-G88 WeakPolarHBondContact O-CA 3.44Å; E84-G88 PolarHBondContact O-N 3.31Å; E84-T89 VanDerWaalsContact OE1-CB 3.26Å; E84-T89 WeakPolarHBondContact OE1-CB 3.23Å; E84-T89 VanDerWaalsContact OE1-CG2 3.27Å; E84-T89 WeakPolarHBondContact OE1-CG2 3.5Å; E84-T89 PolarHBondContact OE1-OG1 3.12Å; E84-F92 HydrophobicContact CB-CB 4.28Å; E84-F92 HydrophobicContact CB-CD1 4Å; E84-F92 HydrophobicContact CB-CG 4.06Å; E84-F92 HydrophobicContact CG-CD1 4.48Å; E84-V209 HydrophobicContact CG-CB 4.24Å; E84-V209 HydrophobicContact CG-CG2 4.16Å |
| 85 | R | 85.3 | Confident | 89.8 | Confident | 61 Ų | 61 | 20.8 Ų | 20.8 | 23% | 0.23 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.9 | -18.1 | 176.3 | -177.9 | 169.9 | -107.1 | -161.8 | -1.3 | 115 | S14 R16 F20 P81 Q83 | S14-R85 WeakPolarHBondContact O-CD 3.11Å; S14-R85 WeakPolarHBondContact O-CG 3.45Å; S14-R85 PolarHBondContact O-NE 3.05Å; R16-R85 HydrophobicContact CB-CG 4.45Å; R16-R85 PolarHBondContact O-NE 3.21Å; R16-R85 PolarHBondContact O-NH2 3.17Å; F20-R85 HydrophobicContact CE1-CB 4.22Å; P81-R85 WeakPolarHBondContact O-CB 3.42Å; P81-R85 PolarHBondContact O-N 3.44Å; P81-R85 VanDerWaalsContact O-N 3.1Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.3Å |
| 86 | R | 84.3 | Confident | 89.9 | Confident | 46 Ų | 46 | 20 Ų | 20 | 17% | 0.174 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -91 | -44.2 | 174.6 | -178.7 | -176.2 | -70 | -162.2 | -1.5 | 111.9 | F12 C82 Q83 E84 Q135 Q138 | F12-R86 PolarHBondContact O-NE 3.4Å; F12-R86 PolarHBondContact O-NH2 3.2Å; C82-R86 WeakPolarHBondContact O-CB 3.4Å; C82-R86 PolarHBondContact O-N 3.2Å; Q83-R86 PolarHBondContact O-N 3.48Å; E84-R86 PolarHBondContact O-N 2.91Å; R86-Q135 PolarHBondContact NH1-O 3.48Å; R86-Q138 VanDerWaalsContact CD-OE1 3.29Å |
| 87 | W | 87.1 | Confident | 90 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -95.3 | -25.1 | -171.3 | -59.7 | -34.4 | 0 | 0 | 0 | 113.5 | Q83 E84 A91 F92 L95 L131 A134 Q135 I188 Q192 | Q83-W87 HydrophobicContact CB-CE3 3.96Å; Q83-W87 HydrophobicContact CB-CH2 4.39Å; Q83-W87 HydrophobicContact CB-CZ3 3.77Å; Q83-W87 HydrophobicContact CG-CH2 4.19Å; Q83-W87 HydrophobicContact CG-CZ3 4.03Å; Q83-W87 PolarHBondContact O-N 2.89Å; E84-W87 PolarHBondContact O-N 3.47Å; W87-A91 HydrophobicContact CB-CB 4.01Å; W87-F92 HydrophobicContact CE3-CB 4.36Å; W87-F92 HydrophobicContact CE3-CD2 4.13Å; W87-F92 HydrophobicContact CZ3-CD2 4.22Å; W87-L95 HydrophobicContact CD2-CD1 3.83Å; W87-L95 HydrophobicContact CE3-CD1 3.61Å; W87-L95 HydrophobicContact CG-CD1 4.43Å; W87-L95 HydrophobicContact CH2-CD1 4.26Å; W87-L95 HydrophobicContact CZ2-CD1 4.47Å; W87-L95 HydrophobicContact CZ3-CD1 3.84Å; W87-L131 HydrophobicContact CH2-CB 4.19Å; W87-L131 HydrophobicContact CH2-CD2 4.43Å; W87-L131 WeakPolarHBondContact CH2-O 3.31Å; W87-L131 HydrophobicContact CZ3-CB 4.24Å; W87-L131 HydrophobicContact CZ3-CD2 4.07Å; W87-A134 HydrophobicContact CH2-CB 4.37Å; W87-A134 HydrophobicContact CZ2-CB 4.24Å; W87-Q135 HydrophobicContact CH2-CB 4.3Å; W87-Q135 HydrophobicContact CZ2-CB 4.1Å; W87-I188 HydrophobicContact CG-CG2 4.2Å; W87-I188 HydrophobicContact CZ2-CD1 4.48Å; W87-Q192 WeakPolarHBondContact O-CG 3.45Å; W87-Q192 PolarHBondContact O-NE2 3.24Å |
| 88 | G | 88.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 90.2 | 149.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E84 V90 A91 F92 V209 | E84-G88 CarbonylContact O-C 3.6Å; E84-G88 VanDerWaalsContact O-CA 3.29Å; E84-G88 WeakPolarHBondContact O-CA 3.44Å; E84-G88 PolarHBondContact O-N 3.31Å; G88-V90 VanDerWaalsContact C-N 3.32Å; G88-V90 PolarHBondContact O-N 3.18Å; G88-A91 PolarHBondContact O-N 2.85Å; G88-F92 WeakPolarHBondContact O-CB 3.47Å; G88-F92 PolarHBondContact O-N 3.22Å; G88-V209 WeakPolarHBondContact CA-O 3.49Å | ||
| 89 | T | 89.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -53.9 | -46 | -176 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | L21 E84 F92 L93 V209 | L21-T89 HydrophobicContact CB-CG2 4.24Å; E84-T89 VanDerWaalsContact OE1-CB 3.26Å; E84-T89 WeakPolarHBondContact OE1-CB 3.23Å; E84-T89 VanDerWaalsContact OE1-CG2 3.27Å; E84-T89 WeakPolarHBondContact OE1-CG2 3.5Å; E84-T89 PolarHBondContact OE1-OG1 3.12Å; T89-F92 PolarHBondContact O-N 3.44Å; T89-L93 HydrophobicContact CG2-CD1 4Å; T89-L93 WeakPolarHBondContact O-CG 3.34Å; T89-L93 PolarHBondContact O-N 2.96Å; T89-V209 PolarHBondContact N-O 3.04Å; T89-V209 PolarHBondContact OG1-N 3.04Å; T89-V209 PolarHBondContact OG1-O 3.19Å |
| 90 | V | 89.4 | Confident | 90.5 | Very high | 11 Ų | 11 | 16.7 Ų | 16.7 | 7% | 0.067 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | -176.8 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | G88 A94 E195 F200 | G88-V90 VanDerWaalsContact C-N 3.32Å; G88-V90 PolarHBondContact O-N 3.18Å; V90-A94 WeakPolarHBondContact O-CB 3.47Å; V90-A94 PolarHBondContact O-N 3.05Å; V90-E195 HydrophobicContact CB-CB 4.21Å; V90-E195 HydrophobicContact CB-CG 4.46Å; V90-E195 HydrophobicContact CG2-CB 3.87Å; V90-E195 HydrophobicContact CG2-CG 3.63Å; V90-F200 HydrophobicContact CB-CE2 4.41Å; V90-F200 HydrophobicContact CG1-CE2 4.36Å; V90-F200 HydrophobicContact CG2-CD2 3.43Å; V90-F200 VanDerWaalsContact CG2-CD2 3.43Å; V90-F200 HydrophobicContact CG2-CE2 3.57Å; V90-F200 HydrophobicContact CG2-CG 4.3Å |
| 91 | A | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.2 | -35.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W87 G88 L95 L191 Q192 | W87-A91 HydrophobicContact CB-CB 4.01Å; G88-A91 PolarHBondContact O-N 2.85Å; A91-L95 WeakPolarHBondContact O-CB 3.37Å; A91-L95 WeakPolarHBondContact O-CD1 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.37Å; A91-L95 PolarHBondContact O-N 3.35Å; A91-L191 HydrophobicContact CB-CB 4.13Å; A91-Q192 HydrophobicContact CB-CG 3.78Å |
| 92 | F | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 174.2 | 169.4 | -108.5 | 0 | 0 | 0 | 112.3 | T23 L26 L76 Q83 E84 W87 G88 T89 L95 S96 L131 | T23-F92 HydrophobicContact CG2-CE1 3.86Å; T23-F92 HydrophobicContact CG2-CZ 3.98Å; L26-F92 HydrophobicContact CD1-CE1 3.61Å; L26-F92 HydrophobicContact CD1-CZ 3.69Å; L76-F92 HydrophobicContact CD1-CZ 4.17Å; Q83-F92 HydrophobicContact CB-CD2 3.79Å; Q83-F92 HydrophobicContact CB-CE2 3.92Å; E84-F92 HydrophobicContact CB-CB 4.28Å; E84-F92 HydrophobicContact CB-CD1 4Å; E84-F92 HydrophobicContact CB-CG 4.06Å; E84-F92 HydrophobicContact CG-CD1 4.48Å; W87-F92 HydrophobicContact CE3-CB 4.36Å; W87-F92 HydrophobicContact CE3-CD2 4.13Å; W87-F92 HydrophobicContact CZ3-CD2 4.22Å; G88-F92 WeakPolarHBondContact O-CB 3.47Å; G88-F92 PolarHBondContact O-N 3.22Å; T89-F92 PolarHBondContact O-N 3.44Å; F92-L95 PolarHBondContact O-N 3.47Å; F92-S96 WeakPolarHBondContact O-CB 3.28Å; F92-S96 PolarHBondContact O-N 3.36Å; F92-S96 PolarHBondContact O-OG 2.87Å; F92-L131 HydrophobicContact CD2-CD1 4.49Å; F92-L131 HydrophobicContact CE2-CD1 3.97Å |
| 93 | L | 93.2 | Very high | 91.1 | Very high | 26 Ų | 26 | 21.3 Ų | 21.3 | 14% | 0.136 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.9 | -72.1 | 174.6 | 0 | 0 | 0 | 111.8 | F25 L26 T89 S96 L97 | F25-L93 HydrophobicContact CD1-CD2 4.1Å; L26-L93 HydrophobicContact CD1-CD2 4.15Å; L26-L93 HydrophobicContact CD2-CD2 4.08Å; L26-L93 HydrophobicContact CG-CD2 3.93Å; T89-L93 HydrophobicContact CG2-CD1 4Å; T89-L93 WeakPolarHBondContact O-CG 3.34Å; T89-L93 PolarHBondContact O-N 2.96Å; L93-S96 WeakPolarHBondContact O-CB 3.3Å; L93-S96 PolarHBondContact O-N 3.11Å; L93-L97 WeakPolarHBondContact O-CG 3.48Å; L93-L97 PolarHBondContact O-N 2.99Å |
| 94 | A | 92.3 | Very high | 91.1 | Very high | 27 Ų | 27 | 21.1 Ų | 21.1 | 22% | 0.223 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V90 S96 L98 L191 | V90-A94 WeakPolarHBondContact O-CB 3.47Å; V90-A94 PolarHBondContact O-N 3.05Å; A94-S96 VanDerWaalsContact C-N 3.33Å; A94-L98 WeakPolarHBondContact O-CB 3.23Å; A94-L98 PolarHBondContact O-N 3.16Å; A94-L191 HydrophobicContact CB-CD1 4.24Å; A94-L191 HydrophobicContact CB-CD2 4.22Å |
| 95 | L | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -36 | 173.5 | -72.5 | 166.6 | 0 | 0 | 0 | 112.2 | W87 A91 F92 S99 L131 Y183 F187 I188 L191 | W87-L95 HydrophobicContact CD2-CD1 3.83Å; W87-L95 HydrophobicContact CE3-CD1 3.61Å; W87-L95 HydrophobicContact CG-CD1 4.43Å; W87-L95 HydrophobicContact CH2-CD1 4.26Å; W87-L95 HydrophobicContact CZ2-CD1 4.47Å; W87-L95 HydrophobicContact CZ3-CD1 3.84Å; A91-L95 WeakPolarHBondContact O-CB 3.37Å; A91-L95 WeakPolarHBondContact O-CD1 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.37Å; A91-L95 PolarHBondContact O-N 3.35Å; F92-L95 PolarHBondContact O-N 3.47Å; L95-S99 WeakPolarHBondContact O-CB 3.35Å; L95-S99 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact O-OG 3.28Å; L95-L131 HydrophobicContact CB-CD2 3.59Å; L95-Y183 HydrophobicContact CD2-CD1 4.1Å; L95-Y183 HydrophobicContact CD2-CD2 3.71Å; L95-Y183 HydrophobicContact CD2-CE1 4.19Å; L95-Y183 HydrophobicContact CD2-CE2 3.8Å; L95-Y183 HydrophobicContact CD2-CG 3.87Å; L95-F187 HydrophobicContact CD2-CE1 4.21Å; L95-I188 HydrophobicContact CD1-CD1 3.9Å; L95-I188 HydrophobicContact CD1-CG1 3.95Å; L95-I188 HydrophobicContact CD1-CG2 4.49Å; L95-I188 HydrophobicContact CD2-CD1 4.4Å; L95-I188 HydrophobicContact CD2-CG1 4.06Å; L95-L191 HydrophobicContact CD2-CD1 3.53Å; L95-L191 HydrophobicContact CG-CD1 3.63Å |
| 96 | S | 94.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -54.3 | 176.6 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | F92 L93 A94 L98 S99 I100 L131 | F92-S96 WeakPolarHBondContact O-CB 3.28Å; F92-S96 PolarHBondContact O-N 3.36Å; F92-S96 PolarHBondContact O-OG 2.87Å; L93-S96 WeakPolarHBondContact O-CB 3.3Å; L93-S96 PolarHBondContact O-N 3.11Å; A94-S96 VanDerWaalsContact C-N 3.33Å; S96-L98 VanDerWaalsContact C-N 3.32Å; S96-L98 PolarHBondContact O-N 3.22Å; S96-S99 WeakPolarHBondContact O-CB 3.23Å; S96-S99 PolarHBondContact O-N 2.87Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S96-I100 VanDerWaalsContact O-CG1 3.26Å; S96-I100 WeakPolarHBondContact O-CG1 3.29Å; S96-I100 PolarHBondContact O-N 3.1Å; S96-L131 WeakPolarHBondContact OG-CD1 3.38Å |
| 97 | L | 92.8 | Very high | 91.6 | Very high | 100 Ų | 100 | 22.2 Ų | 22.2 | 52% | 0.524 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 177.8 | -68.7 | 169.6 | 0 | 0 | 0 | 112.2 | L93 I100 A101 | L93-L97 WeakPolarHBondContact O-CG 3.48Å; L93-L97 PolarHBondContact O-N 2.99Å; L97-I100 PolarHBondContact O-N 3.01Å; L97-A101 WeakPolarHBondContact O-CB 3Å; L97-A101 PolarHBondContact O-N 2.81Å |
| 98 | L | 93.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 23.7 Ų | 23.7 | 27% | 0.267 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.5 | -37.4 | 175.9 | -176.3 | 65.3 | 0 | 0 | 0 | 112.3 | A94 S96 L102 Y183 F187 | A94-L98 WeakPolarHBondContact O-CB 3.23Å; A94-L98 PolarHBondContact O-N 3.16Å; S96-L98 VanDerWaalsContact C-N 3.32Å; S96-L98 PolarHBondContact O-N 3.22Å; L98-L102 HydrophobicContact CD1-CD1 3.79Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CG-CD1 3.82Å; L98-L102 HydrophobicContact CG-CG 4.35Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 2.92Å; L98-L102 VanDerWaalsContact O-CG 3.25Å; L98-L102 WeakPolarHBondContact O-CG 2.9Å; L98-L102 PolarHBondContact O-N 2.9Å; L98-Y183 HydrophobicContact CD2-CE1 3.74Å; L98-Y183 HydrophobicContact CG-CE1 4.38Å; L98-F187 HydrophobicContact CD2-CE1 3.6Å; L98-F187 HydrophobicContact CD2-CZ 3.51Å |
| 99 | S | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -46.2 | 174 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | L95 S96 A101 L102 L103 Y183 | L95-S99 WeakPolarHBondContact O-CB 3.35Å; L95-S99 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact O-OG 3.28Å; S96-S99 WeakPolarHBondContact O-CB 3.23Å; S96-S99 PolarHBondContact O-N 2.87Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.9Å; S99-L102 PolarHBondContact O-N 3.34Å; S99-L103 VanDerWaalsContact O-CB 3.28Å; S99-L103 WeakPolarHBondContact O-CB 3.37Å; S99-L103 WeakPolarHBondContact O-CG 3.48Å; S99-L103 PolarHBondContact O-N 3.08Å; S99-Y183 PolarHBondContact N-OH 3.46Å; S99-Y183 PolarHBondContact OG-OH 3.12Å; S99-Y183 VanDerWaalsContact OG-OH 3.06Å |
| 100 | I | 93.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 177.6 | -67.5 | 167 | 0 | 0 | 0 | 111 | Y59 A60 F61 S96 L97 P104 T127 | Y59-I100 HydrophobicContact CD1-CG2 4.42Å; Y59-I100 HydrophobicContact CE1-CG2 3.7Å; Y59-I100 PolarHBondContact OH-O 3.1Å; Y59-I100 VanDerWaalsContact OH-O 3.12Å; A60-I100 HydrophobicContact CB-CB 4.4Å; A60-I100 HydrophobicContact CB-CD1 3.78Å; A60-I100 HydrophobicContact CB-CG1 3.61Å; A60-I100 HydrophobicContact CB-CG2 3.96Å; F61-I100 HydrophobicContact CE2-CD1 3.84Å; F61-I100 HydrophobicContact CZ-CD1 3.72Å; S96-I100 VanDerWaalsContact O-CG1 3.26Å; S96-I100 WeakPolarHBondContact O-CG1 3.29Å; S96-I100 PolarHBondContact O-N 3.1Å; L97-I100 PolarHBondContact O-N 3.01Å; I100-P104 WeakPolarHBondContact O-CD 3.48Å; I100-T127 HydrophobicContact CD1-CG2 4.37Å; I100-T127 HydrophobicContact CG1-CG2 3.87Å; I100-T127 WeakPolarHBondContact CG1-OG1 3.49Å |
| 101 | A | 91.8 | Very high | 91.7 | Very high | 45 Ų | 45 | 30 Ų | 30 | 37% | 0.372 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -74.3 | -32.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L97 S99 P105 | L97-A101 WeakPolarHBondContact O-CB 3Å; L97-A101 PolarHBondContact O-N 2.81Å; S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.9Å; A101-P105 WeakPolarHBondContact O-CD 3.48Å; A101-P105 WeakPolarHBondContact O-CG 3.29Å |
| 102 | L | 92.4 | Very high | 91.5 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -86.4 | -26.4 | -179 | -69.7 | 178 | 0 | 0 | 0 | 113.9 | L98 S99 P105 L106 I179 | L98-L102 HydrophobicContact CD1-CD1 3.79Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CG-CD1 3.82Å; L98-L102 HydrophobicContact CG-CG 4.35Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 2.92Å; L98-L102 VanDerWaalsContact O-CG 3.25Å; L98-L102 WeakPolarHBondContact O-CG 2.9Å; L98-L102 PolarHBondContact O-N 2.9Å; S99-L102 PolarHBondContact O-N 3.34Å; L102-P105 WeakPolarHBondContact O-CD 3.26Å; L102-P105 WeakPolarHBondContact O-CG 3.12Å; L102-L106 HydrophobicContact CB-CD1 4.26Å; L102-L106 WeakPolarHBondContact O-CB 3.23Å; L102-L106 WeakPolarHBondContact O-CD1 3.43Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.39Å; L102-I179 HydrophobicContact CB-CD1 4.26Å |
| 103 | L | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -53 | -177.3 | -91.3 | 165.8 | 0 | 0 | 0 | 113.4 | S99 Y107 A126 L172 C175 A176 I179 | S99-L103 VanDerWaalsContact O-CB 3.28Å; S99-L103 WeakPolarHBondContact O-CB 3.37Å; S99-L103 WeakPolarHBondContact O-CG 3.48Å; S99-L103 PolarHBondContact O-N 3.08Å; L103-Y107 WeakPolarHBondContact O-CB 3.41Å; L103-Y107 PolarHBondContact O-N 3.39Å; L103-A126 HydrophobicContact CD1-CB 3.89Å; L103-A126 HydrophobicContact CD2-CB 4.29Å; L103-L172 HydrophobicContact CB-CD1 4.2Å; L103-L172 HydrophobicContact CD2-CD1 3.83Å; L103-L172 HydrophobicContact CD2-CG 4.37Å; L103-C175 HydrophobicContact CD2-CB 4.12Å; L103-A176 HydrophobicContact CD2-CB 3.98Å; L103-I179 HydrophobicContact CB-CD1 4.36Å; L103-I179 HydrophobicContact CD2-CD1 3.62Å; L103-I179 HydrophobicContact CG-CD1 3.63Å |
| 104 | P | 90 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | -179.5 | -25.2 | 36.3 | 0 | 0 | 0 | 115.3 | L42 L44 L56 Y59 I100 L106 Y107 A108 | L42-P104 HydrophobicContact CD1-CB 3.71Å; L42-P104 HydrophobicContact CD1-CG 3.43Å; L42-P104 VanDerWaalsContact CD1-CG 3.43Å; L44-P104 HydrophobicContact CD1-CB 3.9Å; L44-P104 HydrophobicContact CD2-CB 4.25Å; L56-P104 HydrophobicContact CD1-CB 3.7Å; L56-P104 HydrophobicContact CD1-CG 3.8Å; Y59-P104 HydrophobicContact CD1-CG 4.38Å; Y59-P104 HydrophobicContact CE1-CG 3.56Å; Y59-P104 WeakPolarHBondContact OH-CD 3.32Å; I100-P104 WeakPolarHBondContact O-CD 3.48Å; P104-L106 PolarHBondContact O-N 3.1Å; P104-Y107 PolarHBondContact O-N 3.39Å; P104-A108 WeakPolarHBondContact O-CB 3.4Å; P104-A108 PolarHBondContact O-N 2.96Å |
| 105 | P | 89.4 | Confident | 90.4 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | -179.6 | 25.9 | -34 | 0 | 0 | 0 | 112.2 | A101 L102 A108 I109 | A101-P105 WeakPolarHBondContact O-CD 3.48Å; A101-P105 WeakPolarHBondContact O-CG 3.29Å; L102-P105 WeakPolarHBondContact O-CD 3.26Å; L102-P105 WeakPolarHBondContact O-CG 3.12Å; P105-A108 PolarHBondContact O-N 2.91Å; P105-I109 WeakPolarHBondContact O-CB 3.43Å; P105-I109 WeakPolarHBondContact O-CD1 3.38Å; P105-I109 VanDerWaalsContact O-CG1 3.23Å; P105-I109 WeakPolarHBondContact O-CG1 3.28Å; P105-I109 PolarHBondContact O-N 2.85Å |
| 106 | L | 91.3 | Very high | 89.8 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 175.1 | -73.7 | 170.4 | 0 | 0 | 0 | 111.7 | L102 P104 I109 L110 I179 | L102-L106 HydrophobicContact CB-CD1 4.26Å; L102-L106 WeakPolarHBondContact O-CB 3.23Å; L102-L106 WeakPolarHBondContact O-CD1 3.43Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.39Å; P104-L106 PolarHBondContact O-N 3.1Å; L106-I109 PolarHBondContact O-N 3.08Å; L106-L110 VanDerWaalsContact O-CD1 3.23Å; L106-L110 WeakPolarHBondContact O-CD1 3.35Å; L106-L110 PolarHBondContact O-N 3.45Å; L106-L110 VanDerWaalsContact O-N 3.11Å; L106-I179 HydrophobicContact CD1-CD1 3.71Å; L106-I179 HydrophobicContact CD1-CG1 3.54Å |
| 107 | Y | 90.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 175.7 | -178.6 | -141.2 | 0 | 0 | 0 | 112.5 | L44 L103 P104 I109 L110 L111 S119 V121 P169 L171 L172 | L44-Y107 HydrophobicContact CD1-CD1 3.96Å; L103-Y107 WeakPolarHBondContact O-CB 3.41Å; L103-Y107 PolarHBondContact O-N 3.39Å; P104-Y107 PolarHBondContact O-N 3.39Å; Y107-I109 VanDerWaalsContact C-N 3.31Å; Y107-I109 PolarHBondContact O-N 3.44Å; Y107-L110 PolarHBondContact O-N 3.04Å; Y107-L110 VanDerWaalsContact O-N 3.08Å; Y107-L111 HydrophobicContact CD1-CD1 4.29Å; Y107-L111 HydrophobicContact CD2-CD1 4.35Å; Y107-L111 HydrophobicContact CD2-CG 4.04Å; Y107-L111 HydrophobicContact CE1-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD2 3.66Å; Y107-L111 HydrophobicContact CE2-CG 3.59Å; Y107-L111 HydrophobicContact CG-CD1 4.49Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 3.47Å; Y107-S119 VanDerWaalsContact CE1-OG 3.23Å; Y107-S119 WeakPolarHBondContact CE1-OG 3.23Å; Y107-S119 WeakPolarHBondContact OH-CB 3.47Å; Y107-S119 PolarHBondContact OH-OG 3.1Å; Y107-S119 VanDerWaalsContact OH-OG 3.11Å; Y107-V121 HydrophobicContact CD1-CG2 4.03Å; Y107-V121 HydrophobicContact CE1-CG2 3.7Å; Y107-P169 HydrophobicContact CE1-CB 4.34Å; Y107-P169 HydrophobicContact CE1-CG 3.74Å; Y107-P169 WeakPolarHBondContact OH-CB 3.34Å; Y107-P169 WeakPolarHBondContact OH-CG 3.42Å; Y107-L171 HydrophobicContact CD2-CB 4.11Å; Y107-L171 HydrophobicContact CE2-CB 3.55Å; Y107-L171 HydrophobicContact CE2-CD1 4.32Å; Y107-L172 HydrophobicContact CD1-CB 4.07Å; Y107-L172 HydrophobicContact CD1-CD1 3.8Å; Y107-L172 HydrophobicContact CD1-CG 4.45Å; Y107-L172 HydrophobicContact CE1-CB 4.22Å; Y107-L172 HydrophobicContact CG-CB 4.23Å; Y107-L172 HydrophobicContact CG-CD1 3.96Å |
| 108 | A | 89 | Confident | 88.7 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P104 P105 L111 F112 | P104-A108 WeakPolarHBondContact O-CB 3.4Å; P104-A108 PolarHBondContact O-N 2.96Å; P105-A108 PolarHBondContact O-N 2.91Å; A108-L111 PolarHBondContact O-N 3.01Å; A108-F112 WeakPolarHBondContact O-CB 3.32Å; A108-F112 PolarHBondContact O-N 3.01Å |
| 109 | I | 89.4 | Confident | 88.2 | Confident | 94 Ų | 94 | 55.9 Ų | 55.9 | 48% | 0.482 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 172 | -71 | 163.5 | 0 | 0 | 0 | 110.9 | P105 L106 Y107 F112 I113 | P105-I109 WeakPolarHBondContact O-CB 3.43Å; P105-I109 WeakPolarHBondContact O-CD1 3.38Å; P105-I109 VanDerWaalsContact O-CG1 3.23Å; P105-I109 WeakPolarHBondContact O-CG1 3.28Å; P105-I109 PolarHBondContact O-N 2.85Å; L106-I109 PolarHBondContact O-N 3.08Å; Y107-I109 VanDerWaalsContact C-N 3.31Å; Y107-I109 PolarHBondContact O-N 3.44Å; I109-F112 PolarHBondContact O-N 2.98Å; I109-I113 HydrophobicContact CG2-CD1 3.74Å; I109-I113 WeakPolarHBondContact O-CD1 3.43Å; I109-I113 VanDerWaalsContact O-CG1 3.26Å; I109-I113 WeakPolarHBondContact O-CG1 3.47Å; I109-I113 PolarHBondContact O-N 3.33Å; I109-I113 VanDerWaalsContact O-N 3.08Å |
| 110 | L | 89.3 | Confident | 87.8 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176 | -95.5 | 79.8 | 0 | 0 | 0 | 112.1 | L106 Y107 F112 I113 S114 | L106-L110 VanDerWaalsContact O-CD1 3.23Å; L106-L110 WeakPolarHBondContact O-CD1 3.35Å; L106-L110 PolarHBondContact O-N 3.45Å; L106-L110 VanDerWaalsContact O-N 3.11Å; Y107-L110 PolarHBondContact O-N 3.04Å; Y107-L110 VanDerWaalsContact O-N 3.08Å; L110-F112 VanDerWaalsContact C-N 3.31Å; L110-F112 PolarHBondContact O-N 3.18Å; L110-I113 PolarHBondContact O-N 3.13Å; L110-I113 VanDerWaalsContact O-N 3.1Å; L110-S114 PolarHBondContact O-N 3.44Å; L110-S114 PolarHBondContact O-OG 3.07Å; L110-S114 VanDerWaalsContact O-OG 3.11Å |
| 111 | L | 88.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 177.5 | -70.6 | 172.6 | 0 | 0 | 0 | 112.3 | L44 Y107 A108 I113 S114 G115 D116 | L44-L111 HydrophobicContact CB-CD1 4.18Å; L44-L111 WeakPolarHBondContact O-CD1 3.44Å; Y107-L111 HydrophobicContact CD1-CD1 4.29Å; Y107-L111 HydrophobicContact CD2-CD1 4.35Å; Y107-L111 HydrophobicContact CD2-CG 4.04Å; Y107-L111 HydrophobicContact CE1-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD2 3.66Å; Y107-L111 HydrophobicContact CE2-CG 3.59Å; Y107-L111 HydrophobicContact CG-CD1 4.49Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 3.47Å; A108-L111 PolarHBondContact O-N 3.01Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 3.16Å; L111-S114 WeakPolarHBondContact CA-OG 3.45Å; L111-S114 PolarHBondContact O-N 2.91Å; L111-S114 PolarHBondContact O-OG 3.4Å; L111-G115 PolarHBondContact O-N 2.95Å; L111-D116 HydrophobicContact CD2-CB 3.72Å; L111-D116 WeakPolarHBondContact CD2-OD2 3.36Å; L111-D116 PolarHBondContact O-N 3.41Å |
| 112 | F | 86.6 | Confident | 87.2 | Confident | 165 Ų | 165 | 60.8 Ų | 60.8 | 72% | 0.724 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.7 | -31.2 | 177.1 | -168.2 | -92.2 | 0 | 0 | 0 | 112.7 | A108 I109 L110 | A108-F112 WeakPolarHBondContact O-CB 3.32Å; A108-F112 PolarHBondContact O-N 3.01Å; I109-F112 PolarHBondContact O-N 2.98Å; L110-F112 VanDerWaalsContact C-N 3.31Å; L110-F112 PolarHBondContact O-N 3.18Å |
| 113 | I | 88.6 | Confident | 87 | Confident | 135 Ų | 135 | 57.9 Ų | 57.9 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -78.3 | -36.3 | 175.5 | -68.5 | 166.5 | 0 | 0 | 0 | 111.7 | I109 L110 L111 | I109-I113 HydrophobicContact CG2-CD1 3.74Å; I109-I113 WeakPolarHBondContact O-CD1 3.43Å; I109-I113 VanDerWaalsContact O-CG1 3.26Å; I109-I113 WeakPolarHBondContact O-CG1 3.47Å; I109-I113 PolarHBondContact O-N 3.33Å; I109-I113 VanDerWaalsContact O-N 3.08Å; L110-I113 PolarHBondContact O-N 3.13Å; L110-I113 VanDerWaalsContact O-N 3.1Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 3.16Å |
| 114 | S | 85.6 | Confident | 86.8 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -81.5 | -15.8 | 179.2 | 59.3 | 0 | 0 | 0 | 0 | 114 | L110 L111 D116 | L110-S114 PolarHBondContact O-N 3.44Å; L110-S114 PolarHBondContact O-OG 3.07Å; L110-S114 VanDerWaalsContact O-OG 3.11Å; L111-S114 WeakPolarHBondContact CA-OG 3.45Å; L111-S114 PolarHBondContact O-N 2.91Å; L111-S114 PolarHBondContact O-OG 3.4Å; S114-D116 VanDerWaalsContact C-N 3.27Å; S114-D116 VanDerWaalsContact OG-CB 3.31Å; S114-D116 WeakPolarHBondContact OG-CB 3.28Å |
| 115 | G | 81.1 | Confident | 86.9 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 69% | 0.691 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 28.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L111 | L111-G115 PolarHBondContact O-N 2.95Š|
| 116 | D | 82.1 | Confident | 87.1 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | trans | -86.9 | 158.5 | -176.2 | -171.8 | 21 | 0 | 0 | 0 | 111.2 | P46 L111 S114 | P46-D116 VanDerWaalsContact CD-O 3.23Å; P46-D116 WeakPolarHBondContact CD-O 3.4Å; P46-D116 WeakPolarHBondContact CG-O 3.36Å; L111-D116 HydrophobicContact CD2-CB 3.72Å; L111-D116 WeakPolarHBondContact CD2-OD2 3.36Å; L111-D116 PolarHBondContact O-N 3.41Å; S114-D116 VanDerWaalsContact C-N 3.27Å; S114-D116 VanDerWaalsContact OG-CB 3.31Å; S114-D116 WeakPolarHBondContact OG-CB 3.28Å | ||
| 117 | E | 82.8 | Confident | 87.2 | Confident | 162 Ų | 162 | 52.8 Ų | 52.8 | 76% | 0.757 | 30% | 0.297 | S | S | * | . | trans | -72.3 | 167 | -171.6 | -68.8 | -165.5 | 166.4 | 0 | 0 | 113.5 | S119 | E117-S119 PolarHBondContact O-N 2.78Š| ||
| 118 | A | 81.2 | Confident | 87.3 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | trans | -67.7 | 101.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L44 | L44-A118 CarbonylContact O-C 3.48Å; L44-A118 WeakPolarHBondContact O-CA 3.47Å | ||
| 119 | S | 83.8 | Confident | 87.6 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 153.4 | -179.3 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | S43 L44 Y107 E117 | S43-S119 WeakPolarHBondContact CA-O 3.35Å; L44-S119 PolarHBondContact N-O 3.18Å; L44-S119 PolarHBondContact O-N 3.25Å; L44-S119 PolarHBondContact O-OG 3.08Å; Y107-S119 VanDerWaalsContact CE1-OG 3.23Å; Y107-S119 WeakPolarHBondContact CE1-OG 3.23Å; Y107-S119 WeakPolarHBondContact OH-CB 3.47Å; Y107-S119 PolarHBondContact OH-OG 3.1Å; Y107-S119 VanDerWaalsContact OH-OG 3.11Å; E117-S119 PolarHBondContact O-N 2.78Å |
| 120 | R | 84.8 | Confident | 87.8 | Confident | 126 Ų | 126 | 47.2 Ų | 47.2 | 48% | 0.475 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.5 | 174.3 | -167.9 | 168 | 175.2 | -122.9 | -8.3 | 110.4 | S41 L42 E64 | S41-R120 PolarHBondContact OG-NE 2.87Å; S41-R120 PolarHBondContact OG-NH2 2.83Å; L42-R120 CarbonylContact O-C 3.59Å; L42-R120 WeakPolarHBondContact O-CA 3.35Å; E64-R120 VanDerWaalsContact CD-CZ 3.48Å; E64-R120 VanDerWaalsContact CD-NH1 3.32Å; E64-R120 IonicContact OE1-CZ 3.09Å; E64-R120 IonicContact OE1-NE 3.78Å; E64-R120 IonicContact OE1-NH1 3.19Å; E64-R120 PolarHBondContact OE1-NH1 3.15Å; E64-R120 IonicContact OE1-NH2 2.68Å; E64-R120 PolarHBondContact OE1-NH2 2.87Å; E64-R120 IonicContact OE2-CZ 3.12Å; E64-R120 IonicContact OE2-NH1 2.67Å; E64-R120 PolarHBondContact OE2-NH1 3.02Å; E64-R120 IonicContact OE2-NH2 2.73Å; E64-R120 PolarHBondContact OE2-NH2 3.48Å |
| 121 | V | 86.6 | Confident | 88.1 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.4 | -173.5 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L42 L44 Y59 Y107 P169 L172 | L42-V121 HydrophobicContact CB-CB 4.43Å; L42-V121 PolarHBondContact N-O 3Å; L42-V121 PolarHBondContact O-N 2.94Å; L44-V121 HydrophobicContact CD1-CB 4.35Å; L44-V121 HydrophobicContact CD1-CG2 4.12Å; Y59-V121 HydrophobicContact CD2-CG1 3.81Å; Y59-V121 HydrophobicContact CE2-CG1 3.77Å; Y107-V121 HydrophobicContact CD1-CG2 4.03Å; Y107-V121 HydrophobicContact CE1-CG2 3.7Å; V121-P169 HydrophobicContact CG2-CG 3.97Å; V121-L172 HydrophobicContact CB-CD2 4.42Å; V121-L172 HydrophobicContact CG1-CD2 3.42Å; V121-L172 VanDerWaalsContact CG1-CD2 3.42Å; V121-L172 HydrophobicContact CG2-CD2 4.09Å |
| 122 | C | 86.1 | Confident | 88.3 | Confident | 25 Ų | 25 | 46 Ų | 46 | 17% | 0.169 | 26% | 0.256 | C | S | . | . | trans | -147.9 | 159.8 | 174.1 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | Y59 E64 | Y59-C122 CarbonylContact O-C 3.36Å; E64-C122 PolarHBondContact OE1-SG 3.28Å | ||
| 123 | G | 87.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 87.9 | 157 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y59 A60 S62 H63 S125 | Y59-G123 PolarHBondContact O-N 2.83Å; A60-G123 CarbonylContact O-C 3.38Å; S62-G123 VanDerWaalsContact O-CA 3.23Å; S62-G123 WeakPolarHBondContact O-CA 3.41Å; S62-G123 PolarHBondContact O-N 2.92Å; S62-G123 VanDerWaalsContact O-N 3.09Å; H63-G123 WeakPolarHBondContact CE1-CA 3.18Å; G123-S125 PolarHBondContact O-N 3.35Å |
| 124 | S | 88.8 | Confident | 88.7 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -82.8 | -2.6 | -174.2 | 50.4 | 0 | 0 | 0 | 0 | 115 | A60 A126 T127 Q128 | A60-S124 VanDerWaalsContact O-CA 3.26Å; A60-S124 WeakPolarHBondContact O-CA 3.23Å; A60-S124 WeakPolarHBondContact O-CB 3.5Å; A60-S124 PolarHBondContact O-N 3.25Å; S124-A126 PolarHBondContact O-N 2.86Å; S124-T127 CarbonylContact O-C 3.44Å; S124-T127 WeakPolarHBondContact O-CA 3.34Å; S124-T127 VanDerWaalsContact O-CB 3.28Å; S124-T127 WeakPolarHBondContact O-CB 3.43Å; S124-T127 PolarHBondContact O-N 2.95Å; S124-Q128 WeakPolarHBondContact O-CG 3.48Å; S124-Q128 PolarHBondContact O-N 3.09Å; S124-Q128 PolarHBondContact OG-NE2 3.25Å |
| 125 | S | 92.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | -167.9 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | N72 G123 L129 H173 | N72-S125 WeakPolarHBondContact OD1-CA 3.26Å; N72-S125 VanDerWaalsContact OD1-CB 3.27Å; N72-S125 WeakPolarHBondContact OD1-CB 3.47Å; N72-S125 PolarHBondContact OD1-N 2.83Å; G123-S125 PolarHBondContact O-N 3.35Å; S125-L129 WeakPolarHBondContact O-CB 3.39Å; S125-L129 PolarHBondContact O-N 3.4Å; S125-H173 PolarHBondContact OG-CE1 3.03Å |
| 126 | A | 92.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L103 S124 L129 A130 L172 A176 | L103-A126 HydrophobicContact CD1-CB 3.89Å; L103-A126 HydrophobicContact CD2-CB 4.29Å; S124-A126 PolarHBondContact O-N 2.86Å; A126-L129 PolarHBondContact O-N 2.91Å; A126-A130 PolarHBondContact O-N 2.96Å; A126-L172 HydrophobicContact CB-CD2 3.95Å; A126-L172 HydrophobicContact CB-CG 3.83Å; A126-A176 HydrophobicContact CB-CB 4.22Å; A126-A176 WeakPolarHBondContact O-CB 3.36Å |
| 127 | T | 93.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 175 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | I100 S124 L129 A130 L131 | I100-T127 HydrophobicContact CD1-CG2 4.37Å; I100-T127 HydrophobicContact CG1-CG2 3.87Å; I100-T127 WeakPolarHBondContact CG1-OG1 3.49Å; S124-T127 CarbonylContact O-C 3.44Å; S124-T127 WeakPolarHBondContact O-CA 3.34Å; S124-T127 VanDerWaalsContact O-CB 3.28Å; S124-T127 WeakPolarHBondContact O-CB 3.43Å; S124-T127 PolarHBondContact O-N 2.95Å; T127-L129 PolarHBondContact O-N 3.14Å; T127-A130 WeakPolarHBondContact O-CB 3.47Å; T127-A130 PolarHBondContact O-N 2.9Å; T127-L131 WeakPolarHBondContact O-CG 3.4Å; T127-L131 PolarHBondContact O-N 2.73Å; T127-L131 VanDerWaalsContact O-N 3.14Å |
| 128 | Q | 93.5 | Very high | 89.3 | Confident | 11 Ų | 11 | 21.6 Ų | 21.6 | 5% | 0.051 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.5 | -62.4 | -170.6 | 36.1 | 0 | 0 | 111.8 | N72 L75 L76 S124 L131 F132 | N72-Q128 PolarHBondContact O-NE2 3.25Å; N72-Q128 PolarHBondContact O-OE1 3.45Å; N72-Q128 PolarHBondContact OD1-NE2 3.06Å; L75-Q128 VanDerWaalsContact CB-OE1 3.24Å; L75-Q128 HydrophobicContact CD2-CB 4.08Å; L76-Q128 VanDerWaalsContact N-OE1 3.1Å; S124-Q128 WeakPolarHBondContact O-CG 3.48Å; S124-Q128 PolarHBondContact O-N 3.09Å; S124-Q128 PolarHBondContact OG-NE2 3.25Å; Q128-L131 PolarHBondContact O-N 2.57Å; Q128-F132 VanDerWaalsContact O-CB 3.31Å; Q128-F132 WeakPolarHBondContact O-CB 3.26Å; Q128-F132 PolarHBondContact O-N 2.92Å |
| 129 | L | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 172.3 | 177.9 | 60 | 0 | 0 | 0 | 111.8 | S125 A126 T127 L131 F132 T133 L157 H173 A176 I177 | S125-L129 WeakPolarHBondContact O-CB 3.39Å; S125-L129 PolarHBondContact O-N 3.4Å; A126-L129 PolarHBondContact O-N 2.91Å; T127-L129 PolarHBondContact O-N 3.14Å; L129-L131 PolarHBondContact O-N 3.12Å; L129-F132 PolarHBondContact O-N 3.09Å; L129-T133 HydrophobicContact CD1-CG2 4.15Å; L129-T133 HydrophobicContact CG-CG2 4.4Å; L129-T133 WeakPolarHBondContact O-CG2 3.34Å; L129-T133 PolarHBondContact O-N 2.93Å; L129-L157 HydrophobicContact CD1-CB 4.02Å; L129-L157 HydrophobicContact CD1-CD2 3.87Å; L129-L157 HydrophobicContact CD1-CG 4.02Å; L129-H173 HydrophobicContact CD2-CB 3.74Å; L129-H173 WeakPolarHBondContact CD2-O 3.47Å; L129-A176 HydrophobicContact CB-CB 4.29Å; L129-A176 HydrophobicContact CD2-CB 4.28Å; L129-A176 HydrophobicContact CG-CB 4.26Å; L129-I177 HydrophobicContact CD1-CG1 4.44Å; L129-I177 HydrophobicContact CD2-CG1 4.1Å; L129-I177 HydrophobicContact CG-CG1 4.24Å |
| 130 | A | 95.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.4 | -50.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | A126 T127 F132 T133 A134 A176 G180 | A126-A130 PolarHBondContact O-N 2.96Å; T127-A130 WeakPolarHBondContact O-CB 3.47Å; T127-A130 PolarHBondContact O-N 2.9Å; A130-F132 VanDerWaalsContact C-N 3.34Å; A130-F132 PolarHBondContact O-N 3.3Å; A130-T133 PolarHBondContact O-N 2.85Å; A130-T133 PolarHBondContact O-OG1 3.34Å; A130-A134 PolarHBondContact O-N 3.11Å; A130-A176 WeakPolarHBondContact CA-O 3.25Å; A130-A176 HydrophobicContact CB-CB 3.95Å; A130-A176 WeakPolarHBondContact CB-O 3.31Å; A130-G180 WeakPolarHBondContact O-CA 3.47Å |
| 131 | L | 94.3 | Very high | 86.3 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 176 | -59.7 | 176.5 | 0 | 0 | 0 | 111.5 | W87 F92 L95 S96 T127 Q128 L129 T133 A134 Q135 | W87-L131 HydrophobicContact CH2-CB 4.19Å; W87-L131 HydrophobicContact CH2-CD2 4.43Å; W87-L131 WeakPolarHBondContact CH2-O 3.31Å; W87-L131 HydrophobicContact CZ3-CB 4.24Å; W87-L131 HydrophobicContact CZ3-CD2 4.07Å; F92-L131 HydrophobicContact CD2-CD1 4.49Å; F92-L131 HydrophobicContact CE2-CD1 3.97Å; L95-L131 HydrophobicContact CB-CD2 3.59Å; S96-L131 WeakPolarHBondContact OG-CD1 3.38Å; T127-L131 WeakPolarHBondContact O-CG 3.4Å; T127-L131 PolarHBondContact O-N 2.73Å; T127-L131 VanDerWaalsContact O-N 3.14Å; Q128-L131 PolarHBondContact O-N 2.57Å; L129-L131 PolarHBondContact O-N 3.12Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.32Å; L131-A134 PolarHBondContact O-N 3.22Å; L131-Q135 WeakPolarHBondContact O-CB 3.43Å; L131-Q135 PolarHBondContact O-N 3.44Å |
| 132 | F | 92.9 | Very high | 85 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -37.7 | 177.1 | -174 | -115.6 | 0 | 0 | 0 | 112.8 | L79 Q128 L129 A130 Q135 C136 L153 L157 | L79-F132 HydrophobicContact CD1-CB 4.15Å; L79-F132 HydrophobicContact CD1-CD2 3.55Å; L79-F132 HydrophobicContact CD1-CE2 4.1Å; L79-F132 HydrophobicContact CD1-CG 4.01Å; L79-F132 HydrophobicContact CD2-CD2 3.77Å; L79-F132 HydrophobicContact CD2-CE2 3.66Å; L79-F132 HydrophobicContact CG-CD2 4.29Å; Q128-F132 VanDerWaalsContact O-CB 3.31Å; Q128-F132 WeakPolarHBondContact O-CB 3.26Å; Q128-F132 PolarHBondContact O-N 2.92Å; L129-F132 PolarHBondContact O-N 3.09Å; A130-F132 VanDerWaalsContact C-N 3.34Å; A130-F132 PolarHBondContact O-N 3.3Å; F132-Q135 WeakPolarHBondContact O-CB 3.17Å; F132-Q135 PolarHBondContact O-N 3.43Å; F132-C136 WeakPolarHBondContact O-CB 3.36Å; F132-C136 PolarHBondContact O-N 3.45Å; F132-C136 PolarHBondContact O-SG 3Å; F132-L153 HydrophobicContact CE1-CB 4.38Å; F132-L153 HydrophobicContact CE1-CD2 4.17Å; F132-L153 HydrophobicContact CE1-CG 3.85Å; F132-L153 HydrophobicContact CE2-CD2 4.35Å; F132-L153 HydrophobicContact CZ-CD2 3.5Å; F132-L153 VanDerWaalsContact CZ-CD2 3.5Å; F132-L153 HydrophobicContact CZ-CG 3.65Å; F132-L157 HydrophobicContact CB-CD2 4.22Å; F132-L157 HydrophobicContact CD1-CB 4.3Å; F132-L157 HydrophobicContact CD1-CD2 3.39Å; F132-L157 HydrophobicContact CD1-CG 4.48Å; F132-L157 HydrophobicContact CE1-CB 4.15Å; F132-L157 HydrophobicContact CE1-CD2 3.8Å; F132-L157 HydrophobicContact CG-CD2 3.92Å |
| 133 | T | 92.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 176 | 75.2 | 0 | 0 | 0 | 0 | 112 | L129 A130 L131 C136 R137 P154 I177 G180 | L129-T133 HydrophobicContact CD1-CG2 4.15Å; L129-T133 HydrophobicContact CG-CG2 4.4Å; L129-T133 WeakPolarHBondContact O-CG2 3.34Å; L129-T133 PolarHBondContact O-N 2.93Å; A130-T133 PolarHBondContact O-N 2.85Å; A130-T133 PolarHBondContact O-OG1 3.34Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.32Å; T133-C136 PolarHBondContact O-N 3.49Å; T133-R137 WeakPolarHBondContact O-CB 3.38Å; T133-R137 PolarHBondContact O-N 3.48Å; T133-P154 HydrophobicContact CG2-CB 3.58Å; T133-P154 HydrophobicContact CG2-CG 3.87Å; T133-I177 HydrophobicContact CG2-CB 4.23Å; T133-I177 HydrophobicContact CG2-CG1 3.93Å; T133-I177 HydrophobicContact CG2-CG2 4.35Å; T133-G180 WeakPolarHBondContact OG1-CA 3.3Å |
| 134 | A | 91.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W87 A130 L131 R137 Q138 Y183 | W87-A134 HydrophobicContact CH2-CB 4.37Å; W87-A134 HydrophobicContact CZ2-CB 4.24Å; A130-A134 PolarHBondContact O-N 3.11Å; L131-A134 PolarHBondContact O-N 3.22Å; A134-R137 PolarHBondContact O-N 2.86Å; A134-Q138 WeakPolarHBondContact O-CG 3.32Å; A134-Q138 PolarHBondContact O-N 3.44Å; A134-Y183 HydrophobicContact CB-CD2 4.02Å |
| 135 | Q | 89.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.3 | -174.6 | -173.8 | 12.2 | 0 | 0 | 111.8 | F12 Q83 R86 W87 L131 F132 Q138 | F12-Q135 HydrophobicContact CD1-CG 4.08Å; Q83-Q135 HydrophobicContact CG-CB 4.47Å; Q83-Q135 HydrophobicContact CG-CG 4.3Å; Q83-Q135 VanDerWaalsContact CG-OE1 3.25Å; R86-Q135 PolarHBondContact NH1-O 3.48Å; W87-Q135 HydrophobicContact CH2-CB 4.3Å; W87-Q135 HydrophobicContact CZ2-CB 4.1Å; L131-Q135 WeakPolarHBondContact O-CB 3.43Å; L131-Q135 PolarHBondContact O-N 3.44Å; F132-Q135 WeakPolarHBondContact O-CB 3.17Å; F132-Q135 PolarHBondContact O-N 3.43Å; Q135-Q138 PolarHBondContact O-N 3.25Å |
| 136 | C | 87.3 | Confident | 79 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 175.6 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | F132 T133 Q138 V139 V150 P154 | F132-C136 WeakPolarHBondContact O-CB 3.36Å; F132-C136 PolarHBondContact O-N 3.45Å; F132-C136 PolarHBondContact O-SG 3Å; T133-C136 PolarHBondContact O-N 3.49Å; C136-Q138 PolarHBondContact O-N 3.5Å; C136-V139 PolarHBondContact O-N 3.44Å; C136-V150 HydrophobicContact CB-CG1 3.63Å; C136-V150 WeakPolarHBondContact O-CG1 3.32Å; C136-P154 HydrophobicContact CB-CG 4.07Å |
| 137 | R | 85.2 | Confident | 77.6 | Confident | 105 Ų | 105 | 63 Ų | 63 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.3 | -34.1 | 178.1 | -174.1 | -171.9 | -176.5 | -166.8 | 18.6 | 113.4 | T133 A134 H181 Y183 | T133-R137 WeakPolarHBondContact O-CB 3.38Å; T133-R137 PolarHBondContact O-N 3.48Å; A134-R137 PolarHBondContact O-N 2.86Å; R137-H181 PolarHBondContact NH1-O 3.03Å; R137-H181 PolarHBondContact NH2-O 2.91Å; R137-Y183 VanDerWaalsContact NH1-C 3.25Å; R137-Y183 PolarHBondContact NH1-O 3.39Å |
| 138 | Q | 80.6 | Confident | 76.4 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.7 | 178.9 | -77.8 | -176.9 | -8.3 | 0 | 0 | 114.8 | R86 A134 Q135 C136 T140 | R86-Q138 VanDerWaalsContact CD-OE1 3.29Å; A134-Q138 WeakPolarHBondContact O-CG 3.32Å; A134-Q138 PolarHBondContact O-N 3.44Å; Q135-Q138 PolarHBondContact O-N 3.25Å; C136-Q138 PolarHBondContact O-N 3.5Å; Q138-T140 PolarHBondContact O-N 3Å |
| 139 | V | 76.6 | Confident | 75.7 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 13% | 0.127 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -84.5 | 102.5 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | F12 C136 Q141 R142 V150 | F12-V139 HydrophobicContact CD1-CG2 3.87Å; F12-V139 HydrophobicContact CE1-CG2 3.74Å; C136-V139 PolarHBondContact O-N 3.44Å; V139-Q141 PolarHBondContact O-N 3.45Å; V139-R142 HydrophobicContact CG1-CB 4.04Å; V139-R142 HydrophobicContact CG1-CG 4.26Å; V139-V150 HydrophobicContact CB-CG1 4.36Å |
| 140 | T | 57.1 | Low | 75 | Confident | 128 Ų | 128 | 68 Ų | 68 | 79% | 0.785 | 33% | 0.331 | S | S | * | . | trans | -59.7 | 97.2 | 179 | -42.6 | 0 | 0 | 0 | 0 | 111.8 | Q138 R142 | Q138-T140 PolarHBondContact O-N 3Å; T140-R142 PolarHBondContact O-N 3.14Å; T140-R142 VanDerWaalsContact O-N 3.09Å | ||
| 141 | Q | 54 | Low | 74.3 | Confident | 168 Ų | 168 | 75.3 Ų | 75.3 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 40.3 | 49.9 | 166.1 | -66.8 | -64.8 | -5.7 | 0 | 0 | 116.6 | V139 | V139-Q141 PolarHBondContact O-N 3.45Š|
| 142 | R | 58.4 | Low | 73.9 | Confident | 141 Ų | 141 | 79.8 Ų | 79.8 | 53% | 0.532 | 38% | 0.378 | S | S | . | . | trans | -95.5 | 124.1 | 164.9 | -65.1 | -179.1 | 175.3 | -157.4 | -1 | 109 | V139 T140 L144 V150 | V139-R142 HydrophobicContact CG1-CB 4.04Å; V139-R142 HydrophobicContact CG1-CG 4.26Å; T140-R142 PolarHBondContact O-N 3.14Å; T140-R142 VanDerWaalsContact O-N 3.09Å; R142-L144 PolarHBondContact O-N 3.36Å; R142-V150 WeakPolarHBondContact O-CG2 3.44Å | ||
| 143 | K | 57.8 | Low | 73.7 | Confident | 154 Ų | 154 | 80.4 Ų | 80.4 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 109.5 | 172.7 | -67.8 | -171.3 | 179.6 | -174.6 | 0 | 109.3 | R146 V148 | K143-R146 WeakPolarHBondContact CD-O 3.45Å; K143-R146 PolarHBondContact O-N 2.91Å; K143-R146 VanDerWaalsContact O-N 3.16Å; K143-V148 CarbonylContact C-O 3.58Å |
| 144 | L | 56.5 | Low | 73.6 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 135.6 | 177.3 | -168.7 | 65.1 | 0 | 0 | 0 | 109 | F12 R142 R146 C147 V148 V150 L153 | F12-L144 HydrophobicContact CE2-CD1 3.94Å; F12-L144 HydrophobicContact CE2-CD2 4.31Å; F12-L144 HydrophobicContact CZ-CD1 4.44Å; F12-L144 HydrophobicContact CZ-CD2 4.36Å; R142-L144 PolarHBondContact O-N 3.36Å; L144-R146 PolarHBondContact O-N 2.8Å; L144-C147 PolarHBondContact O-N 3.08Å; L144-V148 PolarHBondContact N-O 3.05Å; L144-V148 PolarHBondContact O-N 3.16Å; L144-V150 HydrophobicContact CB-CG2 3.89Å; L144-L153 HydrophobicContact CD2-CD1 4.3Å; L144-L153 HydrophobicContact CD2-CD2 3.57Å |
| 145 | L | 56.2 | Low | 73.5 | Confident | 139 Ų | 139 | 84.2 Ų | 84.2 | 73% | 0.728 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 20.1 | -171.9 | -112.1 | 72.8 | 0 | 0 | 0 | 114.7 | C147 | L145-C147 PolarHBondContact O-N 3.21Š|
| 146 | R | 58.8 | Low | 73.5 | Confident | 224 Ų | 224 | 87.4 Ų | 87.4 | 85% | 0.845 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -23.5 | -173.7 | -139.7 | 176.1 | -166.8 | 173.1 | 2.9 | 115.1 | K143 L144 | K143-R146 WeakPolarHBondContact CD-O 3.45Å; K143-R146 PolarHBondContact O-N 2.91Å; K143-R146 VanDerWaalsContact O-N 3.16Å; L144-R146 PolarHBondContact O-N 2.8Å |
| 147 | C | 63.6 | Low | 73.6 | Confident | 113 Ų | 113 | 87.9 Ų | 87.9 | 76% | 0.764 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -29.3 | -174.3 | -59.5 | 0 | 0 | 0 | 0 | 115 | L144 L145 | L144-C147 PolarHBondContact O-N 3.08Å; L145-C147 PolarHBondContact O-N 3.21Å |
| 148 | V | 68.1 | Low | 73.8 | Confident | 46 Ų | 46 | 84.4 Ų | 84.4 | 28% | 0.279 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.9 | -172 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | K143 L144 F152 L156 | K143-V148 CarbonylContact C-O 3.58Å; L144-V148 PolarHBondContact N-O 3.05Å; L144-V148 PolarHBondContact O-N 3.16Å; V148-F152 HydrophobicContact CG1-CD1 4.43Å; V148-L156 HydrophobicContact CG1-CD1 4.21Å |
| 149 | P | 77.6 | Confident | 74.3 | Confident | 68 Ų | 68 | 87.3 Ų | 87.3 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 132.3 | 171 | 29.8 | -32.4 | 0 | 0 | 0 | 110.1 | W151 F152 | P149-W151 PolarHBondContact O-N 3.46Å; P149-W151 VanDerWaalsContact O-N 3.08Å; P149-F152 HydrophobicContact CG-CB 4.03Å; P149-F152 WeakPolarHBondContact O-CB 3.48Å; P149-F152 PolarHBondContact O-N 2.93Å |
| 150 | V | 81 | Confident | 74.8 | Confident | 8 Ų | 8 | 90.1 Ų | 90.1 | 5% | 0.048 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -59.1 | -25.8 | -175.5 | 165.4 | 0 | 0 | 0 | 0 | 113.3 | C136 V139 R142 L144 F152 L153 P154 | C136-V150 HydrophobicContact CB-CG1 3.63Å; C136-V150 WeakPolarHBondContact O-CG1 3.32Å; V139-V150 HydrophobicContact CB-CG1 4.36Å; R142-V150 WeakPolarHBondContact O-CG2 3.44Å; L144-V150 HydrophobicContact CB-CG2 3.89Å; V150-F152 VanDerWaalsContact C-N 3.26Å; V150-F152 PolarHBondContact O-N 3.11Å; V150-L153 VanDerWaalsContact O-CB 3.29Å; V150-L153 WeakPolarHBondContact O-CB 3.25Å; V150-L153 PolarHBondContact O-N 3.21Å; V150-P154 WeakPolarHBondContact O-CD 3.06Å |
| 151 | W | 80.5 | Confident | 76.3 | Confident | 155 Ų | 155 | 84 Ų | 84 | 59% | 0.587 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -66.7 | -22.6 | 173.8 | -174.3 | 71.9 | 0 | 0 | 0 | 114.2 | P149 P154 W155 H181 | P149-W151 PolarHBondContact O-N 3.46Å; P149-W151 VanDerWaalsContact O-N 3.08Å; W151-P154 WeakPolarHBondContact O-CD 3.29Å; W151-W155 AromaticContact CH2-NE1 3.88Å; W151-W155 HydrophobicContact CZ2-CZ2 4.43Å; W151-W155 AromaticContact CZ2-NE1 3.77Å; W151-H181 AromaticContact CD1-NE2 3.67Å; W151-H181 AromaticContact NE1-CE1 3.9Å; W151-H181 AromaticContact NE1-NE2 3Å; W151-H181 PolarHBondContact NE1-NE2 3.45Å |
| 152 | F | 86 | Confident | 77.9 | Confident | 98 Ų | 98 | 80.3 Ų | 80.3 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -81.8 | -17.6 | 174.9 | -168.8 | -118 | 0 | 0 | 0 | 113 | V148 P149 V150 W155 L156 | V148-F152 HydrophobicContact CG1-CD1 4.43Å; P149-F152 HydrophobicContact CG-CB 4.03Å; P149-F152 WeakPolarHBondContact O-CB 3.48Å; P149-F152 PolarHBondContact O-N 2.93Å; V150-F152 VanDerWaalsContact C-N 3.26Å; V150-F152 PolarHBondContact O-N 3.11Å; F152-W155 HydrophobicContact CD2-CB 4.14Å; F152-W155 HydrophobicContact CE2-CB 4.11Å; F152-W155 WeakPolarHBondContact O-CB 3.32Å; F152-W155 PolarHBondContact O-N 3.45Å; F152-L156 HydrophobicContact CD1-CD1 3.77Å; F152-L156 HydrophobicContact CD1-CD2 4.34Å; F152-L156 HydrophobicContact CD1-CG 3.77Å; F152-L156 HydrophobicContact CE1-CD1 4Å; F152-L156 HydrophobicContact CE1-CD2 3.72Å; F152-L156 HydrophobicContact CE1-CG 3.64Å; F152-L156 HydrophobicContact CZ-CD2 4.43Å; F152-L156 HydrophobicContact CZ-CG 4.45Å; F152-L156 PolarHBondContact O-N 3.25Å; F152-L156 VanDerWaalsContact O-N 3.15Å |
| 153 | L | 88.2 | Confident | 79.2 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 17% | 0.173 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -36.2 | -173.4 | -160.5 | 65.4 | 0 | 0 | 0 | 114.2 | F132 L144 V150 W155 L156 L157 | F132-L153 HydrophobicContact CE1-CB 4.38Å; F132-L153 HydrophobicContact CE1-CD2 4.17Å; F132-L153 HydrophobicContact CE1-CG 3.85Å; F132-L153 HydrophobicContact CE2-CD2 4.35Å; F132-L153 HydrophobicContact CZ-CD2 3.5Å; F132-L153 VanDerWaalsContact CZ-CD2 3.5Å; F132-L153 HydrophobicContact CZ-CG 3.65Å; L144-L153 HydrophobicContact CD2-CD1 4.3Å; L144-L153 HydrophobicContact CD2-CD2 3.57Å; V150-L153 VanDerWaalsContact O-CB 3.29Å; V150-L153 WeakPolarHBondContact O-CB 3.25Å; V150-L153 PolarHBondContact O-N 3.21Å; L153-W155 VanDerWaalsContact C-N 3.34Å; L153-W155 PolarHBondContact O-N 3.25Å; L153-L156 HydrophobicContact CD1-CD1 4.25Å; L153-L156 PolarHBondContact O-N 2.98Å; L153-L157 PolarHBondContact O-N 2.89Å; L153-L157 VanDerWaalsContact O-N 3.07Å |
| 154 | P | 90.1 | Very high | 80.4 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.013 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.2 | -38 | 167.6 | -32 | 40.5 | 0 | 0 | 0 | 115.3 | T133 C136 V150 W151 L157 L158 | T133-P154 HydrophobicContact CG2-CB 3.58Å; T133-P154 HydrophobicContact CG2-CG 3.87Å; C136-P154 HydrophobicContact CB-CG 4.07Å; V150-P154 WeakPolarHBondContact O-CD 3.06Å; W151-P154 WeakPolarHBondContact O-CD 3.29Å; P154-L157 PolarHBondContact O-N 3.3Å; P154-L158 PolarHBondContact O-N 3.3Å |
| 155 | W | 90.7 | Very high | 81.6 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 30% | 0.295 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.1 | -31.5 | -178.6 | -57 | 98 | 0 | 0 | 0 | 111.5 | W151 F152 L153 L158 L159 F174 I177 | W151-W155 AromaticContact CH2-NE1 3.88Å; W151-W155 HydrophobicContact CZ2-CZ2 4.43Å; W151-W155 AromaticContact CZ2-NE1 3.77Å; F152-W155 HydrophobicContact CD2-CB 4.14Å; F152-W155 HydrophobicContact CE2-CB 4.11Å; F152-W155 WeakPolarHBondContact O-CB 3.32Å; F152-W155 PolarHBondContact O-N 3.45Å; L153-W155 VanDerWaalsContact C-N 3.34Å; L153-W155 PolarHBondContact O-N 3.25Å; W155-L158 HydrophobicContact CE3-CD2 3.92Å; W155-L158 HydrophobicContact CZ3-CD2 4.27Å; W155-L159 PolarHBondContact O-N 3.03Å; W155-L159 VanDerWaalsContact O-N 3.08Å; W155-F174 HydrophobicContact CH2-CD2 4.38Å; W155-F174 HydrophobicContact CH2-CE2 4.02Å; W155-F174 HydrophobicContact CZ3-CD2 4.19Å; W155-F174 HydrophobicContact CZ3-CE2 4.17Å; W155-I177 HydrophobicContact CD2-CD1 4.34Å; W155-I177 HydrophobicContact CE3-CD1 3.94Å; W155-I177 HydrophobicContact CH2-CD1 4.44Å; W155-I177 HydrophobicContact CH2-CG2 4.27Å; W155-I177 HydrophobicContact CZ2-CG2 4.13Å; W155-I177 HydrophobicContact CZ3-CD1 3.99Å |
| 156 | L | 90 | Very high | 82.4 | Confident | 69 Ų | 69 | 72.7 Ų | 72.7 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 167.1 | -72.1 | 169.6 | 0 | 0 | 0 | 112.1 | V148 F152 L153 L159 L160 | V148-L156 HydrophobicContact CG1-CD1 4.21Å; F152-L156 HydrophobicContact CD1-CD1 3.77Å; F152-L156 HydrophobicContact CD1-CD2 4.34Å; F152-L156 HydrophobicContact CD1-CG 3.77Å; F152-L156 HydrophobicContact CE1-CD1 4Å; F152-L156 HydrophobicContact CE1-CD2 3.72Å; F152-L156 HydrophobicContact CE1-CG 3.64Å; F152-L156 HydrophobicContact CZ-CD2 4.43Å; F152-L156 HydrophobicContact CZ-CG 4.45Å; F152-L156 PolarHBondContact O-N 3.25Å; F152-L156 VanDerWaalsContact O-N 3.15Å; L153-L156 HydrophobicContact CD1-CD1 4.25Å; L153-L156 PolarHBondContact O-N 2.98Å; L156-L159 PolarHBondContact O-N 3.43Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 PolarHBondContact O-N 3.46Å |
| 157 | L | 88.1 | Confident | 82.9 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.6 | -33.4 | 177.1 | -172.3 | 60.5 | 0 | 0 | 0 | 112.4 | L75 L129 F132 L153 P154 L160 N161 | L75-L157 HydrophobicContact CD1-CD1 4.39Å; L129-L157 HydrophobicContact CD1-CB 4.02Å; L129-L157 HydrophobicContact CD1-CD2 3.87Å; L129-L157 HydrophobicContact CD1-CG 4.02Å; F132-L157 HydrophobicContact CB-CD2 4.22Å; F132-L157 HydrophobicContact CD1-CB 4.3Å; F132-L157 HydrophobicContact CD1-CD2 3.39Å; F132-L157 HydrophobicContact CD1-CG 4.48Å; F132-L157 HydrophobicContact CE1-CB 4.15Å; F132-L157 HydrophobicContact CE1-CD2 3.8Å; F132-L157 HydrophobicContact CG-CD2 3.92Å; L153-L157 PolarHBondContact O-N 2.89Å; L153-L157 VanDerWaalsContact O-N 3.07Å; P154-L157 PolarHBondContact O-N 3.3Å; L157-L160 HydrophobicContact CD1-CD2 4.11Å; L157-L160 PolarHBondContact O-N 2.82Å; L157-N161 WeakPolarHBondContact O-CB 3.44Å; L157-N161 VanDerWaalsContact O-CG 3.31Å; L157-N161 PolarHBondContact O-N 3.42Å |
| 158 | L | 90.2 | Very high | 83.7 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -49 | 168.9 | 172.3 | 68.6 | 0 | 0 | 0 | 111.5 | P154 W155 L160 N161 L162 H173 I177 | P154-L158 PolarHBondContact O-N 3.3Å; W155-L158 HydrophobicContact CE3-CD2 3.92Å; W155-L158 HydrophobicContact CZ3-CD2 4.27Å; L158-L160 VanDerWaalsContact C-N 3.31Å; L158-L160 PolarHBondContact O-N 3.48Å; L158-N161 PolarHBondContact O-N 2.91Å; L158-L162 WeakPolarHBondContact O-CB 3.38Å; L158-L162 PolarHBondContact O-N 2.95Å; L158-H173 HydrophobicContact CD1-CB 3.32Å; L158-I177 HydrophobicContact CB-CD1 4.12Å; L158-I177 HydrophobicContact CD2-CD1 3.88Å; L158-I177 HydrophobicContact CG-CD1 4.42Å |
| 159 | L | 90.1 | Very high | 84.5 | Confident | 106 Ų | 106 | 59.5 Ų | 59.5 | 56% | 0.555 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 178.5 | -172 | 67.6 | 0 | 0 | 0 | 111.3 | W155 L156 L162 V163 | W155-L159 PolarHBondContact O-N 3.03Å; W155-L159 VanDerWaalsContact O-N 3.08Å; L156-L159 PolarHBondContact O-N 3.43Å; L159-L162 PolarHBondContact O-N 3.15Å; L159-V163 WeakPolarHBondContact O-CG2 3.36Å; L159-V163 PolarHBondContact O-N 2.81Å |
| 160 | L | 88.3 | Confident | 84.9 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 174.7 | -172 | 70.2 | 0 | 0 | 0 | 111.9 | Y71 L156 L157 L158 L162 V163 L164 | Y71-L160 HydrophobicContact CE2-CD2 4.38Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 PolarHBondContact O-N 3.46Å; L157-L160 HydrophobicContact CD1-CD2 4.11Å; L157-L160 PolarHBondContact O-N 2.82Å; L158-L160 VanDerWaalsContact C-N 3.31Å; L158-L160 PolarHBondContact O-N 3.48Å; L160-L162 VanDerWaalsContact C-N 3.3Å; L160-L162 PolarHBondContact O-N 2.93Å; L160-V163 PolarHBondContact O-N 2.85Å; L160-L164 HydrophobicContact CD1-CD1 3.74Å; L160-L164 HydrophobicContact CD1-CD2 4.28Å; L160-L164 HydrophobicContact CG-CD1 4.31Å; L160-L164 HydrophobicContact CG-CD2 4.32Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 PolarHBondContact O-N 3.48Å |
| 161 | N | 87.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 175.5 | -78.6 | -2.9 | 0 | 0 | 0 | 111.4 | Y71 L157 L158 V163 L164 L165 H173 | Y71-N161 WeakPolarHBondContact CE1-OD1 3.43Å; Y71-N161 PolarHBondContact OH-OD1 3.26Å; L157-N161 WeakPolarHBondContact O-CB 3.44Å; L157-N161 VanDerWaalsContact O-CG 3.31Å; L157-N161 PolarHBondContact O-N 3.42Å; L158-N161 PolarHBondContact O-N 2.91Å; N161-V163 VanDerWaalsContact C-N 3.3Å; N161-V163 PolarHBondContact O-N 3.48Å; N161-L164 PolarHBondContact O-N 2.91Å; N161-L165 WeakPolarHBondContact O-CA 3.17Å; N161-L165 WeakPolarHBondContact O-CB 3.33Å; N161-L165 PolarHBondContact O-N 2.83Å; N161-H173 PolarHBondContact ND2-CE1 3.33Å; N161-H173 PolarHBondContact ND2-ND1 3.49Å |
| 162 | L | 87.6 | Confident | 85.7 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -29.6 | -179.7 | -170.7 | 64.4 | 0 | 0 | 0 | 113.1 | L158 L159 L160 | L158-L162 WeakPolarHBondContact O-CB 3.38Å; L158-L162 PolarHBondContact O-N 2.95Å; L159-L162 PolarHBondContact O-N 3.15Å; L160-L162 VanDerWaalsContact C-N 3.3Å; L160-L162 PolarHBondContact O-N 2.93Å |
| 163 | V | 85.8 | Confident | 86 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 64% | 0.642 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -85.4 | -35.4 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | L159 L160 N161 | L159-V163 WeakPolarHBondContact O-CG2 3.36Å; L159-V163 PolarHBondContact O-N 2.81Å; L160-V163 PolarHBondContact O-N 2.85Å; N161-V163 VanDerWaalsContact C-N 3.3Å; N161-V163 PolarHBondContact O-N 3.48Å |
| 164 | L | 82.9 | Confident | 86.2 | Confident | 90 Ų | 90 | 51 Ų | 51 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -90.2 | -22.9 | -177.7 | -89.7 | 62 | 0 | 0 | 0 | 114.1 | Y71 L160 N161 P166 | Y71-L164 HydrophobicContact CD2-CD2 3.68Å; Y71-L164 HydrophobicContact CE2-CD2 3.57Å; L160-L164 HydrophobicContact CD1-CD1 3.74Å; L160-L164 HydrophobicContact CD1-CD2 4.28Å; L160-L164 HydrophobicContact CG-CD1 4.31Å; L160-L164 HydrophobicContact CG-CD2 4.32Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 PolarHBondContact O-N 3.48Å; N161-L164 PolarHBondContact O-N 2.91Å; L164-P166 VanDerWaalsContact C-CD 3.49Å |
| 165 | L | 82.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | trans | -131 | 64.9 | -177.8 | -61.9 | 92.4 | 0 | 0 | 0 | 110.5 | Y71 N161 S167 T168 | Y71-L165 HydrophobicContact CD1-CD1 3.51Å; Y71-L165 HydrophobicContact CD1-CD2 4.34Å; Y71-L165 HydrophobicContact CD1-CG 4.5Å; Y71-L165 HydrophobicContact CE1-CD1 3.52Å; Y71-L165 HydrophobicContact CG-CD1 4.14Å; N161-L165 WeakPolarHBondContact O-CA 3.17Å; N161-L165 WeakPolarHBondContact O-CB 3.33Å; N161-L165 PolarHBondContact O-N 2.83Å; L165-S167 PolarHBondContact O-N 3.32Å; L165-S167 VanDerWaalsContact O-N 3.12Å; L165-T168 HydrophobicContact CB-CG2 4.05Å; L165-T168 WeakPolarHBondContact CB-OG1 3.45Å; L165-T168 HydrophobicContact CD2-CG2 4.23Å; L165-T168 PolarHBondContact O-N 3.33Å; L165-T168 PolarHBondContact O-OG1 2.97Å | ||
| 166 | P | 71.8 | Confident | 86.5 | Confident | 106 Ų | 106 | 47.3 Ų | 47.3 | 69% | 0.688 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.3 | 179.5 | 28 | -36.5 | 0 | 0 | 0 | 113 | L164 T168 | L164-P166 VanDerWaalsContact C-CD 3.49Å; P166-T168 VanDerWaalsContact C-N 3.25Å; P166-T168 PolarHBondContact O-N 3.3Å |
| 167 | S | 70.9 | Confident | 86.7 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.3 | 171.9 | 41 | 0 | 0 | 0 | 0 | 114.3 | E65 L165 | E65-S167 PolarHBondContact OE1-OG 3.45Å; L165-S167 PolarHBondContact O-N 3.32Å; L165-S167 VanDerWaalsContact O-N 3.12Å |
| 168 | T | 79.4 | Confident | 86.9 | Confident | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -110.4 | 130 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | L165 P166 G170 H173 | L165-T168 HydrophobicContact CB-CG2 4.05Å; L165-T168 WeakPolarHBondContact CB-OG1 3.45Å; L165-T168 HydrophobicContact CD2-CG2 4.23Å; L165-T168 PolarHBondContact O-N 3.33Å; L165-T168 PolarHBondContact O-OG1 2.97Å; P166-T168 VanDerWaalsContact C-N 3.25Å; P166-T168 PolarHBondContact O-N 3.3Å; T168-G170 PolarHBondContact O-N 3.3Å; T168-H173 PolarHBondContact OG1-NE2 3.07Å |
| 169 | P | 84.6 | Confident | 87.2 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | trans | -69.6 | 127.4 | -173 | 24.1 | -32 | 0 | 0 | 0 | 112.7 | Y107 V121 L171 L172 H173 | Y107-P169 HydrophobicContact CE1-CB 4.34Å; Y107-P169 HydrophobicContact CE1-CG 3.74Å; Y107-P169 WeakPolarHBondContact OH-CB 3.34Å; Y107-P169 WeakPolarHBondContact OH-CG 3.42Å; V121-P169 HydrophobicContact CG2-CG 3.97Å; P169-L171 PolarHBondContact O-N 3.47Å; P169-L172 HydrophobicContact CG-CB 4.03Å; P169-L172 WeakPolarHBondContact O-CB 3.44Å; P169-L172 PolarHBondContact O-N 3.22Å; P169-H173 PolarHBondContact O-CD2 2.91Å | ||
| 170 | G | 85.8 | Confident | 87.3 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 32% | 0.32 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.3 | -30.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T168 L172 H173 F174 | T168-G170 PolarHBondContact O-N 3.3Å; G170-L172 PolarHBondContact O-N 2.81Å; G170-H173 PolarHBondContact O-N 3.13Å; G170-F174 PolarHBondContact O-N 3.06Å |
| 171 | L | 88.6 | Confident | 87.4 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 175.4 | -71.9 | 175.5 | 0 | 0 | 0 | 112.9 | Y107 P169 F174 C175 | Y107-L171 HydrophobicContact CD2-CB 4.11Å; Y107-L171 HydrophobicContact CE2-CB 3.55Å; Y107-L171 HydrophobicContact CE2-CD1 4.32Å; P169-L171 PolarHBondContact O-N 3.47Å; L171-F174 WeakPolarHBondContact O-CB 3.32Å; L171-F174 PolarHBondContact O-N 3.14Å; L171-C175 PolarHBondContact O-N 3.11Å; L171-C175 PolarHBondContact O-SG 3.04Å; L171-C175 VanDerWaalsContact O-SG 3.34Å |
| 172 | L | 91.1 | Very high | 87.7 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 175.1 | 179.7 | 72.3 | 0 | 0 | 0 | 111.3 | L103 Y107 V121 A126 P169 G170 F174 C175 A176 | L103-L172 HydrophobicContact CB-CD1 4.2Å; L103-L172 HydrophobicContact CD2-CD1 3.83Å; L103-L172 HydrophobicContact CD2-CG 4.37Å; Y107-L172 HydrophobicContact CD1-CB 4.07Å; Y107-L172 HydrophobicContact CD1-CD1 3.8Å; Y107-L172 HydrophobicContact CD1-CG 4.45Å; Y107-L172 HydrophobicContact CE1-CB 4.22Å; Y107-L172 HydrophobicContact CG-CB 4.23Å; Y107-L172 HydrophobicContact CG-CD1 3.96Å; V121-L172 HydrophobicContact CB-CD2 4.42Å; V121-L172 HydrophobicContact CG1-CD2 3.42Å; V121-L172 VanDerWaalsContact CG1-CD2 3.42Å; V121-L172 HydrophobicContact CG2-CD2 4.09Å; A126-L172 HydrophobicContact CB-CD2 3.95Å; A126-L172 HydrophobicContact CB-CG 3.83Å; P169-L172 HydrophobicContact CG-CB 4.03Å; P169-L172 WeakPolarHBondContact O-CB 3.44Å; P169-L172 PolarHBondContact O-N 3.22Å; G170-L172 PolarHBondContact O-N 2.81Å; L172-F174 VanDerWaalsContact C-N 3.32Å; L172-C175 WeakPolarHBondContact O-CB 3.26Å; L172-C175 PolarHBondContact O-N 3.24Å; L172-A176 PolarHBondContact O-N 2.78Å |
| 173 | H | 92.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.3 | -32.8 | 173.8 | -67.1 | -76.1 | 0 | 0 | 0 | 112.1 | S125 L129 L158 N161 T168 P169 G170 A176 I177 | S125-H173 PolarHBondContact OG-CE1 3.03Å; L129-H173 HydrophobicContact CD2-CB 3.74Å; L129-H173 WeakPolarHBondContact CD2-O 3.47Å; L158-H173 HydrophobicContact CD1-CB 3.32Å; N161-H173 PolarHBondContact ND2-CE1 3.33Å; N161-H173 PolarHBondContact ND2-ND1 3.49Å; T168-H173 PolarHBondContact OG1-NE2 3.07Å; P169-H173 PolarHBondContact O-CD2 2.91Å; G170-H173 PolarHBondContact O-N 3.13Å; H173-A176 WeakPolarHBondContact O-CB 3.38Å; H173-A176 PolarHBondContact O-N 3.4Å; H173-I177 WeakPolarHBondContact O-CG1 3.18Å; H173-I177 PolarHBondContact O-N 3.17Å |
| 174 | F | 91.6 | Very high | 88.1 | Confident | 78 Ų | 78 | 42.8 Ų | 42.8 | 34% | 0.342 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 170 | -176.8 | -102.8 | 0 | 0 | 0 | 111.7 | W155 G170 L171 L172 A176 I177 L178 | W155-F174 HydrophobicContact CH2-CD2 4.38Å; W155-F174 HydrophobicContact CH2-CE2 4.02Å; W155-F174 HydrophobicContact CZ3-CD2 4.19Å; W155-F174 HydrophobicContact CZ3-CE2 4.17Å; G170-F174 PolarHBondContact O-N 3.06Å; L171-F174 WeakPolarHBondContact O-CB 3.32Å; L171-F174 PolarHBondContact O-N 3.14Å; L172-F174 VanDerWaalsContact C-N 3.32Å; F174-A176 VanDerWaalsContact C-N 3.28Å; F174-A176 PolarHBondContact O-N 3.42Å; F174-I177 WeakPolarHBondContact O-CB 3Å; F174-I177 PolarHBondContact O-N 2.95Å; F174-I177 VanDerWaalsContact O-N 3.12Å; F174-L178 HydrophobicContact CD1-CD1 4.09Å; F174-L178 HydrophobicContact CD1-CG 4.47Å; F174-L178 HydrophobicContact CE1-CD1 3.75Å; F174-L178 HydrophobicContact CE1-CG 4.23Å; F174-L178 HydrophobicContact CZ-CD1 4.46Å; F174-L178 HydrophobicContact CZ-CD2 4.43Å; F174-L178 PolarHBondContact O-N 3.48Å; F174-L178 VanDerWaalsContact O-N 3.1Å |
| 175 | C | 92.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.2 | -40.7 | 171.4 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | L103 L171 L172 I177 L178 I179 | L103-C175 HydrophobicContact CD2-CB 4.12Å; L171-C175 PolarHBondContact O-N 3.11Å; L171-C175 PolarHBondContact O-SG 3.04Å; L171-C175 VanDerWaalsContact O-SG 3.34Å; L172-C175 WeakPolarHBondContact O-CB 3.26Å; L172-C175 PolarHBondContact O-N 3.24Å; C175-I177 PolarHBondContact O-N 2.88Å; C175-L178 WeakPolarHBondContact O-CB 3.5Å; C175-L178 PolarHBondContact O-N 2.98Å; C175-L178 VanDerWaalsContact O-N 3.16Å; C175-I179 VanDerWaalsContact O-CG1 3.28Å; C175-I179 WeakPolarHBondContact O-CG1 3.33Å; C175-I179 PolarHBondContact O-N 3.24Å |
| 176 | A | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L103 A126 L129 A130 L172 H173 F174 L178 I179 G180 | L103-A176 HydrophobicContact CD2-CB 3.98Å; A126-A176 HydrophobicContact CB-CB 4.22Å; A126-A176 WeakPolarHBondContact O-CB 3.36Å; L129-A176 HydrophobicContact CB-CB 4.29Å; L129-A176 HydrophobicContact CD2-CB 4.28Å; L129-A176 HydrophobicContact CG-CB 4.26Å; A130-A176 WeakPolarHBondContact CA-O 3.25Å; A130-A176 HydrophobicContact CB-CB 3.95Å; A130-A176 WeakPolarHBondContact CB-O 3.31Å; L172-A176 PolarHBondContact O-N 2.78Å; H173-A176 WeakPolarHBondContact O-CB 3.38Å; H173-A176 PolarHBondContact O-N 3.4Å; F174-A176 VanDerWaalsContact C-N 3.28Å; F174-A176 PolarHBondContact O-N 3.42Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 2.9Å; A176-I179 PolarHBondContact O-N 2.73Å; A176-G180 PolarHBondContact O-N 2.96Å |
| 177 | I | 94.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 174.9 | -63.4 | 172.5 | 0 | 0 | 0 | 110.5 | L129 T133 W155 L158 H173 F174 C175 H181 | L129-I177 HydrophobicContact CD1-CG1 4.44Å; L129-I177 HydrophobicContact CD2-CG1 4.1Å; L129-I177 HydrophobicContact CG-CG1 4.24Å; T133-I177 HydrophobicContact CG2-CB 4.23Å; T133-I177 HydrophobicContact CG2-CG1 3.93Å; T133-I177 HydrophobicContact CG2-CG2 4.35Å; W155-I177 HydrophobicContact CD2-CD1 4.34Å; W155-I177 HydrophobicContact CE3-CD1 3.94Å; W155-I177 HydrophobicContact CH2-CD1 4.44Å; W155-I177 HydrophobicContact CH2-CG2 4.27Å; W155-I177 HydrophobicContact CZ2-CG2 4.13Å; W155-I177 HydrophobicContact CZ3-CD1 3.99Å; L158-I177 HydrophobicContact CB-CD1 4.12Å; L158-I177 HydrophobicContact CD2-CD1 3.88Å; L158-I177 HydrophobicContact CG-CD1 4.42Å; H173-I177 WeakPolarHBondContact O-CG1 3.18Å; H173-I177 PolarHBondContact O-N 3.17Å; F174-I177 WeakPolarHBondContact O-CB 3Å; F174-I177 PolarHBondContact O-N 2.95Å; F174-I177 VanDerWaalsContact O-N 3.12Å; C175-I177 PolarHBondContact O-N 2.88Å; I177-H181 WeakPolarHBondContact CG2-ND1 3.37Å; I177-H181 WeakPolarHBondContact O-CB 3.32Å; I177-H181 PolarHBondContact O-N 3.3Å; I177-H181 PolarHBondContact O-ND1 2.95Å |
| 178 | L | 93.1 | Very high | 90.4 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 40% | 0.403 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.3 | -63 | 178.9 | 0 | 0 | 0 | 112.5 | F174 C175 A176 H181 N182 | F174-L178 HydrophobicContact CD1-CD1 4.09Å; F174-L178 HydrophobicContact CD1-CG 4.47Å; F174-L178 HydrophobicContact CE1-CD1 3.75Å; F174-L178 HydrophobicContact CE1-CG 4.23Å; F174-L178 HydrophobicContact CZ-CD1 4.46Å; F174-L178 HydrophobicContact CZ-CD2 4.43Å; F174-L178 PolarHBondContact O-N 3.48Å; F174-L178 VanDerWaalsContact O-N 3.1Å; C175-L178 WeakPolarHBondContact O-CB 3.5Å; C175-L178 PolarHBondContact O-N 2.98Å; C175-L178 VanDerWaalsContact O-N 3.16Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 2.9Å; L178-H181 PolarHBondContact O-N 3.19Å; L178-N182 PolarHBondContact O-N 3.38Å; L178-N182 VanDerWaalsContact O-N 3.09Å; L178-N182 PolarHBondContact O-ND2 2.9Å |
| 179 | I | 94.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -50.9 | 179.5 | -69.1 | 162.2 | 0 | 0 | 0 | 110.7 | L102 L103 L106 C175 A176 H181 N182 Y183 | L102-I179 HydrophobicContact CB-CD1 4.26Å; L103-I179 HydrophobicContact CB-CD1 4.36Å; L103-I179 HydrophobicContact CD2-CD1 3.62Å; L103-I179 HydrophobicContact CG-CD1 3.63Å; L106-I179 HydrophobicContact CD1-CD1 3.71Å; L106-I179 HydrophobicContact CD1-CG1 3.54Å; C175-I179 VanDerWaalsContact O-CG1 3.28Å; C175-I179 WeakPolarHBondContact O-CG1 3.33Å; C175-I179 PolarHBondContact O-N 3.24Å; A176-I179 PolarHBondContact O-N 2.73Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 PolarHBondContact O-N 2.75Å; I179-N182 WeakPolarHBondContact O-CA 3.27Å; I179-N182 WeakPolarHBondContact O-CB 3.22Å; I179-N182 PolarHBondContact O-N 3.39Å; I179-Y183 HydrophobicContact CG2-CE1 4.1Å; I179-Y183 HydrophobicContact CG2-CE2 4Å; I179-Y183 WeakPolarHBondContact CG2-OH 3.38Å; I179-Y183 PolarHBondContact O-N 2.95Å |
| 180 | G | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.9 | -25 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A130 T133 A176 N182 Y183 | A130-G180 WeakPolarHBondContact O-CA 3.47Å; T133-G180 WeakPolarHBondContact OG1-CA 3.3Å; A176-G180 PolarHBondContact O-N 2.96Å; G180-N182 PolarHBondContact O-N 3.15Å; G180-Y183 PolarHBondContact O-N 3.14Å |
| 181 | H | 91.2 | Very high | 91.1 | Very high | 48 Ų | 48 | 44.2 Ų | 44.2 | 22% | 0.222 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.2 | -23 | 164.3 | -83.6 | 83.2 | 0 | 0 | 0 | 113.1 | R137 W151 I177 L178 I179 | R137-H181 PolarHBondContact NH1-O 3.03Å; R137-H181 PolarHBondContact NH2-O 2.91Å; W151-H181 AromaticContact CD1-NE2 3.67Å; W151-H181 AromaticContact NE1-CE1 3.9Å; W151-H181 AromaticContact NE1-NE2 3Å; W151-H181 PolarHBondContact NE1-NE2 3.45Å; I177-H181 WeakPolarHBondContact CG2-ND1 3.37Å; I177-H181 WeakPolarHBondContact O-CB 3.32Å; I177-H181 PolarHBondContact O-N 3.3Å; I177-H181 PolarHBondContact O-ND1 2.95Å; L178-H181 PolarHBondContact O-N 3.19Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 PolarHBondContact O-N 2.75Å |
| 182 | N | 93 | Very high | 91.1 | Very high | 111 Ų | 111 | 42 Ų | 42 | 59% | 0.594 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -81.7 | -22.5 | 173.1 | -84.1 | -74.7 | 0 | 0 | 0 | 113.3 | L178 I179 G180 R184 | L178-N182 PolarHBondContact O-N 3.38Å; L178-N182 VanDerWaalsContact O-N 3.09Å; L178-N182 PolarHBondContact O-ND2 2.9Å; I179-N182 WeakPolarHBondContact O-CA 3.27Å; I179-N182 WeakPolarHBondContact O-CB 3.22Å; I179-N182 PolarHBondContact O-N 3.39Å; G180-N182 PolarHBondContact O-N 3.15Å; N182-R184 PolarHBondContact O-N 3.06Å |
| 183 | Y | 92.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | trans | -66.1 | 94.9 | 172.9 | -62.2 | -25.3 | 0 | 0 | 0 | 111.9 | L95 L98 S99 A134 R137 I179 G180 F187 | L95-Y183 HydrophobicContact CD2-CD1 4.1Å; L95-Y183 HydrophobicContact CD2-CD2 3.71Å; L95-Y183 HydrophobicContact CD2-CE1 4.19Å; L95-Y183 HydrophobicContact CD2-CE2 3.8Å; L95-Y183 HydrophobicContact CD2-CG 3.87Å; L98-Y183 HydrophobicContact CD2-CE1 3.74Å; L98-Y183 HydrophobicContact CG-CE1 4.38Å; S99-Y183 PolarHBondContact N-OH 3.46Å; S99-Y183 PolarHBondContact OG-OH 3.12Å; S99-Y183 VanDerWaalsContact OG-OH 3.06Å; A134-Y183 HydrophobicContact CB-CD2 4.02Å; R137-Y183 VanDerWaalsContact NH1-C 3.25Å; R137-Y183 PolarHBondContact NH1-O 3.39Å; I179-Y183 HydrophobicContact CG2-CE1 4.1Å; I179-Y183 HydrophobicContact CG2-CE2 4Å; I179-Y183 WeakPolarHBondContact CG2-OH 3.38Å; I179-Y183 PolarHBondContact O-N 2.95Å; G180-Y183 PolarHBondContact O-N 3.14Å; Y183-F187 HydrophobicContact CD1-CD1 4.05Å; Y183-F187 HydrophobicContact CD1-CE1 4Å; Y183-F187 HydrophobicContact CE1-CE1 4.16Å | ||
| 184 | R | 90.3 | Very high | 90.3 | Very high | 151 Ų | 151 | 50.8 Ų | 50.8 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | trans | -79.6 | 150.3 | 176.8 | -64.8 | -178.8 | -172.3 | -153.8 | 1.3 | 110.4 | N182 S186 F187 I188 | N182-R184 PolarHBondContact O-N 3.06Å; R184-S186 PolarHBondContact O-N 2.95Å; R184-F187 WeakPolarHBondContact O-CB 3.37Å; R184-F187 PolarHBondContact O-N 3.28Å; R184-I188 PolarHBondContact O-N 3.34Å; R184-I188 VanDerWaalsContact O-N 3.12Å | ||
| 185 | P | 88.6 | Confident | 89.7 | Confident | 85 Ų | 85 | 48 Ų | 48 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -54.8 | -34.9 | 175 | -26.4 | 35 | 0 | 0 | 0 | 113.5 | I188 G189 | P185-I188 PolarHBondContact O-N 2.99Å; P185-G189 PolarHBondContact O-N 3.41Å |
| 186 | S | 89.1 | Confident | 88.8 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 174.9 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | R184 G189 V190 | R184-S186 PolarHBondContact O-N 2.95Å; S186-G189 CarbonylContact O-C 3.56Å; S186-G189 PolarHBondContact O-N 3.46Å; S186-V190 PolarHBondContact O-N 3.04Å; S186-V190 VanDerWaalsContact O-N 3.11Å |
| 187 | F | 89.6 | Confident | 87.8 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 177.2 | 177.7 | -106 | 0 | 0 | 0 | 111.6 | L95 L98 Y183 R184 G189 V190 L191 | L95-F187 HydrophobicContact CD2-CE1 4.21Å; L98-F187 HydrophobicContact CD2-CE1 3.6Å; L98-F187 HydrophobicContact CD2-CZ 3.51Å; Y183-F187 HydrophobicContact CD1-CD1 4.05Å; Y183-F187 HydrophobicContact CD1-CE1 4Å; Y183-F187 HydrophobicContact CE1-CE1 4.16Å; R184-F187 WeakPolarHBondContact O-CB 3.37Å; R184-F187 PolarHBondContact O-N 3.28Å; F187-G189 VanDerWaalsContact C-N 3.26Å; F187-G189 PolarHBondContact O-N 3.19Å; F187-V190 WeakPolarHBondContact O-CA 3.49Å; F187-V190 WeakPolarHBondContact O-CB 3.28Å; F187-V190 PolarHBondContact O-N 2.87Å; F187-L191 HydrophobicContact CD1-CD1 4.29Å; F187-L191 HydrophobicContact CE1-CD1 3.71Å; F187-L191 HydrophobicContact CE1-CG 4.19Å; F187-L191 HydrophobicContact CZ-CD1 4.16Å; F187-L191 HydrophobicContact CZ-CD2 4.25Å; F187-L191 HydrophobicContact CZ-CG 4.27Å; F187-L191 PolarHBondContact O-N 2.89Å; F187-L191 VanDerWaalsContact O-N 3.08Å |
| 188 | I | 88.7 | Confident | 86.4 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -36 | 174.8 | -66.1 | 176.5 | 0 | 0 | 0 | 110.5 | W87 L95 R184 P185 V190 L191 Q192 | W87-I188 HydrophobicContact CG-CG2 4.2Å; W87-I188 HydrophobicContact CZ2-CD1 4.48Å; L95-I188 HydrophobicContact CD1-CD1 3.9Å; L95-I188 HydrophobicContact CD1-CG1 3.95Å; L95-I188 HydrophobicContact CD1-CG2 4.49Å; L95-I188 HydrophobicContact CD2-CD1 4.4Å; L95-I188 HydrophobicContact CD2-CG1 4.06Å; R184-I188 PolarHBondContact O-N 3.34Å; R184-I188 VanDerWaalsContact O-N 3.12Å; P185-I188 PolarHBondContact O-N 2.99Å; I188-V190 VanDerWaalsContact C-N 3.25Å; I188-V190 PolarHBondContact O-N 3.31Å; I188-L191 PolarHBondContact O-N 3.18Å; I188-Q192 WeakPolarHBondContact O-CB 3.38Å; I188-Q192 VanDerWaalsContact O-CG 3.27Å; I188-Q192 WeakPolarHBondContact O-CG 3.36Å; I188-Q192 PolarHBondContact O-N 2.95Å |
| 189 | G | 87.5 | Confident | 85.1 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.5 | -17.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P185 S186 F187 K193 | P185-G189 PolarHBondContact O-N 3.41Å; S186-G189 CarbonylContact O-C 3.56Å; S186-G189 PolarHBondContact O-N 3.46Å; F187-G189 VanDerWaalsContact C-N 3.26Å; F187-G189 PolarHBondContact O-N 3.19Å; G189-K193 WeakPolarHBondContact O-CG 3.32Å |
| 190 | V | 89.1 | Confident | 83.6 | Confident | 80 Ų | 80 | 63 Ų | 63 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -81.9 | -44.7 | 168.7 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | S186 F187 I188 Q192 K193 I194 | S186-V190 PolarHBondContact O-N 3.04Å; S186-V190 VanDerWaalsContact O-N 3.11Å; F187-V190 WeakPolarHBondContact O-CA 3.49Å; F187-V190 WeakPolarHBondContact O-CB 3.28Å; F187-V190 PolarHBondContact O-N 2.87Å; I188-V190 VanDerWaalsContact C-N 3.25Å; I188-V190 PolarHBondContact O-N 3.31Å; V190-Q192 VanDerWaalsContact C-N 3.25Å; V190-Q192 PolarHBondContact O-N 3.48Å; V190-K193 WeakPolarHBondContact O-CA 3.48Å; V190-K193 WeakPolarHBondContact O-CB 3.42Å; V190-K193 PolarHBondContact O-N 3.4Å; V190-I194 PolarHBondContact O-N 3.01Å |
| 191 | L | 88.4 | Confident | 82.3 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 175 | -61.9 | -179.9 | 0 | 0 | 0 | 112 | A91 A94 L95 F187 I188 K193 I194 | A91-L191 HydrophobicContact CB-CB 4.13Å; A94-L191 HydrophobicContact CB-CD1 4.24Å; A94-L191 HydrophobicContact CB-CD2 4.22Å; L95-L191 HydrophobicContact CD2-CD1 3.53Å; L95-L191 HydrophobicContact CG-CD1 3.63Å; F187-L191 HydrophobicContact CD1-CD1 4.29Å; F187-L191 HydrophobicContact CE1-CD1 3.71Å; F187-L191 HydrophobicContact CE1-CG 4.19Å; F187-L191 HydrophobicContact CZ-CD1 4.16Å; F187-L191 HydrophobicContact CZ-CD2 4.25Å; F187-L191 HydrophobicContact CZ-CG 4.27Å; F187-L191 PolarHBondContact O-N 2.89Å; F187-L191 VanDerWaalsContact O-N 3.08Å; I188-L191 PolarHBondContact O-N 3.18Å; L191-K193 PolarHBondContact O-N 3.29Å; L191-I194 HydrophobicContact CD2-CD1 3.8Å; L191-I194 WeakPolarHBondContact O-CB 3.44Å; L191-I194 PolarHBondContact O-N 3.35Å; L191-I194 VanDerWaalsContact O-N 3.15Å |
| 192 | Q | 87.6 | Confident | 81.1 | Confident | 22 Ų | 22 | 76 Ų | 76 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.7 | -23.2 | 172.1 | -76.5 | 173.4 | -27.7 | 0 | 0 | 114.1 | W87 A91 I188 V190 N196 Y211 | W87-Q192 WeakPolarHBondContact O-CG 3.45Å; W87-Q192 PolarHBondContact O-NE2 3.24Å; A91-Q192 HydrophobicContact CB-CG 3.78Å; I188-Q192 WeakPolarHBondContact O-CB 3.38Å; I188-Q192 VanDerWaalsContact O-CG 3.27Å; I188-Q192 WeakPolarHBondContact O-CG 3.36Å; I188-Q192 PolarHBondContact O-N 2.95Å; V190-Q192 VanDerWaalsContact C-N 3.25Å; V190-Q192 PolarHBondContact O-N 3.48Å; Q192-N196 PolarHBondContact O-ND2 3.35Å; Q192-Y211 HydrophobicContact CB-CD1 3.8Å; Q192-Y211 HydrophobicContact CB-CD2 3.81Å; Q192-Y211 HydrophobicContact CB-CE1 3.94Å; Q192-Y211 HydrophobicContact CB-CE2 3.97Å; Q192-Y211 HydrophobicContact CB-CG 3.75Å; Q192-Y211 HydrophobicContact CG-CD1 4.47Å; Q192-Y211 HydrophobicContact CG-CD2 3.58Å; Q192-Y211 HydrophobicContact CG-CE2 3.9Å; Q192-Y211 HydrophobicContact CG-CG 3.93Å; Q192-Y211 WeakPolarHBondContact O-CD1 3.25Å; Q192-Y211 VanDerWaalsContact OE1-CE2 3.28Å |
| 193 | K | 85.1 | Confident | 80 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -76.1 | -27.3 | 173.9 | -73 | 172.6 | -177.6 | -174.6 | 0 | 112.5 | G189 V190 L191 E195 N196 | G189-K193 WeakPolarHBondContact O-CG 3.32Å; V190-K193 WeakPolarHBondContact O-CA 3.48Å; V190-K193 WeakPolarHBondContact O-CB 3.42Å; V190-K193 PolarHBondContact O-N 3.4Å; L191-K193 PolarHBondContact O-N 3.29Å; K193-E195 PolarHBondContact O-N 3.26Å; K193-N196 WeakPolarHBondContact CA-ND2 3.35Å; K193-N196 WeakPolarHBondContact O-CB 3.35Å; K193-N196 PolarHBondContact O-N 2.95Å; K193-N196 PolarHBondContact O-ND2 3.5Å |
| 194 | I | 82.1 | Confident | 78.9 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.5 | -31 | -179.6 | -58.6 | 177.2 | 0 | 0 | 0 | 111.5 | V190 L191 N196 I197 I199 | V190-I194 PolarHBondContact O-N 3.01Å; L191-I194 HydrophobicContact CD2-CD1 3.8Å; L191-I194 WeakPolarHBondContact O-CB 3.44Å; L191-I194 PolarHBondContact O-N 3.35Å; L191-I194 VanDerWaalsContact O-N 3.15Å; I194-N196 PolarHBondContact O-N 3.47Å; I194-I197 HydrophobicContact CG2-CD1 4.38Å; I194-I197 VanDerWaalsContact O-CB 3.26Å; I194-I197 WeakPolarHBondContact O-CB 3.3Å; I194-I197 PolarHBondContact O-N 2.97Å; I194-I199 HydrophobicContact CG2-CD1 3.58Å |
| 195 | E | 78.9 | Confident | 77.8 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -55.7 | -38.8 | 174.6 | -168.3 | 170.3 | 137.6 | 0 | 0 | 112.6 | V90 K193 I197 G198 P210 Y211 | V90-E195 HydrophobicContact CB-CB 4.21Å; V90-E195 HydrophobicContact CB-CG 4.46Å; V90-E195 HydrophobicContact CG2-CB 3.87Å; V90-E195 HydrophobicContact CG2-CG 3.63Å; K193-E195 PolarHBondContact O-N 3.26Å; E195-I197 PolarHBondContact O-N 3.24Å; E195-G198 PolarHBondContact O-N 3.33Å; E195-P210 VanDerWaalsContact OE1-CA 3.22Å; E195-P210 WeakPolarHBondContact OE1-CA 3.45Å; E195-P210 WeakPolarHBondContact OE1-CB 3.27Å; E195-Y211 VanDerWaalsContact CD-N 3.32Å; E195-Y211 PolarHBondContact OE1-N 3.45Å; E195-Y211 VanDerWaalsContact OE2-CB 3.31Å; E195-Y211 WeakPolarHBondContact OE2-CB 3.25Å; E195-Y211 PolarHBondContact OE2-N 3.18Å |
| 196 | N | 73.8 | Confident | 76.8 | Confident | 122 Ų | 122 | 78.8 Ų | 78.8 | 65% | 0.652 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -71.4 | -8.9 | 177.8 | -49.2 | -93.7 | 0 | 0 | 0 | 113.6 | Q192 K193 I194 G198 | Q192-N196 PolarHBondContact O-ND2 3.35Å; K193-N196 WeakPolarHBondContact CA-ND2 3.35Å; K193-N196 WeakPolarHBondContact O-CB 3.35Å; K193-N196 PolarHBondContact O-N 2.95Å; K193-N196 PolarHBondContact O-ND2 3.5Å; I194-N196 PolarHBondContact O-N 3.47Å; N196-G198 PolarHBondContact O-N 3.21Å |
| 197 | I | 72.8 | Confident | 76 | Confident | 135 Ų | 135 | 75.4 Ų | 75.4 | 69% | 0.692 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -78 | -9.4 | 172.5 | -51.7 | 178.3 | 0 | 0 | 0 | 110.2 | I194 E195 | I194-I197 HydrophobicContact CG2-CD1 4.38Å; I194-I197 VanDerWaalsContact O-CB 3.26Å; I194-I197 WeakPolarHBondContact O-CB 3.3Å; I194-I197 PolarHBondContact O-N 2.97Å; E195-I197 PolarHBondContact O-N 3.24Å |
| 198 | G | 65.1 | Low | 75.4 | Confident | 11 Ų | 11 | 72.4 Ų | 72.4 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 15.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E195 N196 F200 N201 | E195-G198 PolarHBondContact O-N 3.33Å; N196-G198 PolarHBondContact O-N 3.21Å; G198-F200 PolarHBondContact O-N 2.97Å; G198-N201 WeakPolarHBondContact CA-ND2 3.33Å; G198-N201 VanDerWaalsContact CA-OD1 3.32Å; G198-N201 WeakPolarHBondContact CA-OD1 3.24Å; G198-N201 WeakPolarHBondContact O-CB 3.42Å; G198-N201 PolarHBondContact O-N 3.15Å |
| 199 | I | 65.6 | Low | 74.8 | Confident | 101 Ų | 101 | 72.3 Ų | 72.3 | 52% | 0.518 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30 | 179.2 | -56.9 | -176.4 | 0 | 0 | 0 | 112 | I194 | I194-I199 HydrophobicContact CG2-CD1 3.58Š|
| 200 | F | 63.9 | Low | 74.1 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 12.4 | -179.7 | -72.2 | -94.4 | 0 | 0 | 0 | 114.1 | L21 V90 G198 F202 L203 Y208 | L21-F200 HydrophobicContact CD2-CE1 4.2Å; V90-F200 HydrophobicContact CB-CE2 4.41Å; V90-F200 HydrophobicContact CG1-CE2 4.36Å; V90-F200 HydrophobicContact CG2-CD2 3.43Å; V90-F200 VanDerWaalsContact CG2-CD2 3.43Å; V90-F200 HydrophobicContact CG2-CE2 3.57Å; V90-F200 HydrophobicContact CG2-CG 4.3Å; G198-F200 PolarHBondContact O-N 2.97Å; F200-F202 PolarHBondContact O-N 3.45Å; F200-L203 HydrophobicContact CD1-CD1 4.11Å; F200-L203 HydrophobicContact CD1-CD2 4.15Å; F200-L203 HydrophobicContact CE1-CD2 4.5Å; F200-L203 PolarHBondContact O-N 3.36Å; F200-Y208 HydrophobicContact CB-CE1 4.3Å; F200-Y208 HydrophobicContact CB-CE2 4.24Å |
| 201 | N | 65 | Low | 73.1 | Confident | 131 Ų | 131 | 71 Ų | 71 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14.4 | 179 | -75.1 | -0.9 | 0 | 0 | 0 | 114.3 | G198 | G198-N201 WeakPolarHBondContact CA-ND2 3.33Å; G198-N201 VanDerWaalsContact CA-OD1 3.32Å; G198-N201 WeakPolarHBondContact CA-OD1 3.24Å; G198-N201 WeakPolarHBondContact O-CB 3.42Å; G198-N201 PolarHBondContact O-N 3.15Å |
| 202 | F | 67.2 | Low | 71.9 | Confident | 191 Ų | 191 | 76.1 Ų | 76.1 | 84% | 0.838 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -11.1 | 175.7 | -59.3 | -77.2 | 0 | 0 | 0 | 113.6 | F200 | F200-F202 PolarHBondContact O-N 3.45Š|
| 203 | L | 69.8 | Low | 70.1 | Confident | 61 Ų | 61 | 77.5 Ų | 77.5 | 32% | 0.319 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -101.7 | 136.4 | 177.9 | -77.9 | 81.5 | 0 | 0 | 0 | 109.7 | L21 F200 A207 Y208 | L21-L203 HydrophobicContact CD2-CD2 3.5Å; F200-L203 HydrophobicContact CD1-CD1 4.11Å; F200-L203 HydrophobicContact CD1-CD2 4.15Å; F200-L203 HydrophobicContact CE1-CD2 4.5Å; F200-L203 PolarHBondContact O-N 3.36Å; L203-A207 HydrophobicContact CD2-CB 4.47Å; L203-Y208 HydrophobicContact CB-CD1 4.04Å; L203-Y208 HydrophobicContact CB-CE1 4.19Å |
| 204 | P | 68.8 | Low | 68.4 | Low | 62 Ų | 62 | 80.9 Ų | 80.9 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | trans | -71.9 | 152 | 177.2 | 31.2 | -35.6 | 0 | 0 | 0 | 111.3 | W206 A207 | P204-W206 HydrophobicContact CG-CD2 4.15Å; P204-W206 VanDerWaalsContact CG-CE2 3.45Å; P204-W206 HydrophobicContact CG-CG 4.45Å; P204-W206 HydrophobicContact CG-CZ2 3.68Å; P204-W206 PolarHBondContact O-N 3.22Å; P204-A207 HydrophobicContact CG-CB 3.99Å; P204-A207 WeakPolarHBondContact O-CB 3.41Å; P204-A207 PolarHBondContact O-N 3.01Å | ||
| 205 | D | 66.8 | Low | 66.5 | Low | 102 Ų | 102 | 85.9 Ų | 85.9 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.6 | -172.4 | -66.2 | -11.1 | 0 | 0 | 0 | 115.9 | ||
| 206 | W | 67.5 | Low | 64.7 | Low | 190 Ų | 190 | 94.9 Ų | 94.9 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -23.1 | 174.3 | 60 | -100.8 | 0 | 0 | 0 | 113.6 | F19 P204 Y208 | F19-W206 WeakPolarHBondContact CB-O 3.37Å; F19-W206 PolarHBondContact N-O 3.28Å; P204-W206 HydrophobicContact CG-CD2 4.15Å; P204-W206 VanDerWaalsContact CG-CE2 3.45Å; P204-W206 HydrophobicContact CG-CG 4.45Å; P204-W206 HydrophobicContact CG-CZ2 3.68Å; P204-W206 PolarHBondContact O-N 3.22Å; W206-Y208 PolarHBondContact O-N 3Å |
| 207 | A | 73.6 | Confident | 63 | Low | 13 Ų | 13 | 95.5 Ų | 95.5 | 11% | 0.107 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -82.2 | -10.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L21 L203 P204 | L21-A207 WeakPolarHBondContact CB-O 3.38Å; L203-A207 HydrophobicContact CD2-CB 4.47Å; P204-A207 HydrophobicContact CG-CB 3.99Å; P204-A207 WeakPolarHBondContact O-CB 3.41Å; P204-A207 PolarHBondContact O-N 3.01Å |
| 208 | Y | 75.4 | Confident | 61.3 | Low | 18 Ų | 18 | 93.9 Ų | 93.9 | 7% | 0.071 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -143 | 178.4 | 175.4 | 67.4 | -76.8 | 0 | 0 | 0 | 110 | G18 F19 F200 L203 W206 P210 | G18-Y208 VanDerWaalsContact CA-O 3.24Å; G18-Y208 WeakPolarHBondContact CA-O 3.32Å; F19-Y208 CarbonylContact O-C 3.56Å; F19-Y208 WeakPolarHBondContact O-CA 3.26Å; F200-Y208 HydrophobicContact CB-CE1 4.3Å; F200-Y208 HydrophobicContact CB-CE2 4.24Å; L203-Y208 HydrophobicContact CB-CD1 4.04Å; L203-Y208 HydrophobicContact CB-CE1 4.19Å; W206-Y208 PolarHBondContact O-N 3Å; Y208-P210 HydrophobicContact CD2-CB 4.49Å; Y208-P210 HydrophobicContact CD2-CG 4.16Å; Y208-P210 HydrophobicContact CE2-CB 3.89Å; Y208-P210 HydrophobicContact CE2-CG 3.77Å; Y208-P210 WeakPolarHBondContact O-CD 3.26Å |
| 209 | V | 76.9 | Confident | 60 | Low | 0 Ų | 0 | 98.7 Ų | 98.7 | 0% | 0 | 47% | 0.474 | C | S | . | . | trans | -104.5 | 106 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | R16 F19 F20 E84 G88 T89 | R16-V209 HydrophobicContact CB-CG1 3.84Å; F19-V209 WeakPolarHBondContact O-CG2 3.42Å; F20-V209 HydrophobicContact CD1-CG2 4.2Å; E84-V209 HydrophobicContact CG-CB 4.24Å; E84-V209 HydrophobicContact CG-CG2 4.16Å; G88-V209 WeakPolarHBondContact CA-O 3.49Å; T89-V209 PolarHBondContact N-O 3.04Å; T89-V209 PolarHBondContact OG1-N 3.04Å; T89-V209 PolarHBondContact OG1-O 3.19Å | ||
| 210 | P | 72.2 | Confident | 58.8 | Low | 5 Ų | 5 | 103.5 Ų | 103.5 | 3% | 0.032 | 49% | 0.487 | C | S | . | . | trans | -75.7 | 153.2 | -173.9 | -17.8 | 32.6 | 0 | 0 | 0 | 114.2 | R16 E195 Y208 Y212 | R16-P210 VanDerWaalsContact CZ-O 3.31Å; R16-P210 PolarHBondContact NH1-O 3.28Å; E195-P210 VanDerWaalsContact OE1-CA 3.22Å; E195-P210 WeakPolarHBondContact OE1-CA 3.45Å; E195-P210 WeakPolarHBondContact OE1-CB 3.27Å; Y208-P210 HydrophobicContact CD2-CB 4.49Å; Y208-P210 HydrophobicContact CD2-CG 4.16Å; Y208-P210 HydrophobicContact CE2-CB 3.89Å; Y208-P210 HydrophobicContact CE2-CG 3.77Å; Y208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-Y212 VanDerWaalsContact C-N 3.3Å; P210-Y212 HydrophobicContact CB-CD2 4.1Å; P210-Y212 HydrophobicContact CB-CE1 4.43Å; P210-Y212 HydrophobicContact CB-CE2 3.72Å; P210-Y212 HydrophobicContact CG-CE2 3.74Å; P210-Y212 PolarHBondContact O-N 3.34Å; P210-Y212 VanDerWaalsContact O-N 3.14Å | ||
| 211 | Y | 69.3 | Low | 57.2 | Low | 66 Ų | 66 | 108.8 Ų | 108.8 | 26% | 0.259 | 52% | 0.517 | S | S | . | . | trans | -79.6 | 73.9 | 162.4 | -176.8 | -104.7 | 0 | 0 | 0 | 111.5 | Q192 E195 S213 | Q192-Y211 HydrophobicContact CB-CD1 3.8Å; Q192-Y211 HydrophobicContact CB-CD2 3.81Å; Q192-Y211 HydrophobicContact CB-CE1 3.94Å; Q192-Y211 HydrophobicContact CB-CE2 3.97Å; Q192-Y211 HydrophobicContact CB-CG 3.75Å; Q192-Y211 HydrophobicContact CG-CD1 4.47Å; Q192-Y211 HydrophobicContact CG-CD2 3.58Å; Q192-Y211 HydrophobicContact CG-CE2 3.9Å; Q192-Y211 HydrophobicContact CG-CG 3.93Å; Q192-Y211 WeakPolarHBondContact O-CD1 3.25Å; Q192-Y211 VanDerWaalsContact OE1-CE2 3.28Å; E195-Y211 VanDerWaalsContact CD-N 3.32Å; E195-Y211 PolarHBondContact OE1-N 3.45Å; E195-Y211 VanDerWaalsContact OE2-CB 3.31Å; E195-Y211 WeakPolarHBondContact OE2-CB 3.25Å; E195-Y211 PolarHBondContact OE2-N 3.18Å; Y211-S213 PolarHBondContact O-N 3.05Å | ||
| 212 | Y | 62 | Low | 55.9 | Low | 125 Ų | 125 | 109.2 Ų | 109.2 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | trans | -66.4 | 115.8 | 158.3 | -59.5 | -66.6 | 0 | 0 | 0 | 109.5 | R16 P210 | R16-Y212 PolarHBondContact NH2-O 2.86Å; P210-Y212 VanDerWaalsContact C-N 3.3Å; P210-Y212 HydrophobicContact CB-CD2 4.1Å; P210-Y212 HydrophobicContact CB-CE1 4.43Å; P210-Y212 HydrophobicContact CB-CE2 3.72Å; P210-Y212 HydrophobicContact CG-CE2 3.74Å; P210-Y212 PolarHBondContact O-N 3.34Å; P210-Y212 VanDerWaalsContact O-N 3.14Å | ||
| 213 | S | 50.1 | Low | 54.5 | Low | 52 Ų | 52 | 104.6 Ų | 104.6 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | trans | -67.3 | 127.7 | 169.8 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | Y211 L215 R216 | Y211-S213 PolarHBondContact O-N 3.05Å; S213-L215 PolarHBondContact O-N 2.89Å; S213-R216 PolarHBondContact O-N 3.32Å | ||
| 214 | R | 50.7 | Low | 52.8 | Low | 210 Ų | 210 | 110.9 Ų | 110.9 | 79% | 0.792 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 15.4 | -178.4 | -63.2 | -172.8 | 177.6 | -164.8 | -1.9 | 114.4 | S14 | S14-R214 PolarHBondContact OG-NH2 3.31Å; S14-R214 VanDerWaalsContact OG-NH2 3.11Å |
| 215 | L | 41.1 | Very low | 51.4 | Low | 157 Ų | 157 | 119.6 Ų | 119.6 | 82% | 0.822 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | 9.9 | -173.5 | -71.9 | 171.4 | 0 | 0 | 0 | 112.6 | S213 L217 | S213-L215 PolarHBondContact O-N 2.89Å; L215-L217 PolarHBondContact O-N 3.14Å |
| 216 | R | 42.2 | Very low | 49.9 | Very low | 207 Ų | 207 | 120.3 Ų | 120.3 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | trans | -75.7 | 82.9 | 156.7 | -127.3 | -179.2 | -174.5 | 166.8 | 2.5 | 108 | S213 | S213-R216 PolarHBondContact O-N 3.32Š| ||
| 217 | L | 37.1 | Very low | 48.1 | Very low | 136 Ų | 136 | 114.5 Ų | 114.5 | 71% | 0.712 | 58% | 0.58 | S | S | * | * | trans | -50.8 | 153.1 | 157.6 | -79.3 | 156.3 | 0 | 0 | 0 | 109 | L215 T219 | L215-L217 PolarHBondContact O-N 3.14Å; L217-T219 VanDerWaalsContact C-N 3.3Å; L217-T219 PolarHBondContact O-N 3.36Å | ||
| 218 | P | 37.8 | Very low | 46.1 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 66% | 0.656 | 61% | 0.614 | S | S | * | * | trans | -62 | 90.1 | 173.2 | -22 | 34.3 | 0 | 0 | 0 | 111.1 | Y220 | P218-Y220 HydrophobicContact CB-CD2 4.19Å; P218-Y220 HydrophobicContact CB-CE2 4.02Å; P218-Y220 PolarHBondContact O-N 3.15Å | ||
| 219 | T | 38.3 | Very low | 44.1 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | trans | -70.7 | 82 | 164.1 | 49.6 | 0 | 0 | 0 | 0 | 107.3 | L217 N221 | L217-T219 VanDerWaalsContact C-N 3.3Å; L217-T219 PolarHBondContact O-N 3.36Å; T219-N221 PolarHBondContact O-N 3.41Å | ||
| 220 | Y | 38.4 | Very low | 42.1 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | trans | -51.3 | 107.4 | 164.6 | -79.8 | -83.5 | 0 | 0 | 0 | 107.5 | P218 T222 | P218-Y220 HydrophobicContact CB-CD2 4.19Å; P218-Y220 HydrophobicContact CB-CE2 4.02Å; P218-Y220 PolarHBondContact O-N 3.15Å; Y220-T222 PolarHBondContact O-N 2.91Å | ||
| 221 | N | 31.9 | Very low | 40.2 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -80.2 | 89.7 | -171.3 | -161.7 | 10.2 | 0 | 0 | 0 | 107.8 | T219 S223 | T219-N221 PolarHBondContact O-N 3.41Å; N221-S223 PolarHBondContact O-N 3.38Å | ||
| 222 | T | 37.1 | Very low | 38.5 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -72.1 | 40.7 | -174 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | Y220 | Y220-T222 PolarHBondContact O-N 2.91Š| ||
| 223 | S | 37.2 | Very low | 37 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | -118.9 | 30.7 | -175.1 | -154.1 | 0 | 0 | 0 | 0 | 112.6 | N221 | N221-S223 PolarHBondContact O-N 3.38Š| ||
| 224 | Q | 34.9 | Very low | 36.2 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -137.8 | 70.8 | 163.3 | -72.4 | -159.9 | 6.9 | 0 | 0 | 111 | ||||
| 225 | R | 39.4 | Very low | 35.3 | Very low | 245 Ų | 245 | 143.2 Ų | 143.2 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -143.8 | 59.8 | 165.8 | -158.9 | -174.2 | -176.4 | -179.4 | 2.6 | 113.1 | ||||
| 226 | S | 34.1 | Very low | 34.7 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -157.6 | 35.5 | 171.8 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 227 | G | 30.6 | Very low | 34.1 | Very low | 67 Ų | 67 | 143.9 Ų | 143.9 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 129.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 228 | P | 32.5 | Very low | 33.9 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 133.1 | -176.2 | 28.2 | -33.5 | 0 | 0 | 0 | 112.2 | ||
| 229 | F | 32.8 | Very low | 34.1 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 130.9 | 168.1 | -89.7 | -102.8 | 0 | 0 | 0 | 110.5 | Q231 | F229-Q231 PolarHBondContact O-N 3.07Š|
| 230 | P | 35.4 | Very low | 33.7 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 119.4 | 160.7 | -15.4 | 30.4 | 0 | 0 | 0 | 109.4 | ||
| 231 | Q | 31.3 | Very low | 33.4 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.2 | 166 | -71.7 | -178.2 | -16.9 | 0 | 0 | 109 | F229 | F229-Q231 PolarHBondContact O-N 3.07Š|
| 232 | V | 32.7 | Very low | 33.2 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -109.4 | 104.2 | 171 | 177.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 233 | S | 30.6 | Very low | 32.8 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -72.1 | 141 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 234 | P | 34.9 | Very low | 32.9 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -80 | 138.4 | -179.2 | 31.8 | -34.4 | 0 | 0 | 0 | 112.3 | ||||
| 235 | S | 31.1 | Very low | 33.2 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -150.2 | 114.6 | 165.8 | -166.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 236 | N | 28.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 37.7 | 107.8 | 149.6 | -58.9 | -14.8 | 0 | 0 | 0 | 121.9 | ||||
| 237 | R | 28.6 | Very low | 32.8 | Very low | 230 Ų | 230 | 136.3 Ų | 136.3 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | 5.7 | 143.5 | 118.7 | -64.4 | -179.6 | -174.2 | 179.4 | 2.2 | 116.5 | |||||
| 238 | T | 32.8 | Very low | 33 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | cis | -179 | -175.6 | 15.7 | 17.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 239 | P | 42.8 | Very low | 33.1 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | cis | -130 | 175.8 | -46.5 | 39.1 | -23.4 | 0 | 0 | 0 | 114 | ||||
| 240 | M | 30 | Very low | 33.5 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 67.9 | 170.4 | 159.7 | -74.5 | 139.3 | 78 | 0 | 0 | 116.2 | ||||
| 241 | E | 31.4 | Very low | 33.2 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | cis | -162.1 | 158.5 | -2.5 | -115.1 | 151.4 | 174.4 | 0 | 0 | 106.3 | ||||
| 242 | D | 28.8 | Very low | 33.4 | Very low | 116 Ų | 116 | 141 Ų | 141 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | cis | -164.2 | -165.9 | -10.5 | -150.6 | -13.2 | 0 | 0 | 0 | 112.1 | ||||
| 243 | F | 28.8 | Very low | 33.3 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -7 | 158.2 | 163.4 | -67 | -59 | 0 | 0 | 0 | 122.9 | ||||
| 244 | P | 38.3 | Very low | 33.7 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -131.1 | -165.2 | -22.3 | 42.1 | -22.8 | 0 | 0 | 0 | 111.8 | ||||
| 245 | P | 41.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -98.7 | 158.5 | -157.6 | 38.9 | -36.6 | 0 | 0 | 0 | 117.1 | ||||
| 246 | V | 29.2 | Very low | 34.1 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | trans | -129.2 | 119.7 | 163 | 178.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 247 | N | 35.1 | Very low | 34.4 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | -105.5 | 134.8 | 171.9 | 174.6 | 25.7 | 0 | 0 | 0 | 109.6 | Q249 | N247-Q249 PolarHBondContact OD1-N 3.34Å; N247-Q249 VanDerWaalsContact OD1-N 3.08Å | ||
| 248 | P | 34.4 | Very low | 35.1 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -136.2 | 102.2 | 144 | 32.7 | -16.2 | 0 | 0 | 0 | 113.1 | ||||
| 249 | Q | 36.4 | Very low | 35.4 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -71 | 141.8 | 139.3 | -79.9 | -162 | -17.8 | 0 | 0 | 108.3 | N247 | N247-Q249 PolarHBondContact OD1-N 3.34Å; N247-Q249 VanDerWaalsContact OD1-N 3.08Å | ||
| 250 | P | 40.6 | Very low | 35.5 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | -128.3 | 178.8 | 78.2 | 20.4 | 2.2 | 0 | 0 | 0 | 111.3 | |||||
| 251 | W | 28.6 | Very low | 36 | Very low | 237 Ų | 237 | 134.8 Ų | 134.8 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | cis | -138 | 164.3 | 23.8 | -72 | 61.3 | 0 | 0 | 0 | 111.7 | A253 | W251-A253 PolarHBondContact O-N 2.84Š| ||
| 252 | L | 36 | Very low | 36.5 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 90% | 0.901 | 71% | 0.707 | S | S | * | * | trans | -69.5 | 127.3 | 173 | -79.6 | 78.8 | 0 | 0 | 0 | 111.7 | ||||
| 253 | A | 30.9 | Very low | 37.3 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | trans | -115.4 | 108.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | W251 V255 | W251-A253 PolarHBondContact O-N 2.84Å; A253-V255 PolarHBondContact O-N 3.34Å | ||
| 254 | S | 39.1 | Very low | 38.2 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | trans | -74.5 | 95.6 | -176.3 | 54 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 255 | V | 38.6 | Very low | 38.8 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | trans | -67.7 | 125.7 | 171.5 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | A253 L259 | A253-V255 PolarHBondContact O-N 3.34Å; V255-L259 HydrophobicContact CG1-CB 4.26Å; V255-L259 HydrophobicContact CG1-CD2 3.97Å | ||
| 256 | P | 35.6 | Very low | 39.4 | Very low | 70 Ų | 70 | 117.8 Ų | 117.8 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | trans | -72.1 | 143.2 | -177.3 | 29.2 | -35.8 | 0 | 0 | 0 | 112.3 | W258 L259 | P256-W258 VanDerWaalsContact CG-NE1 3.33Å; P256-W258 PolarHBondContact O-N 3.48Å; P256-L259 PolarHBondContact O-N 3.42Å | ||
| 257 | H | 34.3 | Very low | 40.7 | Very low | 166 Ų | 166 | 114.4 Ų | 114.4 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -28.2 | -170.2 | -90.9 | -93.5 | 0 | 0 | 0 | 116.2 | L259 L260 | H257-L259 PolarHBondContact O-N 2.9Å; H257-L260 PolarHBondContact O-N 3.48Å |
| 258 | W | 44.4 | Very low | 41.9 | Very low | 190 Ų | 190 | 114.4 Ų | 114.4 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.8 | -14.6 | -176.7 | 65.4 | -99.2 | 0 | 0 | 0 | 114.3 | P256 L260 | P256-W258 VanDerWaalsContact CG-NE1 3.33Å; P256-W258 PolarHBondContact O-N 3.48Å; W258-L260 VanDerWaalsContact C-N 3.32Å |
| 259 | L | 39.1 | Very low | 43.2 | Very low | 100 Ų | 100 | 111.9 Ų | 111.9 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.9 | -20 | 175.2 | -148.2 | 83 | 0 | 0 | 0 | 113.3 | V255 P256 H257 | V255-L259 HydrophobicContact CG1-CB 4.26Å; V255-L259 HydrophobicContact CG1-CD2 3.97Å; P256-L259 PolarHBondContact O-N 3.42Å; H257-L259 PolarHBondContact O-N 2.9Å |
| 260 | L | 44.9 | Very low | 44.7 | Very low | 128 Ų | 128 | 109.9 Ų | 109.9 | 67% | 0.67 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -83.7 | -45.3 | -172.4 | -140.1 | 73.8 | 0 | 0 | 0 | 112.5 | H257 W258 G262 S263 A264 | H257-L260 PolarHBondContact O-N 3.48Å; W258-L260 VanDerWaalsContact C-N 3.32Å; L260-G262 VanDerWaalsContact C-N 3.28Å; L260-G262 PolarHBondContact O-N 2.98Å; L260-S263 WeakPolarHBondContact O-CB 3.22Å; L260-S263 PolarHBondContact O-N 2.86Å; L260-A264 PolarHBondContact O-N 2.91Å |
| 261 | D | 40.1 | Very low | 46.2 | Very low | 127 Ų | 127 | 110.5 Ų | 110.5 | 68% | 0.679 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62 | -35.8 | -178 | -61.6 | -32.4 | 0 | 0 | 0 | 112.3 | S263 A265 | D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 3.42Å; D261-A265 PolarHBondContact O-N 2.57Å |
| 262 | G | 40.4 | Very low | 48.3 | Very low | 41 Ų | 41 | 104.1 Ų | 104.1 | 42% | 0.423 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.8 | -31.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L260 V266 | L260-G262 VanDerWaalsContact C-N 3.28Å; L260-G262 PolarHBondContact O-N 2.98Å; G262-V266 WeakPolarHBondContact O-CB 3.34Å; G262-V266 VanDerWaalsContact O-CG2 3.25Å; G262-V266 WeakPolarHBondContact O-CG2 3.49Å; G262-V266 PolarHBondContact O-N 3.14Å; G262-V266 VanDerWaalsContact O-N 3.15Å |
| 263 | S | 46.6 | Very low | 50.4 | Low | 80 Ų | 80 | 102.4 Ų | 102.4 | 56% | 0.559 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.5 | -42.8 | 178.7 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | L260 D261 S267 | L260-S263 WeakPolarHBondContact O-CB 3.22Å; L260-S263 PolarHBondContact O-N 2.86Å; D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 3.42Å; S263-S267 VanDerWaalsContact O-CB 3.32Å; S263-S267 WeakPolarHBondContact O-CB 3.35Å; S263-S267 PolarHBondContact O-N 2.71Å |
| 264 | A | 48.7 | Very low | 52.6 | Low | 53 Ų | 53 | 102 Ų | 102 | 44% | 0.438 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.8 | -51.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L260 V266 S267 E268 | L260-A264 PolarHBondContact O-N 2.91Å; A264-V266 VanDerWaalsContact C-N 3.34Å; A264-V266 PolarHBondContact O-N 2.83Å; A264-S267 WeakPolarHBondContact O-CB 3.35Å; A264-S267 PolarHBondContact O-N 3.28Å; A264-S267 VanDerWaalsContact O-N 3.14Å; A264-E268 PolarHBondContact O-N 3.22Å |
| 265 | A | 50.8 | Low | 54.5 | Low | 60 Ų | 60 | 102.9 Ų | 102.9 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.4 | -35.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D261 A269 | D261-A265 PolarHBondContact O-N 2.57Å; A265-A269 WeakPolarHBondContact O-CB 3.27Å; A265-A269 PolarHBondContact O-N 2.93Å |
| 266 | V | 53.4 | Low | 56.2 | Low | 86 Ų | 86 | 104 Ų | 104 | 52% | 0.521 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.5 | -40.2 | 173.8 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | G262 A264 A269 Q270 | G262-V266 WeakPolarHBondContact O-CB 3.34Å; G262-V266 VanDerWaalsContact O-CG2 3.25Å; G262-V266 WeakPolarHBondContact O-CG2 3.49Å; G262-V266 PolarHBondContact O-N 3.14Å; G262-V266 VanDerWaalsContact O-N 3.15Å; A264-V266 VanDerWaalsContact C-N 3.34Å; A264-V266 PolarHBondContact O-N 2.83Å; V266-A269 PolarHBondContact O-N 3.01Å; V266-Q270 WeakPolarHBondContact O-CG 3.21Å; V266-Q270 PolarHBondContact O-N 3.32Å |
| 267 | S | 57.4 | Low | 58.3 | Low | 67 Ų | 67 | 105 Ų | 105 | 47% | 0.469 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.2 | -43.7 | 176.3 | -169.9 | 0 | 0 | 0 | 0 | 112.1 | S263 A264 Q270 L271 | S263-S267 VanDerWaalsContact O-CB 3.32Å; S263-S267 WeakPolarHBondContact O-CB 3.35Å; S263-S267 PolarHBondContact O-N 2.71Å; A264-S267 WeakPolarHBondContact O-CB 3.35Å; A264-S267 PolarHBondContact O-N 3.28Å; A264-S267 VanDerWaalsContact O-N 3.14Å; S267-Q270 PolarHBondContact O-N 2.98Å; S267-L271 WeakPolarHBondContact O-CB 3.14Å; S267-L271 PolarHBondContact O-N 3.31Å |
| 268 | E | 58.6 | Low | 60.4 | Low | 138 Ų | 138 | 104.3 Ų | 104.3 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.6 | -42.6 | 174.9 | -72.9 | -177.9 | 176.5 | 0 | 0 | 112.2 | A264 L271 L272 | A264-E268 PolarHBondContact O-N 3.22Å; E268-L271 PolarHBondContact O-N 3.05Å; E268-L272 WeakPolarHBondContact O-CB 3.4Å; E268-L272 PolarHBondContact O-N 3.38Å |
| 269 | A | 63.1 | Low | 61.8 | Low | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A265 V266 L272 E273 | A265-A269 WeakPolarHBondContact O-CB 3.27Å; A265-A269 PolarHBondContact O-N 2.93Å; V266-A269 PolarHBondContact O-N 3.01Å; A269-L272 PolarHBondContact O-N 2.83Å; A269-E273 WeakPolarHBondContact O-CB 3.42Å; A269-E273 PolarHBondContact O-N 3.27Å |
| 270 | Q | 67.4 | Low | 63.6 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.1 | -38 | 175.8 | -72.7 | -173.8 | -53.3 | 0 | 0 | 112.4 | V266 S267 L272 E273 E274 | V266-Q270 WeakPolarHBondContact O-CG 3.21Å; V266-Q270 PolarHBondContact O-N 3.32Å; S267-Q270 PolarHBondContact O-N 2.98Å; Q270-L272 VanDerWaalsContact C-N 3.34Å; Q270-E273 PolarHBondContact O-N 2.81Å; Q270-E274 VanDerWaalsContact O-CB 3.31Å; Q270-E274 WeakPolarHBondContact O-CB 3.46Å; Q270-E274 PolarHBondContact O-N 3.19Å |
| 271 | L | 71.4 | Confident | 64.8 | Low | 112 Ų | 112 | 93.4 Ų | 93.4 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 174 | -116.2 | 170.2 | 0 | 0 | 0 | 111.5 | S267 E268 Q275 | S267-L271 WeakPolarHBondContact O-CB 3.14Å; S267-L271 PolarHBondContact O-N 3.31Å; E268-L271 PolarHBondContact O-N 3.05Å; L271-Q275 WeakPolarHBondContact O-CB 3.41Å; L271-Q275 PolarHBondContact O-N 2.96Å |
| 272 | L | 74.1 | Confident | 66.3 | Low | 103 Ų | 103 | 92 Ų | 92 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.6 | -36.4 | 179.4 | -167.9 | 132.8 | 0 | 0 | 0 | 112 | E268 A269 Q270 Q275 M276 | E268-L272 WeakPolarHBondContact O-CB 3.4Å; E268-L272 PolarHBondContact O-N 3.38Å; A269-L272 PolarHBondContact O-N 2.83Å; Q270-L272 VanDerWaalsContact C-N 3.34Å; L272-Q275 PolarHBondContact O-N 3.01Å; L272-M276 HydrophobicContact CD2-CG 4.31Å; L272-M276 HydrophobicContact CD2-SD 3.72Å; L272-M276 WeakPolarHBondContact O-CB 3.31Å; L272-M276 VanDerWaalsContact O-CG 3.3Å; L272-M276 WeakPolarHBondContact O-CG 3.22Å; L272-M276 PolarHBondContact O-N 2.95Å |
| 273 | E | 78.4 | Confident | 67.7 | Low | 137 Ų | 137 | 92.5 Ų | 92.5 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.7 | -48.3 | 171.5 | -175 | 170.1 | -157.6 | 0 | 0 | 111.4 | A269 Q270 Q275 M276 L277 | A269-E273 WeakPolarHBondContact O-CB 3.42Å; A269-E273 PolarHBondContact O-N 3.27Å; Q270-E273 PolarHBondContact O-N 2.81Å; E273-Q275 VanDerWaalsContact C-N 3.31Å; E273-Q275 PolarHBondContact O-N 2.89Å; E273-M276 PolarHBondContact O-N 3.41Å; E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 PolarHBondContact O-N 3.27Å |
| 274 | E | 78.5 | Confident | 68.7 | Low | 82 Ų | 82 | 92.9 Ų | 92.9 | 38% | 0.383 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 174.3 | 177 | 68.1 | -166.5 | 0 | 0 | 111.7 | Q270 L277 R278 | Q270-E274 VanDerWaalsContact O-CB 3.31Å; Q270-E274 WeakPolarHBondContact O-CB 3.46Å; Q270-E274 PolarHBondContact O-N 3.19Å; E274-L277 PolarHBondContact O-N 2.82Å; E274-R278 WeakPolarHBondContact O-CB 3.38Å; E274-R278 VanDerWaalsContact O-CG 3.26Å; E274-R278 WeakPolarHBondContact O-CG 3.49Å; E274-R278 PolarHBondContact O-N 2.93Å; E274-R278 IonicContact OE1-CZ 2.85Å; E274-R278 IonicContact OE1-NE 3.01Å; E274-R278 PolarHBondContact OE1-NE 2.9Å; E274-R278 IonicContact OE1-NH2 2.85Å; E274-R278 PolarHBondContact OE1-NH2 3.33Å |
| 275 | Q | 78.6 | Confident | 69.3 | Low | 130 Ų | 130 | 95.6 Ų | 95.6 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72 | -38.7 | 179.5 | -164.6 | 171.5 | 25.5 | 0 | 0 | 112.3 | L271 L272 E273 A279 | L271-Q275 WeakPolarHBondContact O-CB 3.41Å; L271-Q275 PolarHBondContact O-N 2.96Å; L272-Q275 PolarHBondContact O-N 3.01Å; E273-Q275 VanDerWaalsContact C-N 3.31Å; E273-Q275 PolarHBondContact O-N 2.89Å; Q275-A279 WeakPolarHBondContact O-CB 3.42Å; Q275-A279 PolarHBondContact O-N 2.93Å |
| 276 | M | 75 | Confident | 69.5 | Low | 129 Ų | 129 | 100.1 Ų | 100.1 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.1 | -37.7 | 171.3 | -76.5 | -175.3 | 74.4 | 0 | 0 | 112.1 | L272 E273 A279 G280 | L272-M276 HydrophobicContact CD2-CG 4.31Å; L272-M276 HydrophobicContact CD2-SD 3.72Å; L272-M276 WeakPolarHBondContact O-CB 3.31Å; L272-M276 VanDerWaalsContact O-CG 3.3Å; L272-M276 WeakPolarHBondContact O-CG 3.22Å; L272-M276 PolarHBondContact O-N 2.95Å; E273-M276 PolarHBondContact O-N 3.41Å; M276-A279 PolarHBondContact O-N 3.24Å; M276-G280 PolarHBondContact O-N 2.94Å |
| 277 | L | 78.9 | Confident | 69.3 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 48% | 0.476 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.8 | -42.5 | 177 | -170.9 | 152.4 | 0 | 0 | 0 | 110.7 | E273 E274 G280 I281 | E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 PolarHBondContact O-N 3.27Å; E274-L277 PolarHBondContact O-N 2.82Å; L277-G280 PolarHBondContact O-N 3.11Å; L277-I281 HydrophobicContact CD2-CD1 3.62Å; L277-I281 HydrophobicContact CD2-CG1 4.39Å; L277-I281 WeakPolarHBondContact O-CG1 3.49Å; L277-I281 PolarHBondContact O-N 2.95Å |
| 278 | R | 77.7 | Confident | 69 | Low | 150 Ų | 150 | 102.4 Ų | 102.4 | 57% | 0.566 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.3 | -42.4 | 170.8 | -72.5 | 173.3 | -172.2 | -156.9 | 5.3 | 112.5 | E274 G280 I281 L282 | E274-R278 WeakPolarHBondContact O-CB 3.38Å; E274-R278 VanDerWaalsContact O-CG 3.26Å; E274-R278 WeakPolarHBondContact O-CG 3.49Å; E274-R278 PolarHBondContact O-N 2.93Å; E274-R278 IonicContact OE1-CZ 2.85Å; E274-R278 IonicContact OE1-NE 3.01Å; E274-R278 PolarHBondContact OE1-NE 2.9Å; E274-R278 IonicContact OE1-NH2 2.85Å; E274-R278 PolarHBondContact OE1-NH2 3.33Å; R278-G280 VanDerWaalsContact C-N 3.33Å; R278-G280 PolarHBondContact O-N 3.39Å; R278-I281 PolarHBondContact O-N 3.12Å; R278-L282 WeakPolarHBondContact O-CG 3.39Å; R278-L282 PolarHBondContact O-N 2.98Å |
| 279 | A | 75.6 | Confident | 68.3 | Low | 56 Ų | 56 | 101.3 Ų | 101.3 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.9 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | Q275 M276 L282 A283 | Q275-A279 WeakPolarHBondContact O-CB 3.42Å; Q275-A279 PolarHBondContact O-N 2.93Å; M276-A279 PolarHBondContact O-N 3.24Å; A279-L282 PolarHBondContact O-N 3.08Å; A279-A283 WeakPolarHBondContact O-CB 3.37Å; A279-A283 PolarHBondContact O-N 3.33Å |
| 280 | G | 75.6 | Confident | 67.3 | Low | 42 Ų | 42 | 107.7 Ų | 107.7 | 43% | 0.433 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.9 | -39.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | M276 L277 R278 S284 | M276-G280 PolarHBondContact O-N 2.94Å; L277-G280 PolarHBondContact O-N 3.11Å; R278-G280 VanDerWaalsContact C-N 3.33Å; R278-G280 PolarHBondContact O-N 3.39Å; G280-S284 WeakPolarHBondContact O-CB 3.32Å; G280-S284 PolarHBondContact O-N 3.47Å |
| 281 | I | 71.4 | Confident | 66.1 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -46 | 173.1 | -71.2 | 172.1 | 0 | 0 | 0 | 110.8 | L277 R278 S284 L285 | L277-I281 HydrophobicContact CD2-CD1 3.62Å; L277-I281 HydrophobicContact CD2-CG1 4.39Å; L277-I281 WeakPolarHBondContact O-CG1 3.49Å; L277-I281 PolarHBondContact O-N 2.95Å; R278-I281 PolarHBondContact O-N 3.12Å; I281-S284 PolarHBondContact O-N 3.01Å; I281-L285 HydrophobicContact CG2-CD1 3.92Å; I281-L285 WeakPolarHBondContact O-CB 3.2Å; I281-L285 WeakPolarHBondContact O-CG 3.43Å; I281-L285 PolarHBondContact O-N 3.28Å |
| 282 | L | 70.6 | Confident | 64.9 | Low | 99 Ų | 99 | 109.7 Ų | 109.7 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.5 | -41.5 | 179.4 | -71.1 | 172.8 | 0 | 0 | 0 | 112.2 | R278 A279 L285 Q286 | R278-L282 WeakPolarHBondContact O-CG 3.39Å; R278-L282 PolarHBondContact O-N 2.98Å; A279-L282 PolarHBondContact O-N 3.08Å; L282-L285 PolarHBondContact O-N 2.91Å; L282-Q286 WeakPolarHBondContact O-CB 3.26Å; L282-Q286 VanDerWaalsContact O-CG 3.25Å; L282-Q286 WeakPolarHBondContact O-CG 3.44Å; L282-Q286 PolarHBondContact O-N 3.3Å |
| 283 | A | 70.5 | Confident | 63.4 | Low | 50 Ų | 50 | 108.2 Ų | 108.2 | 41% | 0.413 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.7 | -43.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A279 L285 Q286 D287 | A279-A283 WeakPolarHBondContact O-CB 3.37Å; A279-A283 PolarHBondContact O-N 3.33Å; A283-L285 VanDerWaalsContact C-N 3.25Å; A283-L285 PolarHBondContact O-N 2.96Å; A283-Q286 CarbonylContact O-C 3.6Å; A283-Q286 PolarHBondContact O-N 2.83Å; A283-D287 PolarHBondContact O-N 3.28Å |
| 284 | S | 67.3 | Low | 61.6 | Low | 89 Ų | 89 | 106.3 Ų | 106.3 | 62% | 0.622 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.9 | -22.1 | 177.2 | -165.2 | 0 | 0 | 0 | 0 | 113.6 | G280 I281 | G280-S284 WeakPolarHBondContact O-CB 3.32Å; G280-S284 PolarHBondContact O-N 3.47Å; I281-S284 PolarHBondContact O-N 3.01Å |
| 285 | L | 60.1 | Low | 59.9 | Low | 110 Ų | 110 | 110.1 Ų | 110.1 | 58% | 0.576 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.5 | -28.2 | 168.9 | -75.8 | 166.9 | 0 | 0 | 0 | 112.5 | I281 L282 A283 A288 | I281-L285 HydrophobicContact CG2-CD1 3.92Å; I281-L285 WeakPolarHBondContact O-CB 3.2Å; I281-L285 WeakPolarHBondContact O-CG 3.43Å; I281-L285 PolarHBondContact O-N 3.28Å; L282-L285 PolarHBondContact O-N 2.91Å; A283-L285 VanDerWaalsContact C-N 3.25Å; A283-L285 PolarHBondContact O-N 2.96Å; L285-A288 WeakPolarHBondContact O-CB 3.39Å; L285-A288 PolarHBondContact O-N 2.76Å |
| 286 | Q | 54.9 | Low | 58.3 | Low | 155 Ų | 155 | 110.1 Ų | 110.1 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.9 | -21.2 | 176.8 | -73.1 | 164.8 | -11.6 | 0 | 0 | 112.8 | L282 A283 | L282-Q286 WeakPolarHBondContact O-CB 3.26Å; L282-Q286 VanDerWaalsContact O-CG 3.25Å; L282-Q286 WeakPolarHBondContact O-CG 3.44Å; L282-Q286 PolarHBondContact O-N 3.3Å; A283-Q286 CarbonylContact O-C 3.6Å; A283-Q286 PolarHBondContact O-N 2.83Å |
| 287 | D | 50.9 | Low | 57 | Low | 151 Ų | 151 | 112.5 Ų | 112.5 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -2.4 | 163.9 | -88.1 | -23.8 | 0 | 0 | 0 | 113.1 | A283 | A283-D287 PolarHBondContact O-N 3.28Š|
| 288 | A | 49.8 | Very low | 55.4 | Low | 50 Ų | 50 | 112.7 Ų | 112.7 | 41% | 0.413 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -90.2 | 124.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L285 E290 | L285-A288 WeakPolarHBondContact O-CB 3.39Å; L285-A288 PolarHBondContact O-N 2.76Å; A288-E290 PolarHBondContact O-N 3.17Å |
| 289 | P | 44.1 | Very low | 53.5 | Low | 114 Ų | 114 | 109.5 Ų | 109.5 | 74% | 0.74 | 64% | 0.642 | S | S | * | * | trans | -78 | 95.5 | -174.1 | 30 | -34.9 | 0 | 0 | 0 | 112.4 | E291 | P289-E291 PolarHBondContact O-N 2.97Š| ||
| 290 | E | 43.4 | Very low | 52.1 | Low | 194 Ų | 194 | 113.7 Ų | 113.7 | 91% | 0.907 | 65% | 0.65 | S | S | * | * | trans | -73.7 | 63.2 | 163.6 | -70.7 | -159.8 | 147.4 | 0 | 0 | 112 | A288 | A288-E290 PolarHBondContact O-N 3.17Š| ||
| 291 | E | 40.4 | Very low | 50.8 | Low | 138 Ų | 138 | 116.9 Ų | 116.9 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | trans | -166.1 | 127 | 152.3 | -119.6 | 176.8 | -151.9 | 0 | 0 | 112.5 | P289 G293 | P289-E291 PolarHBondContact O-N 2.97Å; E291-G293 VanDerWaalsContact C-N 3.33Å; E291-G293 PolarHBondContact O-N 3.38Å | ||
| 292 | P | 47.2 | Very low | 49.8 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 93% | 0.929 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 74.3 | 178.5 | 33.7 | -35.3 | 0 | 0 | 0 | 111.7 | ||
| 293 | G | 43.6 | Very low | 48.8 | Very low | 72 Ų | 72 | 113.9 Ų | 113.9 | 74% | 0.742 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.3 | -12.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | E291 | E291-G293 VanDerWaalsContact C-N 3.33Å; E291-G293 PolarHBondContact O-N 3.38Å |
| 294 | T | 39.5 | Very low | 48.4 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 59% | 0.589 | 66% | 0.656 | S | S | * | * | trans | -88.2 | 122.4 | -171.9 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | V296 | T294-V296 PolarHBondContact O-N 3.47Š| ||
| 295 | K | 42.5 | Very low | 48.3 | Very low | 162 Ų | 162 | 117.1 Ų | 117.1 | 70% | 0.704 | 66% | 0.66 | S | S | * | * | trans | -61.1 | 130.7 | 175.3 | -91.6 | -177.4 | 169.1 | -176.7 | 0 | 111.7 | E297 | K295-E297 PolarHBondContact O-N 3.35Š| ||
| 296 | V | 45.6 | Very low | 48.5 | Very low | 130 Ų | 130 | 117.5 Ų | 117.5 | 79% | 0.788 | 66% | 0.662 | S | S | * | * | trans | -79.3 | 103.8 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | T294 V298 | T294-V296 PolarHBondContact O-N 3.47Å; V296-V298 HydrophobicContact CG1-CG2 4.27Å; V296-V298 PolarHBondContact O-N 3.27Å | ||
| 297 | E | 47.5 | Very low | 49 | Very low | 179 Ų | 179 | 114.8 Ų | 114.8 | 84% | 0.836 | 64% | 0.644 | S | S | * | * | trans | -79.5 | 102.9 | 175.7 | -68.3 | -158.4 | 145.6 | 0 | 0 | 112.3 | K295 S299 | K295-E297 PolarHBondContact O-N 3.35Å; E297-S299 PolarHBondContact O-N 3.01Å | ||
| 298 | V | 44.9 | Very low | 49.9 | Very low | 95 Ų | 95 | 109.3 Ų | 109.3 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | trans | -84.8 | 112.7 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | V296 K300 A326 | V296-V298 HydrophobicContact CG1-CG2 4.27Å; V296-V298 PolarHBondContact O-N 3.27Å; V298-K300 PolarHBondContact O-N 3.35Å; V298-A326 HydrophobicContact CG1-CB 4.38Å | ||
| 299 | S | 38 | Very low | 50.9 | Low | 84 Ų | 84 | 110.8 Ų | 110.8 | 59% | 0.587 | 61% | 0.614 | S | S | * | * | trans | -65.8 | 127.3 | 179.2 | -77.9 | 0 | 0 | 0 | 0 | 113.2 | E297 S301 S302 | E297-S299 PolarHBondContact O-N 3.01Å; S299-S301 PolarHBondContact O-N 3.19Å; S299-S302 PolarHBondContact O-N 3.34Å | ||
| 300 | K | 46.9 | Very low | 52.3 | Low | 143 Ų | 143 | 109.3 Ų | 109.3 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -66.1 | -3.9 | -173.4 | -63 | -168.7 | 176.1 | -170.7 | 0 | 115.8 | V298 S302 M349 | V298-K300 PolarHBondContact O-N 3.35Å; K300-S302 VanDerWaalsContact C-N 3.31Å; K300-S302 PolarHBondContact O-N 2.94Å; K300-M349 PolarHBondContact NZ-SD 3.09Å |
| 301 | S | 48.2 | Very low | 53.4 | Low | 110 Ų | 110 | 100.1 Ų | 100.1 | 77% | 0.769 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -72.9 | -18.8 | 177.3 | 47 | 0 | 0 | 0 | 0 | 114.3 | S299 | S299-S301 PolarHBondContact O-N 3.19Š|
| 302 | S | 49.3 | Very low | 55 | Low | 95 Ų | 95 | 98.7 Ų | 98.7 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -93.6 | 11.3 | -170.8 | -59.3 | 0 | 0 | 0 | 0 | 115 | S299 K300 | S299-S302 PolarHBondContact O-N 3.34Å; K300-S302 VanDerWaalsContact C-N 3.31Å; K300-S302 PolarHBondContact O-N 2.94Å |
| 303 | V | 51.3 | Low | 56.4 | Low | 31 Ų | 31 | 100.1 Ų | 100.1 | 19% | 0.188 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -116.5 | 122.7 | -173 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | F305 L308 V322 L325 | V303-F305 PolarHBondContact O-N 2.9Å; V303-L308 HydrophobicContact CG1-CD1 4.35Å; V303-V322 HydrophobicContact CG2-CG1 4.48Å; V303-L325 HydrophobicContact CG1-CD2 3.8Å |
| 304 | S | 61.8 | Low | 57.3 | Low | 50 Ų | 50 | 101.5 Ų | 101.5 | 35% | 0.35 | 53% | 0.527 | S | S | . | . | trans | -71 | 99 | 177.9 | 58 | 0 | 0 | 0 | 0 | 111.3 | L306 R307 L308 | S304-L306 PolarHBondContact O-N 3.04Å; S304-R307 PolarHBondContact O-N 3.04Å; S304-R307 WeakPolarHBondContact OG-CD 3.36Å; S304-R307 WeakPolarHBondContact OG-CG 3.31Å; S304-L308 PolarHBondContact O-N 2.88Å | ||
| 305 | F | 64.5 | Low | 58.7 | Low | 158 Ų | 158 | 100.1 Ų | 100.1 | 69% | 0.693 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -42 | -43.9 | -178 | -175.6 | -97.2 | 0 | 0 | 0 | 114.4 | V303 R307 L308 Q309 | V303-F305 PolarHBondContact O-N 2.9Å; F305-R307 VanDerWaalsContact C-N 3.33Å; F305-R307 PolarHBondContact O-N 3.4Å; F305-L308 WeakPolarHBondContact O-CB 3.21Å; F305-L308 PolarHBondContact O-N 2.95Å; F305-Q309 PolarHBondContact O-N 2.94Å |
| 306 | L | 64.9 | Low | 60 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -37.6 | -179.6 | -151.1 | 168.3 | 0 | 0 | 0 | 112.7 | S304 Q310 | S304-L306 PolarHBondContact O-N 3.04Å; L306-Q310 HydrophobicContact CD2-CG 4.37Å; L306-Q310 WeakPolarHBondContact O-CG 3.37Å; L306-Q310 PolarHBondContact O-N 3.39Å; L306-Q310 VanDerWaalsContact O-N 3.13Å |
| 307 | R | 64.5 | Low | 61.5 | Low | 97 Ų | 97 | 92 Ų | 92 | 37% | 0.366 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.8 | -33.3 | 176.9 | -66.6 | -173.9 | -176.2 | 156.7 | -7 | 112.8 | S304 F305 Q309 Q310 L311 L325 R329 L331 | S304-R307 PolarHBondContact O-N 3.04Å; S304-R307 WeakPolarHBondContact OG-CD 3.36Å; S304-R307 WeakPolarHBondContact OG-CG 3.31Å; F305-R307 VanDerWaalsContact C-N 3.33Å; F305-R307 PolarHBondContact O-N 3.4Å; R307-Q309 VanDerWaalsContact C-N 3.34Å; R307-Q310 WeakPolarHBondContact O-CB 3.38Å; R307-Q310 PolarHBondContact O-N 2.92Å; R307-L311 PolarHBondContact O-N 3.45Å; R307-L311 VanDerWaalsContact O-N 3.08Å; R307-L325 HydrophobicContact CB-CD1 3.94Å; R307-L325 HydrophobicContact CB-CD2 4.11Å; R307-R329 PolarHBondContact NH1-O 2.95Å; R307-L331 HydrophobicContact CB-CD1 3.99Å; R307-L331 HydrophobicContact CG-CD1 4.38Å |
| 308 | L | 69.5 | Low | 62.5 | Low | 36 Ų | 36 | 86.1 Ų | 86.1 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 172.2 | -157 | -178.9 | 0 | 0 | 0 | 109.3 | V303 S304 F305 Q310 L311 E312 T318 V322 | V303-L308 HydrophobicContact CG1-CD1 4.35Å; S304-L308 PolarHBondContact O-N 2.88Å; F305-L308 WeakPolarHBondContact O-CB 3.21Å; F305-L308 PolarHBondContact O-N 2.95Å; L308-Q310 PolarHBondContact O-N 2.82Å; L308-L311 PolarHBondContact O-N 2.85Å; L308-L311 VanDerWaalsContact O-N 3.11Å; L308-E312 WeakPolarHBondContact O-CB 3.49Å; L308-E312 PolarHBondContact O-N 3.4Å; L308-T318 HydrophobicContact CD2-CG2 4.05Å; L308-V322 HydrophobicContact CD1-CG2 3.54Å; L308-V322 HydrophobicContact CD2-CG2 4.49Å; L308-V322 HydrophobicContact CG-CG2 3.94Å |
| 309 | Q | 71.8 | Confident | 63.6 | Low | 82 Ų | 82 | 85.6 Ų | 85.6 | 38% | 0.383 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -25.5 | 176 | -162.1 | -178.9 | 30.1 | 0 | 0 | 113.5 | F305 R307 K313 | F305-Q309 PolarHBondContact O-N 2.94Å; R307-Q309 VanDerWaalsContact C-N 3.34Å; Q309-K313 WeakPolarHBondContact O-CB 3.39Å; Q309-K313 WeakPolarHBondContact O-CG 3.25Å; Q309-K313 PolarHBondContact O-N 3.34Å; Q309-K313 VanDerWaalsContact O-N 3.16Å |
| 310 | Q | 72.2 | Confident | 65 | Low | 82 Ų | 82 | 83.5 Ų | 83.5 | 38% | 0.383 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.9 | -40.7 | 171.9 | -75.4 | 173.5 | -47.4 | 0 | 0 | 112.3 | L306 R307 L308 K313 M314 L331 | L306-Q310 HydrophobicContact CD2-CG 4.37Å; L306-Q310 WeakPolarHBondContact O-CG 3.37Å; L306-Q310 PolarHBondContact O-N 3.39Å; L306-Q310 VanDerWaalsContact O-N 3.13Å; R307-Q310 WeakPolarHBondContact O-CB 3.38Å; R307-Q310 PolarHBondContact O-N 2.92Å; L308-Q310 PolarHBondContact O-N 2.82Å; Q310-K313 PolarHBondContact O-N 2.93Å; Q310-M314 WeakPolarHBondContact O-CE 3.45Å; Q310-M314 PolarHBondContact O-N 2.92Å; Q310-L331 HydrophobicContact CB-CD1 4.36Å |
| 311 | L | 67.1 | Low | 66.1 | Low | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 174.9 | -68.3 | 172.8 | 0 | 0 | 0 | 111.8 | R307 L308 K313 M314 G315 F316 A321 L325 L331 A334 I335 L338 | R307-L311 PolarHBondContact O-N 3.45Å; R307-L311 VanDerWaalsContact O-N 3.08Å; L308-L311 PolarHBondContact O-N 2.85Å; L308-L311 VanDerWaalsContact O-N 3.11Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 3.32Å; L311-M314 HydrophobicContact CD2-CE 4.19Å; L311-M314 CarbonylContact O-C 3.54Å; L311-M314 WeakPolarHBondContact O-CA 3.38Å; L311-M314 PolarHBondContact O-N 3.49Å; L311-G315 PolarHBondContact O-N 3.31Å; L311-F316 HydrophobicContact CD2-CD2 4.19Å; L311-F316 PolarHBondContact O-N 2.84Å; L311-A321 HydrophobicContact CB-CB 4.15Å; L311-A321 HydrophobicContact CD1-CB 3.94Å; L311-L325 HydrophobicContact CD1-CD1 3.85Å; L311-L331 HydrophobicContact CD1-CD1 4.44Å; L311-L331 HydrophobicContact CD2-CD1 4.01Å; L311-L331 HydrophobicContact CG-CD1 3.9Å; L311-A334 HydrophobicContact CD1-CB 4.33Å; L311-I335 HydrophobicContact CD2-CD1 4.28Å; L311-I335 HydrophobicContact CD2-CG1 3.52Å; L311-L338 HydrophobicContact CD1-CD1 4.28Å; L311-L338 HydrophobicContact CD2-CD1 4.21Å |
| 312 | E | 74.7 | Confident | 67 | Low | 108 Ų | 108 | 73 Ų | 73 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 173.6 | -177.4 | -178 | -151.4 | 0 | 0 | 111.4 | L308 M314 G315 T318 | L308-E312 WeakPolarHBondContact O-CB 3.49Å; L308-E312 PolarHBondContact O-N 3.4Å; E312-M314 PolarHBondContact O-N 2.92Å; E312-G315 PolarHBondContact O-N 2.89Å; E312-T318 HydrophobicContact CB-CG2 4.28Å; E312-T318 HydrophobicContact CG-CG2 4.11Å |
| 313 | K | 75.8 | Confident | 67.9 | Low | 173 Ų | 173 | 71.3 Ų | 71.3 | 75% | 0.752 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.2 | -14.9 | 173.9 | -80.1 | -176.8 | 174.3 | -174.7 | 0 | 114.9 | Q309 Q310 L311 | Q309-K313 WeakPolarHBondContact O-CB 3.39Å; Q309-K313 WeakPolarHBondContact O-CG 3.25Å; Q309-K313 PolarHBondContact O-N 3.34Å; Q309-K313 VanDerWaalsContact O-N 3.16Å; Q310-K313 PolarHBondContact O-N 2.93Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 3.32Å |
| 314 | M | 62.1 | Low | 68.6 | Low | 102 Ų | 102 | 69.9 Ų | 69.9 | 50% | 0.502 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 8.1 | 170.7 | -69.4 | -173.6 | -71 | 0 | 0 | 112.7 | Q310 L311 E312 F316 I335 | Q310-M314 WeakPolarHBondContact O-CE 3.45Å; Q310-M314 PolarHBondContact O-N 2.92Å; L311-M314 HydrophobicContact CD2-CE 4.19Å; L311-M314 CarbonylContact O-C 3.54Å; L311-M314 WeakPolarHBondContact O-CA 3.38Å; L311-M314 PolarHBondContact O-N 3.49Å; E312-M314 PolarHBondContact O-N 2.92Å; M314-F316 HydrophobicContact CB-CD2 3.95Å; M314-F316 HydrophobicContact CB-CE2 3.96Å; M314-I335 HydrophobicContact CE-CD1 3.78Å; M314-I335 HydrophobicContact CE-CG1 4.43Å |
| 315 | G | 68.9 | Low | 68.9 | Low | 67 Ų | 67 | 67.8 Ų | 67.8 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 6.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L311 E312 | L311-G315 PolarHBondContact O-N 3.31Å; E312-G315 PolarHBondContact O-N 2.89Å |
| 316 | F | 70.8 | Confident | 69 | Low | 47 Ų | 47 | 61.9 Ų | 61.9 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | trans | -77 | 137.4 | 178.6 | -66.6 | -76.5 | 0 | 0 | 0 | 111.6 | L311 M314 T318 I335 L338 I339 | L311-F316 HydrophobicContact CD2-CD2 4.19Å; L311-F316 PolarHBondContact O-N 2.84Å; M314-F316 HydrophobicContact CB-CD2 3.95Å; M314-F316 HydrophobicContact CB-CE2 3.96Å; F316-T318 PolarHBondContact O-N 2.93Å; F316-I335 HydrophobicContact CZ-CG2 4.49Å; F316-L338 HydrophobicContact CB-CD1 4.19Å; F316-L338 HydrophobicContact CD1-CB 3.79Å; F316-L338 HydrophobicContact CD1-CD1 4.06Å; F316-L338 HydrophobicContact CD1-CG 4.4Å; F316-L338 HydrophobicContact CE1-CB 3.8Å; F316-L338 HydrophobicContact CG-CD1 4Å; F316-I339 HydrophobicContact CE1-CG1 4.36Å; F316-I339 HydrophobicContact CZ-CG1 4.19Å | ||
| 317 | P | 77.7 | Confident | 69 | Low | 75 Ų | 75 | 60 Ų | 60 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | trans | -63.2 | 129.8 | 178.1 | 24.9 | -32.5 | 0 | 0 | 0 | 110.7 | D319 K320 A321 | P317-D319 VanDerWaalsContact C-N 3.26Å; P317-D319 PolarHBondContact O-N 3.28Å; P317-K320 HydrophobicContact CG-CB 4.3Å; P317-K320 PolarHBondContact O-N 3.34Å; P317-A321 VanDerWaalsContact O-CB 3.32Å; P317-A321 WeakPolarHBondContact O-CB 3.49Å; P317-A321 PolarHBondContact O-N 2.95Å | ||
| 318 | T | 68 | Low | 69.1 | Low | 54 Ų | 54 | 57.4 Ų | 57.4 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -32.1 | -169 | 45.9 | 0 | 0 | 0 | 0 | 113.3 | L308 E312 F316 A321 V322 | L308-T318 HydrophobicContact CD2-CG2 4.05Å; E312-T318 HydrophobicContact CB-CG2 4.28Å; E312-T318 HydrophobicContact CG-CG2 4.11Å; F316-T318 PolarHBondContact O-N 2.93Å; T318-A321 PolarHBondContact O-N 2.94Å; T318-V322 VanDerWaalsContact O-CG2 3.28Å; T318-V322 WeakPolarHBondContact O-CG2 3.31Å; T318-V322 PolarHBondContact O-N 3.24Å |
| 319 | D | 66.9 | Low | 68.8 | Low | 85 Ų | 85 | 65 Ų | 65 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -55.3 | 177.9 | -58.3 | -55 | 0 | 0 | 0 | 112.3 | P317 A321 V322 V323 M349 | P317-D319 VanDerWaalsContact C-N 3.26Å; P317-D319 PolarHBondContact O-N 3.28Å; D319-A321 VanDerWaalsContact C-N 3.26Å; D319-A321 PolarHBondContact O-N 3.04Å; D319-V322 PolarHBondContact O-N 2.94Å; D319-V323 PolarHBondContact O-N 3.01Å; D319-M349 WeakPolarHBondContact OD1-CE 3.34Å |
| 320 | K | 68.2 | Low | 68.5 | Low | 39 Ų | 39 | 67.4 Ų | 67.4 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 173.8 | -70.4 | -169.6 | 173.1 | -178.5 | 0 | 110.6 | P317 V322 V323 A324 L338 D341 V343 E345 | P317-K320 HydrophobicContact CG-CB 4.3Å; P317-K320 PolarHBondContact O-N 3.34Å; K320-V322 PolarHBondContact O-N 3.05Å; K320-V323 PolarHBondContact O-N 3Å; K320-A324 WeakPolarHBondContact O-CB 3.22Å; K320-A324 PolarHBondContact O-N 3.48Å; K320-L338 HydrophobicContact CB-CD2 3.69Å; K320-D341 IonicContact NZ-OD1 2.94Å; K320-D341 PolarHBondContact NZ-OD1 2.97Å; K320-D341 IonicContact NZ-OD2 3Å; K320-D341 PolarHBondContact NZ-OD2 3.28Å; K320-V343 HydrophobicContact CB-CB 4.42Å; K320-V343 HydrophobicContact CB-CG1 4.04Å; K320-V343 HydrophobicContact CD-CB 4.41Å; K320-V343 HydrophobicContact CG-CB 4.38Å; K320-V343 HydrophobicContact CG-CG1 4.08Å; K320-E345 WeakPolarHBondContact CE-OE1 3.48Å; K320-E345 IonicContact NZ-OE1 3.42Å; K320-E345 PolarHBondContact NZ-OE1 3.46Å |
| 321 | A | 68.9 | Low | 68.2 | Low | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L311 P317 T318 D319 L325 L338 | L311-A321 HydrophobicContact CB-CB 4.15Å; L311-A321 HydrophobicContact CD1-CB 3.94Å; P317-A321 VanDerWaalsContact O-CB 3.32Å; P317-A321 WeakPolarHBondContact O-CB 3.49Å; P317-A321 PolarHBondContact O-N 2.95Å; T318-A321 PolarHBondContact O-N 2.94Å; D319-A321 VanDerWaalsContact C-N 3.26Å; D319-A321 PolarHBondContact O-N 3.04Å; A321-L325 WeakPolarHBondContact O-CB 3.34Å; A321-L325 PolarHBondContact O-N 3.32Å; A321-L338 HydrophobicContact CB-CD1 4.26Å |
| 322 | V | 67.4 | Low | 68.4 | Low | 31 Ų | 31 | 70.2 Ų | 70.2 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 174.9 | 163.8 | 0 | 0 | 0 | 0 | 111.2 | V303 L308 T318 D319 K320 L325 A326 | V303-V322 HydrophobicContact CG2-CG1 4.48Å; L308-V322 HydrophobicContact CD1-CG2 3.54Å; L308-V322 HydrophobicContact CD2-CG2 4.49Å; L308-V322 HydrophobicContact CG-CG2 3.94Å; T318-V322 VanDerWaalsContact O-CG2 3.28Å; T318-V322 WeakPolarHBondContact O-CG2 3.31Å; T318-V322 PolarHBondContact O-N 3.24Å; D319-V322 PolarHBondContact O-N 2.94Å; K320-V322 PolarHBondContact O-N 3.05Å; V322-L325 PolarHBondContact O-N 3.33Å; V322-A326 VanDerWaalsContact O-CB 3.32Å; V322-A326 WeakPolarHBondContact O-CB 3.48Å; V322-A326 PolarHBondContact O-N 2.75Å |
| 323 | V | 68.5 | Low | 68.1 | Low | 60 Ų | 60 | 66.4 Ų | 66.4 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 178.3 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | D319 K320 L325 A326 A327 V343 A347 | D319-V323 PolarHBondContact O-N 3.01Å; K320-V323 PolarHBondContact O-N 3Å; V323-L325 VanDerWaalsContact C-N 3.34Å; V323-L325 PolarHBondContact O-N 3.47Å; V323-A326 PolarHBondContact O-N 2.93Å; V323-A327 PolarHBondContact O-N 3.27Å; V323-V343 HydrophobicContact CB-CG1 4.01Å; V323-V343 HydrophobicContact CG1-CG1 3.94Å; V323-A347 HydrophobicContact CG2-CB 3.92Å |
| 324 | A | 66.6 | Low | 67.6 | Low | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K320 T328 A334 L337 L338 V343 | K320-A324 WeakPolarHBondContact O-CB 3.22Å; K320-A324 PolarHBondContact O-N 3.48Å; A324-T328 PolarHBondContact O-N 3.22Å; A324-T328 PolarHBondContact O-OG1 3.15Å; A324-A334 HydrophobicContact CB-CB 4.02Å; A324-L337 HydrophobicContact CB-CB 4.44Å; A324-L338 HydrophobicContact CB-CD1 4.21Å; A324-L338 HydrophobicContact CB-CD2 4.05Å; A324-L338 HydrophobicContact CB-CG 3.85Å; A324-V343 HydrophobicContact CB-CG2 4.25Å |
| 325 | L | 68.1 | Low | 67.7 | Low | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.7 | -30.2 | 178.2 | -153 | 104.6 | 0 | 0 | 0 | 112.7 | V303 R307 L311 A321 V322 V323 R329 L331 A334 | V303-L325 HydrophobicContact CG1-CD2 3.8Å; R307-L325 HydrophobicContact CB-CD1 3.94Å; R307-L325 HydrophobicContact CB-CD2 4.11Å; L311-L325 HydrophobicContact CD1-CD1 3.85Å; A321-L325 WeakPolarHBondContact O-CB 3.34Å; A321-L325 PolarHBondContact O-N 3.32Å; V322-L325 PolarHBondContact O-N 3.33Å; V323-L325 VanDerWaalsContact C-N 3.34Å; V323-L325 PolarHBondContact O-N 3.47Å; L325-R329 VanDerWaalsContact O-CA 3.27Å; L325-R329 WeakPolarHBondContact O-CA 3.48Å; L325-R329 PolarHBondContact O-N 3.08Å; L325-L331 HydrophobicContact CD1-CD1 4.35Å; L325-A334 HydrophobicContact CB-CB 4.38Å; L325-A334 HydrophobicContact CD1-CB 4Å |
| 326 | A | 67.1 | Low | 67.8 | Low | 33 Ų | 33 | 55.1 Ų | 55.1 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V298 V322 V323 | V298-A326 HydrophobicContact CG1-CB 4.38Å; V322-A326 VanDerWaalsContact O-CB 3.32Å; V322-A326 WeakPolarHBondContact O-CB 3.48Å; V322-A326 PolarHBondContact O-N 2.75Å; V323-A326 PolarHBondContact O-N 2.93Å |
| 327 | A | 65.3 | Low | 67.6 | Low | 79 Ų | 79 | 55.6 Ų | 55.6 | 65% | 0.653 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.2 | -40 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V323 | V323-A327 PolarHBondContact O-N 3.27Å |
| 328 | T | 65.8 | Low | 67 | Low | 43 Ų | 43 | 52.8 Ų | 52.8 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -104.4 | -24.7 | -171 | 58.7 | 0 | 0 | 0 | 0 | 114.9 | A324 Q330 A334 L337 | A324-T328 PolarHBondContact O-N 3.22Å; A324-T328 PolarHBondContact O-OG1 3.15Å; T328-Q330 PolarHBondContact O-N 3.13Å; T328-Q330 PolarHBondContact OG1-O 3.18Å; T328-A334 PolarHBondContact OG1-N 3.25Å; T328-L337 HydrophobicContact CG2-CD1 3.49Å; T328-L337 VanDerWaalsContact CG2-CD1 3.49Å; T328-L337 HydrophobicContact CG2-CG 4.3Å |
| 329 | R | 63.2 | Low | 67.1 | Low | 196 Ų | 196 | 55.7 Ų | 55.7 | 74% | 0.74 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 54.7 | 9.5 | -174.7 | -56.3 | -176.4 | 179.7 | -176.1 | 0.3 | 115.6 | R307 L325 | R307-R329 PolarHBondContact NH1-O 2.95Å; L325-R329 VanDerWaalsContact O-CA 3.27Å; L325-R329 WeakPolarHBondContact O-CA 3.48Å; L325-R329 PolarHBondContact O-N 3.08Å |
| 330 | Q | 66.1 | Low | 67.1 | Low | 131 Ų | 131 | 56 Ų | 56 | 61% | 0.612 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -131 | 146 | 178.8 | -64 | -172.6 | 0.1 | 0 | 0 | 109.6 | T328 A334 | T328-Q330 PolarHBondContact O-N 3.13Å; T328-Q330 PolarHBondContact OG1-O 3.18Å; Q330-A334 WeakPolarHBondContact O-CB 3.33Å; Q330-A334 PolarHBondContact O-N 3.42Å |
| 331 | L | 65.9 | Low | 66.7 | Low | 31 Ų | 31 | 58.7 Ų | 58.7 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -49.6 | -173.4 | -171.5 | 73.6 | 0 | 0 | 0 | 111.2 | R307 Q310 L311 L325 G333 A334 I335 | R307-L331 HydrophobicContact CB-CD1 3.99Å; R307-L331 HydrophobicContact CG-CD1 4.38Å; Q310-L331 HydrophobicContact CB-CD1 4.36Å; L311-L331 HydrophobicContact CD1-CD1 4.44Å; L311-L331 HydrophobicContact CD2-CD1 4.01Å; L311-L331 HydrophobicContact CG-CD1 3.9Å; L325-L331 HydrophobicContact CD1-CD1 4.35Å; L331-G333 PolarHBondContact O-N 3.44Å; L331-A334 WeakPolarHBondContact O-CB 3.36Å; L331-A334 PolarHBondContact O-N 3.41Å; L331-A334 VanDerWaalsContact O-N 3.15Å; L331-I335 HydrophobicContact CD2-CD1 4.49Å; L331-I335 HydrophobicContact CG-CD1 4.07Å; L331-I335 WeakPolarHBondContact O-CG1 3.5Å; L331-I335 PolarHBondContact O-N 3.04Å |
| 332 | D | 69.6 | Low | 66.1 | Low | 112 Ų | 112 | 67.4 Ų | 67.4 | 60% | 0.599 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.7 | -38.1 | -171.2 | -42.7 | -66.6 | 0 | 0 | 0 | 111.8 | I335 S336 | D332-I335 WeakPolarHBondContact O-CB 3.43Å; D332-I335 PolarHBondContact O-N 3.32Å; D332-S336 PolarHBondContact O-N 2.68Å; D332-S336 PolarHBondContact O-OG 3.36Å |
| 333 | G | 69.4 | Low | 65.5 | Low | 27 Ų | 27 | 66.5 Ų | 66.5 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L331 S336 L337 | L331-G333 PolarHBondContact O-N 3.44Å; G333-S336 PolarHBondContact O-N 2.93Å; G333-L337 PolarHBondContact O-N 2.85Å |
| 334 | A | 65 | Low | 64.6 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L311 A324 L325 T328 Q330 L331 L337 L338 | L311-A334 HydrophobicContact CD1-CB 4.33Å; A324-A334 HydrophobicContact CB-CB 4.02Å; L325-A334 HydrophobicContact CB-CB 4.38Å; L325-A334 HydrophobicContact CD1-CB 4Å; T328-A334 PolarHBondContact OG1-N 3.25Å; Q330-A334 WeakPolarHBondContact O-CB 3.33Å; Q330-A334 PolarHBondContact O-N 3.42Å; L331-A334 WeakPolarHBondContact O-CB 3.36Å; L331-A334 PolarHBondContact O-N 3.41Å; L331-A334 VanDerWaalsContact O-N 3.15Å; A334-L337 PolarHBondContact O-N 3.38Å; A334-L338 WeakPolarHBondContact O-CD1 3.43Å; A334-L338 VanDerWaalsContact O-CG 3.22Å; A334-L338 WeakPolarHBondContact O-CG 3.36Å; A334-L338 PolarHBondContact O-N 2.73Å; A334-L338 VanDerWaalsContact O-N 3.09Å |
| 335 | I | 64.8 | Low | 63.8 | Low | 33 Ų | 33 | 73.8 Ų | 73.8 | 17% | 0.169 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 174.9 | -66.5 | 166.9 | 0 | 0 | 0 | 110.7 | L311 M314 F316 L331 D332 L337 L338 I339 | L311-I335 HydrophobicContact CD2-CD1 4.28Å; L311-I335 HydrophobicContact CD2-CG1 3.52Å; M314-I335 HydrophobicContact CE-CD1 3.78Å; M314-I335 HydrophobicContact CE-CG1 4.43Å; F316-I335 HydrophobicContact CZ-CG2 4.49Å; L331-I335 HydrophobicContact CD2-CD1 4.49Å; L331-I335 HydrophobicContact CG-CD1 4.07Å; L331-I335 WeakPolarHBondContact O-CG1 3.5Å; L331-I335 PolarHBondContact O-N 3.04Å; D332-I335 WeakPolarHBondContact O-CB 3.43Å; D332-I335 PolarHBondContact O-N 3.32Å; I335-L337 PolarHBondContact O-N 2.86Å; I335-L338 PolarHBondContact O-N 3.2Å; I335-I339 HydrophobicContact CG2-CD1 3.57Å; I335-I339 HydrophobicContact CG2-CG1 4.26Å; I335-I339 WeakPolarHBondContact O-CG1 3.32Å; I335-I339 PolarHBondContact O-N 2.73Å |
| 336 | S | 70.6 | Confident | 62.6 | Low | 73 Ų | 73 | 81.9 Ų | 81.9 | 51% | 0.51 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59 | -43 | 177.2 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | D332 G333 L338 I339 D340 | D332-S336 PolarHBondContact O-N 2.68Å; D332-S336 PolarHBondContact O-OG 3.36Å; G333-S336 PolarHBondContact O-N 2.93Å; S336-L338 VanDerWaalsContact C-N 3.3Å; S336-L338 PolarHBondContact O-N 3.06Å; S336-I339 PolarHBondContact O-N 3Å; S336-D340 PolarHBondContact O-N 3Å |
| 337 | L | 65.9 | Low | 61.5 | Low | 56 Ų | 56 | 83.1 Ų | 83.1 | 29% | 0.293 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.1 | -29.5 | 177.5 | -71.4 | -176.8 | 0 | 0 | 0 | 113.6 | A324 T328 G333 A334 I335 D341 R342 V343 | A324-L337 HydrophobicContact CB-CB 4.44Å; T328-L337 HydrophobicContact CG2-CD1 3.49Å; T328-L337 VanDerWaalsContact CG2-CD1 3.49Å; T328-L337 HydrophobicContact CG2-CG 4.3Å; G333-L337 PolarHBondContact O-N 2.85Å; A334-L337 PolarHBondContact O-N 3.38Å; I335-L337 PolarHBondContact O-N 2.86Å; L337-D341 PolarHBondContact O-N 3.05Å; L337-R342 PolarHBondContact O-N 3.03Å; L337-V343 HydrophobicContact CB-CG2 4.43Å |
| 338 | L | 66.8 | Low | 60.2 | Low | 16 Ų | 16 | 84.2 Ų | 84.2 | 8% | 0.084 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -79 | -30.3 | 176.3 | -68.2 | 165 | 0 | 0 | 0 | 112.7 | L311 F316 K320 A321 A324 A334 I335 S336 V343 | L311-L338 HydrophobicContact CD1-CD1 4.28Å; L311-L338 HydrophobicContact CD2-CD1 4.21Å; F316-L338 HydrophobicContact CB-CD1 4.19Å; F316-L338 HydrophobicContact CD1-CB 3.79Å; F316-L338 HydrophobicContact CD1-CD1 4.06Å; F316-L338 HydrophobicContact CD1-CG 4.4Å; F316-L338 HydrophobicContact CE1-CB 3.8Å; F316-L338 HydrophobicContact CG-CD1 4Å; K320-L338 HydrophobicContact CB-CD2 3.69Å; A321-L338 HydrophobicContact CB-CD1 4.26Å; A324-L338 HydrophobicContact CB-CD1 4.21Å; A324-L338 HydrophobicContact CB-CD2 4.05Å; A324-L338 HydrophobicContact CB-CG 3.85Å; A334-L338 WeakPolarHBondContact O-CD1 3.43Å; A334-L338 VanDerWaalsContact O-CG 3.22Å; A334-L338 WeakPolarHBondContact O-CG 3.36Å; A334-L338 PolarHBondContact O-N 2.73Å; A334-L338 VanDerWaalsContact O-N 3.09Å; I335-L338 PolarHBondContact O-N 3.2Å; S336-L338 VanDerWaalsContact C-N 3.3Å; S336-L338 PolarHBondContact O-N 3.06Å; L338-V343 HydrophobicContact CD2-CG2 4.35Å |
| 339 | I | 69 | Low | 58.6 | Low | 115 Ų | 115 | 86.1 Ų | 86.1 | 59% | 0.59 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -76.8 | -39.6 | 176.4 | -70.6 | 173.5 | 0 | 0 | 0 | 111.3 | F316 I335 S336 D341 | F316-I339 HydrophobicContact CE1-CG1 4.36Å; F316-I339 HydrophobicContact CZ-CG1 4.19Å; I335-I339 HydrophobicContact CG2-CD1 3.57Å; I335-I339 HydrophobicContact CG2-CG1 4.26Å; I335-I339 WeakPolarHBondContact O-CG1 3.32Å; I335-I339 PolarHBondContact O-N 2.73Å; S336-I339 PolarHBondContact O-N 3Å; I339-D341 PolarHBondContact O-N 3.5Å |
| 340 | D | 66.6 | Low | 57.1 | Low | 93 Ų | 93 | 82.4 Ų | 82.4 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -0.6 | 174.1 | -85.6 | 26.3 | 0 | 0 | 0 | 113.2 | S336 R342 | S336-D340 PolarHBondContact O-N 3Å; D340-R342 HydrophobicContact CB-CG 3.86Å; D340-R342 WeakPolarHBondContact O-CG 3.26Å; D340-R342 PolarHBondContact O-N 2.96Å; D340-R342 VanDerWaalsContact O-N 3.08Å; D340-R342 IonicContact OD2-CZ 3.38Å; D340-R342 IonicContact OD2-NE 2.73Å; D340-R342 PolarHBondContact OD2-NE 2.96Å; D340-R342 IonicContact OD2-NH2 3.12Å; D340-R342 PolarHBondContact OD2-NH2 3Å |
| 341 | D | 60.8 | Low | 55.5 | Low | 94 Ų | 94 | 81.7 Ų | 81.7 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.6 | 35.2 | -174.2 | -151.2 | 10 | 0 | 0 | 0 | 115.5 | K320 L337 I339 V343 | K320-D341 IonicContact NZ-OD1 2.94Å; K320-D341 PolarHBondContact NZ-OD1 2.97Å; K320-D341 IonicContact NZ-OD2 3Å; K320-D341 PolarHBondContact NZ-OD2 3.28Å; L337-D341 PolarHBondContact O-N 3.05Å; I339-D341 PolarHBondContact O-N 3.5Å; D341-V343 PolarHBondContact O-N 2.94Å; D341-V343 VanDerWaalsContact O-N 3.13Å |
| 342 | R | 56.5 | Low | 53.8 | Low | 184 Ų | 184 | 90.7 Ų | 90.7 | 69% | 0.694 | 50% | 0.498 | S | S | * | . | trans | -80.1 | 15.7 | 179.9 | -58.5 | -176.6 | -166.3 | -124 | 2.2 | 113.4 | L337 D340 | L337-R342 PolarHBondContact O-N 3.03Å; D340-R342 HydrophobicContact CB-CG 3.86Å; D340-R342 WeakPolarHBondContact O-CG 3.26Å; D340-R342 PolarHBondContact O-N 2.96Å; D340-R342 VanDerWaalsContact O-N 3.08Å; D340-R342 IonicContact OD2-CZ 3.38Å; D340-R342 IonicContact OD2-NE 2.73Å; D340-R342 PolarHBondContact OD2-NE 2.96Å; D340-R342 IonicContact OD2-NH2 3.12Å; D340-R342 PolarHBondContact OD2-NH2 3Å | ||
| 343 | V | 54.9 | Low | 52 | Low | 12 Ų | 12 | 88.4 Ų | 88.4 | 7% | 0.073 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -101.5 | 92.7 | -178 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | K320 V323 A324 L337 L338 D341 | K320-V343 HydrophobicContact CB-CB 4.42Å; K320-V343 HydrophobicContact CB-CG1 4.04Å; K320-V343 HydrophobicContact CD-CB 4.41Å; K320-V343 HydrophobicContact CG-CB 4.38Å; K320-V343 HydrophobicContact CG-CG1 4.08Å; V323-V343 HydrophobicContact CB-CG1 4.01Å; V323-V343 HydrophobicContact CG1-CG1 3.94Å; A324-V343 HydrophobicContact CB-CG2 4.25Å; L337-V343 HydrophobicContact CB-CG2 4.43Å; L338-V343 HydrophobicContact CD2-CG2 4.35Å; D341-V343 PolarHBondContact O-N 2.94Å; D341-V343 VanDerWaalsContact O-N 3.13Å |
| 344 | G | 49.3 | Very low | 50.1 | Low | 60 Ų | 60 | 96.7 Ų | 96.7 | 62% | 0.619 | 53% | 0.529 | S | S | * | . | trans | -55.3 | 141.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E346 | G344-E346 VanDerWaalsContact C-N 3.32Å; G344-E346 PolarHBondContact O-N 2.94Å | ||
| 345 | E | 48.6 | Very low | 48.7 | Very low | 155 Ų | 155 | 104.3 Ų | 104.3 | 72% | 0.724 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -3.8 | -159.6 | -48.5 | -156.9 | 122.6 | 0 | 0 | 114.9 | K320 A347 | K320-E345 WeakPolarHBondContact CE-OE1 3.48Å; K320-E345 IonicContact NZ-OE1 3.42Å; K320-E345 PolarHBondContact NZ-OE1 3.46Å; E345-A347 VanDerWaalsContact C-N 3.27Å; E345-A347 PolarHBondContact O-N 3.08Å |
| 346 | E | 43.9 | Very low | 47.2 | Very low | 176 Ų | 176 | 107.6 Ų | 107.6 | 82% | 0.822 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 5.5 | -173.1 | -58.5 | -169 | 131.2 | 0 | 0 | 114.8 | G344 V348 | G344-E346 VanDerWaalsContact C-N 3.32Å; G344-E346 PolarHBondContact O-N 2.94Å; E346-V348 PolarHBondContact O-N 2.77Å |
| 347 | A | 43.5 | Very low | 45.5 | Very low | 59 Ų | 59 | 111.9 Ų | 111.9 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | trans | -75.1 | 53.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V323 E345 M349 | V323-A347 HydrophobicContact CG2-CB 3.92Å; E345-A347 VanDerWaalsContact C-N 3.27Å; E345-A347 PolarHBondContact O-N 3.08Å; A347-M349 PolarHBondContact O-N 2.97Å | ||
| 348 | V | 39.1 | Very low | 44.4 | Very low | 102 Ų | 102 | 114.2 Ų | 114.2 | 62% | 0.618 | 63% | 0.627 | S | S | * | * | trans | -62.7 | 112.5 | -175.2 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | E346 | E346-V348 PolarHBondContact O-N 2.77Š| ||
| 349 | M | 31.9 | Very low | 42.9 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 41% | 0.414 | 66% | 0.664 | S | S | . | * | trans | -63.4 | 147.4 | 168.9 | -77 | -145.5 | -167.6 | 0 | 0 | 112.3 | K300 D319 A347 | K300-M349 PolarHBondContact NZ-SD 3.09Å; D319-M349 WeakPolarHBondContact OD1-CE 3.34Å; A347-M349 PolarHBondContact O-N 2.97Å | ||
| 350 | T | 30.6 | Very low | 41.2 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 72% | 0.718 | 68% | 0.679 | S | S | * | * | trans | -123.2 | 142.1 | 153.5 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 351 | S | 33.3 | Very low | 39.8 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | trans | -100.7 | 95.6 | -179.4 | 41.4 | 0 | 0 | 0 | 0 | 110.2 | G353 | S351-G353 PolarHBondContact O-N 3.34Š| ||
| 352 | K | 29.8 | Very low | 38.6 | Very low | 220 Ų | 220 | 133.9 Ų | 133.9 | 96% | 0.957 | 73% | 0.731 | S | S | * | * | trans | -68.1 | 103.1 | -178.7 | -160.1 | 171.8 | -166.5 | 168.6 | 0 | 110.9 | ||||
| 353 | G | 32.2 | Very low | 37.7 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -140.6 | 126.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | S351 | S351-G353 PolarHBondContact O-N 3.34Š| ||
| 354 | K | 28.2 | Very low | 36.7 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 72.2 | 111.9 | 162.9 | -152.5 | 172.4 | -171.9 | 177.7 | 0 | 117.7 | ||||
| 355 | I | 37 | Very low | 36.1 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | -89.4 | 142.2 | 161.1 | -61.5 | 162.9 | 0 | 0 | 0 | 108.3 | ||||
| 356 | P | 32.7 | Very low | 35.3 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -147.1 | 109.6 | 134.4 | 33 | -14.3 | 0 | 0 | 0 | 115.3 | ||||
| 357 | L | 34.4 | Very low | 34.8 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | 60.9 | 159.7 | 141.4 | -72.1 | 162.2 | 0 | 0 | 0 | 120.7 | ||||
| 358 | P | 42.4 | Very low | 34.2 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | trans | -98.5 | 164.8 | -161.3 | 38.7 | -37.5 | 0 | 0 | 0 | 115.2 | ||||
| 359 | P | 36.2 | Very low | 33.8 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -69.3 | 151.5 | 165.5 | 31.4 | -35.4 | 0 | 0 | 0 | 111.8 | ||||
| 360 | R | 34 | Very low | 34 | Very low | 239 Ų | 239 | 152.2 Ų | 152.2 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -126.8 | 143.5 | 170.1 | -177.8 | 175.9 | 178.2 | 173.4 | -0 | 108.9 | ||||
| 361 | N | 35.8 | Very low | 34.3 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 79% | 0.786 | 85% | 0.848 | S | S | * | * | trans | -51.5 | 143 | -168.7 | -46.1 | 12.2 | 0 | 0 | 0 | 114.9 | ||||
| 362 | T | 35.3 | Very low | 34.4 | Very low | 212 Ų | 212 | 158.7 Ų | 158.7 | 100% | 1.301 | 85% | 0.851 | S | S | * | * | -122.6 | 0 | 124.9 | 56 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 362 of 362 residues in 148 ms
(Link to these results)