| 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 | 33.6 | Very low | 53.4 | Low | 247 Ų | 247 | 76.8 Ų | 76.8 | 100% | 1.217 | 40% | 0.402 | S | S | * | . | 0 | 114.6 | 0 | -76.3 | 160.5 | 156.9 | 0 | 0 | 107.7 | |||||
| 2 | A | 39.6 | Very low | 53.4 | Low | 76 Ų | 76 | 83.8 Ų | 83.8 | 63% | 0.628 | 42% | 0.419 | S | S | * | . | trans | -73.8 | 132.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | H6 | A2-H6 HydrophobicContact CB-CB 4.37Š| ||
| 3 | N | 56.4 | Low | 53.7 | Low | 77 Ų | 77 | 85.1 Ų | 85.1 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | trans | -76.4 | 164.8 | 174.4 | 70 | -0.4 | 0 | 0 | 0 | 110.3 | E5 H6 F7 | N3-E5 PolarHBondContact ND2-OE2 3.22Å; N3-E5 PolarHBondContact O-N 3.43Å; N3-E5 VanDerWaalsContact O-N 3.09Å; N3-E5 WeakPolarHBondContact OD1-CB 3.38Å; N3-E5 PolarHBondContact OD1-N 3.34Å; N3-H6 PolarHBondContact O-N 3.45Å; N3-H6 VanDerWaalsContact O-N 3.09Å; N3-H6 WeakPolarHBondContact OD1-CB 3.42Å; N3-H6 PolarHBondContact OD1-N 3.12Å; N3-F7 PolarHBondContact O-N 2.81Å | ||
| 4 | A | 53.6 | Low | 53.8 | Low | 29 Ų | 29 | 94.3 Ų | 94.3 | 24% | 0.24 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -55.3 | -29.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A8 L30 | A4-A8 VanDerWaalsContact O-CB 3.28Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 3.33Å; A4-L30 HydrophobicContact CB-CD1 3.81Å |
| 5 | E | 54.5 | Low | 53.5 | Low | 97 Ų | 97 | 95.5 Ų | 95.5 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 177.6 | -39.5 | 176.9 | 158.4 | 0 | 0 | 111.5 | N3 F7 A8 F9 F50 | N3-E5 PolarHBondContact ND2-OE2 3.22Å; N3-E5 PolarHBondContact O-N 3.43Å; N3-E5 VanDerWaalsContact O-N 3.09Å; N3-E5 WeakPolarHBondContact OD1-CB 3.38Å; N3-E5 PolarHBondContact OD1-N 3.34Å; E5-F7 VanDerWaalsContact C-N 3.35Å; E5-A8 PolarHBondContact O-N 3.24Å; E5-F9 VanDerWaalsContact O-CB 3.31Å; E5-F9 WeakPolarHBondContact O-CB 3.46Å; E5-F9 PolarHBondContact O-N 3.3Å; E5-F50 HydrophobicContact CB-CE2 3.99Å; E5-F50 HydrophobicContact CB-CZ 4.48Å; E5-F50 HydrophobicContact CG-CE2 3.75Å; E5-F50 HydrophobicContact CG-CZ 3.74Å; E5-F50 WeakPolarHBondContact OE1-CZ 3.47Å |
| 6 | H | 59.1 | Low | 53.5 | Low | 101 Ų | 101 | 94.6 Ų | 94.6 | 47% | 0.468 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 179 | -155.3 | 78.3 | 0 | 0 | 0 | 111 | A2 N3 F9 L10 | A2-H6 HydrophobicContact CB-CB 4.37Å; N3-H6 PolarHBondContact O-N 3.45Å; N3-H6 VanDerWaalsContact O-N 3.09Å; N3-H6 WeakPolarHBondContact OD1-CB 3.42Å; N3-H6 PolarHBondContact OD1-N 3.12Å; H6-F9 PolarHBondContact O-N 2.78Å; H6-L10 WeakPolarHBondContact O-CB 3.26Å; H6-L10 VanDerWaalsContact O-CG 3.27Å; H6-L10 WeakPolarHBondContact O-CG 3.34Å; H6-L10 PolarHBondContact O-N 2.82Å |
| 7 | F | 58.8 | Low | 53.5 | Low | 29 Ų | 29 | 96.1 Ų | 96.1 | 13% | 0.127 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.4 | -48 | 173.8 | -168.2 | -100.6 | 0 | 0 | 0 | 111.7 | N3 E5 F9 L10 Y11 F23 A26 V61 | N3-F7 PolarHBondContact O-N 2.81Å; E5-F7 VanDerWaalsContact C-N 3.35Å; F7-F9 VanDerWaalsContact C-N 3.34Å; F7-F9 PolarHBondContact O-N 2.83Å; F7-L10 PolarHBondContact O-N 3.09Å; F7-Y11 HydrophobicContact CD1-CD2 4.12Å; F7-Y11 HydrophobicContact CD2-CD2 4.25Å; F7-Y11 HydrophobicContact CD2-CE2 4.26Å; F7-Y11 AromaticContact CE1-CD2 3.78Å; F7-Y11 HydrophobicContact CE1-CD2 3.78Å; F7-Y11 AromaticContact CE1-CE2 3.88Å; F7-Y11 HydrophobicContact CE1-CE2 3.88Å; F7-Y11 AromaticContact CE2-CD2 3.92Å; F7-Y11 HydrophobicContact CE2-CD2 3.92Å; F7-Y11 AromaticContact CE2-CE2 3.52Å; F7-Y11 HydrophobicContact CE2-CE2 3.52Å; F7-Y11 HydrophobicContact CG-CD2 4.36Å; F7-Y11 AromaticContact CZ-CD2 3.68Å; F7-Y11 HydrophobicContact CZ-CD2 3.68Å; F7-Y11 AromaticContact CZ-CE2 3.31Å; F7-Y11 HydrophobicContact CZ-CE2 3.31Å; F7-Y11 WeakPolarHBondContact O-CB 3.41Å; F7-Y11 PolarHBondContact O-N 2.78Å; F7-F23 HydrophobicContact CZ-CD2 4.12Å; F7-F23 HydrophobicContact CZ-CE2 4.46Å; F7-A26 HydrophobicContact CD1-CB 4.42Å; F7-A26 HydrophobicContact CD2-CB 3.71Å; F7-A26 HydrophobicContact CE1-CB 4.05Å; F7-A26 HydrophobicContact CE2-CB 3.27Å; F7-A26 HydrophobicContact CG-CB 4.26Å; F7-A26 HydrophobicContact CZ-CB 3.45Å; F7-A26 VanDerWaalsContact CZ-CB 3.45Å; F7-V61 HydrophobicContact CE1-CG2 4.27Å |
| 8 | A | 55.5 | Low | 53.6 | Low | 10 Ų | 10 | 92.8 Ų | 92.8 | 8% | 0.083 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A4 E5 R12 A57 | A4-A8 VanDerWaalsContact O-CB 3.28Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 3.33Å; E5-A8 PolarHBondContact O-N 3.24Å; A8-R12 VanDerWaalsContact O-CB 3.3Å; A8-R12 WeakPolarHBondContact O-CB 3.43Å; A8-R12 PolarHBondContact O-N 3.1Å; A8-A57 HydrophobicContact CB-CB 3.73Å |
| 9 | F | 60.9 | Low | 53.9 | Low | 112 Ų | 112 | 90.9 Ų | 90.9 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.1 | -52 | 175.8 | 178.1 | -96.8 | 0 | 0 | 0 | 112 | E5 H6 F7 Y11 R12 H13 | E5-F9 VanDerWaalsContact O-CB 3.31Å; E5-F9 WeakPolarHBondContact O-CB 3.46Å; E5-F9 PolarHBondContact O-N 3.3Å; H6-F9 PolarHBondContact O-N 2.78Å; F7-F9 VanDerWaalsContact C-N 3.34Å; F7-F9 PolarHBondContact O-N 2.83Å; F9-Y11 VanDerWaalsContact C-N 3.29Å; F9-Y11 PolarHBondContact O-N 3.28Å; F9-R12 WeakPolarHBondContact O-CB 3.21Å; F9-R12 PolarHBondContact O-N 3.24Å; F9-H13 AromaticContact CD2-CD2 4Å; F9-H13 AromaticContact CE2-CD2 3.69Å; F9-H13 AromaticContact CE2-NE2 3.64Å; F9-H13 AromaticContact CZ-CD2 3.86Å; F9-H13 PolarHBondContact O-CD2 3.44Å; F9-H13 PolarHBondContact O-N 3.31Å |
| 10 | L | 57.1 | Low | 54.3 | Low | 34 Ų | 34 | 91.6 Ų | 91.6 | 18% | 0.178 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63 | -36.6 | -178.6 | -69.9 | 169.1 | 0 | 0 | 0 | 111.9 | H6 F7 H13 R14 L15 L16 | H6-L10 WeakPolarHBondContact O-CB 3.26Å; H6-L10 VanDerWaalsContact O-CG 3.27Å; H6-L10 WeakPolarHBondContact O-CG 3.34Å; H6-L10 PolarHBondContact O-N 2.82Å; F7-L10 PolarHBondContact O-N 3.09Å; L10-H13 PolarHBondContact O-N 3.36Å; L10-R14 PolarHBondContact O-N 3.5Å; L10-L15 HydrophobicContact CD2-CB 4.12Å; L10-L15 HydrophobicContact CD2-CD1 4.22Å; L10-L15 PolarHBondContact O-N 3.37Å; L10-L16 HydrophobicContact CB-CD1 4.16Å; L10-L16 HydrophobicContact CB-CG 4.32Å; L10-L16 HydrophobicContact CD1-CD1 3.73Å; L10-L16 HydrophobicContact CD1-CG 4.35Å |
| 11 | Y | 58.4 | Low | 54.8 | Low | 33 Ų | 33 | 95 Ų | 95 | 13% | 0.129 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -71.3 | -38.4 | 173.3 | -96.1 | -81.8 | 0 | 0 | 0 | 113.9 | F7 F9 H13 R14 P18 F23 Y60 | F7-Y11 HydrophobicContact CD1-CD2 4.12Å; F7-Y11 HydrophobicContact CD2-CD2 4.25Å; F7-Y11 HydrophobicContact CD2-CE2 4.26Å; F7-Y11 AromaticContact CE1-CD2 3.78Å; F7-Y11 HydrophobicContact CE1-CD2 3.78Å; F7-Y11 AromaticContact CE1-CE2 3.88Å; F7-Y11 HydrophobicContact CE1-CE2 3.88Å; F7-Y11 AromaticContact CE2-CD2 3.92Å; F7-Y11 HydrophobicContact CE2-CD2 3.92Å; F7-Y11 AromaticContact CE2-CE2 3.52Å; F7-Y11 HydrophobicContact CE2-CE2 3.52Å; F7-Y11 HydrophobicContact CG-CD2 4.36Å; F7-Y11 AromaticContact CZ-CD2 3.68Å; F7-Y11 HydrophobicContact CZ-CD2 3.68Å; F7-Y11 AromaticContact CZ-CE2 3.31Å; F7-Y11 HydrophobicContact CZ-CE2 3.31Å; F7-Y11 WeakPolarHBondContact O-CB 3.41Å; F7-Y11 PolarHBondContact O-N 2.78Å; F9-Y11 VanDerWaalsContact C-N 3.29Å; F9-Y11 PolarHBondContact O-N 3.28Å; Y11-H13 PolarHBondContact O-N 3.5Å; Y11-R14 PolarHBondContact O-N 3.29Å; Y11-P18 HydrophobicContact CE2-CG 4.31Å; Y11-P18 WeakPolarHBondContact OH-CD 3.49Å; Y11-P18 WeakPolarHBondContact OH-CG 3.32Å; Y11-F23 HydrophobicContact CE2-CD2 4.37Å; Y11-F23 AromaticContact CZ-CD2 3.85Å; Y11-F23 VanDerWaalsContact OH-CD2 3.25Å; Y11-F23 WeakPolarHBondContact OH-CD2 3.06Å; Y11-Y60 AromaticContact CD1-CD1 3.9Å; Y11-Y60 HydrophobicContact CD1-CD1 3.9Å; Y11-Y60 AromaticContact CD1-CE1 3.42Å; Y11-Y60 HydrophobicContact CD1-CE1 3.42Å; Y11-Y60 VanDerWaalsContact CD1-CE1 3.42Å; Y11-Y60 HydrophobicContact CE1-CD1 4.37Å; Y11-Y60 AromaticContact CE1-CE1 3.59Å; Y11-Y60 HydrophobicContact CE1-CE1 3.59Å |
| 12 | R | 53.3 | Low | 56.3 | Low | 160 Ų | 160 | 89 Ų | 89 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -55.1 | -34.6 | 174.1 | -176.9 | 178.5 | -174.1 | 153.7 | 6.6 | 112 | A8 F9 | A8-R12 VanDerWaalsContact O-CB 3.3Å; A8-R12 WeakPolarHBondContact O-CB 3.43Å; A8-R12 PolarHBondContact O-N 3.1Å; F9-R12 WeakPolarHBondContact O-CB 3.21Å; F9-R12 PolarHBondContact O-N 3.24Å |
| 13 | H | 56.7 | Low | 57.5 | Low | 101 Ų | 101 | 86 Ų | 86 | 47% | 0.468 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 5.7 | 179.1 | -68.1 | -77.2 | 0 | 0 | 0 | 114.5 | F9 L10 Y11 L15 | F9-H13 AromaticContact CD2-CD2 4Å; F9-H13 AromaticContact CE2-CD2 3.69Å; F9-H13 AromaticContact CE2-NE2 3.64Å; F9-H13 AromaticContact CZ-CD2 3.86Å; F9-H13 PolarHBondContact O-CD2 3.44Å; F9-H13 PolarHBondContact O-N 3.31Å; L10-H13 PolarHBondContact O-N 3.36Å; Y11-H13 PolarHBondContact O-N 3.5Å; H13-L15 HydrophobicContact CB-CD1 3.73Å; H13-L15 HydrophobicContact CB-CG 3.7Å; H13-L15 PolarHBondContact O-N 2.78Å |
| 14 | R | 56 | Low | 57.9 | Low | 214 Ų | 214 | 83.9 Ų | 83.9 | 81% | 0.808 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 26.7 | -175.2 | -56.9 | -177.4 | 176.8 | -175.6 | -0.2 | 114.4 | L10 Y11 L16 | L10-R14 PolarHBondContact O-N 3.5Å; Y11-R14 PolarHBondContact O-N 3.29Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 3.42Å |
| 15 | L | 49.7 | Very low | 58.7 | Low | 112 Ų | 112 | 85.7 Ų | 85.7 | 59% | 0.586 | 42% | 0.422 | S | S | * | . | trans | -81.2 | -6.5 | -170.9 | -68 | 174.9 | 0 | 0 | 0 | 114.5 | L10 H13 | L10-L15 HydrophobicContact CD2-CB 4.12Å; L10-L15 HydrophobicContact CD2-CD1 4.22Å; L10-L15 PolarHBondContact O-N 3.37Å; H13-L15 HydrophobicContact CB-CD1 3.73Å; H13-L15 HydrophobicContact CB-CG 3.7Å; H13-L15 PolarHBondContact O-N 2.78Å | ||
| 16 | L | 53.6 | Low | 59.3 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | trans | -129.2 | 134.3 | 174.3 | -70.1 | -179.9 | 0 | 0 | 0 | 111.9 | L10 R14 P18 | L10-L16 HydrophobicContact CB-CD1 4.16Å; L10-L16 HydrophobicContact CB-CG 4.32Å; L10-L16 HydrophobicContact CD1-CD1 3.73Å; L10-L16 HydrophobicContact CD1-CG 4.35Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 3.42Å; L16-P18 VanDerWaalsContact C-CD 3.48Å; L16-P18 WeakPolarHBondContact O-CD 3.49Å | ||
| 17 | S | 52.3 | Low | 59.7 | Low | 121 Ų | 121 | 77.4 Ų | 77.4 | 85% | 0.846 | 39% | 0.388 | S | S | * | . | trans | -112 | 77.1 | 156.3 | 57.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 18 | P | 55.2 | Low | 60.3 | Low | 36 Ų | 36 | 77.8 Ų | 77.8 | 23% | 0.234 | 39% | 0.391 | C | S | . | . | trans | -67.5 | 168.5 | 179.2 | 33.7 | -35.8 | 0 | 0 | 0 | 110.2 | Y11 L16 E22 F23 | Y11-P18 HydrophobicContact CE2-CG 4.31Å; Y11-P18 WeakPolarHBondContact OH-CD 3.49Å; Y11-P18 WeakPolarHBondContact OH-CG 3.32Å; L16-P18 VanDerWaalsContact C-CD 3.48Å; L16-P18 WeakPolarHBondContact O-CD 3.49Å; P18-E22 HydrophobicContact CB-CB 4.01Å; P18-F23 HydrophobicContact CG-CB 4.19Å | ||
| 19 | S | 60.6 | Low | 61.1 | Low | 58 Ų | 58 | 81.4 Ų | 81.4 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | trans | -61.1 | 158 | 169.9 | 67.3 | 0 | 0 | 0 | 0 | 111 | E21 E22 F23 | S19-E21 PolarHBondContact O-N 3.48Å; S19-E22 VanDerWaalsContact CB-OE2 3.27Å; S19-E22 WeakPolarHBondContact CB-OE2 3.47Å; S19-E22 PolarHBondContact N-OE2 3Å; S19-E22 PolarHBondContact O-N 3.22Å; S19-E22 WeakPolarHBondContact OG-CB 3.33Å; S19-E22 VanDerWaalsContact OG-CD 3.25Å; S19-E22 VanDerWaalsContact OG-CG 3.22Å; S19-E22 WeakPolarHBondContact OG-CG 3.37Å; S19-E22 PolarHBondContact OG-N 3.17Å; S19-E22 PolarHBondContact OG-OE2 2.91Å; S19-F23 PolarHBondContact O-N 3.28Å | ||
| 20 | L | 61.6 | Low | 61.7 | Low | 103 Ų | 103 | 76.5 Ų | 76.5 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -39.6 | 179.2 | -175.1 | 61.9 | 0 | 0 | 0 | 111.1 | F23 N24 I71 | L20-F23 PolarHBondContact O-N 3.23Å; L20-N24 WeakPolarHBondContact O-CB 3.38Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-N24 PolarHBondContact O-ND2 2.91Å; L20-N24 PolarHBondContact O-OD1 2.98Å; L20-I71 HydrophobicContact CD1-CD1 4.35Å |
| 21 | E | 64.7 | Low | 62.5 | Low | 165 Ų | 165 | 74.9 Ų | 74.9 | 77% | 0.771 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 179.9 | -61 | -176.7 | 168.6 | 0 | 0 | 112.6 | S19 N24 S25 | S19-E21 PolarHBondContact O-N 3.48Å; E21-N24 PolarHBondContact O-N 3.46Å; E21-S25 PolarHBondContact O-N 3.33Å |
| 22 | E | 64.6 | Low | 63.2 | Low | 119 Ų | 119 | 76 Ų | 76 | 56% | 0.556 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 173.7 | -72.3 | 166.6 | 126 | 0 | 0 | 111.9 | P18 S19 N24 A26 | P18-E22 HydrophobicContact CB-CB 4.01Å; S19-E22 VanDerWaalsContact CB-OE2 3.27Å; S19-E22 WeakPolarHBondContact CB-OE2 3.47Å; S19-E22 PolarHBondContact N-OE2 3Å; S19-E22 PolarHBondContact O-N 3.22Å; S19-E22 WeakPolarHBondContact OG-CB 3.33Å; S19-E22 VanDerWaalsContact OG-CD 3.25Å; S19-E22 VanDerWaalsContact OG-CG 3.22Å; S19-E22 WeakPolarHBondContact OG-CG 3.37Å; S19-E22 PolarHBondContact OG-N 3.17Å; S19-E22 PolarHBondContact OG-OE2 2.91Å; E22-N24 VanDerWaalsContact C-N 3.32Å; E22-N24 PolarHBondContact O-N 3.23Å; E22-A26 WeakPolarHBondContact O-CB 3.48Å; E22-A26 PolarHBondContact O-N 2.9Å; E22-A26 VanDerWaalsContact O-N 3.07Å |
| 23 | F | 64.3 | Low | 64.2 | Low | 14 Ų | 14 | 72 Ų | 72 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 173.6 | 176.3 | -105.5 | 0 | 0 | 0 | 111 | F7 Y11 P18 S19 L20 A26 A27 V61 R64 | F7-F23 HydrophobicContact CZ-CD2 4.12Å; F7-F23 HydrophobicContact CZ-CE2 4.46Å; Y11-F23 HydrophobicContact CE2-CD2 4.37Å; Y11-F23 AromaticContact CZ-CD2 3.85Å; Y11-F23 VanDerWaalsContact OH-CD2 3.25Å; Y11-F23 WeakPolarHBondContact OH-CD2 3.06Å; P18-F23 HydrophobicContact CG-CB 4.19Å; S19-F23 PolarHBondContact O-N 3.28Å; L20-F23 PolarHBondContact O-N 3.23Å; F23-A26 PolarHBondContact O-N 3.49Å; F23-A27 HydrophobicContact CE1-CB 4.38Å; F23-A27 HydrophobicContact CZ-CB 4.25Å; F23-A27 WeakPolarHBondContact O-CB 3.28Å; F23-A27 PolarHBondContact O-N 3.33Å; F23-V61 HydrophobicContact CE2-CG2 4.07Å; F23-V61 HydrophobicContact CZ-CB 4.49Å; F23-V61 HydrophobicContact CZ-CG1 4.39Å; F23-V61 HydrophobicContact CZ-CG2 4.24Å; F23-R64 HydrophobicContact CE1-CB 3.74Å; F23-R64 HydrophobicContact CE2-CB 4.27Å; F23-R64 HydrophobicContact CZ-CB 3.42Å; F23-R64 VanDerWaalsContact CZ-CB 3.42Å; F23-R64 HydrophobicContact CZ-CG 4.32Å |
| 24 | N | 66.3 | Low | 64.9 | Low | 32 Ų | 32 | 67.2 Ų | 67.2 | 17% | 0.171 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.6 | -44.2 | -176.6 | -65.4 | -1.6 | 0 | 0 | 0 | 111.9 | L20 E21 E22 L28 I71 | L20-N24 WeakPolarHBondContact O-CB 3.38Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-N24 PolarHBondContact O-ND2 2.91Å; L20-N24 PolarHBondContact O-OD1 2.98Å; E21-N24 PolarHBondContact O-N 3.46Å; E22-N24 VanDerWaalsContact C-N 3.32Å; E22-N24 PolarHBondContact O-N 3.23Å; N24-L28 WeakPolarHBondContact O-CG 3.47Å; N24-L28 PolarHBondContact O-N 2.9Å; N24-L28 VanDerWaalsContact O-N 3.12Å; N24-I71 VanDerWaalsContact CG-CD1 3.45Å; N24-I71 WeakPolarHBondContact ND2-CD1 3.43Å; N24-I71 WeakPolarHBondContact OD1-CD1 3.46Å |
| 25 | S | 70.5 | Confident | 65.3 | Low | 67 Ų | 67 | 63.9 Ų | 63.9 | 47% | 0.469 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -55 | 174.9 | -167.4 | 0 | 0 | 0 | 0 | 110.6 | E21 A27 L28 D29 | E21-S25 PolarHBondContact O-N 3.33Å; S25-A27 VanDerWaalsContact C-N 3.25Å; S25-A27 PolarHBondContact O-N 3.01Å; S25-L28 PolarHBondContact O-N 3.27Å; S25-L28 VanDerWaalsContact O-N 3.08Å; S25-D29 WeakPolarHBondContact O-CB 3.33Å; S25-D29 VanDerWaalsContact O-CG 3.26Å; S25-D29 PolarHBondContact O-N 2.92Å; S25-D29 VanDerWaalsContact O-OD2 3.13Å; S25-D29 PolarHBondContact OG-OD2 2.79Å |
| 26 | A | 66.8 | Low | 65.8 | Low | 23 Ų | 23 | 61.6 Ų | 61.6 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -28.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F7 E22 F23 L30 | F7-A26 HydrophobicContact CD1-CB 4.42Å; F7-A26 HydrophobicContact CD2-CB 3.71Å; F7-A26 HydrophobicContact CE1-CB 4.05Å; F7-A26 HydrophobicContact CE2-CB 3.27Å; F7-A26 HydrophobicContact CG-CB 4.26Å; F7-A26 HydrophobicContact CZ-CB 3.45Å; F7-A26 VanDerWaalsContact CZ-CB 3.45Å; E22-A26 WeakPolarHBondContact O-CB 3.48Å; E22-A26 PolarHBondContact O-N 2.9Å; E22-A26 VanDerWaalsContact O-N 3.07Å; F23-A26 PolarHBondContact O-N 3.49Å; A26-L30 VanDerWaalsContact O-CB 3.26Å; A26-L30 WeakPolarHBondContact O-CB 3.3Å; A26-L30 PolarHBondContact O-N 3.48Å |
| 27 | A | 67.6 | Low | 66.4 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -50.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F23 S25 D29 L30 L31 V61 | F23-A27 HydrophobicContact CE1-CB 4.38Å; F23-A27 HydrophobicContact CZ-CB 4.25Å; F23-A27 WeakPolarHBondContact O-CB 3.28Å; F23-A27 PolarHBondContact O-N 3.33Å; S25-A27 VanDerWaalsContact C-N 3.25Å; S25-A27 PolarHBondContact O-N 3.01Å; A27-D29 VanDerWaalsContact C-N 3.35Å; A27-L30 PolarHBondContact O-N 3.43Å; A27-L31 WeakPolarHBondContact O-CB 3.44Å; A27-L31 VanDerWaalsContact O-CG 3.28Å; A27-L31 WeakPolarHBondContact O-CG 3.47Å; A27-L31 PolarHBondContact O-N 2.84Å; A27-V61 HydrophobicContact CB-CG1 3.46Å; A27-V61 VanDerWaalsContact CB-CG1 3.46Å |
| 28 | L | 70 | Confident | 66.8 | Low | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 179.6 | -64.8 | 170.7 | 0 | 0 | 0 | 111.7 | N24 S25 L31 S32 V75 H79 | N24-L28 WeakPolarHBondContact O-CG 3.47Å; N24-L28 PolarHBondContact O-N 2.9Å; N24-L28 VanDerWaalsContact O-N 3.12Å; S25-L28 PolarHBondContact O-N 3.27Å; S25-L28 VanDerWaalsContact O-N 3.08Å; L28-L31 PolarHBondContact O-N 2.66Å; L28-S32 VanDerWaalsContact O-CB 3.3Å; L28-S32 WeakPolarHBondContact O-CB 3.39Å; L28-S32 PolarHBondContact O-N 2.91Å; L28-S32 PolarHBondContact O-OG 3.42Å; L28-V75 HydrophobicContact CD2-CG2 4.21Å; L28-H79 WeakPolarHBondContact CD2-NE2 3.21Å |
| 29 | D | 74.2 | Confident | 67 | Low | 87 Ų | 87 | 63.8 Ų | 63.8 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 172.7 | -67.7 | -36.1 | 0 | 0 | 0 | 111.7 | S25 A27 S32 T33 | S25-D29 WeakPolarHBondContact O-CB 3.33Å; S25-D29 VanDerWaalsContact O-CG 3.26Å; S25-D29 PolarHBondContact O-N 2.92Å; S25-D29 VanDerWaalsContact O-OD2 3.13Å; S25-D29 PolarHBondContact OG-OD2 2.79Å; A27-D29 VanDerWaalsContact C-N 3.35Å; D29-S32 WeakPolarHBondContact CA-OG 3.38Å; D29-S32 PolarHBondContact O-OG 3.09Å; D29-S32 VanDerWaalsContact O-OG 3.04Å; D29-T33 VanDerWaalsContact O-CB 3.24Å; D29-T33 WeakPolarHBondContact O-CB 3.4Å; D29-T33 PolarHBondContact O-N 3.24Å; D29-T33 PolarHBondContact O-OG1 3.26Å |
| 30 | L | 73.1 | Confident | 67.1 | Low | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -49.1 | 173.9 | -178.6 | 67.8 | 0 | 0 | 0 | 111.4 | A4 A26 A27 S32 T33 F34 A57 V58 V61 | A4-L30 HydrophobicContact CB-CD1 3.81Å; A26-L30 VanDerWaalsContact O-CB 3.26Å; A26-L30 WeakPolarHBondContact O-CB 3.3Å; A26-L30 PolarHBondContact O-N 3.48Å; A27-L30 PolarHBondContact O-N 3.43Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 2.87Å; L30-T33 PolarHBondContact O-N 3.42Å; L30-F34 WeakPolarHBondContact O-CB 3.25Å; L30-F34 PolarHBondContact O-N 2.86Å; L30-A57 HydrophobicContact CD2-CB 4.23Å; L30-V58 HydrophobicContact CD2-CG2 4.15Å; L30-V58 HydrophobicContact CG-CG2 4.19Å; L30-V61 HydrophobicContact CD2-CG2 3.94Å |
| 31 | L | 73.9 | Confident | 67.1 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.8 | -29.5 | -178.2 | -66.8 | -177.8 | 0 | 0 | 0 | 113.1 | A27 L28 V58 V61 L62 V75 H79 L83 | A27-L31 WeakPolarHBondContact O-CB 3.44Å; A27-L31 VanDerWaalsContact O-CG 3.28Å; A27-L31 WeakPolarHBondContact O-CG 3.47Å; A27-L31 PolarHBondContact O-N 2.84Å; L28-L31 PolarHBondContact O-N 2.66Å; L31-V58 HydrophobicContact CD2-CB 4.47Å; L31-V58 HydrophobicContact CD2-CG1 3.8Å; L31-V58 HydrophobicContact CD2-CG2 4.3Å; L31-V61 HydrophobicContact CD1-CG1 4.43Å; L31-V61 HydrophobicContact CD2-CG1 4.5Å; L31-V61 HydrophobicContact CG-CG1 4.33Å; L31-L62 HydrophobicContact CD1-CD2 4.06Å; L31-L62 HydrophobicContact CD2-CD2 4.31Å; L31-L62 HydrophobicContact CD2-CG 4.38Å; L31-V75 HydrophobicContact CD1-CG1 4.24Å; L31-V75 HydrophobicContact CD1-CG2 4.14Å; L31-H79 HydrophobicContact CD1-CB 4.32Å; L31-L83 HydrophobicContact CD1-CD1 4.49Å; L31-L83 HydrophobicContact CD2-CD1 4.01Å; L31-L83 HydrophobicContact CD2-CD2 4.39Å |
| 32 | S | 73.3 | Confident | 66.9 | Low | 58 Ų | 58 | 62.9 Ų | 62.9 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -78.7 | -42 | 174.2 | 58 | 0 | 0 | 0 | 0 | 112.2 | L28 D29 L30 R35 | L28-S32 VanDerWaalsContact O-CB 3.3Å; L28-S32 WeakPolarHBondContact O-CB 3.39Å; L28-S32 PolarHBondContact O-N 2.91Å; L28-S32 PolarHBondContact O-OG 3.42Å; D29-S32 WeakPolarHBondContact CA-OG 3.38Å; D29-S32 PolarHBondContact O-OG 3.09Å; D29-S32 VanDerWaalsContact O-OG 3.04Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 2.87Å; S32-R35 PolarHBondContact O-N 2.94Å |
| 33 | T | 72.7 | Confident | 66.8 | Low | 74 Ų | 74 | 59.5 Ų | 59.5 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | D29 L30 R35 G36 | D29-T33 VanDerWaalsContact O-CB 3.24Å; D29-T33 WeakPolarHBondContact O-CB 3.4Å; D29-T33 PolarHBondContact O-N 3.24Å; D29-T33 PolarHBondContact O-OG1 3.26Å; L30-T33 PolarHBondContact O-N 3.42Å; T33-R35 VanDerWaalsContact C-N 3.27Å; T33-R35 PolarHBondContact O-N 2.76Å; T33-G36 PolarHBondContact O-N 3.43Å |
| 34 | F | 72 | Confident | 66.7 | Low | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -35.2 | -178.1 | -177.2 | -109.6 | 0 | 0 | 0 | 112.9 | L30 G36 Q54 Y55 V58 L83 Y86 L87 | L30-F34 WeakPolarHBondContact O-CB 3.25Å; L30-F34 PolarHBondContact O-N 2.86Å; F34-G36 VanDerWaalsContact C-N 3.25Å; F34-G36 PolarHBondContact O-N 3.28Å; F34-Q54 HydrophobicContact CD2-CB 4.48Å; F34-Q54 HydrophobicContact CE2-CB 4.32Å; F34-Y55 AromaticContact CE2-CD2 3.45Å; F34-Y55 HydrophobicContact CE2-CD2 3.45Å; F34-Y55 VanDerWaalsContact CE2-CD2 3.45Å; F34-Y55 AromaticContact CE2-CE2 3.53Å; F34-Y55 HydrophobicContact CE2-CE2 3.53Å; F34-Y55 HydrophobicContact CE2-CG 4.09Å; F34-Y55 AromaticContact CZ-CD1 3.93Å; F34-Y55 HydrophobicContact CZ-CD1 3.93Å; F34-Y55 AromaticContact CZ-CD2 3.48Å; F34-Y55 HydrophobicContact CZ-CD2 3.48Å; F34-Y55 VanDerWaalsContact CZ-CD2 3.48Å; F34-Y55 AromaticContact CZ-CE1 3.95Å; F34-Y55 HydrophobicContact CZ-CE1 3.95Å; F34-Y55 AromaticContact CZ-CE2 3.5Å; F34-Y55 HydrophobicContact CZ-CE2 3.5Å; F34-Y55 VanDerWaalsContact CZ-CE2 3.5Å; F34-Y55 AromaticContact CZ-CG 3.72Å; F34-Y55 HydrophobicContact CZ-CG 3.72Å; F34-Y55 AromaticContact CZ-CZ 3.74Å; F34-V58 HydrophobicContact CB-CG2 4.22Å; F34-V58 HydrophobicContact CD1-CG1 4.32Å; F34-V58 HydrophobicContact CD1-CG2 3.84Å; F34-V58 HydrophobicContact CD2-CG2 3.95Å; F34-V58 HydrophobicContact CE1-CB 4.46Å; F34-V58 HydrophobicContact CE1-CG1 4.12Å; F34-V58 HydrophobicContact CE1-CG2 4.07Å; F34-V58 HydrophobicContact CE2-CG2 4.17Å; F34-V58 HydrophobicContact CG-CG2 3.76Å; F34-V58 HydrophobicContact CZ-CG2 4.22Å; F34-L83 HydrophobicContact CD1-CD2 3.9Å; F34-L83 HydrophobicContact CE1-CD2 4.36Å; F34-Y86 AromaticContact CD1-CD1 3.94Å; F34-Y86 HydrophobicContact CD1-CD1 3.94Å; F34-Y86 AromaticContact CD1-CE1 3.79Å; F34-Y86 HydrophobicContact CD1-CE1 3.79Å; F34-Y86 HydrophobicContact CD2-CE1 4.34Å; F34-Y86 AromaticContact CE1-CD1 3.72Å; F34-Y86 HydrophobicContact CE1-CD1 3.72Å; F34-Y86 AromaticContact CE1-CE1 3.55Å; F34-Y86 HydrophobicContact CE1-CE1 3.55Å; F34-Y86 HydrophobicContact CE2-CE1 4.13Å; F34-Y86 HydrophobicContact CG-CE1 4.19Å; F34-Y86 HydrophobicContact CZ-CD1 4.32Å; F34-Y86 AromaticContact CZ-CE1 3.75Å; F34-Y86 HydrophobicContact CZ-CE1 3.75Å; F34-Y86 VanDerWaalsContact O-CE1 3.29Å; F34-Y86 WeakPolarHBondContact O-CE1 3.37Å; F34-L87 HydrophobicContact CE1-CD2 4.09Å; F34-L87 HydrophobicContact CZ-CD2 4.32Å |
| 35 | R | 63.6 | Low | 66.6 | Low | 144 Ų | 144 | 61 Ų | 61 | 54% | 0.543 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -25.6 | 174.8 | 178.4 | -173.4 | 171.7 | 176.2 | 2 | 113.3 | S32 T33 P82 | S32-R35 PolarHBondContact O-N 2.94Å; T33-R35 VanDerWaalsContact C-N 3.27Å; T33-R35 PolarHBondContact O-N 2.76Å; R35-P82 HydrophobicContact CG-CB 4.48Å |
| 36 | G | 60.6 | Low | 66.4 | Low | 64 Ų | 64 | 67.5 Ų | 67.5 | 66% | 0.66 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -85.8 | -15.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T33 F34 | T33-G36 PolarHBondContact O-N 3.43Å; F34-G36 VanDerWaalsContact C-N 3.25Å; F34-G36 PolarHBondContact O-N 3.28Å |
| 37 | Q | 65.8 | Low | 66.9 | Low | 56 Ų | 56 | 70.4 Ų | 70.4 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | trans | -73.1 | 135.5 | -177.1 | -67.2 | 173.3 | -4.6 | 0 | 0 | 111.4 | Y86 | Q37-Y86 VanDerWaalsContact O-CE2 3.28Å; Q37-Y86 WeakPolarHBondContact O-CE2 3.35Å | ||
| 38 | K | 61.1 | Low | 67.4 | Low | 193 Ų | 193 | 73.5 Ų | 73.5 | 84% | 0.839 | 39% | 0.394 | S | S | * | . | trans | -104.4 | 127.4 | 159.2 | -72.4 | -173.8 | 178 | -177.6 | 0 | 107.9 | ||||
| 39 | C | 60 | Low | 67.9 | Low | 36 Ų | 36 | 81.6 Ų | 81.6 | 24% | 0.243 | 42% | 0.422 | C | S | . | . | trans | -107.4 | 93.3 | -179.3 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | V44 | C39-V44 HydrophobicContact CB-CG2 3.58Š| ||
| 40 | D | 61.8 | Low | 68.1 | Low | 123 Ų | 123 | 81.3 Ų | 81.3 | 66% | 0.658 | 42% | 0.417 | S | S | * | . | trans | -68.6 | 147 | 171.9 | -62 | -39.2 | 0 | 0 | 0 | 110.4 | E42 A43 V44 | D40-E42 VanDerWaalsContact C-N 3.31Å; D40-E42 PolarHBondContact O-N 3.24Å; D40-E42 VanDerWaalsContact O-N 3.15Å; D40-A43 WeakPolarHBondContact O-CB 3.41Å; D40-A43 PolarHBondContact O-N 3.18Å; D40-V44 PolarHBondContact O-N 3.42Å | ||
| 41 | G | 61.9 | Low | 68.5 | Low | 35 Ų | 35 | 81.5 Ų | 81.5 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.6 | -35.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V44 S45 | G41-V44 PolarHBondContact O-N 3.34Å; G41-S45 PolarHBondContact O-N 3Å |
| 42 | E | 60.2 | Low | 68.9 | Low | 149 Ų | 149 | 83.9 Ų | 83.9 | 70% | 0.696 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.5 | -37 | 176.6 | -64.5 | -165.1 | 173.5 | 0 | 0 | 113 | D40 S45 R46 | D40-E42 VanDerWaalsContact C-N 3.31Å; D40-E42 PolarHBondContact O-N 3.24Å; D40-E42 VanDerWaalsContact O-N 3.15Å; E42-S45 PolarHBondContact O-N 2.75Å; E42-R46 PolarHBondContact O-N 3.4Å |
| 43 | A | 62.5 | Low | 69.3 | Low | 47 Ų | 47 | 82.1 Ų | 82.1 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D40 S45 R46 D47 | D40-A43 WeakPolarHBondContact O-CB 3.41Å; D40-A43 PolarHBondContact O-N 3.18Å; A43-S45 PolarHBondContact O-N 3.19Å; A43-R46 PolarHBondContact O-N 2.76Å; A43-D47 PolarHBondContact O-N 3.18Å |
| 44 | V | 63.5 | Low | 69.7 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.7 | -37.5 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | C39 D40 G41 F48 L51 H91 M93 L94 | C39-V44 HydrophobicContact CB-CG2 3.58Å; D40-V44 PolarHBondContact O-N 3.42Å; G41-V44 PolarHBondContact O-N 3.34Å; V44-F48 WeakPolarHBondContact O-CA 3.46Å; V44-F48 WeakPolarHBondContact O-CB 3.32Å; V44-F48 PolarHBondContact O-N 3.08Å; V44-F48 VanDerWaalsContact O-N 3.1Å; V44-L51 HydrophobicContact CB-CD1 4.4Å; V44-L51 HydrophobicContact CG1-CD1 4.39Å; V44-L51 HydrophobicContact CG2-CD1 4.23Å; V44-H91 HydrophobicContact CG2-CB 4.02Å; V44-M93 HydrophobicContact CG1-CB 4.01Å; V44-M93 HydrophobicContact CG1-SD 3.98Å; V44-L94 HydrophobicContact CG1-CD1 4.11Å; V44-L94 HydrophobicContact CG1-CD2 4.43Å; V44-L94 HydrophobicContact CG1-CG 3.98Å; V44-L94 HydrophobicContact CG2-CD1 4.34Å |
| 45 | S | 63.4 | Low | 70.5 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.8 | -36.2 | 179.8 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | G41 E42 A43 | G41-S45 PolarHBondContact O-N 3Å; E42-S45 PolarHBondContact O-N 2.75Å; A43-S45 PolarHBondContact O-N 3.19Å |
| 46 | R | 65.8 | Low | 71.4 | Confident | 202 Ų | 202 | 75.3 Ų | 75.3 | 76% | 0.762 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -78 | -46.3 | 178.9 | -63.4 | -178.1 | -171.6 | 174.8 | 7.7 | 112 | E42 A43 | E42-R46 PolarHBondContact O-N 3.4Å; A43-R46 PolarHBondContact O-N 2.76Å |
| 47 | D | 77.8 | Confident | 72.4 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -100.7 | 17.3 | -170.5 | -60.9 | -42.1 | 0 | 0 | 0 | 113.7 | A43 R49 F50 L51 | A43-D47 PolarHBondContact O-N 3.18Å; D47-R49 VanDerWaalsContact C-N 3.34Å; D47-R49 PolarHBondContact O-N 3.44Å; D47-F50 HydrophobicContact CB-CB 4.49Å; D47-F50 HydrophobicContact CB-CD1 4.29Å; D47-F50 WeakPolarHBondContact O-CA 3.13Å; D47-F50 WeakPolarHBondContact O-CB 3.49Å; D47-F50 PolarHBondContact O-N 2.82Å; D47-L51 HydrophobicContact CB-CD1 4.47Å; D47-L51 HydrophobicContact CB-CG 4.49Å; D47-L51 PolarHBondContact O-N 3.02Å |
| 48 | F | 78.7 | Confident | 73.4 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -48.6 | -49.1 | -173.9 | -178.5 | -95.7 | 0 | 0 | 0 | 113.9 | V44 F50 L51 E52 M93 L94 | V44-F48 WeakPolarHBondContact O-CA 3.46Å; V44-F48 WeakPolarHBondContact O-CB 3.32Å; V44-F48 PolarHBondContact O-N 3.08Å; V44-F48 VanDerWaalsContact O-N 3.1Å; F48-F50 PolarHBondContact O-N 3.04Å; F48-L51 PolarHBondContact O-N 3.21Å; F48-E52 HydrophobicContact CE1-CB 4.43Å; F48-E52 WeakPolarHBondContact O-CB 3.47Å; F48-E52 PolarHBondContact O-N 3.32Å; F48-M93 HydrophobicContact CD2-CB 4.32Å; F48-M93 HydrophobicContact CE2-CB 4.18Å; F48-M93 WeakPolarHBondContact CE2-O 3.08Å; F48-L94 HydrophobicContact CD2-CD2 4.04Å; F48-L94 HydrophobicContact CE2-CD2 3.89Å |
| 49 | R | 80.3 | Confident | 74.6 | Confident | 208 Ų | 208 | 61.3 Ų | 61.3 | 79% | 0.785 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.7 | -26.5 | -179.1 | -69.3 | -176.6 | 177.1 | -178.8 | 0.7 | 113.4 | D47 A53 | D47-R49 VanDerWaalsContact C-N 3.34Å; D47-R49 PolarHBondContact O-N 3.44Å; R49-A53 WeakPolarHBondContact O-CB 3.28Å; R49-A53 PolarHBondContact O-N 3Å |
| 50 | F | 78.9 | Confident | 75.7 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -81.4 | -43 | 177.4 | 167.8 | -105.5 | 0 | 0 | 0 | 110.5 | E5 D47 F48 A53 Q54 | E5-F50 HydrophobicContact CB-CE2 3.99Å; E5-F50 HydrophobicContact CB-CZ 4.48Å; E5-F50 HydrophobicContact CG-CE2 3.75Å; E5-F50 HydrophobicContact CG-CZ 3.74Å; E5-F50 WeakPolarHBondContact OE1-CZ 3.47Å; D47-F50 HydrophobicContact CB-CB 4.49Å; D47-F50 HydrophobicContact CB-CD1 4.29Å; D47-F50 WeakPolarHBondContact O-CA 3.13Å; D47-F50 WeakPolarHBondContact O-CB 3.49Å; D47-F50 PolarHBondContact O-N 2.82Å; F48-F50 PolarHBondContact O-N 3.04Å; F50-A53 WeakPolarHBondContact O-CB 3.48Å; F50-A53 PolarHBondContact O-N 3.48Å; F50-Q54 WeakPolarHBondContact O-CG 3.13Å; F50-Q54 PolarHBondContact O-N 3.23Å |
| 51 | L | 81.2 | Confident | 76.8 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 172.1 | -65.1 | 168.8 | 0 | 0 | 0 | 111.2 | V44 D47 F48 A53 Q54 Y55 L94 | V44-L51 HydrophobicContact CB-CD1 4.4Å; V44-L51 HydrophobicContact CG1-CD1 4.39Å; V44-L51 HydrophobicContact CG2-CD1 4.23Å; D47-L51 HydrophobicContact CB-CD1 4.47Å; D47-L51 HydrophobicContact CB-CG 4.49Å; D47-L51 PolarHBondContact O-N 3.02Å; F48-L51 PolarHBondContact O-N 3.21Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 2.84Å; L51-Q54 PolarHBondContact O-N 2.94Å; L51-Q54 VanDerWaalsContact O-N 3.07Å; L51-Y55 WeakPolarHBondContact O-CD2 3.29Å; L51-Y55 PolarHBondContact O-N 3.37Å; L51-L94 HydrophobicContact CB-CD1 4.47Å; L51-L94 HydrophobicContact CB-CD2 3.88Å; L51-L94 HydrophobicContact CD1-CD1 4.24Å |
| 52 | E | 82.4 | Confident | 78 | Confident | 50 Ų | 50 | 56 Ų | 56 | 23% | 0.234 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.9 | -39.3 | 173.3 | -179.8 | 175.1 | -139.7 | 0 | 0 | 112.1 | F48 S56 P97 | F48-E52 HydrophobicContact CE1-CB 4.43Å; F48-E52 WeakPolarHBondContact O-CB 3.47Å; F48-E52 PolarHBondContact O-N 3.32Å; E52-S56 WeakPolarHBondContact O-CB 3.36Å; E52-S56 PolarHBondContact O-N 2.83Å; E52-S56 PolarHBondContact O-OG 3.26Å; E52-P97 HydrophobicContact CB-CG 4.45Å; E52-P97 HydrophobicContact CG-CG 4.11Å |
| 53 | A | 80.1 | Confident | 79.3 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R49 F50 L51 S56 A57 | R49-A53 WeakPolarHBondContact O-CB 3.28Å; R49-A53 PolarHBondContact O-N 3Å; F50-A53 WeakPolarHBondContact O-CB 3.48Å; F50-A53 PolarHBondContact O-N 3.48Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 2.84Å; A53-S56 PolarHBondContact O-N 2.94Å; A53-A57 WeakPolarHBondContact O-CB 3.33Å; A53-A57 PolarHBondContact O-N 3.17Å |
| 54 | Q | 82.2 | Confident | 80.2 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 174.3 | -71.3 | -174.8 | 6.2 | 0 | 0 | 112 | F34 F50 L51 S56 A57 V58 | F34-Q54 HydrophobicContact CD2-CB 4.48Å; F34-Q54 HydrophobicContact CE2-CB 4.32Å; F50-Q54 WeakPolarHBondContact O-CG 3.13Å; F50-Q54 PolarHBondContact O-N 3.23Å; L51-Q54 PolarHBondContact O-N 2.94Å; L51-Q54 VanDerWaalsContact O-N 3.07Å; Q54-S56 VanDerWaalsContact C-N 3.28Å; Q54-S56 PolarHBondContact O-N 3.04Å; Q54-A57 PolarHBondContact O-N 3.4Å; Q54-V58 WeakPolarHBondContact O-CG2 3.43Å; Q54-V58 PolarHBondContact O-N 3.17Å |
| 55 | Y | 87.7 | Confident | 81.2 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -41 | 175.2 | -81.2 | -118 | 0 | 0 | 0 | 110.7 | F34 L51 V58 A59 L87 S90 L94 P97 C101 | F34-Y55 AromaticContact CE2-CD2 3.45Å; F34-Y55 HydrophobicContact CE2-CD2 3.45Å; F34-Y55 VanDerWaalsContact CE2-CD2 3.45Å; F34-Y55 AromaticContact CE2-CE2 3.53Å; F34-Y55 HydrophobicContact CE2-CE2 3.53Å; F34-Y55 HydrophobicContact CE2-CG 4.09Å; F34-Y55 AromaticContact CZ-CD1 3.93Å; F34-Y55 HydrophobicContact CZ-CD1 3.93Å; F34-Y55 AromaticContact CZ-CD2 3.48Å; F34-Y55 HydrophobicContact CZ-CD2 3.48Å; F34-Y55 VanDerWaalsContact CZ-CD2 3.48Å; F34-Y55 AromaticContact CZ-CE1 3.95Å; F34-Y55 HydrophobicContact CZ-CE1 3.95Å; F34-Y55 AromaticContact CZ-CE2 3.5Å; F34-Y55 HydrophobicContact CZ-CE2 3.5Å; F34-Y55 VanDerWaalsContact CZ-CE2 3.5Å; F34-Y55 AromaticContact CZ-CG 3.72Å; F34-Y55 HydrophobicContact CZ-CG 3.72Å; F34-Y55 AromaticContact CZ-CZ 3.74Å; L51-Y55 WeakPolarHBondContact O-CD2 3.29Å; L51-Y55 PolarHBondContact O-N 3.37Å; Y55-V58 PolarHBondContact O-N 3.31Å; Y55-A59 PolarHBondContact O-N 3.15Å; Y55-L87 HydrophobicContact CD1-CD2 3.88Å; Y55-L87 HydrophobicContact CE1-CD2 3.5Å; Y55-L87 VanDerWaalsContact CE1-CD2 3.5Å; Y55-S90 WeakPolarHBondContact OH-CB 3.49Å; Y55-S90 PolarHBondContact OH-OG 3.34Å; Y55-L94 HydrophobicContact CE2-CD1 4.11Å; Y55-P97 HydrophobicContact CD1-CB 3.8Å; Y55-P97 HydrophobicContact CG-CB 3.87Å; Y55-C101 PolarHBondContact O-SG 3.44Å |
| 56 | S | 84.1 | Confident | 82.3 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 43% | 0.427 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.7 | -58 | 0 | 0 | 0 | 0 | 112.8 | E52 A53 Q54 A59 Y60 | E52-S56 WeakPolarHBondContact O-CB 3.36Å; E52-S56 PolarHBondContact O-N 2.83Å; E52-S56 PolarHBondContact O-OG 3.26Å; A53-S56 PolarHBondContact O-N 2.94Å; Q54-S56 VanDerWaalsContact C-N 3.28Å; Q54-S56 PolarHBondContact O-N 3.04Å; S56-A59 PolarHBondContact O-N 3.49Å; S56-Y60 PolarHBondContact O-N 3.22Å |
| 57 | A | 80.4 | Confident | 83.1 | Confident | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A8 L30 A53 Q54 Y60 V61 | A8-A57 HydrophobicContact CB-CB 3.73Å; L30-A57 HydrophobicContact CD2-CB 4.23Å; A53-A57 WeakPolarHBondContact O-CB 3.33Å; A53-A57 PolarHBondContact O-N 3.17Å; Q54-A57 PolarHBondContact O-N 3.4Å; A57-Y60 PolarHBondContact O-N 3.43Å; A57-V61 WeakPolarHBondContact O-CB 3.24Å; A57-V61 WeakPolarHBondContact O-CG2 3.24Å; A57-V61 PolarHBondContact O-N 3.37Å |
| 58 | V | 86.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -47 | 173.1 | 165.3 | 0 | 0 | 0 | 0 | 111 | L30 L31 F34 Q54 Y55 Y60 V61 L62 | L30-V58 HydrophobicContact CD2-CG2 4.15Å; L30-V58 HydrophobicContact CG-CG2 4.19Å; L31-V58 HydrophobicContact CD2-CB 4.47Å; L31-V58 HydrophobicContact CD2-CG1 3.8Å; L31-V58 HydrophobicContact CD2-CG2 4.3Å; F34-V58 HydrophobicContact CB-CG2 4.22Å; F34-V58 HydrophobicContact CD1-CG1 4.32Å; F34-V58 HydrophobicContact CD1-CG2 3.84Å; F34-V58 HydrophobicContact CD2-CG2 3.95Å; F34-V58 HydrophobicContact CE1-CB 4.46Å; F34-V58 HydrophobicContact CE1-CG1 4.12Å; F34-V58 HydrophobicContact CE1-CG2 4.07Å; F34-V58 HydrophobicContact CE2-CG2 4.17Å; F34-V58 HydrophobicContact CG-CG2 3.76Å; F34-V58 HydrophobicContact CZ-CG2 4.22Å; Q54-V58 WeakPolarHBondContact O-CG2 3.43Å; Q54-V58 PolarHBondContact O-N 3.17Å; Y55-V58 PolarHBondContact O-N 3.31Å; V58-Y60 PolarHBondContact O-N 2.94Å; V58-V61 PolarHBondContact O-N 3.28Å; V58-L62 HydrophobicContact CG1-CD1 3.95Å; V58-L62 HydrophobicContact CG1-CG 4.5Å; V58-L62 WeakPolarHBondContact O-CB 3.15Å; V58-L62 VanDerWaalsContact O-CG 3.25Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 3.34Å |
| 59 | A | 87.1 | Confident | 83.6 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y55 S56 L62 I63 V104 | Y55-A59 PolarHBondContact O-N 3.15Å; S56-A59 PolarHBondContact O-N 3.49Å; A59-L62 PolarHBondContact O-N 3.15Å; A59-I63 WeakPolarHBondContact O-CG1 3.46Å; A59-I63 PolarHBondContact O-N 3.13Å; A59-V104 HydrophobicContact CB-CG2 4.43Å |
| 60 | Y | 83.7 | Confident | 83.7 | Confident | 81 Ų | 81 | 37.6 Ų | 37.6 | 32% | 0.318 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 175.9 | -176.7 | -89.2 | 0 | 0 | 0 | 112.5 | Y11 S56 A57 V58 L62 I63 R64 | Y11-Y60 AromaticContact CD1-CD1 3.9Å; Y11-Y60 HydrophobicContact CD1-CD1 3.9Å; Y11-Y60 AromaticContact CD1-CE1 3.42Å; Y11-Y60 HydrophobicContact CD1-CE1 3.42Å; Y11-Y60 VanDerWaalsContact CD1-CE1 3.42Å; Y11-Y60 HydrophobicContact CE1-CD1 4.37Å; Y11-Y60 AromaticContact CE1-CE1 3.59Å; Y11-Y60 HydrophobicContact CE1-CE1 3.59Å; S56-Y60 PolarHBondContact O-N 3.22Å; A57-Y60 PolarHBondContact O-N 3.43Å; V58-Y60 PolarHBondContact O-N 2.94Å; Y60-L62 PolarHBondContact O-N 3.23Å; Y60-I63 PolarHBondContact O-N 3.28Å; Y60-R64 HydrophobicContact CD1-CG 4.08Å; Y60-R64 HydrophobicContact CE1-CG 3.48Å; Y60-R64 VanDerWaalsContact CE1-CG 3.48Å; Y60-R64 HydrophobicContact CE2-CG 4.47Å; Y60-R64 PolarHBondContact O-N 3.47Å; Y60-R64 PolarHBondContact OH-NE 2.94Å |
| 61 | V | 83.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.4 | 161 | 0 | 0 | 0 | 0 | 111.1 | F7 F23 A27 L30 L31 A57 V58 I63 R64 A65 | F7-V61 HydrophobicContact CE1-CG2 4.27Å; F23-V61 HydrophobicContact CE2-CG2 4.07Å; F23-V61 HydrophobicContact CZ-CB 4.49Å; F23-V61 HydrophobicContact CZ-CG1 4.39Å; F23-V61 HydrophobicContact CZ-CG2 4.24Å; A27-V61 HydrophobicContact CB-CG1 3.46Å; A27-V61 VanDerWaalsContact CB-CG1 3.46Å; L30-V61 HydrophobicContact CD2-CG2 3.94Å; L31-V61 HydrophobicContact CD1-CG1 4.43Å; L31-V61 HydrophobicContact CD2-CG1 4.5Å; L31-V61 HydrophobicContact CG-CG1 4.33Å; A57-V61 WeakPolarHBondContact O-CB 3.24Å; A57-V61 WeakPolarHBondContact O-CG2 3.24Å; A57-V61 PolarHBondContact O-N 3.37Å; V58-V61 PolarHBondContact O-N 3.28Å; V61-I63 PolarHBondContact O-N 3.44Å; V61-R64 PolarHBondContact O-N 3.24Å; V61-A65 WeakPolarHBondContact O-CB 3.49Å; V61-A65 PolarHBondContact O-N 3.04Å |
| 62 | L | 87.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 177.4 | -71.4 | 168 | 0 | 0 | 0 | 112.7 | L31 V58 A59 Y60 A66 V75 L83 V104 L105 Y109 | L31-L62 HydrophobicContact CD1-CD2 4.06Å; L31-L62 HydrophobicContact CD2-CD2 4.31Å; L31-L62 HydrophobicContact CD2-CG 4.38Å; V58-L62 HydrophobicContact CG1-CD1 3.95Å; V58-L62 HydrophobicContact CG1-CG 4.5Å; V58-L62 WeakPolarHBondContact O-CB 3.15Å; V58-L62 VanDerWaalsContact O-CG 3.25Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 3.34Å; A59-L62 PolarHBondContact O-N 3.15Å; Y60-L62 PolarHBondContact O-N 3.23Å; L62-A66 PolarHBondContact O-N 3.19Å; L62-V75 HydrophobicContact CD2-CG1 3.59Å; L62-L83 HydrophobicContact CD2-CD1 4.18Å; L62-V104 HydrophobicContact CB-CG1 3.7Å; L62-V104 HydrophobicContact CD1-CG1 4.45Å; L62-L105 HydrophobicContact CD1-CD1 4.47Å; L62-L105 HydrophobicContact CD1-CD2 3.71Å; L62-L105 HydrophobicContact CD1-CG 3.84Å; L62-L105 HydrophobicContact CD2-CD2 3.8Å; L62-L105 HydrophobicContact CG-CD2 4.35Å; L62-Y109 HydrophobicContact CB-CE2 4.24Å; L62-Y109 HydrophobicContact CD2-CE2 4.26Å; L62-Y109 WeakPolarHBondContact O-CE2 3.21Å; L62-Y109 PolarHBondContact O-OH 3.41Å |
| 63 | I | 87.4 | Confident | 84.2 | Confident | 38 Ų | 38 | 43 Ų | 43 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -50.5 | 173.3 | -66.8 | 164.2 | 0 | 0 | 0 | 110 | A59 Y60 V61 A66 V104 Y108 | A59-I63 WeakPolarHBondContact O-CG1 3.46Å; A59-I63 PolarHBondContact O-N 3.13Å; Y60-I63 PolarHBondContact O-N 3.28Å; V61-I63 PolarHBondContact O-N 3.44Å; I63-A66 VanDerWaalsContact O-CB 3.29Å; I63-A66 WeakPolarHBondContact O-CB 3.27Å; I63-A66 PolarHBondContact O-N 2.97Å; I63-A66 VanDerWaalsContact O-N 3.14Å; I63-V104 HydrophobicContact CD1-CG2 4.18Å; I63-V104 HydrophobicContact CG1-CG1 3.78Å; I63-V104 HydrophobicContact CG1-CG2 4.24Å; I63-Y108 HydrophobicContact CB-CE2 4.45Å; I63-Y108 HydrophobicContact CG1-CD2 4.27Å; I63-Y108 HydrophobicContact CG1-CE2 3.73Å; I63-Y108 HydrophobicContact CG2-CE1 4.46Å; I63-Y108 HydrophobicContact CG2-CE2 4.43Å |
| 64 | R | 82.5 | Confident | 84.4 | Confident | 118 Ų | 118 | 45 Ų | 45 | 45% | 0.445 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.5 | -40.9 | -178.4 | -75.7 | -53.5 | -147.8 | 163.5 | 9.4 | 114 | F23 Y60 V61 A66 D67 | F23-R64 HydrophobicContact CE1-CB 3.74Å; F23-R64 HydrophobicContact CE2-CB 4.27Å; F23-R64 HydrophobicContact CZ-CB 3.42Å; F23-R64 VanDerWaalsContact CZ-CB 3.42Å; F23-R64 HydrophobicContact CZ-CG 4.32Å; Y60-R64 HydrophobicContact CD1-CG 4.08Å; Y60-R64 HydrophobicContact CE1-CG 3.48Å; Y60-R64 VanDerWaalsContact CE1-CG 3.48Å; Y60-R64 HydrophobicContact CE2-CG 4.47Å; Y60-R64 PolarHBondContact O-N 3.47Å; Y60-R64 PolarHBondContact OH-NE 2.94Å; V61-R64 PolarHBondContact O-N 3.24Å; R64-A66 PolarHBondContact O-N 3.04Å; R64-A66 VanDerWaalsContact O-N 3.16Å; R64-D67 IonicContact NH1-OD2 3.65Å; R64-D67 PolarHBondContact NH1-OD2 3.12Å; R64-D67 WeakPolarHBondContact O-CB 3.33Å; R64-D67 PolarHBondContact O-N 3.29Å |
| 65 | A | 83.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -16.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V61 I71 R72 V75 Y109 | V61-A65 WeakPolarHBondContact O-CB 3.49Å; V61-A65 PolarHBondContact O-N 3.04Å; A65-I71 HydrophobicContact CB-CB 4.43Å; A65-I71 HydrophobicContact CB-CG2 3.69Å; A65-R72 PolarHBondContact O-N 3.5Å; A65-V75 HydrophobicContact CB-CG2 4.22Å; A65-Y109 WeakPolarHBondContact CB-OH 3.25Å |
| 66 | A | 85.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -79.2 | -22.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L62 I63 R64 D68 R72 Y108 Y109 | L62-A66 PolarHBondContact O-N 3.19Å; I63-A66 VanDerWaalsContact O-CB 3.29Å; I63-A66 WeakPolarHBondContact O-CB 3.27Å; I63-A66 PolarHBondContact O-N 2.97Å; I63-A66 VanDerWaalsContact O-N 3.14Å; R64-A66 PolarHBondContact O-N 3.04Å; R64-A66 VanDerWaalsContact O-N 3.16Å; A66-D68 PolarHBondContact O-N 2.83Å; A66-R72 HydrophobicContact CB-CG 4.37Å; A66-R72 PolarHBondContact O-NE 3.23Å; A66-R72 PolarHBondContact O-NH2 3.47Å; A66-Y108 HydrophobicContact CB-CD1 3.49Å; A66-Y108 VanDerWaalsContact CB-CD1 3.49Å; A66-Y108 HydrophobicContact CB-CE1 4.36Å; A66-Y108 HydrophobicContact CB-CG 3.95Å; A66-Y109 HydrophobicContact CB-CE2 4.34Å; A66-Y109 PolarHBondContact N-OH 3.41Å |
| 67 | D | 83.5 | Confident | 84.5 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.1 | -32.5 | -179.8 | -70 | -30.6 | 0 | 0 | 0 | 111.5 | R64 | R64-D67 IonicContact NH1-OD2 3.65Å; R64-D67 PolarHBondContact NH1-OD2 3.12Å; R64-D67 WeakPolarHBondContact O-CB 3.33Å; R64-D67 PolarHBondContact O-N 3.29Å |
| 68 | D | 82.3 | Confident | 84.7 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -97.7 | 130.5 | 175.9 | -173.1 | -20.9 | 0 | 0 | 0 | 112.4 | A66 A70 I71 R72 | A66-D68 PolarHBondContact O-N 2.83Å; D68-A70 VanDerWaalsContact C-N 3.31Å; D68-A70 PolarHBondContact O-N 3.42Å; D68-A70 WeakPolarHBondContact OD1-CB 3.41Å; D68-A70 PolarHBondContact OD1-N 3.25Å; D68-I71 HydrophobicContact CB-CB 4.34Å; D68-I71 HydrophobicContact CB-CD1 3.53Å; D68-I71 HydrophobicContact CB-CG1 3.74Å; D68-R72 WeakPolarHBondContact O-CB 3.25Å; D68-R72 PolarHBondContact O-N 2.96Å |
| 69 | S | 84.8 | Confident | 84.7 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.6 | -24.6 | 178 | 76.9 | 0 | 0 | 0 | 0 | 115.4 | K73 | S69-K73 WeakPolarHBondContact O-CD 3.34Å; S69-K73 VanDerWaalsContact O-CG 3.32Å; S69-K73 WeakPolarHBondContact O-CG 3.33Å |
| 70 | A | 82.8 | Confident | 84.6 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 49% | 0.488 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -79 | -54.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D68 R72 K73 E74 | D68-A70 VanDerWaalsContact C-N 3.31Å; D68-A70 PolarHBondContact O-N 3.42Å; D68-A70 WeakPolarHBondContact OD1-CB 3.41Å; D68-A70 PolarHBondContact OD1-N 3.25Å; A70-R72 VanDerWaalsContact C-N 3.29Å; A70-R72 PolarHBondContact O-N 2.93Å; A70-K73 PolarHBondContact O-N 3.35Å; A70-E74 PolarHBondContact O-N 3.3Å; A70-E74 VanDerWaalsContact O-N 3.09Å |
| 71 | I | 81.4 | Confident | 84.8 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 176 | -40.1 | 164.8 | 0 | 0 | 0 | 110.2 | L20 N24 A65 D68 K73 E74 V75 | L20-I71 HydrophobicContact CD1-CD1 4.35Å; N24-I71 VanDerWaalsContact CG-CD1 3.45Å; N24-I71 WeakPolarHBondContact ND2-CD1 3.43Å; N24-I71 WeakPolarHBondContact OD1-CD1 3.46Å; A65-I71 HydrophobicContact CB-CB 4.43Å; A65-I71 HydrophobicContact CB-CG2 3.69Å; D68-I71 HydrophobicContact CB-CB 4.34Å; D68-I71 HydrophobicContact CB-CD1 3.53Å; D68-I71 HydrophobicContact CB-CG1 3.74Å; I71-K73 VanDerWaalsContact C-N 3.25Å; I71-K73 PolarHBondContact O-N 3.15Å; I71-E74 PolarHBondContact O-N 3.08Å; I71-V75 HydrophobicContact CG2-CG2 3.92Å; I71-V75 WeakPolarHBondContact O-CB 3.43Å; I71-V75 PolarHBondContact O-N 3.28Å |
| 72 | R | 85.6 | Confident | 85 | Confident | 102 Ų | 102 | 57.4 Ų | 57.4 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.5 | -39.1 | -179.6 | -164.8 | -165 | -57.5 | -169.9 | 2.6 | 112.1 | A65 A66 D68 A70 G76 Y109 | A65-R72 PolarHBondContact O-N 3.5Å; A66-R72 HydrophobicContact CB-CG 4.37Å; A66-R72 PolarHBondContact O-NE 3.23Å; A66-R72 PolarHBondContact O-NH2 3.47Å; D68-R72 WeakPolarHBondContact O-CB 3.25Å; D68-R72 PolarHBondContact O-N 2.96Å; A70-R72 VanDerWaalsContact C-N 3.29Å; A70-R72 PolarHBondContact O-N 2.93Å; R72-G76 PolarHBondContact O-N 3.24Å; R72-Y109 HydrophobicContact CB-CE1 4.29Å; R72-Y109 HydrophobicContact CG-CD1 3.92Å; R72-Y109 HydrophobicContact CG-CE1 3.59Å; R72-Y109 WeakPolarHBondContact O-CE1 3.45Å |
| 73 | K | 85.7 | Confident | 85.1 | Confident | 144 Ų | 144 | 57.5 Ų | 57.5 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.2 | -44.5 | 174.4 | -73.7 | 169.9 | -176.6 | 171.3 | 0 | 111.5 | S69 A70 I71 G76 L77 | S69-K73 WeakPolarHBondContact O-CD 3.34Å; S69-K73 VanDerWaalsContact O-CG 3.32Å; S69-K73 WeakPolarHBondContact O-CG 3.33Å; A70-K73 PolarHBondContact O-N 3.35Å; I71-K73 VanDerWaalsContact C-N 3.25Å; I71-K73 PolarHBondContact O-N 3.15Å; K73-G76 PolarHBondContact O-N 3.39Å; K73-L77 WeakPolarHBondContact O-CB 3.49Å; K73-L77 VanDerWaalsContact O-CG 3.24Å; K73-L77 WeakPolarHBondContact O-CG 3.44Å; K73-L77 PolarHBondContact O-N 2.99Å |
| 74 | E | 84.8 | Confident | 85.2 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -49 | -179.7 | -176.9 | 165.1 | 179.4 | 0 | 0 | 112.5 | A70 I71 G76 L77 R78 | A70-E74 PolarHBondContact O-N 3.3Å; A70-E74 VanDerWaalsContact O-N 3.09Å; I71-E74 PolarHBondContact O-N 3.08Å; E74-G76 VanDerWaalsContact C-N 3.33Å; E74-G76 PolarHBondContact O-N 3.25Å; E74-L77 PolarHBondContact O-N 3.4Å; E74-R78 HydrophobicContact CG-CG 4.29Å; E74-R78 WeakPolarHBondContact O-CB 3.41Å; E74-R78 PolarHBondContact O-N 3.49Å; E74-R78 WeakPolarHBondContact OE1-CD 3.33Å; E74-R78 IonicContact OE1-CZ 2.65Å; E74-R78 IonicContact OE1-NE 3.16Å; E74-R78 IonicContact OE1-NH1 3.48Å; E74-R78 PolarHBondContact OE1-NH1 2.7Å |
| 75 | V | 84.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.1 | 168.7 | 0 | 0 | 0 | 0 | 111 | L28 L31 L62 A65 I71 H79 A80 Y109 | L28-V75 HydrophobicContact CD2-CG2 4.21Å; L31-V75 HydrophobicContact CD1-CG1 4.24Å; L31-V75 HydrophobicContact CD1-CG2 4.14Å; L62-V75 HydrophobicContact CD2-CG1 3.59Å; A65-V75 HydrophobicContact CB-CG2 4.22Å; I71-V75 HydrophobicContact CG2-CG2 3.92Å; I71-V75 WeakPolarHBondContact O-CB 3.43Å; I71-V75 PolarHBondContact O-N 3.28Å; V75-H79 HydrophobicContact CG1-CB 4.43Å; V75-H79 WeakPolarHBondContact O-CA 3.16Å; V75-H79 WeakPolarHBondContact O-CB 3.4Å; V75-H79 PolarHBondContact O-N 3.07Å; V75-A80 PolarHBondContact O-N 3.11Å; V75-Y109 HydrophobicContact CB-CE1 3.76Å; V75-Y109 HydrophobicContact CG1-CD1 4.16Å; V75-Y109 HydrophobicContact CG1-CE1 3.5Å; V75-Y109 VanDerWaalsContact CG1-CE1 3.5Å |
| 76 | G | 85.3 | Confident | 85.7 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R72 K73 E74 A112 | R72-G76 PolarHBondContact O-N 3.24Å; K73-G76 PolarHBondContact O-N 3.39Å; E74-G76 VanDerWaalsContact C-N 3.33Å; E74-G76 PolarHBondContact O-N 3.25Å; G76-A112 WeakPolarHBondContact O-CB 3.19Å |
| 77 | L | 85.5 | Confident | 85.9 | Confident | 152 Ų | 152 | 54.4 Ų | 54.4 | 80% | 0.796 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -79.4 | -38.5 | -177.2 | -70.2 | 169.6 | 0 | 0 | 0 | 113.8 | K73 E74 | K73-L77 WeakPolarHBondContact O-CB 3.49Å; K73-L77 VanDerWaalsContact O-CG 3.24Å; K73-L77 WeakPolarHBondContact O-CG 3.44Å; K73-L77 PolarHBondContact O-N 2.99Å; E74-L77 PolarHBondContact O-N 3.4Å |
| 78 | R | 85.5 | Confident | 86.3 | Confident | 163 Ų | 163 | 50.1 Ų | 50.1 | 62% | 0.615 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -99.2 | -33.5 | -171.7 | -64.7 | -175.1 | 176.6 | -178.6 | -8.6 | 114 | E74 | E74-R78 HydrophobicContact CG-CG 4.29Å; E74-R78 WeakPolarHBondContact O-CB 3.41Å; E74-R78 PolarHBondContact O-N 3.49Å; E74-R78 WeakPolarHBondContact OE1-CD 3.33Å; E74-R78 IonicContact OE1-CZ 2.65Å; E74-R78 IonicContact OE1-NE 3.16Å; E74-R78 IonicContact OE1-NH1 3.48Å; E74-R78 PolarHBondContact OE1-NH1 2.7Å |
| 79 | H | 85.3 | Confident | 86.5 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 11% | 0.106 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -34.8 | -167.2 | -63.5 | -93.2 | 0 | 0 | 0 | 114.5 | L28 L31 V75 V81 P82 L83 | L28-H79 WeakPolarHBondContact CD2-NE2 3.21Å; L31-H79 HydrophobicContact CD1-CB 4.32Å; V75-H79 HydrophobicContact CG1-CB 4.43Å; V75-H79 WeakPolarHBondContact O-CA 3.16Å; V75-H79 WeakPolarHBondContact O-CB 3.4Å; V75-H79 PolarHBondContact O-N 3.07Å; H79-V81 PolarHBondContact O-N 3.2Å; H79-P82 VanDerWaalsContact O-CD 3.31Å; H79-P82 WeakPolarHBondContact O-CD 3.44Å; H79-L83 HydrophobicContact CB-CD1 3.9Å; H79-L83 HydrophobicContact CB-CG 4.44Å; H79-L83 WeakPolarHBondContact O-CB 3.38Å; H79-L83 WeakPolarHBondContact O-CG 3.45Å; H79-L83 PolarHBondContact O-N 3.04Å |
| 80 | A | 86.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.9 | -52.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V75 L83 V84 L105 A112 | V75-A80 PolarHBondContact O-N 3.11Å; A80-L83 PolarHBondContact O-N 3.38Å; A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.45Å; A80-L105 HydrophobicContact CB-CD2 4.42Å; A80-A112 HydrophobicContact CB-CB 3.79Å |
| 81 | V | 86.7 | Confident | 86.4 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -44.4 | 180 | 168.3 | 0 | 0 | 0 | 0 | 112.6 | H79 V84 T85 V116 | H79-V81 PolarHBondContact O-N 3.2Å; V81-V84 PolarHBondContact O-N 2.81Å; V81-T85 WeakPolarHBondContact O-CB 3.49Å; V81-T85 PolarHBondContact O-N 3.48Å; V81-T85 PolarHBondContact O-OG1 2.92Å; V81-V116 HydrophobicContact CG1-CG1 4.06Å; V81-V116 HydrophobicContact CG2-CG1 4.11Å; V81-V116 HydrophobicContact CG2-CG2 4.41Å |
| 82 | P | 88.3 | Confident | 86.5 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 169.5 | -29.5 | 36.1 | 0 | 0 | 0 | 115.2 | R35 H79 T85 Y86 | R35-P82 HydrophobicContact CG-CB 4.48Å; H79-P82 VanDerWaalsContact O-CD 3.31Å; H79-P82 WeakPolarHBondContact O-CD 3.44Å; P82-T85 WeakPolarHBondContact O-CB 3.39Å; P82-T85 PolarHBondContact O-N 3.16Å; P82-Y86 PolarHBondContact O-N 3.14Å |
| 83 | L | 89.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 177.7 | -72.3 | 167.2 | 0 | 0 | 0 | 110.6 | L31 F34 L62 H79 A80 T85 Y86 L87 L105 | L31-L83 HydrophobicContact CD1-CD1 4.49Å; L31-L83 HydrophobicContact CD2-CD1 4.01Å; L31-L83 HydrophobicContact CD2-CD2 4.39Å; F34-L83 HydrophobicContact CD1-CD2 3.9Å; F34-L83 HydrophobicContact CE1-CD2 4.36Å; L62-L83 HydrophobicContact CD2-CD1 4.18Å; H79-L83 HydrophobicContact CB-CD1 3.9Å; H79-L83 HydrophobicContact CB-CG 4.44Å; H79-L83 WeakPolarHBondContact O-CB 3.38Å; H79-L83 WeakPolarHBondContact O-CG 3.45Å; H79-L83 PolarHBondContact O-N 3.04Å; A80-L83 PolarHBondContact O-N 3.38Å; L83-T85 PolarHBondContact O-N 2.92Å; L83-Y86 PolarHBondContact O-N 3.22Å; L83-Y86 VanDerWaalsContact O-N 3.16Å; L83-L87 HydrophobicContact CB-CD1 4.34Å; L83-L87 VanDerWaalsContact O-CB 3.26Å; L83-L87 WeakPolarHBondContact O-CB 3.43Å; L83-L87 WeakPolarHBondContact O-CD1 3.39Å; L83-L87 WeakPolarHBondContact O-CG 3.44Å; L83-L87 PolarHBondContact O-N 3.49Å; L83-L105 HydrophobicContact CB-CD1 3.94Å; L83-L105 HydrophobicContact CD1-CD2 4.37Å |
| 84 | V | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -40.8 | 173.2 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | A80 V81 Y86 T88 L102 L105 V116 I120 | A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.45Å; V81-V84 PolarHBondContact O-N 2.81Å; V84-Y86 PolarHBondContact O-N 2.91Å; V84-T88 HydrophobicContact CG1-CG2 4.25Å; V84-T88 WeakPolarHBondContact O-CB 3.34Å; V84-T88 WeakPolarHBondContact O-CG2 3.18Å; V84-T88 PolarHBondContact O-N 3.3Å; V84-T88 PolarHBondContact O-OG1 3.07Å; V84-L102 HydrophobicContact CB-CD2 4.2Å; V84-L102 HydrophobicContact CG1-CD2 4.23Å; V84-L102 HydrophobicContact CG2-CD2 3.85Å; V84-L105 HydrophobicContact CG2-CD1 4.07Å; V84-V116 HydrophobicContact CB-CG2 4.06Å; V84-V116 HydrophobicContact CG1-CB 4Å; V84-V116 HydrophobicContact CG1-CG2 3.8Å; V84-V116 HydrophobicContact CG2-CG2 3.99Å; V84-I120 HydrophobicContact CG1-CD1 3.9Å; V84-I120 HydrophobicContact CG1-CG1 3.52Å; V84-I120 HydrophobicContact CG2-CD1 3.93Å; V84-I120 HydrophobicContact CG2-CG1 4.42Å |
| 85 | T | 88.6 | Confident | 86.9 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | V81 P82 L83 T88 R119 | V81-T85 WeakPolarHBondContact O-CB 3.49Å; V81-T85 PolarHBondContact O-N 3.48Å; V81-T85 PolarHBondContact O-OG1 2.92Å; P82-T85 WeakPolarHBondContact O-CB 3.39Å; P82-T85 PolarHBondContact O-N 3.16Å; L83-T85 PolarHBondContact O-N 2.92Å; T85-T88 PolarHBondContact O-OG1 3.45Å; T85-R119 PolarHBondContact O-NH2 3.47Å |
| 86 | Y | 87.7 | Confident | 87.3 | Confident | 33 Ų | 33 | 43.7 Ų | 43.7 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.5 | -51.9 | 176.7 | 177 | -122.4 | 0 | 0 | 0 | 112.1 | F34 Q37 P82 L83 V84 T88 A89 S90 | F34-Y86 AromaticContact CD1-CD1 3.94Å; F34-Y86 HydrophobicContact CD1-CD1 3.94Å; F34-Y86 AromaticContact CD1-CE1 3.79Å; F34-Y86 HydrophobicContact CD1-CE1 3.79Å; F34-Y86 HydrophobicContact CD2-CE1 4.34Å; F34-Y86 AromaticContact CE1-CD1 3.72Å; F34-Y86 HydrophobicContact CE1-CD1 3.72Å; F34-Y86 AromaticContact CE1-CE1 3.55Å; F34-Y86 HydrophobicContact CE1-CE1 3.55Å; F34-Y86 HydrophobicContact CE2-CE1 4.13Å; F34-Y86 HydrophobicContact CG-CE1 4.19Å; F34-Y86 HydrophobicContact CZ-CD1 4.32Å; F34-Y86 AromaticContact CZ-CE1 3.75Å; F34-Y86 HydrophobicContact CZ-CE1 3.75Å; F34-Y86 VanDerWaalsContact O-CE1 3.29Å; F34-Y86 WeakPolarHBondContact O-CE1 3.37Å; Q37-Y86 VanDerWaalsContact O-CE2 3.28Å; Q37-Y86 WeakPolarHBondContact O-CE2 3.35Å; P82-Y86 PolarHBondContact O-N 3.14Å; L83-Y86 PolarHBondContact O-N 3.22Å; L83-Y86 VanDerWaalsContact O-N 3.16Å; V84-Y86 PolarHBondContact O-N 2.91Å; Y86-T88 VanDerWaalsContact C-N 3.34Å; Y86-T88 PolarHBondContact O-N 3.18Å; Y86-A89 CarbonylContact O-C 3.41Å; Y86-A89 WeakPolarHBondContact O-CA 3.06Å; Y86-A89 WeakPolarHBondContact O-CB 3.47Å; Y86-A89 PolarHBondContact O-N 3.07Å; Y86-S90 PolarHBondContact O-N 3.3Å; Y86-S90 VanDerWaalsContact O-N 3.12Å |
| 87 | L | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | -176.8 | -69.8 | 169.9 | 0 | 0 | 0 | 112.7 | F34 Y55 L83 A89 S90 S98 C101 L102 L105 | F34-L87 HydrophobicContact CE1-CD2 4.09Å; F34-L87 HydrophobicContact CZ-CD2 4.32Å; Y55-L87 HydrophobicContact CD1-CD2 3.88Å; Y55-L87 HydrophobicContact CE1-CD2 3.5Å; Y55-L87 VanDerWaalsContact CE1-CD2 3.5Å; L83-L87 HydrophobicContact CB-CD1 4.34Å; L83-L87 VanDerWaalsContact O-CB 3.26Å; L83-L87 WeakPolarHBondContact O-CB 3.43Å; L83-L87 WeakPolarHBondContact O-CD1 3.39Å; L83-L87 WeakPolarHBondContact O-CG 3.44Å; L83-L87 PolarHBondContact O-N 3.49Å; L87-A89 PolarHBondContact O-N 3.33Å; L87-S90 WeakPolarHBondContact CA-OG 3.25Å; L87-S90 WeakPolarHBondContact O-CB 3.48Å; L87-S90 PolarHBondContact O-N 3.13Å; L87-S90 PolarHBondContact O-OG 3.42Å; L87-S90 VanDerWaalsContact O-OG 3.09Å; L87-S98 VanDerWaalsContact C-OG 3.24Å; L87-S98 WeakPolarHBondContact CA-OG 3.15Å; L87-S98 WeakPolarHBondContact CB-OG 3.4Å; L87-S98 PolarHBondContact O-OG 3.08Å; L87-C101 HydrophobicContact CD1-CB 3.64Å; L87-C101 HydrophobicContact CD2-CB 3.88Å; L87-C101 HydrophobicContact CG-CB 4.44Å; L87-L102 HydrophobicContact CB-CD1 4.2Å; L87-L102 HydrophobicContact CB-CD2 3.79Å; L87-L102 HydrophobicContact CB-CG 3.91Å; L87-L102 HydrophobicContact CD1-CD2 3.83Å; L87-L102 HydrophobicContact CD1-CG 4.05Å; L87-L102 HydrophobicContact CG-CD2 4.48Å; L87-L105 HydrophobicContact CD1-CD1 3.78Å |
| 88 | T | 90.8 | Very high | 87.9 | Confident | 18 Ų | 18 | 36.1 Ų | 36.1 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.9 | 174.8 | 55.4 | 0 | 0 | 0 | 0 | 114 | V84 T85 Y86 L102 R119 Y123 | V84-T88 HydrophobicContact CG1-CG2 4.25Å; V84-T88 WeakPolarHBondContact O-CB 3.34Å; V84-T88 WeakPolarHBondContact O-CG2 3.18Å; V84-T88 PolarHBondContact O-N 3.3Å; V84-T88 PolarHBondContact O-OG1 3.07Å; T85-T88 PolarHBondContact O-OG1 3.45Å; Y86-T88 VanDerWaalsContact C-N 3.34Å; Y86-T88 PolarHBondContact O-N 3.18Å; T88-L102 HydrophobicContact CG2-CD1 3.95Å; T88-L102 HydrophobicContact CG2-CD2 4.43Å; T88-R119 HydrophobicContact CG2-CG 4.42Å; T88-R119 PolarHBondContact OG1-NE 3.35Å; T88-R119 PolarHBondContact OG1-NH2 3.32Å; T88-Y123 HydrophobicContact CG2-CD1 4.06Å; T88-Y123 HydrophobicContact CG2-CD2 4.3Å; T88-Y123 HydrophobicContact CG2-CG 3.78Å; T88-Y123 WeakPolarHBondContact O-CD2 3.45Å; T88-Y123 WeakPolarHBondContact O-CE2 3.47Å |
| 89 | A | 87.6 | Confident | 88.3 | Confident | 74 Ų | 74 | 28.4 Ų | 28.4 | 61% | 0.612 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 3.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y86 L87 | Y86-A89 CarbonylContact O-C 3.41Å; Y86-A89 WeakPolarHBondContact O-CA 3.06Å; Y86-A89 WeakPolarHBondContact O-CB 3.47Å; Y86-A89 PolarHBondContact O-N 3.07Å; L87-A89 PolarHBondContact O-N 3.33Å |
| 90 | S | 82.6 | Confident | 88.7 | Confident | 16 Ų | 16 | 30.7 Ų | 30.7 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -60 | 145.2 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | Y55 Y86 L87 | Y55-S90 WeakPolarHBondContact OH-CB 3.49Å; Y55-S90 PolarHBondContact OH-OG 3.34Å; Y86-S90 PolarHBondContact O-N 3.3Å; Y86-S90 VanDerWaalsContact O-N 3.12Å; L87-S90 WeakPolarHBondContact CA-OG 3.25Å; L87-S90 WeakPolarHBondContact O-CB 3.48Å; L87-S90 PolarHBondContact O-N 3.13Å; L87-S90 PolarHBondContact O-OG 3.42Å; L87-S90 VanDerWaalsContact O-OG 3.09Å |
| 91 | H | 82 | Confident | 89 | Confident | 66 Ų | 66 | 30.8 Ų | 30.8 | 31% | 0.306 | 18% | 0.179 | S | C | . | . | trans | -54.6 | 145.7 | 173.9 | -170.9 | -111.8 | 0 | 0 | 0 | 111.8 | V44 M93 L94 | V44-H91 HydrophobicContact CG2-CB 4.02Å; H91-M93 VanDerWaalsContact C-N 3.27Å; H91-M93 PolarHBondContact O-N 3.07Å; H91-M93 VanDerWaalsContact O-N 3.13Å; H91-L94 WeakPolarHBondContact O-CA 3.4Å; H91-L94 WeakPolarHBondContact O-CB 3.44Å; H91-L94 PolarHBondContact O-N 3.27Å | ||
| 92 | S | 84.3 | Confident | 89.3 | Confident | 90 Ų | 90 | 27.9 Ų | 27.9 | 63% | 0.629 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -56.8 | -34.1 | -170.4 | 56.9 | 0 | 0 | 0 | 0 | 114.5 | L94 A95 | S92-L94 PolarHBondContact O-N 3.24Å; S92-A95 WeakPolarHBondContact O-CB 3.48Å; S92-A95 PolarHBondContact O-N 3.05Å; S92-A95 VanDerWaalsContact O-N 3.16Å |
| 93 | M | 84.9 | Confident | 89.6 | Confident | 97 Ų | 97 | 27.2 Ų | 27.2 | 48% | 0.478 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -58.3 | -34.6 | 173.4 | -67.7 | 172.7 | 169 | 0 | 0 | 112.6 | V44 F48 H91 A95 | V44-M93 HydrophobicContact CG1-CB 4.01Å; V44-M93 HydrophobicContact CG1-SD 3.98Å; F48-M93 HydrophobicContact CD2-CB 4.32Å; F48-M93 HydrophobicContact CE2-CB 4.18Å; F48-M93 WeakPolarHBondContact CE2-O 3.08Å; H91-M93 VanDerWaalsContact C-N 3.27Å; H91-M93 PolarHBondContact O-N 3.07Å; H91-M93 VanDerWaalsContact O-N 3.13Å; M93-A95 VanDerWaalsContact C-N 3.31Å; M93-A95 PolarHBondContact O-N 3.3Å |
| 94 | L | 87.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -88.1 | 8.4 | -178.9 | -60.6 | 170.6 | 0 | 0 | 0 | 113 | V44 F48 L51 Y55 H91 S92 V96 P97 S98 | V44-L94 HydrophobicContact CG1-CD1 4.11Å; V44-L94 HydrophobicContact CG1-CD2 4.43Å; V44-L94 HydrophobicContact CG1-CG 3.98Å; V44-L94 HydrophobicContact CG2-CD1 4.34Å; F48-L94 HydrophobicContact CD2-CD2 4.04Å; F48-L94 HydrophobicContact CE2-CD2 3.89Å; L51-L94 HydrophobicContact CB-CD1 4.47Å; L51-L94 HydrophobicContact CB-CD2 3.88Å; L51-L94 HydrophobicContact CD1-CD1 4.24Å; Y55-L94 HydrophobicContact CE2-CD1 4.11Å; H91-L94 WeakPolarHBondContact O-CA 3.4Å; H91-L94 WeakPolarHBondContact O-CB 3.44Å; H91-L94 PolarHBondContact O-N 3.27Å; S92-L94 PolarHBondContact O-N 3.24Å; L94-V96 PolarHBondContact O-N 2.98Å; L94-P97 WeakPolarHBondContact O-CD 3.38Å; L94-S98 WeakPolarHBondContact O-CB 3.45Å; L94-S98 PolarHBondContact O-N 3.06Å |
| 95 | A | 91.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S92 M93 S98 M99 V135 | S92-A95 WeakPolarHBondContact O-CB 3.48Å; S92-A95 PolarHBondContact O-N 3.05Å; S92-A95 VanDerWaalsContact O-N 3.16Å; M93-A95 VanDerWaalsContact C-N 3.31Å; M93-A95 PolarHBondContact O-N 3.3Å; A95-S98 PolarHBondContact O-N 2.68Å; A95-M99 HydrophobicContact CB-CE 4.21Å; A95-M99 WeakPolarHBondContact O-CB 3.42Å; A95-M99 WeakPolarHBondContact O-CG 3.21Å; A95-M99 PolarHBondContact O-N 3.26Å; A95-V135 HydrophobicContact CB-CG1 4.37Å; A95-V135 HydrophobicContact CB-CG2 4.29Å |
| 96 | V | 92.8 | Very high | 89.8 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 15% | 0.145 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -52.1 | 178.7 | 161.8 | 0 | 0 | 0 | 0 | 112.4 | L94 S98 M99 R100 D134 V135 Q138 | L94-V96 PolarHBondContact O-N 2.98Å; V96-S98 VanDerWaalsContact C-N 3.29Å; V96-S98 PolarHBondContact O-N 2.91Å; V96-M99 PolarHBondContact O-N 3.3Å; V96-R100 WeakPolarHBondContact O-CG 3.43Å; V96-R100 PolarHBondContact O-N 2.95Å; V96-R100 VanDerWaalsContact O-N 3.16Å; V96-D134 HydrophobicContact CG2-CB 4.24Å; V96-V135 HydrophobicContact CG2-CG2 3.84Å; V96-Q138 HydrophobicContact CG1-CG 4.2Å; V96-Q138 HydrophobicContact CG2-CG 4.14Å |
| 97 | P | 90.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 5% | 0.045 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.9 | -39.1 | 171.4 | -27 | 34.8 | 0 | 0 | 0 | 113.5 | E52 Y55 L94 R100 C101 | E52-P97 HydrophobicContact CB-CG 4.45Å; E52-P97 HydrophobicContact CG-CG 4.11Å; Y55-P97 HydrophobicContact CD1-CB 3.8Å; Y55-P97 HydrophobicContact CG-CB 3.87Å; L94-P97 WeakPolarHBondContact O-CD 3.38Å; P97-R100 PolarHBondContact O-N 3.22Å; P97-C101 PolarHBondContact O-N 3.2Å; P97-C101 VanDerWaalsContact O-N 3.13Å; P97-C101 PolarHBondContact O-SG 3.25Å |
| 98 | S | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -49.6 | 179.1 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | L87 L94 A95 V96 R100 C101 L102 | L87-S98 VanDerWaalsContact C-OG 3.24Å; L87-S98 WeakPolarHBondContact CA-OG 3.15Å; L87-S98 WeakPolarHBondContact CB-OG 3.4Å; L87-S98 PolarHBondContact O-OG 3.08Å; L94-S98 WeakPolarHBondContact O-CB 3.45Å; L94-S98 PolarHBondContact O-N 3.06Å; A95-S98 PolarHBondContact O-N 2.68Å; V96-S98 VanDerWaalsContact C-N 3.29Å; V96-S98 PolarHBondContact O-N 2.91Å; S98-R100 VanDerWaalsContact C-N 3.32Å; S98-R100 PolarHBondContact O-N 3.32Å; S98-C101 WeakPolarHBondContact O-CB 3.26Å; S98-C101 PolarHBondContact O-N 2.91Å; S98-C101 VanDerWaalsContact O-N 3.09Å; S98-L102 WeakPolarHBondContact O-CG 3.35Å; S98-L102 PolarHBondContact O-N 2.82Å |
| 99 | M | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 178.2 | -70.8 | 168.3 | -174.5 | 0 | 0 | 112 | A95 V96 C101 L102 Q103 Y123 N127 V135 Q138 A139 L142 | A95-M99 HydrophobicContact CB-CE 4.21Å; A95-M99 WeakPolarHBondContact O-CB 3.42Å; A95-M99 WeakPolarHBondContact O-CG 3.21Å; A95-M99 PolarHBondContact O-N 3.26Å; V96-M99 PolarHBondContact O-N 3.3Å; M99-C101 VanDerWaalsContact C-N 3.34Å; M99-C101 PolarHBondContact O-N 2.88Å; M99-L102 PolarHBondContact O-N 3.31Å; M99-Q103 WeakPolarHBondContact O-CG 3.07Å; M99-Q103 PolarHBondContact O-N 3.36Å; M99-Y123 HydrophobicContact CE-CD1 4.38Å; M99-Y123 HydrophobicContact CE-CE1 3.77Å; M99-Y123 HydrophobicContact CG-CE1 3.84Å; M99-N127 HydrophobicContact CE-CB 3.56Å; M99-N127 WeakPolarHBondContact CE-ND2 3.17Å; M99-V135 HydrophobicContact CE-CG1 4.22Å; M99-Q138 HydrophobicContact CB-CB 3.82Å; M99-Q138 HydrophobicContact CG-CB 4.44Å; M99-Q138 HydrophobicContact SD-CB 3.76Å; M99-A139 HydrophobicContact CE-CB 3.96Å; M99-A139 HydrophobicContact SD-CB 3.92Å; M99-A139 PolarHBondContact SD-N 3.25Å; M99-A139 VanDerWaalsContact SD-N 3.38Å; M99-L142 HydrophobicContact CB-CD2 4.14Å; M99-L142 HydrophobicContact CG-CD2 3.9Å |
| 100 | R | 93 | Very high | 89.6 | Confident | 72 Ų | 72 | 28.3 Ų | 28.3 | 27% | 0.272 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61 | -40.5 | 173.3 | -72.6 | 174.7 | 175.6 | 164.7 | -1.5 | 112.4 | V96 P97 S98 Q103 V104 | V96-R100 WeakPolarHBondContact O-CG 3.43Å; V96-R100 PolarHBondContact O-N 2.95Å; V96-R100 VanDerWaalsContact O-N 3.16Å; P97-R100 PolarHBondContact O-N 3.22Å; S98-R100 VanDerWaalsContact C-N 3.32Å; S98-R100 PolarHBondContact O-N 3.32Å; R100-Q103 PolarHBondContact O-N 3.24Å; R100-V104 WeakPolarHBondContact O-CG2 3.43Å; R100-V104 PolarHBondContact O-N 2.87Å; R100-V104 VanDerWaalsContact O-N 3.12Å |
| 101 | C | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 173.6 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | Y55 L87 P97 S98 M99 V104 L105 | Y55-C101 PolarHBondContact O-SG 3.44Å; L87-C101 HydrophobicContact CD1-CB 3.64Å; L87-C101 HydrophobicContact CD2-CB 3.88Å; L87-C101 HydrophobicContact CG-CB 4.44Å; P97-C101 PolarHBondContact O-N 3.2Å; P97-C101 VanDerWaalsContact O-N 3.13Å; P97-C101 PolarHBondContact O-SG 3.25Å; S98-C101 WeakPolarHBondContact O-CB 3.26Å; S98-C101 PolarHBondContact O-N 2.91Å; S98-C101 VanDerWaalsContact O-N 3.09Å; M99-C101 VanDerWaalsContact C-N 3.34Å; M99-C101 PolarHBondContact O-N 2.88Å; C101-V104 PolarHBondContact O-N 2.66Å; C101-L105 WeakPolarHBondContact O-CG 3.34Å; C101-L105 PolarHBondContact O-N 3.46Å |
| 102 | L | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 176.7 | -67.8 | 169.8 | 0 | 0 | 0 | 112.6 | V84 L87 T88 S98 M99 L105 Q106 I120 Y123 L142 | V84-L102 HydrophobicContact CB-CD2 4.2Å; V84-L102 HydrophobicContact CG1-CD2 4.23Å; V84-L102 HydrophobicContact CG2-CD2 3.85Å; L87-L102 HydrophobicContact CB-CD1 4.2Å; L87-L102 HydrophobicContact CB-CD2 3.79Å; L87-L102 HydrophobicContact CB-CG 3.91Å; L87-L102 HydrophobicContact CD1-CD2 3.83Å; L87-L102 HydrophobicContact CD1-CG 4.05Å; L87-L102 HydrophobicContact CG-CD2 4.48Å; T88-L102 HydrophobicContact CG2-CD1 3.95Å; T88-L102 HydrophobicContact CG2-CD2 4.43Å; S98-L102 WeakPolarHBondContact O-CG 3.35Å; S98-L102 PolarHBondContact O-N 2.82Å; M99-L102 PolarHBondContact O-N 3.31Å; L102-L105 HydrophobicContact CD2-CD1 4.48Å; L102-L105 PolarHBondContact O-N 3.14Å; L102-Q106 PolarHBondContact O-N 3.25Å; L102-I120 HydrophobicContact CB-CG2 4.49Å; L102-I120 HydrophobicContact CD1-CG2 4.45Å; L102-I120 HydrophobicContact CD2-CG1 4.42Å; L102-Y123 HydrophobicContact CD1-CD1 3.81Å; L102-Y123 HydrophobicContact CD1-CE1 3.86Å; L102-L142 HydrophobicContact CB-CD1 3.64Å; L102-L142 HydrophobicContact CB-CD2 3.88Å; L102-L142 HydrophobicContact CB-CG 4.44Å; L102-L142 HydrophobicContact CD1-CD2 3.83Å |
| 103 | Q | 93.7 | Very high | 89.9 | Confident | 13 Ų | 13 | 26.8 Ų | 26.8 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -47 | 173.8 | -69.5 | 160.3 | 6.5 | 0 | 0 | 110.7 | M99 R100 L105 Q106 Y107 Q138 L142 L145 | M99-Q103 WeakPolarHBondContact O-CG 3.07Å; M99-Q103 PolarHBondContact O-N 3.36Å; R100-Q103 PolarHBondContact O-N 3.24Å; Q103-L105 PolarHBondContact O-N 2.97Å; Q103-Q106 PolarHBondContact O-N 3.37Å; Q103-Y107 WeakPolarHBondContact O-CB 3.35Å; Q103-Y107 PolarHBondContact O-N 3.23Å; Q103-Q138 PolarHBondContact NE2-O 2.96Å; Q103-L142 HydrophobicContact CG-CB 4.12Å; Q103-L142 HydrophobicContact CG-CD1 3.96Å; Q103-L145 HydrophobicContact CB-CD1 3.74Å; Q103-L145 HydrophobicContact CG-CD1 3.85Å |
| 104 | V | 92 | Very high | 89.9 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 175 | 167.3 | 0 | 0 | 0 | 0 | 111.5 | A59 L62 I63 R100 C101 Y107 Y108 I640 | A59-V104 HydrophobicContact CB-CG2 4.43Å; L62-V104 HydrophobicContact CB-CG1 3.7Å; L62-V104 HydrophobicContact CD1-CG1 4.45Å; I63-V104 HydrophobicContact CD1-CG2 4.18Å; I63-V104 HydrophobicContact CG1-CG1 3.78Å; I63-V104 HydrophobicContact CG1-CG2 4.24Å; R100-V104 WeakPolarHBondContact O-CG2 3.43Å; R100-V104 PolarHBondContact O-N 2.87Å; R100-V104 VanDerWaalsContact O-N 3.12Å; C101-V104 PolarHBondContact O-N 2.66Å; V104-Y107 PolarHBondContact O-N 2.89Å; V104-Y108 HydrophobicContact CG1-CD2 4.01Å; V104-Y108 WeakPolarHBondContact O-CD2 3.46Å; V104-Y108 PolarHBondContact O-N 3.15Å; V104-I640 HydrophobicContact CG2-CD1 3.84Å |
| 105 | L | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.1 | -76.8 | 169.8 | 0 | 0 | 0 | 112.2 | L62 A80 L83 V84 L87 C101 L102 Q103 Y109 | L62-L105 HydrophobicContact CD1-CD1 4.47Å; L62-L105 HydrophobicContact CD1-CD2 3.71Å; L62-L105 HydrophobicContact CD1-CG 3.84Å; L62-L105 HydrophobicContact CD2-CD2 3.8Å; L62-L105 HydrophobicContact CG-CD2 4.35Å; A80-L105 HydrophobicContact CB-CD2 4.42Å; L83-L105 HydrophobicContact CB-CD1 3.94Å; L83-L105 HydrophobicContact CD1-CD2 4.37Å; V84-L105 HydrophobicContact CG2-CD1 4.07Å; L87-L105 HydrophobicContact CD1-CD1 3.78Å; C101-L105 WeakPolarHBondContact O-CG 3.34Å; C101-L105 PolarHBondContact O-N 3.46Å; L102-L105 HydrophobicContact CD2-CD1 4.48Å; L102-L105 PolarHBondContact O-N 3.14Å; Q103-L105 PolarHBondContact O-N 2.97Å; L105-Y109 HydrophobicContact CD2-CD2 4.3Å; L105-Y109 CarbonylContact O-C 3.57Å; L105-Y109 VanDerWaalsContact O-CA 3.31Å; L105-Y109 WeakPolarHBondContact O-CA 3.38Å; L105-Y109 VanDerWaalsContact O-CB 3.28Å; L105-Y109 WeakPolarHBondContact O-CB 3.47Å; L105-Y109 PolarHBondContact O-N 2.99Å |
| 106 | Q | 90.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 176.6 | -72.9 | -176.3 | -6.6 | 0 | 0 | 112.4 | L102 Q103 P110 C113 I120 L142 T146 M149 | L102-Q106 PolarHBondContact O-N 3.25Å; Q103-Q106 PolarHBondContact O-N 3.37Å; Q106-P110 WeakPolarHBondContact O-CA 3.27Å; Q106-P110 WeakPolarHBondContact O-CB 3.25Å; Q106-P110 WeakPolarHBondContact O-CD 3.38Å; Q106-C113 HydrophobicContact CG-CB 4.37Å; Q106-I120 HydrophobicContact CG-CD1 4.16Å; Q106-I120 VanDerWaalsContact NE2-CG2 3.25Å; Q106-L142 PolarHBondContact OE1-O 2.98Å; Q106-T146 VanDerWaalsContact NE2-CG2 3.29Å; Q106-M149 HydrophobicContact CB-SD 4.24Å; Q106-M149 HydrophobicContact CG-CE 4.41Å; Q106-M149 HydrophobicContact CG-SD 4.47Å |
| 107 | Y | 88.2 | Confident | 89.2 | Confident | 70 Ų | 70 | 30 Ų | 30 | 28% | 0.275 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67.7 | -43.7 | -175.2 | -167.5 | -98.9 | 0 | 0 | 0 | 113.2 | Q103 V104 L145 L642 V643 | Q103-Y107 WeakPolarHBondContact O-CB 3.35Å; Q103-Y107 PolarHBondContact O-N 3.23Å; V104-Y107 PolarHBondContact O-N 2.89Å; Y107-L145 HydrophobicContact CD2-CD2 4.29Å; Y107-L642 HydrophobicContact CD1-CD2 3.8Å; Y107-L642 HydrophobicContact CD2-CD1 4.16Å; Y107-L642 HydrophobicContact CD2-CD2 4.06Å; Y107-L642 HydrophobicContact CE1-CD2 4Å; Y107-L642 HydrophobicContact CE2-CB 4.28Å; Y107-L642 HydrophobicContact CE2-CD2 4.27Å; Y107-L642 HydrophobicContact CG-CD2 3.81Å; Y107-V643 PolarHBondContact OH-O 3.4Å |
| 108 | Y | 88.2 | Confident | 89.1 | Confident | 64 Ų | 64 | 37 Ų | 37 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -94.6 | -22.6 | -175.7 | -70.1 | -85 | 0 | 0 | 0 | 114.1 | I63 A66 V104 | I63-Y108 HydrophobicContact CB-CE2 4.45Å; I63-Y108 HydrophobicContact CG1-CD2 4.27Å; I63-Y108 HydrophobicContact CG1-CE2 3.73Å; I63-Y108 HydrophobicContact CG2-CE1 4.46Å; I63-Y108 HydrophobicContact CG2-CE2 4.43Å; A66-Y108 HydrophobicContact CB-CD1 3.49Å; A66-Y108 VanDerWaalsContact CB-CD1 3.49Å; A66-Y108 HydrophobicContact CB-CE1 4.36Å; A66-Y108 HydrophobicContact CB-CG 3.95Å; V104-Y108 HydrophobicContact CG1-CD2 4.01Å; V104-Y108 WeakPolarHBondContact O-CD2 3.46Å; V104-Y108 PolarHBondContact O-N 3.15Å |
| 109 | Y | 88.8 | Confident | 89 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | -126.9 | 45.7 | -176.4 | -53 | -99.5 | 0 | 0 | 0 | 113.2 | L62 A65 A66 R72 V75 L105 S111 A112 C113 | L62-Y109 HydrophobicContact CB-CE2 4.24Å; L62-Y109 HydrophobicContact CD2-CE2 4.26Å; L62-Y109 WeakPolarHBondContact O-CE2 3.21Å; L62-Y109 PolarHBondContact O-OH 3.41Å; A65-Y109 WeakPolarHBondContact CB-OH 3.25Å; A66-Y109 HydrophobicContact CB-CE2 4.34Å; A66-Y109 PolarHBondContact N-OH 3.41Å; R72-Y109 HydrophobicContact CB-CE1 4.29Å; R72-Y109 HydrophobicContact CG-CD1 3.92Å; R72-Y109 HydrophobicContact CG-CE1 3.59Å; R72-Y109 WeakPolarHBondContact O-CE1 3.45Å; V75-Y109 HydrophobicContact CB-CE1 3.76Å; V75-Y109 HydrophobicContact CG1-CD1 4.16Å; V75-Y109 HydrophobicContact CG1-CE1 3.5Å; V75-Y109 VanDerWaalsContact CG1-CE1 3.5Å; L105-Y109 HydrophobicContact CD2-CD2 4.3Å; L105-Y109 CarbonylContact O-C 3.57Å; L105-Y109 VanDerWaalsContact O-CA 3.31Å; L105-Y109 WeakPolarHBondContact O-CA 3.38Å; L105-Y109 VanDerWaalsContact O-CB 3.28Å; L105-Y109 WeakPolarHBondContact O-CB 3.47Å; L105-Y109 PolarHBondContact O-N 2.99Å; Y109-S111 PolarHBondContact O-N 2.94Å; Y109-A112 WeakPolarHBondContact O-CB 3.24Å; Y109-A112 PolarHBondContact O-N 3.13Å; Y109-C113 PolarHBondContact O-N 3.5Å; Y109-C113 VanDerWaalsContact O-N 3.15Å | ||
| 110 | P | 85.5 | Confident | 88.9 | Confident | 60 Ų | 60 | 41.8 Ų | 41.8 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.1 | -44.1 | -170.1 | 22.5 | -34.1 | 0 | 0 | 0 | 113.1 | Q106 A112 C113 G114 M149 | Q106-P110 WeakPolarHBondContact O-CA 3.27Å; Q106-P110 WeakPolarHBondContact O-CB 3.25Å; Q106-P110 WeakPolarHBondContact O-CD 3.38Å; P110-A112 PolarHBondContact O-N 3.29Å; P110-A112 VanDerWaalsContact O-N 3.14Å; P110-C113 PolarHBondContact O-N 2.96Å; P110-G114 PolarHBondContact O-N 2.89Å; P110-M149 VanDerWaalsContact CA-SD 3.54Å; P110-M149 HydrophobicContact CB-CE 4.26Å; P110-M149 HydrophobicContact CB-SD 3.47Å; P110-M149 WeakPolarHBondContact CB-SD 3.35Å; P110-M149 WeakPolarHBondContact O-CE 3.17Å |
| 111 | S | 83.5 | Confident | 88.9 | Confident | 121 Ų | 121 | 39.9 Ų | 39.9 | 85% | 0.846 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.5 | -22.6 | 178.8 | -46.4 | 0 | 0 | 0 | 0 | 114 | Y109 | Y109-S111 PolarHBondContact O-N 2.94Å |
| 112 | A | 85.8 | Confident | 88.9 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.3 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | G76 A80 Y109 P110 G114 | G76-A112 WeakPolarHBondContact O-CB 3.19Å; A80-A112 HydrophobicContact CB-CB 3.79Å; Y109-A112 WeakPolarHBondContact O-CB 3.24Å; Y109-A112 PolarHBondContact O-N 3.13Å; P110-A112 PolarHBondContact O-N 3.29Å; P110-A112 VanDerWaalsContact O-N 3.14Å; A112-G114 VanDerWaalsContact C-N 3.33Å |
| 113 | C | 87 | Confident | 88.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.8 | -12.9 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | Q106 Y109 P110 N115 V116 S117 I120 M149 | Q106-C113 HydrophobicContact CG-CB 4.37Å; Y109-C113 PolarHBondContact O-N 3.5Å; Y109-C113 VanDerWaalsContact O-N 3.15Å; P110-C113 PolarHBondContact O-N 2.96Å; C113-N115 VanDerWaalsContact C-N 3.26Å; C113-N115 PolarHBondContact O-N 3.45Å; C113-V116 HydrophobicContact CB-CG2 4.35Å; C113-V116 CarbonylContact O-C 3.57Å; C113-V116 VanDerWaalsContact O-CG2 3.26Å; C113-V116 WeakPolarHBondContact O-CG2 3.24Å; C113-V116 PolarHBondContact O-N 2.95Å; C113-S117 PolarHBondContact O-N 3.42Å; C113-I120 HydrophobicContact CB-CD1 4.31Å; C113-M149 HydrophobicContact CB-CE 3.56Å |
| 114 | G | 83.8 | Confident | 88.9 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P110 A112 V116 S117 N151 | P110-G114 PolarHBondContact O-N 2.89Å; A112-G114 VanDerWaalsContact C-N 3.33Å; G114-V116 VanDerWaalsContact C-N 3.32Å; G114-S117 PolarHBondContact O-OG 2.87Å; G114-N151 PolarHBondContact O-ND2 3.49Å |
| 115 | N | 83.1 | Confident | 89 | Confident | 149 Ų | 149 | 45 Ų | 45 | 80% | 0.797 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.8 | 174.8 | -73.9 | -17.3 | 0 | 0 | 0 | 113.8 | C113 | C113-N115 VanDerWaalsContact C-N 3.26Å; C113-N115 PolarHBondContact O-N 3.45Å |
| 116 | V | 87.6 | Confident | 89.1 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -126.7 | 11.2 | 179.4 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | V81 V84 C113 G114 Q118 R119 I120 | V81-V116 HydrophobicContact CG1-CG1 4.06Å; V81-V116 HydrophobicContact CG2-CG1 4.11Å; V81-V116 HydrophobicContact CG2-CG2 4.41Å; V84-V116 HydrophobicContact CB-CG2 4.06Å; V84-V116 HydrophobicContact CG1-CB 4Å; V84-V116 HydrophobicContact CG1-CG2 3.8Å; V84-V116 HydrophobicContact CG2-CG2 3.99Å; C113-V116 HydrophobicContact CB-CG2 4.35Å; C113-V116 CarbonylContact O-C 3.57Å; C113-V116 VanDerWaalsContact O-CG2 3.26Å; C113-V116 WeakPolarHBondContact O-CG2 3.24Å; C113-V116 PolarHBondContact O-N 2.95Å; G114-V116 VanDerWaalsContact C-N 3.32Å; V116-Q118 PolarHBondContact O-N 3.43Å; V116-R119 WeakPolarHBondContact O-CB 3.48Å; V116-R119 PolarHBondContact O-N 3.4Å; V116-I120 HydrophobicContact CG2-CD1 4.28Å; V116-I120 WeakPolarHBondContact O-CG1 3.5Å; V116-I120 PolarHBondContact O-N 3.33Å; V116-I120 VanDerWaalsContact O-N 3.14Å |
| 117 | S | 87.6 | Confident | 89.3 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -49 | -55.2 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | C113 G114 R119 I120 E121 | C113-S117 PolarHBondContact O-N 3.42Å; G114-S117 PolarHBondContact O-OG 2.87Å; S117-R119 PolarHBondContact O-N 3.43Å; S117-R119 VanDerWaalsContact O-N 3.14Å; S117-I120 CarbonylContact O-C 3.58Å; S117-I120 WeakPolarHBondContact O-CA 3.24Å; S117-I120 PolarHBondContact O-N 3.22Å; S117-E121 WeakPolarHBondContact O-CG 3.23Å; S117-E121 PolarHBondContact O-N 2.92Å |
| 118 | Q | 88.3 | Confident | 89.6 | Confident | 154 Ų | 154 | 46.5 Ų | 46.5 | 72% | 0.72 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -56.2 | -32.1 | 179.5 | -167.3 | -175.2 | 20.2 | 0 | 0 | 113.6 | V116 S122 | V116-Q118 PolarHBondContact O-N 3.43Å; Q118-S122 WeakPolarHBondContact O-CB 3.31Å; Q118-S122 PolarHBondContact O-N 3.13Å; Q118-S122 PolarHBondContact O-OG 2.99Å |
| 119 | R | 90.8 | Very high | 89.9 | Confident | 102 Ų | 102 | 45.3 Ų | 45.3 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.9 | -32.7 | 176.5 | -180 | 174.6 | 172.7 | 141.8 | 2.8 | 112.1 | T85 T88 V116 S117 S122 Y123 | T85-R119 PolarHBondContact O-NH2 3.47Å; T88-R119 HydrophobicContact CG2-CG 4.42Å; T88-R119 PolarHBondContact OG1-NE 3.35Å; T88-R119 PolarHBondContact OG1-NH2 3.32Å; V116-R119 WeakPolarHBondContact O-CB 3.48Å; V116-R119 PolarHBondContact O-N 3.4Å; S117-R119 PolarHBondContact O-N 3.43Å; S117-R119 VanDerWaalsContact O-N 3.14Å; R119-S122 PolarHBondContact O-OG 2.88Å; R119-Y123 WeakPolarHBondContact O-CB 3.41Å; R119-Y123 PolarHBondContact O-N 3.19Å |
| 120 | I | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.9 | -39.2 | 174.4 | -55 | 166.2 | 0 | 0 | 0 | 110 | V84 L102 Q106 C113 V116 S117 Y123 A124 L142 | V84-I120 HydrophobicContact CG1-CD1 3.9Å; V84-I120 HydrophobicContact CG1-CG1 3.52Å; V84-I120 HydrophobicContact CG2-CD1 3.93Å; V84-I120 HydrophobicContact CG2-CG1 4.42Å; L102-I120 HydrophobicContact CB-CG2 4.49Å; L102-I120 HydrophobicContact CD1-CG2 4.45Å; L102-I120 HydrophobicContact CD2-CG1 4.42Å; Q106-I120 HydrophobicContact CG-CD1 4.16Å; Q106-I120 VanDerWaalsContact NE2-CG2 3.25Å; C113-I120 HydrophobicContact CB-CD1 4.31Å; V116-I120 HydrophobicContact CG2-CD1 4.28Å; V116-I120 WeakPolarHBondContact O-CG1 3.5Å; V116-I120 PolarHBondContact O-N 3.33Å; V116-I120 VanDerWaalsContact O-N 3.14Å; S117-I120 CarbonylContact O-C 3.58Å; S117-I120 WeakPolarHBondContact O-CA 3.24Å; S117-I120 PolarHBondContact O-N 3.22Å; I120-Y123 PolarHBondContact O-N 3.08Å; I120-A124 WeakPolarHBondContact O-CB 3.31Å; I120-A124 PolarHBondContact O-N 2.64Å; I120-L142 HydrophobicContact CG2-CD1 3.63Å; I120-L142 HydrophobicContact CG2-CD2 3.76Å; I120-L142 HydrophobicContact CG2-CG 3.68Å |
| 121 | E | 91.8 | Very high | 90.3 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -50.5 | 172.3 | -72.6 | 174.4 | -168 | 0 | 0 | 111.5 | S117 Y123 A124 V125 Y143 T146 R160 | S117-E121 WeakPolarHBondContact O-CG 3.23Å; S117-E121 PolarHBondContact O-N 2.92Å; E121-Y123 VanDerWaalsContact C-N 3.32Å; E121-Y123 PolarHBondContact O-N 3.07Å; E121-A124 PolarHBondContact O-N 3.42Å; E121-V125 WeakPolarHBondContact O-CB 3.45Å; E121-V125 VanDerWaalsContact O-CG2 3.27Å; E121-V125 WeakPolarHBondContact O-CG2 3.35Å; E121-V125 PolarHBondContact O-N 2.92Å; E121-Y143 HydrophobicContact CB-CD2 4.43Å; E121-Y143 HydrophobicContact CB-CE2 4.22Å; E121-Y143 HydrophobicContact CG-CD2 4.4Å; E121-Y143 HydrophobicContact CG-CE2 4.17Å; E121-T146 HydrophobicContact CG-CG2 3.48Å; E121-T146 VanDerWaalsContact CG-CG2 3.48Å; E121-R160 IonicContact OE1-CZ 3.54Å; E121-R160 VanDerWaalsContact OE1-CZ 3.25Å; E121-R160 IonicContact OE1-NH1 3.12Å; E121-R160 PolarHBondContact OE1-NH1 2.83Å; E121-R160 IonicContact OE1-NH2 2.67Å; E121-R160 PolarHBondContact OE1-NH2 2.9Å; E121-R160 IonicContact OE2-NH1 2.75Å; E121-R160 IonicContact OE2-NH2 3.88Å |
| 122 | S | 91.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 48 Ų | 48 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.1 | -33.2 | 179.7 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | Q118 R119 S126 | Q118-S122 WeakPolarHBondContact O-CB 3.31Å; Q118-S122 PolarHBondContact O-N 3.13Å; Q118-S122 PolarHBondContact O-OG 2.99Å; R119-S122 PolarHBondContact O-OG 2.88Å; S122-S126 WeakPolarHBondContact O-CB 3.38Å; S122-S126 PolarHBondContact O-N 2.98Å; S122-S126 PolarHBondContact O-OG 3.18Å |
| 123 | Y | 94.2 | Very high | 91 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 172.2 | -179.5 | -102.6 | 0 | 0 | 0 | 113 | T88 M99 L102 R119 I120 E121 S126 N127 L142 | T88-Y123 HydrophobicContact CG2-CD1 4.06Å; T88-Y123 HydrophobicContact CG2-CD2 4.3Å; T88-Y123 HydrophobicContact CG2-CG 3.78Å; T88-Y123 WeakPolarHBondContact O-CD2 3.45Å; T88-Y123 WeakPolarHBondContact O-CE2 3.47Å; M99-Y123 HydrophobicContact CE-CD1 4.38Å; M99-Y123 HydrophobicContact CE-CE1 3.77Å; M99-Y123 HydrophobicContact CG-CE1 3.84Å; L102-Y123 HydrophobicContact CD1-CD1 3.81Å; L102-Y123 HydrophobicContact CD1-CE1 3.86Å; R119-Y123 WeakPolarHBondContact O-CB 3.41Å; R119-Y123 PolarHBondContact O-N 3.19Å; I120-Y123 PolarHBondContact O-N 3.08Å; E121-Y123 VanDerWaalsContact C-N 3.32Å; E121-Y123 PolarHBondContact O-N 3.07Å; Y123-S126 PolarHBondContact O-OG 3.17Å; Y123-S126 VanDerWaalsContact O-OG 3.08Å; Y123-N127 PolarHBondContact O-ND2 3.11Å; Y123-L142 HydrophobicContact CD1-CD2 4.4Å |
| 124 | A | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.6 | -50.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I120 E121 S126 N127 F128 L142 Y143 | I120-A124 WeakPolarHBondContact O-CB 3.31Å; I120-A124 PolarHBondContact O-N 2.64Å; E121-A124 PolarHBondContact O-N 3.42Å; A124-S126 PolarHBondContact O-N 3.4Å; A124-N127 PolarHBondContact O-N 3.44Å; A124-F128 HydrophobicContact CB-CE1 4.37Å; A124-F128 WeakPolarHBondContact O-CD1 3.34Å; A124-F128 WeakPolarHBondContact O-CE1 3.43Å; A124-F128 PolarHBondContact O-N 3.46Å; A124-L142 HydrophobicContact CB-CD2 4.49Å; A124-L142 HydrophobicContact CB-CG 4.47Å; A124-Y143 HydrophobicContact CB-CD2 4.45Å |
| 125 | V | 94 | Very high | 91.8 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -41.1 | -178.6 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | E121 N127 F128 Y143 I197 V198 | E121-V125 WeakPolarHBondContact O-CB 3.45Å; E121-V125 VanDerWaalsContact O-CG2 3.27Å; E121-V125 WeakPolarHBondContact O-CG2 3.35Å; E121-V125 PolarHBondContact O-N 2.92Å; V125-N127 PolarHBondContact O-N 3.03Å; V125-N127 VanDerWaalsContact O-N 3.15Å; V125-F128 HydrophobicContact CB-CE2 4.48Å; V125-F128 HydrophobicContact CG2-CD2 4.47Å; V125-F128 HydrophobicContact CG2-CE2 3.93Å; V125-F128 HydrophobicContact CG2-CZ 4.1Å; V125-F128 WeakPolarHBondContact O-CB 3.48Å; V125-F128 PolarHBondContact O-N 2.98Å; V125-F128 VanDerWaalsContact O-N 3.09Å; V125-Y143 HydrophobicContact CG2-CD2 3.85Å; V125-Y143 HydrophobicContact CG2-CE2 3.8Å; V125-I197 HydrophobicContact CB-CG2 4.5Å; V125-I197 HydrophobicContact CG1-CG2 3.99Å; V125-I197 HydrophobicContact CG2-CG2 3.6Å; V125-V198 HydrophobicContact CG1-CG2 3.65Å |
| 126 | S | 93.4 | Very high | 92.4 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 53% | 0.531 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -18.6 | 177.5 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | S122 Y123 A124 | S122-S126 WeakPolarHBondContact O-CB 3.38Å; S122-S126 PolarHBondContact O-N 2.98Å; S122-S126 PolarHBondContact O-OG 3.18Å; Y123-S126 PolarHBondContact O-OG 3.17Å; Y123-S126 VanDerWaalsContact O-OG 3.08Å; A124-S126 PolarHBondContact O-N 3.4Å |
| 127 | N | 94.5 | Very high | 92.7 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 15% | 0.15 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -6.3 | 176.9 | -79.9 | -86.8 | 0 | 0 | 0 | 113.9 | M99 Y123 A124 V125 S129 S130 V135 A139 | M99-N127 HydrophobicContact CE-CB 3.56Å; M99-N127 WeakPolarHBondContact CE-ND2 3.17Å; Y123-N127 PolarHBondContact O-ND2 3.11Å; A124-N127 PolarHBondContact O-N 3.44Å; V125-N127 PolarHBondContact O-N 3.03Å; V125-N127 VanDerWaalsContact O-N 3.15Å; N127-S129 VanDerWaalsContact C-N 3.25Å; N127-S129 PolarHBondContact O-N 3.29Å; N127-S130 WeakPolarHBondContact O-CB 3.28Å; N127-S130 PolarHBondContact O-N 3.36Å; N127-S130 VanDerWaalsContact O-N 3.08Å; N127-V135 HydrophobicContact CB-CG1 3.96Å; N127-V135 WeakPolarHBondContact OD1-CG1 3.33Å; N127-A139 HydrophobicContact CB-CB 3.89Å |
| 128 | F | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.3 | -179.7 | -73.5 | 0.4 | 0 | 0 | 0 | 113.5 | A124 V125 S130 R136 A139 Y143 V198 N210 V211 S214 V215 C218 | A124-F128 HydrophobicContact CB-CE1 4.37Å; A124-F128 WeakPolarHBondContact O-CD1 3.34Å; A124-F128 WeakPolarHBondContact O-CE1 3.43Å; A124-F128 PolarHBondContact O-N 3.46Å; V125-F128 HydrophobicContact CB-CE2 4.48Å; V125-F128 HydrophobicContact CG2-CD2 4.47Å; V125-F128 HydrophobicContact CG2-CE2 3.93Å; V125-F128 HydrophobicContact CG2-CZ 4.1Å; V125-F128 WeakPolarHBondContact O-CB 3.48Å; V125-F128 PolarHBondContact O-N 2.98Å; V125-F128 VanDerWaalsContact O-N 3.09Å; F128-S130 VanDerWaalsContact C-N 3.33Å; F128-R136 WeakPolarHBondContact O-CD 3.27Å; F128-A139 HydrophobicContact CD1-CB 4.07Å; F128-A139 HydrophobicContact CE1-CB 4.22Å; F128-Y143 HydrophobicContact CZ-CD1 4.38Å; F128-Y143 HydrophobicContact CZ-CD2 4.1Å; F128-Y143 AromaticContact CZ-CG 3.83Å; F128-Y143 HydrophobicContact CZ-CG 3.83Å; F128-V198 HydrophobicContact CD2-CG2 4.44Å; F128-N210 CarbonylContact O-C 3.14Å; F128-N210 VanDerWaalsContact O-O 3.04Å; F128-V211 HydrophobicContact CB-CG2 4.11Å; F128-V211 PolarHBondContact O-N 3.33Å; F128-S214 WeakPolarHBondContact CA-OG 3.48Å; F128-S214 PolarHBondContact O-OG 3.42Å; F128-V215 HydrophobicContact CD2-CG2 4.06Å; F128-V215 HydrophobicContact CE2-CG2 4.05Å; F128-C218 VanDerWaalsContact CZ-SG 3.55Å |
| 129 | S | 93.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8.4 | 178.1 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | N127 N210 | N127-S129 VanDerWaalsContact C-N 3.25Å; N127-S129 PolarHBondContact O-N 3.29Å; S129-N210 PolarHBondContact O-ND2 2.89Å; S129-N210 VanDerWaalsContact O-ND2 3.09Å |
| 130 | S | 92.7 | Very high | 93.6 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 22% | 0.217 | 21% | 0.213 | C | C | . | . | trans | -54.8 | 139.1 | -175.1 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | N127 F128 N132 R136 N210 | N127-S130 WeakPolarHBondContact O-CB 3.28Å; N127-S130 PolarHBondContact O-N 3.36Å; N127-S130 VanDerWaalsContact O-N 3.08Å; F128-S130 VanDerWaalsContact C-N 3.33Å; S130-N132 VanDerWaalsContact C-N 3.31Å; S130-N132 PolarHBondContact O-N 3.31Å; S130-N132 PolarHBondContact OG-N 3.41Å; S130-R136 VanDerWaalsContact O-CD 3.24Å; S130-R136 WeakPolarHBondContact O-CD 3.46Å; S130-R136 VanDerWaalsContact O-CG 3.27Å; S130-R136 WeakPolarHBondContact O-CG 3.42Å; S130-R136 PolarHBondContact O-NH1 3.23Å; S130-N210 PolarHBondContact O-ND2 3.16Å | ||
| 131 | H | 91.3 | Very high | 93.7 | Very high | 132 Ų | 132 | 39.9 Ų | 39.9 | 61% | 0.611 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -71.1 | -26.9 | 177.5 | -66.1 | -91.1 | 0 | 0 | 0 | 112.4 | A133 R136 | H131-A133 PolarHBondContact O-N 2.91Å; H131-R136 VanDerWaalsContact C-NH1 3.28Å; H131-R136 PolarHBondContact O-NH1 2.95Å |
| 132 | N | 92.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 38.4 Ų | 38.4 | 44% | 0.444 | 21% | 0.214 | S | C | . | . | trans | -73.9 | 120.5 | 176.6 | -178.7 | -40.1 | 0 | 0 | 0 | 110.7 | S130 D134 V135 R136 | S130-N132 VanDerWaalsContact C-N 3.31Å; S130-N132 PolarHBondContact O-N 3.31Å; S130-N132 PolarHBondContact OG-N 3.41Å; N132-D134 VanDerWaalsContact C-N 3.35Å; N132-D134 PolarHBondContact O-N 2.97Å; N132-D134 PolarHBondContact OD1-N 2.85Å; N132-V135 HydrophobicContact CB-CB 4.07Å; N132-V135 HydrophobicContact CB-CG2 3.81Å; N132-V135 PolarHBondContact O-N 3.49Å; N132-V135 PolarHBondContact OD1-N 3.43Å; N132-V135 VanDerWaalsContact OD1-N 3.15Å; N132-R136 PolarHBondContact O-N 2.89Å; N132-R136 VanDerWaalsContact O-N 3.12Å | ||
| 133 | A | 92 | Very high | 93.9 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.9 | -33.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H131 R136 R137 | H131-A133 PolarHBondContact O-N 2.91Å; A133-R136 PolarHBondContact O-N 2.97Å; A133-R137 VanDerWaalsContact O-CG 3.31Å; A133-R137 WeakPolarHBondContact O-CG 3.24Å; A133-R137 PolarHBondContact O-N 2.87Å |
| 134 | D | 92.9 | Very high | 93.8 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 42% | 0.422 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -78.2 | -33.7 | 179.9 | -63.7 | -37.5 | 0 | 0 | 0 | 111.5 | V96 N132 R136 R137 Q138 | V96-D134 HydrophobicContact CG2-CB 4.24Å; N132-D134 VanDerWaalsContact C-N 3.35Å; N132-D134 PolarHBondContact O-N 2.97Å; N132-D134 PolarHBondContact OD1-N 2.85Å; D134-R136 VanDerWaalsContact C-N 3.33Å; D134-R136 PolarHBondContact O-N 3.18Å; D134-R137 PolarHBondContact O-N 3.46Å; D134-R137 IonicContact OD1-CZ 3.07Å; D134-R137 IonicContact OD1-NH1 3.37Å; D134-R137 PolarHBondContact OD1-NH1 2.97Å; D134-Q138 WeakPolarHBondContact O-CB 3.21Å; D134-Q138 VanDerWaalsContact O-CG 3.24Å; D134-Q138 WeakPolarHBondContact O-CG 3.29Å; D134-Q138 PolarHBondContact O-N 3.05Å |
| 135 | V | 94.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 166.9 | 175 | 0 | 0 | 0 | 0 | 110.3 | A95 V96 M99 N127 N132 R137 Q138 A139 | A95-V135 HydrophobicContact CB-CG1 4.37Å; A95-V135 HydrophobicContact CB-CG2 4.29Å; V96-V135 HydrophobicContact CG2-CG2 3.84Å; M99-V135 HydrophobicContact CE-CG1 4.22Å; N127-V135 HydrophobicContact CB-CG1 3.96Å; N127-V135 WeakPolarHBondContact OD1-CG1 3.33Å; N132-V135 HydrophobicContact CB-CB 4.07Å; N132-V135 HydrophobicContact CB-CG2 3.81Å; N132-V135 PolarHBondContact O-N 3.49Å; N132-V135 PolarHBondContact OD1-N 3.43Å; N132-V135 VanDerWaalsContact OD1-N 3.15Å; V135-R137 PolarHBondContact O-N 3.41Å; V135-Q138 PolarHBondContact O-N 3.18Å; V135-A139 VanDerWaalsContact O-CB 3.23Å; V135-A139 WeakPolarHBondContact O-CB 3.34Å; V135-A139 PolarHBondContact O-N 3.12Å |
| 136 | R | 94.2 | Very high | 93.3 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 176 | -71.2 | -163.5 | -55.2 | -85.1 | 4.9 | 113 | F128 S130 H131 N132 A133 D134 A140 S214 | F128-R136 WeakPolarHBondContact O-CD 3.27Å; S130-R136 VanDerWaalsContact O-CD 3.24Å; S130-R136 WeakPolarHBondContact O-CD 3.46Å; S130-R136 VanDerWaalsContact O-CG 3.27Å; S130-R136 WeakPolarHBondContact O-CG 3.42Å; S130-R136 PolarHBondContact O-NH1 3.23Å; H131-R136 VanDerWaalsContact C-NH1 3.28Å; H131-R136 PolarHBondContact O-NH1 2.95Å; N132-R136 PolarHBondContact O-N 2.89Å; N132-R136 VanDerWaalsContact O-N 3.12Å; A133-R136 PolarHBondContact O-N 2.97Å; D134-R136 VanDerWaalsContact C-N 3.33Å; D134-R136 PolarHBondContact O-N 3.18Å; R136-A140 VanDerWaalsContact O-CB 3.3Å; R136-A140 WeakPolarHBondContact O-CB 3.46Å; R136-A140 PolarHBondContact O-N 2.93Å; R136-S214 WeakPolarHBondContact CB-OG 3.21Å; R136-S214 WeakPolarHBondContact CD-OG 3.27Å; R136-S214 WeakPolarHBondContact CG-OG 2.92Å |
| 137 | R | 94.3 | Very high | 92.6 | Very high | 103 Ų | 103 | 29.9 Ų | 29.9 | 39% | 0.389 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 178.7 | -72.3 | 165.9 | -177.8 | 153.5 | -3.4 | 112.5 | A133 D134 V135 A139 A140 C141 Y217 | A133-R137 VanDerWaalsContact O-CG 3.31Å; A133-R137 WeakPolarHBondContact O-CG 3.24Å; A133-R137 PolarHBondContact O-N 2.87Å; D134-R137 PolarHBondContact O-N 3.46Å; D134-R137 IonicContact OD1-CZ 3.07Å; D134-R137 IonicContact OD1-NH1 3.37Å; D134-R137 PolarHBondContact OD1-NH1 2.97Å; V135-R137 PolarHBondContact O-N 3.41Å; R137-A139 VanDerWaalsContact C-N 3.35Å; R137-A140 PolarHBondContact O-N 3.32Å; R137-C141 PolarHBondContact O-N 2.88Å; R137-Y217 HydrophobicContact CG-CD2 4.29Å; R137-Y217 HydrophobicContact CG-CE1 4.42Å; R137-Y217 HydrophobicContact CG-CE2 3.93Å; R137-Y217 PolarHBondContact NE-OH 2.92Å |
| 138 | Q | 95.2 | Very high | 91.5 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.5 | -37.2 | 179.5 | -64.4 | -56.2 | -41.7 | 0 | 0 | 111.5 | V96 M99 Q103 D134 V135 L142 | V96-Q138 HydrophobicContact CG1-CG 4.2Å; V96-Q138 HydrophobicContact CG2-CG 4.14Å; M99-Q138 HydrophobicContact CB-CB 3.82Å; M99-Q138 HydrophobicContact CG-CB 4.44Å; M99-Q138 HydrophobicContact SD-CB 3.76Å; Q103-Q138 PolarHBondContact NE2-O 2.96Å; D134-Q138 WeakPolarHBondContact O-CB 3.21Å; D134-Q138 VanDerWaalsContact O-CG 3.24Å; D134-Q138 WeakPolarHBondContact O-CG 3.29Å; D134-Q138 PolarHBondContact O-N 3.05Å; V135-Q138 PolarHBondContact O-N 3.18Å; Q138-L142 WeakPolarHBondContact O-CB 3.4Å; Q138-L142 PolarHBondContact O-N 3.04Å |
| 139 | A | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M99 N127 F128 V135 R137 L142 Y143 | M99-A139 HydrophobicContact CE-CB 3.96Å; M99-A139 HydrophobicContact SD-CB 3.92Å; M99-A139 PolarHBondContact SD-N 3.25Å; M99-A139 VanDerWaalsContact SD-N 3.38Å; N127-A139 HydrophobicContact CB-CB 3.89Å; F128-A139 HydrophobicContact CD1-CB 4.07Å; F128-A139 HydrophobicContact CE1-CB 4.22Å; V135-A139 VanDerWaalsContact O-CB 3.23Å; V135-A139 WeakPolarHBondContact O-CB 3.34Å; V135-A139 PolarHBondContact O-N 3.12Å; R137-A139 VanDerWaalsContact C-N 3.35Å; A139-L142 PolarHBondContact O-N 2.89Å; A139-Y143 PolarHBondContact O-N 3.4Å |
| 140 | A | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | R136 R137 Y143 A144 S214 C218 | R136-A140 VanDerWaalsContact O-CB 3.3Å; R136-A140 WeakPolarHBondContact O-CB 3.46Å; R136-A140 PolarHBondContact O-N 2.93Å; R137-A140 PolarHBondContact O-N 3.32Å; A140-Y143 PolarHBondContact O-N 3Å; A140-A144 WeakPolarHBondContact O-CB 3.5Å; A140-A144 PolarHBondContact O-N 2.89Å; A140-S214 VanDerWaalsContact CB-O 3.3Å; A140-S214 WeakPolarHBondContact CB-O 3.37Å; A140-C218 VanDerWaalsContact CA-SG 3.51Å |
| 141 | C | 94.3 | Very high | 86.6 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 16% | 0.155 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 172.8 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | R137 Y143 A144 L145 E221 | R137-C141 PolarHBondContact O-N 2.88Å; C141-Y143 VanDerWaalsContact C-N 3.34Å; C141-Y143 PolarHBondContact O-N 3.31Å; C141-A144 PolarHBondContact O-N 3.42Å; C141-L145 PolarHBondContact O-N 3.42Å; C141-E221 HydrophobicContact CB-CG 4.49Å |
| 142 | L | 94.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 177.5 | -178 | 60.5 | 0 | 0 | 0 | 112.5 | M99 L102 Q103 Q106 I120 Y123 A124 Q138 A139 T146 | M99-L142 HydrophobicContact CB-CD2 4.14Å; M99-L142 HydrophobicContact CG-CD2 3.9Å; L102-L142 HydrophobicContact CB-CD1 3.64Å; L102-L142 HydrophobicContact CB-CD2 3.88Å; L102-L142 HydrophobicContact CB-CG 4.44Å; L102-L142 HydrophobicContact CD1-CD2 3.83Å; Q103-L142 HydrophobicContact CG-CB 4.12Å; Q103-L142 HydrophobicContact CG-CD1 3.96Å; Q106-L142 PolarHBondContact OE1-O 2.98Å; I120-L142 HydrophobicContact CG2-CD1 3.63Å; I120-L142 HydrophobicContact CG2-CD2 3.76Å; I120-L142 HydrophobicContact CG2-CG 3.68Å; Y123-L142 HydrophobicContact CD1-CD2 4.4Å; A124-L142 HydrophobicContact CB-CD2 4.49Å; A124-L142 HydrophobicContact CB-CG 4.47Å; Q138-L142 WeakPolarHBondContact O-CB 3.4Å; Q138-L142 PolarHBondContact O-N 3.04Å; A139-L142 PolarHBondContact O-N 2.89Å; L142-T146 WeakPolarHBondContact O-CG2 3.49Å; L142-T146 PolarHBondContact O-N 2.7Å |
| 143 | Y | 94 | Very high | 83.2 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.4 | -42.3 | 172.6 | -171 | -90.9 | 0 | 0 | 0 | 111.5 | E121 A124 V125 F128 A139 A140 C141 L145 T146 L164 I197 C218 | E121-Y143 HydrophobicContact CB-CD2 4.43Å; E121-Y143 HydrophobicContact CB-CE2 4.22Å; E121-Y143 HydrophobicContact CG-CD2 4.4Å; E121-Y143 HydrophobicContact CG-CE2 4.17Å; A124-Y143 HydrophobicContact CB-CD2 4.45Å; V125-Y143 HydrophobicContact CG2-CD2 3.85Å; V125-Y143 HydrophobicContact CG2-CE2 3.8Å; F128-Y143 HydrophobicContact CZ-CD1 4.38Å; F128-Y143 HydrophobicContact CZ-CD2 4.1Å; F128-Y143 AromaticContact CZ-CG 3.83Å; F128-Y143 HydrophobicContact CZ-CG 3.83Å; A139-Y143 PolarHBondContact O-N 3.4Å; A140-Y143 PolarHBondContact O-N 3Å; C141-Y143 VanDerWaalsContact C-N 3.34Å; C141-Y143 PolarHBondContact O-N 3.31Å; Y143-L145 VanDerWaalsContact C-N 3.33Å; Y143-L145 PolarHBondContact O-N 3.49Å; Y143-T146 WeakPolarHBondContact O-CB 3.39Å; Y143-T146 PolarHBondContact O-N 2.85Å; Y143-T146 PolarHBondContact O-OG1 3.04Å; Y143-L164 HydrophobicContact CD1-CD1 4.46Å; Y143-L164 HydrophobicContact CD1-CD2 4.37Å; Y143-L164 HydrophobicContact CE1-CD1 4.1Å; Y143-L164 HydrophobicContact CE1-CD2 4.09Å; Y143-L164 HydrophobicContact CE1-CG 4.26Å; Y143-I197 HydrophobicContact CE1-CD1 4.32Å; Y143-C218 HydrophobicContact CD1-CB 4.32Å |
| 144 | A | 92.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A140 C141 T146 T147 E221 M222 I225 | A140-A144 WeakPolarHBondContact O-CB 3.5Å; A140-A144 PolarHBondContact O-N 2.89Å; C141-A144 PolarHBondContact O-N 3.42Å; A144-T146 VanDerWaalsContact C-N 3.26Å; A144-T146 PolarHBondContact O-N 2.89Å; A144-T147 WeakPolarHBondContact O-CB 3.33Å; A144-T147 WeakPolarHBondContact O-CG2 3.2Å; A144-T147 PolarHBondContact O-N 2.92Å; A144-T147 VanDerWaalsContact O-N 3.08Å; A144-T147 PolarHBondContact O-OG1 2.89Å; A144-E221 HydrophobicContact CB-CB 3.72Å; A144-M222 HydrophobicContact CB-CG 3.8Å; A144-I225 HydrophobicContact CB-CD1 3.81Å |
| 145 | L | 89.9 | Confident | 80.7 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -25 | 174.5 | -74.6 | 169.9 | 0 | 0 | 0 | 113.6 | Q103 Y107 C141 Y143 T147 S148 M149 I225 L642 | Q103-L145 HydrophobicContact CB-CD1 3.74Å; Q103-L145 HydrophobicContact CG-CD1 3.85Å; Y107-L145 HydrophobicContact CD2-CD2 4.29Å; C141-L145 PolarHBondContact O-N 3.42Å; Y143-L145 VanDerWaalsContact C-N 3.33Å; Y143-L145 PolarHBondContact O-N 3.49Å; L145-T147 PolarHBondContact O-N 3.37Å; L145-T147 VanDerWaalsContact O-N 3.15Å; L145-S148 PolarHBondContact O-OG 3.37Å; L145-S148 VanDerWaalsContact O-OG 3.1Å; L145-M149 VanDerWaalsContact O-CG 3.29Å; L145-M149 WeakPolarHBondContact O-CG 3.26Å; L145-I225 HydrophobicContact CD2-CD1 3.78Å; L145-I225 HydrophobicContact CD2-CG1 4.3Å; L145-I225 HydrophobicContact CD2-CG2 4.3Å; L145-I225 HydrophobicContact CG-CD1 3.88Å; L145-L642 HydrophobicContact CD1-CD1 4.27Å; L145-L642 HydrophobicContact CD2-CD1 4.44Å |
| 146 | T | 87.5 | Confident | 80 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.6 | 173.6 | 70.5 | 0 | 0 | 0 | 0 | 113.1 | Q106 E121 L142 Y143 A144 M149 R160 | Q106-T146 VanDerWaalsContact NE2-CG2 3.29Å; E121-T146 HydrophobicContact CG-CG2 3.48Å; E121-T146 VanDerWaalsContact CG-CG2 3.48Å; L142-T146 WeakPolarHBondContact O-CG2 3.49Å; L142-T146 PolarHBondContact O-N 2.7Å; Y143-T146 WeakPolarHBondContact O-CB 3.39Å; Y143-T146 PolarHBondContact O-N 2.85Å; Y143-T146 PolarHBondContact O-OG1 3.04Å; A144-T146 VanDerWaalsContact C-N 3.26Å; A144-T146 PolarHBondContact O-N 2.89Å; T146-M149 WeakPolarHBondContact O-CB 3.47Å; T146-M149 PolarHBondContact O-N 3.11Å; T146-R160 PolarHBondContact OG1-NH1 3.44Å; T146-R160 VanDerWaalsContact OG1-NH1 3.13Å |
| 147 | T | 78.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -24.9 | -175.4 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | A144 L145 M149 R160 M222 | A144-T147 WeakPolarHBondContact O-CB 3.33Å; A144-T147 WeakPolarHBondContact O-CG2 3.2Å; A144-T147 PolarHBondContact O-N 2.92Å; A144-T147 VanDerWaalsContact O-N 3.08Å; A144-T147 PolarHBondContact O-OG1 2.89Å; L145-T147 PolarHBondContact O-N 3.37Å; L145-T147 VanDerWaalsContact O-N 3.15Å; T147-M149 VanDerWaalsContact C-N 3.32Å; T147-R160 HydrophobicContact CG2-CB 4.41Å; T147-M222 HydrophobicContact CG2-CE 3.73Å; T147-M222 HydrophobicContact CG2-CG 3.97Å; T147-M222 HydrophobicContact CG2-SD 3.67Å |
| 148 | S | 71.3 | Confident | 79.3 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -18 | 167.6 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | L145 S150 | L145-S148 PolarHBondContact O-OG 3.37Å; L145-S148 VanDerWaalsContact O-OG 3.1Å; S148-S150 VanDerWaalsContact C-N 3.29Å; S148-S150 PolarHBondContact O-N 3.08Å |
| 149 | M | 66.7 | Low | 78.8 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 7% | 0.069 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -4 | -178.1 | -60.2 | -76.6 | -61.9 | 0 | 0 | 114.1 | Q106 P110 C113 L145 T146 T147 N151 | Q106-M149 HydrophobicContact CB-SD 4.24Å; Q106-M149 HydrophobicContact CG-CE 4.41Å; Q106-M149 HydrophobicContact CG-SD 4.47Å; P110-M149 VanDerWaalsContact CA-SD 3.54Å; P110-M149 HydrophobicContact CB-CE 4.26Å; P110-M149 HydrophobicContact CB-SD 3.47Å; P110-M149 WeakPolarHBondContact CB-SD 3.35Å; P110-M149 WeakPolarHBondContact O-CE 3.17Å; C113-M149 HydrophobicContact CB-CE 3.56Å; L145-M149 VanDerWaalsContact O-CG 3.29Å; L145-M149 WeakPolarHBondContact O-CG 3.26Å; T146-M149 WeakPolarHBondContact O-CB 3.47Å; T146-M149 PolarHBondContact O-N 3.11Å; T147-M149 VanDerWaalsContact C-N 3.32Å; M149-N151 PolarHBondContact O-N 3.17Å; M149-N151 VanDerWaalsContact O-N 3.12Å |
| 150 | S | 57.3 | Low | 78.5 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 30% | 0.301 | 23% | 0.234 | S | C | . | . | trans | -58.3 | 112.5 | -168.9 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | S148 L155 | S148-S150 VanDerWaalsContact C-N 3.29Å; S148-S150 PolarHBondContact O-N 3.08Å; S150-L155 PolarHBondContact OG-O 3.36Å | ||
| 151 | N | 54.5 | Low | 78.3 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | trans | -71.2 | 163.6 | 167.8 | -82 | -61.8 | 0 | 0 | 0 | 109.4 | G114 M149 K153 D154 | G114-N151 PolarHBondContact O-ND2 3.49Å; M149-N151 PolarHBondContact O-N 3.17Å; M149-N151 VanDerWaalsContact O-N 3.12Å; N151-K153 PolarHBondContact O-N 3.31Å; N151-D154 PolarHBondContact N-OD2 3.12Å; N151-D154 PolarHBondContact O-N 3.11Å | ||
| 152 | K | 53.9 | Low | 78.2 | Confident | 220 Ų | 220 | 47.6 Ų | 47.6 | 96% | 0.957 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 10.4 | -176.2 | -61.6 | -171.1 | 178.2 | -175.3 | 0 | 116 | ||
| 153 | K | 57.8 | Low | 78 | Confident | 199 Ų | 199 | 48.4 Ų | 48.4 | 87% | 0.865 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -13.6 | 178.2 | -66.9 | -174.4 | 176.1 | -177 | 0 | 113.3 | N151 | N151-K153 PolarHBondContact O-N 3.31Š|
| 154 | D | 63.2 | Low | 78 | Confident | 64 Ų | 64 | 47.8 Ų | 47.8 | 34% | 0.342 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -93.4 | 166.5 | -173.6 | -45.9 | -44.5 | 0 | 0 | 0 | 110.8 | N151 S156 | N151-D154 PolarHBondContact N-OD2 3.12Å; N151-D154 PolarHBondContact O-N 3.11Å; D154-S156 PolarHBondContact O-N 3.22Å |
| 155 | L | 70.4 | Confident | 78 | Confident | 93 Ų | 93 | 47.9 Ų | 47.9 | 49% | 0.487 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -55.9 | 131.3 | 176.2 | -75.9 | 158.1 | 0 | 0 | 0 | 111.2 | S150 D159 R160 | S150-L155 PolarHBondContact OG-O 3.36Å; L155-D159 HydrophobicContact CB-CB 4.48Å; L155-D159 HydrophobicContact CD2-CB 3.88Å; L155-R160 HydrophobicContact CB-CG 3.7Å; L155-R160 PolarHBondContact O-NE 3.1Å |
| 156 | S | 78.4 | Confident | 78.1 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 156 | 175.6 | 84.3 | 0 | 0 | 0 | 0 | 111.1 | D154 G158 D159 R160 | D154-S156 PolarHBondContact O-N 3.22Å; S156-G158 PolarHBondContact O-N 3.26Å; S156-G158 PolarHBondContact OG-N 3.37Å; S156-D159 WeakPolarHBondContact CB-OD2 3.49Å; S156-D159 PolarHBondContact O-N 2.92Å; S156-D159 VanDerWaalsContact OG-CG 3.25Å; S156-D159 PolarHBondContact OG-N 3.43Å; S156-D159 VanDerWaalsContact OG-N 3.14Å; S156-D159 PolarHBondContact OG-OD2 3.4Å; S156-R160 WeakPolarHBondContact O-CG 3.3Å; S156-R160 PolarHBondContact O-N 2.82Å |
| 157 | W | 87.4 | Confident | 78.4 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.2 | -42 | 176 | -173.7 | 113.3 | 0 | 0 | 0 | 111.5 | D159 R160 F161 M222 V223 G226 V231 L233 | W157-D159 PolarHBondContact O-N 2.68Å; W157-R160 PolarHBondContact O-N 3.5Å; W157-F161 HydrophobicContact CE3-CB 4.11Å; W157-F161 HydrophobicContact CE3-CD2 4.39Å; W157-F161 AromaticContact CH2-CD2 3.49Å; W157-F161 HydrophobicContact CH2-CD2 3.49Å; W157-F161 VanDerWaalsContact CH2-CD2 3.49Å; W157-F161 AromaticContact CH2-CE2 3.93Å; W157-F161 HydrophobicContact CH2-CE2 3.93Å; W157-F161 HydrophobicContact CH2-CG 4.3Å; W157-F161 HydrophobicContact CZ2-CD2 4.31Å; W157-F161 HydrophobicContact CZ3-CB 3.92Å; W157-F161 AromaticContact CZ3-CD2 3.54Å; W157-F161 HydrophobicContact CZ3-CD2 3.54Å; W157-F161 HydrophobicContact CZ3-CE2 4.3Å; W157-F161 AromaticContact CZ3-CG 3.88Å; W157-F161 HydrophobicContact CZ3-CG 3.88Å; W157-F161 WeakPolarHBondContact O-CB 3.28Å; W157-F161 PolarHBondContact O-N 2.93Å; W157-M222 HydrophobicContact CD2-CE 3.59Å; W157-M222 HydrophobicContact CE3-CE 4.08Å; W157-M222 HydrophobicContact CG-CE 3.9Å; W157-M222 HydrophobicContact CH2-CE 4.42Å; W157-M222 HydrophobicContact CZ2-CB 3.95Å; W157-M222 HydrophobicContact CZ2-CE 3.98Å; W157-M222 HydrophobicContact CZ3-CE 4.46Å; W157-V223 HydrophobicContact CH2-CG2 4.31Å; W157-G226 PolarHBondContact NE1-O 3.14Å; W157-V231 HydrophobicContact CB-CG1 4.01Å; W157-V231 HydrophobicContact CB-CG2 4.08Å; W157-V231 HydrophobicContact CD2-CG1 4.02Å; W157-V231 HydrophobicContact CE3-CB 4.45Å; W157-V231 HydrophobicContact CE3-CG1 3.56Å; W157-V231 HydrophobicContact CG-CG1 4.26Å; W157-V231 HydrophobicContact CG-CG2 4.31Å; W157-V231 HydrophobicContact CZ3-CG1 4.35Å; W157-L233 HydrophobicContact CH2-CD1 3.73Å; W157-L233 HydrophobicContact CZ3-CD1 3.7Å |
| 158 | G | 86.2 | Confident | 79 | Confident | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | S156 F161 R162 | S156-G158 PolarHBondContact O-N 3.26Å; S156-G158 PolarHBondContact OG-N 3.37Å; G158-F161 PolarHBondContact O-N 3.11Å; G158-R162 VanDerWaalsContact O-CG 3.24Å; G158-R162 WeakPolarHBondContact O-CG 3.46Å; G158-R162 PolarHBondContact O-N 3.42Å |
| 159 | D | 86.2 | Confident | 79.9 | Confident | 52 Ų | 52 | 47 Ų | 47 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.6 | -35.4 | 177.6 | -59.2 | -50.3 | 0 | 0 | 0 | 112.6 | L155 S156 W157 F161 R162 T163 | L155-D159 HydrophobicContact CB-CB 4.48Å; L155-D159 HydrophobicContact CD2-CB 3.88Å; S156-D159 WeakPolarHBondContact CB-OD2 3.49Å; S156-D159 PolarHBondContact O-N 2.92Å; S156-D159 VanDerWaalsContact OG-CG 3.25Å; S156-D159 PolarHBondContact OG-N 3.43Å; S156-D159 VanDerWaalsContact OG-N 3.14Å; S156-D159 PolarHBondContact OG-OD2 3.4Å; W157-D159 PolarHBondContact O-N 2.68Å; D159-F161 VanDerWaalsContact C-N 3.32Å; D159-F161 PolarHBondContact O-N 2.72Å; D159-R162 PolarHBondContact O-N 2.66Å; D159-R162 IonicContact OD1-CZ 2.7Å; D159-R162 IonicContact OD1-NH1 2.69Å; D159-R162 PolarHBondContact OD1-NH1 3.39Å; D159-T163 VanDerWaalsContact O-CB 3.31Å; D159-T163 WeakPolarHBondContact O-CB 3.49Å; D159-T163 PolarHBondContact O-N 2.94Å; D159-T163 PolarHBondContact O-OG1 3.36Å |
| 160 | R | 89.1 | Confident | 80.9 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 168.8 | -68.9 | 179.1 | 176.4 | -114.9 | 0.1 | 110.6 | E121 T146 T147 L155 S156 W157 T163 L164 M222 | E121-R160 IonicContact OE1-CZ 3.54Å; E121-R160 VanDerWaalsContact OE1-CZ 3.25Å; E121-R160 IonicContact OE1-NH1 3.12Å; E121-R160 PolarHBondContact OE1-NH1 2.83Å; E121-R160 IonicContact OE1-NH2 2.67Å; E121-R160 PolarHBondContact OE1-NH2 2.9Å; E121-R160 IonicContact OE2-NH1 2.75Å; E121-R160 IonicContact OE2-NH2 3.88Å; T146-R160 PolarHBondContact OG1-NH1 3.44Å; T146-R160 VanDerWaalsContact OG1-NH1 3.13Å; T147-R160 HydrophobicContact CG2-CB 4.41Å; L155-R160 HydrophobicContact CB-CG 3.7Å; L155-R160 PolarHBondContact O-NE 3.1Å; S156-R160 WeakPolarHBondContact O-CG 3.3Å; S156-R160 PolarHBondContact O-N 2.82Å; W157-R160 PolarHBondContact O-N 3.5Å; R160-T163 PolarHBondContact O-N 3.39Å; R160-L164 WeakPolarHBondContact O-CB 3.41Å; R160-L164 WeakPolarHBondContact O-CG 3.19Å; R160-L164 PolarHBondContact O-N 2.73Å; R160-M222 HydrophobicContact CB-CE 4.36Å |
| 161 | F | 91.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.1 | -163.1 | -79.1 | 0 | 0 | 0 | 112.2 | W157 G158 D159 L165 L219 M222 V223 L233 P234 I273 I277 | W157-F161 HydrophobicContact CE3-CB 4.11Å; W157-F161 HydrophobicContact CE3-CD2 4.39Å; W157-F161 AromaticContact CH2-CD2 3.49Å; W157-F161 HydrophobicContact CH2-CD2 3.49Å; W157-F161 VanDerWaalsContact CH2-CD2 3.49Å; W157-F161 AromaticContact CH2-CE2 3.93Å; W157-F161 HydrophobicContact CH2-CE2 3.93Å; W157-F161 HydrophobicContact CH2-CG 4.3Å; W157-F161 HydrophobicContact CZ2-CD2 4.31Å; W157-F161 HydrophobicContact CZ3-CB 3.92Å; W157-F161 AromaticContact CZ3-CD2 3.54Å; W157-F161 HydrophobicContact CZ3-CD2 3.54Å; W157-F161 HydrophobicContact CZ3-CE2 4.3Å; W157-F161 AromaticContact CZ3-CG 3.88Å; W157-F161 HydrophobicContact CZ3-CG 3.88Å; W157-F161 WeakPolarHBondContact O-CB 3.28Å; W157-F161 PolarHBondContact O-N 2.93Å; G158-F161 PolarHBondContact O-N 3.11Å; D159-F161 VanDerWaalsContact C-N 3.32Å; D159-F161 PolarHBondContact O-N 2.72Å; F161-L165 HydrophobicContact CD1-CD1 3.85Å; F161-L165 HydrophobicContact CD1-CG 4.16Å; F161-L165 HydrophobicContact CE1-CD1 3.68Å; F161-L165 HydrophobicContact CE1-CG 4.02Å; F161-L165 PolarHBondContact O-N 3.25Å; F161-L219 HydrophobicContact CB-CD2 4.37Å; F161-L219 HydrophobicContact CD1-CD2 3.82Å; F161-L219 HydrophobicContact CD2-CD2 3.42Å; F161-L219 VanDerWaalsContact CD2-CD2 3.42Å; F161-L219 HydrophobicContact CE1-CD2 3.87Å; F161-L219 HydrophobicContact CE2-CB 4.26Å; F161-L219 HydrophobicContact CE2-CD2 3.45Å; F161-L219 VanDerWaalsContact CE2-CD2 3.45Å; F161-L219 HydrophobicContact CE2-CG 4.47Å; F161-L219 HydrophobicContact CG-CD2 3.6Å; F161-L219 HydrophobicContact CZ-CB 4.48Å; F161-L219 HydrophobicContact CZ-CD2 3.67Å; F161-M222 HydrophobicContact CB-CE 4.13Å; F161-M222 HydrophobicContact CD2-CE 4.16Å; F161-V223 HydrophobicContact CE2-CG2 3.83Å; F161-L233 HydrophobicContact CE2-CD1 4.46Å; F161-L233 HydrophobicContact CZ-CD1 4.45Å; F161-P234 HydrophobicContact CB-CG 4.46Å; F161-P234 HydrophobicContact CD1-CG 3.45Å; F161-P234 VanDerWaalsContact CD1-CG 3.45Å; F161-P234 HydrophobicContact CE1-CG 4.06Å; F161-P234 HydrophobicContact CG-CG 4.27Å; F161-I273 HydrophobicContact CZ-CG2 4.24Å; F161-I277 HydrophobicContact CE1-CD1 4.37Å; F161-I277 HydrophobicContact CE2-CD1 4.16Å; F161-I277 HydrophobicContact CZ-CD1 3.53Å |
| 162 | R | 91.1 | Very high | 84 | Confident | 65 Ų | 65 | 42 Ų | 42 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.1 | -69 | 164.3 | -175.5 | 141.5 | 3.2 | 112.1 | G158 D159 L165 R166 L194 P234 | G158-R162 VanDerWaalsContact O-CG 3.24Å; G158-R162 WeakPolarHBondContact O-CG 3.46Å; G158-R162 PolarHBondContact O-N 3.42Å; D159-R162 PolarHBondContact O-N 2.66Å; D159-R162 IonicContact OD1-CZ 2.7Å; D159-R162 IonicContact OD1-NH1 2.69Å; D159-R162 PolarHBondContact OD1-NH1 3.39Å; R162-L165 PolarHBondContact O-N 2.74Å; R162-R166 WeakPolarHBondContact O-CB 3.5Å; R162-R166 PolarHBondContact O-N 3.23Å; R162-L194 HydrophobicContact CB-CD1 3.65Å; R162-P234 HydrophobicContact CG-CB 3.95Å; R162-P234 HydrophobicContact CG-CG 3.98Å |
| 163 | T | 91.3 | Very high | 85.4 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 10% | 0.104 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 180 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | D159 R160 R166 T167 N195 I197 | D159-T163 VanDerWaalsContact O-CB 3.31Å; D159-T163 WeakPolarHBondContact O-CB 3.49Å; D159-T163 PolarHBondContact O-N 2.94Å; D159-T163 PolarHBondContact O-OG1 3.36Å; R160-T163 PolarHBondContact O-N 3.39Å; T163-R166 PolarHBondContact O-N 3.14Å; T163-T167 PolarHBondContact O-N 2.81Å; T163-T167 PolarHBondContact O-OG1 3.05Å; T163-N195 VanDerWaalsContact CG2-O 3.23Å; T163-N195 WeakPolarHBondContact CG2-O 3.46Å; T163-I197 HydrophobicContact CG2-CD1 4.18Å; T163-I197 HydrophobicContact CG2-CG1 3.54Å |
| 164 | L | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -51.7 | 170.2 | -78.8 | 166.6 | 0 | 0 | 0 | 111.3 | Y143 R160 R166 T167 S168 I197 V215 C218 L219 M222 | Y143-L164 HydrophobicContact CD1-CD1 4.46Å; Y143-L164 HydrophobicContact CD1-CD2 4.37Å; Y143-L164 HydrophobicContact CE1-CD1 4.1Å; Y143-L164 HydrophobicContact CE1-CD2 4.09Å; Y143-L164 HydrophobicContact CE1-CG 4.26Å; R160-L164 WeakPolarHBondContact O-CB 3.41Å; R160-L164 WeakPolarHBondContact O-CG 3.19Å; R160-L164 PolarHBondContact O-N 2.73Å; L164-R166 PolarHBondContact O-N 3.49Å; L164-T167 WeakPolarHBondContact O-CB 3.36Å; L164-T167 PolarHBondContact O-N 3.13Å; L164-S168 PolarHBondContact O-N 3.05Å; L164-S168 PolarHBondContact O-OG 3.46Å; L164-I197 HydrophobicContact CD2-CD1 3.53Å; L164-I197 HydrophobicContact CG-CD1 3.75Å; L164-V215 HydrophobicContact CB-CG1 4.05Å; L164-V215 HydrophobicContact CD2-CB 4.18Å; L164-V215 HydrophobicContact CD2-CG1 3.79Å; L164-V215 HydrophobicContact CD2-CG2 4.02Å; L164-V215 WeakPolarHBondContact O-CG1 3.21Å; L164-C218 HydrophobicContact CD1-CB 3.84Å; L164-C218 HydrophobicContact CD2-CB 3.82Å; L164-L219 HydrophobicContact CB-CD1 4.14Å; L164-L219 HydrophobicContact CB-CD2 3.61Å; L164-L219 HydrophobicContact CB-CG 3.84Å; L164-L219 HydrophobicContact CD1-CD2 3.87Å; L164-L219 HydrophobicContact CD1-CG 4.15Å; L164-L219 HydrophobicContact CG-CD2 4.4Å; L164-M222 HydrophobicContact CD1-SD 3.42Å; L164-M222 WeakPolarHBondContact CD1-SD 3.36Å |
| 165 | L | 92.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.1 | -36.4 | 175.3 | -80.3 | 178.4 | 0 | 0 | 0 | 112.9 | F161 R162 S168 H169 F191 L219 L238 C241 | F161-L165 HydrophobicContact CD1-CD1 3.85Å; F161-L165 HydrophobicContact CD1-CG 4.16Å; F161-L165 HydrophobicContact CE1-CD1 3.68Å; F161-L165 HydrophobicContact CE1-CG 4.02Å; F161-L165 PolarHBondContact O-N 3.25Å; R162-L165 PolarHBondContact O-N 2.74Å; L165-S168 PolarHBondContact O-OG 2.7Å; L165-S168 VanDerWaalsContact O-OG 3.14Å; L165-H169 VanDerWaalsContact O-CB 3.27Å; L165-H169 WeakPolarHBondContact O-CB 3.39Å; L165-H169 PolarHBondContact O-N 2.69Å; L165-F191 HydrophobicContact CB-CE2 3.87Å; L165-F191 HydrophobicContact CB-CZ 3.99Å; L165-L219 HydrophobicContact CD2-CD1 3.74Å; L165-L219 HydrophobicContact CG-CD1 4.06Å; L165-L219 HydrophobicContact CG-CD2 4.42Å; L165-L238 HydrophobicContact CD1-CB 4.15Å; L165-L238 HydrophobicContact CD1-CD1 4.39Å; L165-L238 HydrophobicContact CD2-CD1 3.82Å; L165-C241 HydrophobicContact CD2-CB 4.41Å |
| 166 | R | 91.6 | Very high | 87.4 | Confident | 32 Ų | 32 | 20.2 Ų | 20.2 | 12% | 0.121 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.1 | -35 | 177.5 | 179.1 | 63.2 | -178.4 | 76.8 | 13.2 | 112.4 | R162 T163 L164 E170 F191 L192 L194 | R162-R166 WeakPolarHBondContact O-CB 3.5Å; R162-R166 PolarHBondContact O-N 3.23Å; T163-R166 PolarHBondContact O-N 3.14Å; L164-R166 PolarHBondContact O-N 3.49Å; R166-E170 IonicContact CZ-OE2 2.63Å; R166-E170 IonicContact NH1-OE2 2.69Å; R166-E170 PolarHBondContact NH1-OE2 3Å; R166-E170 IonicContact NH2-OE2 3.94Å; R166-E170 PolarHBondContact NH2-OE2 3.25Å; R166-E170 PolarHBondContact O-N 3.36Å; R166-F191 HydrophobicContact CB-CE1 4.41Å; R166-F191 HydrophobicContact CB-CE2 4.08Å; R166-F191 HydrophobicContact CB-CZ 3.92Å; R166-F191 VanDerWaalsContact CD-O 3.27Å; R166-F191 WeakPolarHBondContact CD-O 3.49Å; R166-L192 PolarHBondContact NE-O 2.9Å; R166-L192 PolarHBondContact NH2-O 3.28Å; R166-L192 VanDerWaalsContact NH2-O 3.15Å; R166-L194 HydrophobicContact CB-CB 4.28Å; R166-L194 HydrophobicContact CG-CB 3.98Å; R166-L194 WeakPolarHBondContact CG-O 3.45Å; R166-L194 PolarHBondContact NE-O 3.47Å |
| 167 | T | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.6 | -46.1 | 176.5 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | T163 L164 E170 A171 S196 I197 I200 V211 V215 | T163-T167 PolarHBondContact O-N 2.81Å; T163-T167 PolarHBondContact O-OG1 3.05Å; L164-T167 WeakPolarHBondContact O-CB 3.36Å; L164-T167 PolarHBondContact O-N 3.13Å; T167-E170 PolarHBondContact O-N 2.86Å; T167-A171 PolarHBondContact O-N 3.29Å; T167-S196 WeakPolarHBondContact CG2-OG 3.46Å; T167-S196 PolarHBondContact OG1-OG 3.09Å; T167-I197 PolarHBondContact OG1-N 3.46Å; T167-I200 HydrophobicContact CG2-CD1 4.21Å; T167-I200 HydrophobicContact CG2-CG1 4.45Å; T167-V211 HydrophobicContact CG2-CG1 4.13Å; T167-V215 HydrophobicContact CG2-CG2 3.81Å |
| 168 | S | 92.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 176.3 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | L164 L165 A171 V172 | L164-S168 PolarHBondContact O-N 3.05Å; L164-S168 PolarHBondContact O-OG 3.46Å; L165-S168 PolarHBondContact O-OG 2.7Å; L165-S168 VanDerWaalsContact O-OG 3.14Å; S168-A171 PolarHBondContact O-N 2.86Å; S168-V172 PolarHBondContact O-N 3.44Å |
| 169 | H | 90.1 | Very high | 83.7 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -46.3 | 170.5 | 178.3 | -82.2 | 0 | 0 | 0 | 112.2 | L165 C173 L187 F191 | L165-H169 VanDerWaalsContact O-CB 3.27Å; L165-H169 WeakPolarHBondContact O-CB 3.39Å; L165-H169 PolarHBondContact O-N 2.69Å; H169-C173 VanDerWaalsContact CE1-SG 3.53Å; H169-C173 WeakPolarHBondContact O-CB 3.44Å; H169-C173 PolarHBondContact O-N 3.47Å; H169-C173 PolarHBondContact O-SG 2.82Å; H169-L187 VanDerWaalsContact CD2-CD1 3.4Å; H169-L187 WeakPolarHBondContact CD2-CD1 3.35Å; H169-L187 WeakPolarHBondContact NE2-CD1 3.36Å; H169-F191 HydrophobicContact CB-CE1 4.48Å |
| 170 | E | 88.2 | Confident | 81.8 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | -179.9 | -160.1 | 158 | 108.5 | 0 | 0 | 112.7 | R166 T167 S174 I200 | R166-E170 IonicContact CZ-OE2 2.63Å; R166-E170 IonicContact NH1-OE2 2.69Å; R166-E170 PolarHBondContact NH1-OE2 3Å; R166-E170 IonicContact NH2-OE2 3.94Å; R166-E170 PolarHBondContact NH2-OE2 3.25Å; R166-E170 PolarHBondContact O-N 3.36Å; T167-E170 PolarHBondContact O-N 2.86Å; E170-S174 WeakPolarHBondContact O-CB 3.25Å; E170-S174 PolarHBondContact O-N 3.35Å; E170-S174 PolarHBondContact O-OG 2.85Å; E170-I200 HydrophobicContact CB-CB 4.39Å; E170-I200 HydrophobicContact CB-CG1 4.17Å; E170-I200 HydrophobicContact CB-CG2 4.45Å; E170-I200 HydrophobicContact CG-CB 4.02Å; E170-I200 HydrophobicContact CG-CG1 4.32Å; E170-I200 HydrophobicContact CG-CG2 4.12Å |
| 171 | A | 89.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.8 | -56 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T167 S168 C173 S174 I175 I200 M208 C212 | T167-A171 PolarHBondContact O-N 3.29Å; S168-A171 PolarHBondContact O-N 2.86Å; A171-C173 PolarHBondContact O-N 3.36Å; A171-S174 PolarHBondContact O-N 2.94Å; A171-I175 VanDerWaalsContact O-CD1 3.25Å; A171-I175 WeakPolarHBondContact O-CD1 3.3Å; A171-I175 WeakPolarHBondContact O-CG1 3.41Å; A171-I175 PolarHBondContact O-N 3.04Å; A171-I200 HydrophobicContact CB-CD1 4.34Å; A171-I200 HydrophobicContact CB-CG2 4.39Å; A171-M208 HydrophobicContact CB-CB 4.39Å; A171-C212 HydrophobicContact CB-CB 3.82Å |
| 172 | V | 86.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.5 | -34.8 | -175.8 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | S168 N176 C212 L245 V248 I249 V266 | S168-V172 PolarHBondContact O-N 3.44Å; V172-N176 WeakPolarHBondContact O-CB 3.45Å; V172-N176 PolarHBondContact O-N 2.92Å; V172-N176 PolarHBondContact O-ND2 3.36Å; V172-C212 VanDerWaalsContact CG2-SG 3.56Å; V172-L245 HydrophobicContact CB-CD1 4.47Å; V172-L245 HydrophobicContact CB-CD2 3.72Å; V172-L245 HydrophobicContact CG1-CD2 3.8Å; V172-L245 HydrophobicContact CG2-CD1 4.35Å; V172-L245 HydrophobicContact CG2-CD2 4.46Å; V172-V248 HydrophobicContact CG1-CG1 3.91Å; V172-I249 HydrophobicContact CG1-CD1 4.35Å; V172-I249 HydrophobicContact CG1-CG1 4.04Å; V172-V266 HydrophobicContact CG2-CG1 4.03Å |
| 173 | C | 83.8 | Confident | 75.8 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 8% | 0.081 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 174.4 | -65.7 | 0 | 0 | 0 | 0 | 112 | H169 A171 N176 G177 F178 | H169-C173 VanDerWaalsContact CE1-SG 3.53Å; H169-C173 WeakPolarHBondContact O-CB 3.44Å; H169-C173 PolarHBondContact O-N 3.47Å; H169-C173 PolarHBondContact O-SG 2.82Å; A171-C173 PolarHBondContact O-N 3.36Å; C173-N176 PolarHBondContact O-N 2.99Å; C173-G177 PolarHBondContact O-N 3.3Å; C173-F178 PolarHBondContact O-N 2.68Å |
| 174 | S | 84.7 | Confident | 73.9 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65 | -48.3 | 179.6 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | E170 A171 N176 G177 | E170-S174 WeakPolarHBondContact O-CB 3.25Å; E170-S174 PolarHBondContact O-N 3.35Å; E170-S174 PolarHBondContact O-OG 2.85Å; A171-S174 PolarHBondContact O-N 2.94Å; S174-N176 PolarHBondContact O-N 3.38Å; S174-G177 PolarHBondContact O-N 3.3Å |
| 175 | I | 79.9 | Confident | 72 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.8 | -41.8 | 177.6 | -67.1 | 154.6 | 0 | 0 | 0 | 111.5 | A171 P205 M208 L209 | A171-I175 VanDerWaalsContact O-CD1 3.25Å; A171-I175 WeakPolarHBondContact O-CD1 3.3Å; A171-I175 WeakPolarHBondContact O-CG1 3.41Å; A171-I175 PolarHBondContact O-N 3.04Å; I175-P205 HydrophobicContact CG1-CB 4.48Å; I175-M208 HydrophobicContact CD1-CB 3.77Å; I175-M208 HydrophobicContact CG1-CB 3.71Å; I175-M208 HydrophobicContact CG1-CG 4.39Å; I175-M208 HydrophobicContact CG1-SD 3.82Å; I175-L209 HydrophobicContact CD1-CB 4.48Å; I175-L209 HydrophobicContact CD1-CD2 3.65Å; I175-L209 HydrophobicContact CD1-CG 3.59Å; I175-L209 HydrophobicContact CG1-CG 4.49Å |
| 176 | N | 69.5 | Low | 70.5 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 4.6 | -172.8 | -67.1 | -62.3 | 0 | 0 | 0 | 113.8 | V172 C173 S174 F178 V248 K252 | V172-N176 WeakPolarHBondContact O-CB 3.45Å; V172-N176 PolarHBondContact O-N 2.92Å; V172-N176 PolarHBondContact O-ND2 3.36Å; C173-N176 PolarHBondContact O-N 2.99Å; S174-N176 PolarHBondContact O-N 3.38Å; N176-F178 HydrophobicContact CB-CD2 3.54Å; N176-F178 HydrophobicContact CB-CE2 3.94Å; N176-F178 PolarHBondContact O-N 2.84Å; N176-F178 VanDerWaalsContact O-N 3.17Å; N176-V248 HydrophobicContact CB-CG1 4.06Å; N176-K252 WeakPolarHBondContact OD1-CG 3.19Å |
| 177 | G | 64.1 | Low | 69.6 | Low | 60 Ų | 60 | 60.5 Ų | 60.5 | 62% | 0.619 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 7.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | C173 S174 R179 | C173-G177 PolarHBondContact O-N 3.3Å; S174-G177 PolarHBondContact O-N 3.3Å; G177-R179 PolarHBondContact O-N 3.27Å |
| 178 | F | 57.7 | Low | 68.7 | Low | 92 Ų | 92 | 65.7 Ų | 65.7 | 40% | 0.404 | 33% | 0.332 | S | S | . | . | trans | -75.7 | 84.8 | -178.6 | -75.7 | -64.1 | 0 | 0 | 0 | 111 | C173 N176 H180 V181 V248 | C173-F178 PolarHBondContact O-N 2.68Å; N176-F178 HydrophobicContact CB-CD2 3.54Å; N176-F178 HydrophobicContact CB-CE2 3.94Å; N176-F178 PolarHBondContact O-N 2.84Å; N176-F178 VanDerWaalsContact O-N 3.17Å; F178-H180 VanDerWaalsContact C-N 3.29Å; F178-H180 PolarHBondContact O-N 2.85Å; F178-V181 HydrophobicContact CB-CG2 4.06Å; F178-V248 HydrophobicContact CD2-CB 4.37Å; F178-V248 HydrophobicContact CD2-CG1 3.68Å; F178-V248 HydrophobicContact CD2-CG2 3.85Å; F178-V248 HydrophobicContact CE2-CB 4.35Å; F178-V248 HydrophobicContact CE2-CG1 3.84Å; F178-V248 HydrophobicContact CE2-CG2 4.02Å; F178-V248 HydrophobicContact CG-CG2 4.48Å | ||
| 179 | R | 51.2 | Low | 67.5 | Low | 237 Ų | 237 | 70.4 Ų | 70.4 | 89% | 0.894 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -64 | 91.7 | 161.9 | -72.8 | -169.4 | 177.3 | -156.3 | -0.1 | 109.4 | G177 | G177-R179 PolarHBondContact O-N 3.27Š|
| 180 | H | 48 | Very low | 66.8 | Low | 154 Ų | 154 | 73.2 Ų | 73.2 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 64.5 | 102 | -172.9 | -51 | -75.9 | 0 | 0 | 0 | 112.8 | F178 D182 | F178-H180 VanDerWaalsContact C-N 3.29Å; F178-H180 PolarHBondContact O-N 2.85Å; H180-D182 PolarHBondContact O-N 3.29Å |
| 181 | V | 46.8 | Very low | 66.4 | Low | 19 Ų | 19 | 71.8 Ų | 71.8 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | trans | -53.9 | 127.6 | 166.7 | 177 | 0 | 0 | 0 | 0 | 109.1 | F178 C185 C244 V248 | F178-V181 HydrophobicContact CB-CG2 4.06Å; V181-C185 WeakPolarHBondContact O-CB 3.26Å; V181-C244 HydrophobicContact CG1-CB 4.41Å; V181-C244 VanDerWaalsContact CG2-SG 3.59Å; V181-V248 HydrophobicContact CB-CG2 4.46Å; V181-V248 HydrophobicContact CG1-CG2 3.99Å; V181-V248 HydrophobicContact CG2-CG2 3.61Å | ||
| 182 | D | 48 | Very low | 65.6 | Low | 85 Ų | 85 | 74.4 Ų | 74.4 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | trans | 33.6 | 136.3 | 166.6 | -163.7 | 8 | 0 | 0 | 0 | 118.5 | H180 N184 C185 | H180-D182 PolarHBondContact O-N 3.29Å; D182-N184 VanDerWaalsContact CG-ND2 3.26Å; D182-N184 PolarHBondContact O-N 3.36Å; D182-N184 PolarHBondContact OD1-N 3.47Å; D182-N184 PolarHBondContact OD1-ND2 3.13Å; D182-N184 WeakPolarHBondContact OD2-CB 3.36Å; D182-N184 PolarHBondContact OD2-ND2 3.34Å; D182-C185 VanDerWaalsContact O-CB 3.26Å; D182-C185 WeakPolarHBondContact O-CB 3.34Å; D182-C185 PolarHBondContact O-N 2.91Å | ||
| 183 | K | 49.9 | Very low | 65.1 | Low | 212 Ų | 212 | 78.7 Ų | 78.7 | 92% | 0.922 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.9 | 172.8 | -69.3 | -176.2 | 179 | 179 | 0 | 113.3 | ||
| 184 | N | 50.7 | Low | 64.8 | Low | 105 Ų | 105 | 80.4 Ų | 80.4 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.4 | 173.7 | -50.1 | -59.6 | 0 | 0 | 0 | 114.2 | D182 T186 | D182-N184 VanDerWaalsContact CG-ND2 3.26Å; D182-N184 PolarHBondContact O-N 3.36Å; D182-N184 PolarHBondContact OD1-N 3.47Å; D182-N184 PolarHBondContact OD1-ND2 3.13Å; D182-N184 WeakPolarHBondContact OD2-CB 3.36Å; D182-N184 PolarHBondContact OD2-ND2 3.34Å; N184-T186 PolarHBondContact O-N 2.66Å |
| 185 | C | 55.9 | Low | 64.7 | Low | 41 Ų | 41 | 84.7 Ų | 84.7 | 28% | 0.277 | 45% | 0.45 | S | S | . | . | trans | -70.8 | 116.3 | -179.4 | -171 | 0 | 0 | 0 | 0 | 110.9 | V181 D182 L187 | V181-C185 WeakPolarHBondContact O-CB 3.26Å; D182-C185 VanDerWaalsContact O-CB 3.26Å; D182-C185 WeakPolarHBondContact O-CB 3.34Å; D182-C185 PolarHBondContact O-N 2.91Å; C185-L187 VanDerWaalsContact C-N 3.28Å; C185-L187 PolarHBondContact O-N 3.07Å | ||
| 186 | T | 60.4 | Low | 64.8 | Low | 81 Ų | 81 | 84.6 Ų | 84.6 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | trans | -88.5 | 14.8 | -170.9 | 46 | 0 | 0 | 0 | 0 | 114 | N184 K188 R291 | N184-T186 PolarHBondContact O-N 2.66Å; T186-K188 PolarHBondContact O-N 3.49Å; T186-R291 PolarHBondContact OG1-NH2 3.31Å | ||
| 187 | L | 72.6 | Confident | 65.7 | Low | 17 Ų | 17 | 85.4 Ų | 85.4 | 9% | 0.089 | 46% | 0.456 | C | S | . | . | trans | -71.2 | 120.4 | 177.1 | -71.5 | 172.3 | 0 | 0 | 0 | 110.3 | H169 C185 F191 A240 | H169-L187 VanDerWaalsContact CD2-CD1 3.4Å; H169-L187 WeakPolarHBondContact CD2-CD1 3.35Å; H169-L187 WeakPolarHBondContact NE2-CD1 3.36Å; C185-L187 VanDerWaalsContact C-N 3.28Å; C185-L187 PolarHBondContact O-N 3.07Å; L187-F191 HydrophobicContact CB-CD1 4.27Å; L187-F191 HydrophobicContact CD1-CD1 4.25Å; L187-F191 HydrophobicContact CD1-CE1 3.97Å; L187-F191 HydrophobicContact CD2-CD1 3.83Å; L187-F191 HydrophobicContact CD2-CE1 3.88Å; L187-F191 HydrophobicContact CD2-CG 4.38Å; L187-F191 HydrophobicContact CD2-CZ 4.47Å; L187-F191 HydrophobicContact CG-CD1 4.35Å; L187-F191 HydrophobicContact CG-CE1 4.44Å; L187-A240 HydrophobicContact CD2-CB 3.57Å; L187-A240 HydrophobicContact CG-CB 4.01Å | ||
| 188 | K | 73.9 | Confident | 66.9 | Low | 110 Ų | 110 | 83.8 Ų | 83.8 | 48% | 0.478 | 43% | 0.434 | S | S | . | . | trans | -60.7 | 146.1 | 179.3 | -61.7 | 167.2 | -173.9 | 156.4 | 0 | 110.6 | T186 S190 F191 L192 E237 | T186-K188 PolarHBondContact O-N 3.49Å; K188-S190 PolarHBondContact O-N 3.31Å; K188-F191 WeakPolarHBondContact O-CB 3.36Å; K188-F191 PolarHBondContact O-N 2.92Å; K188-L192 PolarHBondContact O-N 3.31Å; K188-E237 WeakPolarHBondContact CE-OE1 3.39Å; K188-E237 IonicContact NZ-OE1 3.58Å; K188-E237 PolarHBondContact NZ-OE1 2.86Å | ||
| 189 | S | 66.7 | Low | 68.3 | Low | 98 Ų | 98 | 84.3 Ų | 84.3 | 69% | 0.685 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -52.9 | -36.9 | 171.6 | 50 | 0 | 0 | 0 | 0 | 112.7 | F191 L192 S193 | S189-F191 VanDerWaalsContact C-N 3.25Å; S189-F191 PolarHBondContact O-N 3.39Å; S189-L192 PolarHBondContact O-N 3.38Å; S189-L192 VanDerWaalsContact O-N 3.12Å; S189-S193 PolarHBondContact O-N 3.44Å; S189-S193 PolarHBondContact O-OG 2.64Å |
| 190 | S | 75.6 | Confident | 69.9 | Low | 73 Ų | 73 | 73 Ų | 73 | 51% | 0.51 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64 | -22.6 | 176.5 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | K188 S193 | K188-S190 PolarHBondContact O-N 3.31Å; S190-S193 WeakPolarHBondContact CA-OG 3.37Å; S190-S193 PolarHBondContact O-OG 3.41Å |
| 191 | F | 78.6 | Confident | 71.6 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 2% | 0.022 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -81.6 | -43.8 | 170.5 | 171.1 | -94.2 | 0 | 0 | 0 | 110.1 | L165 R166 H169 L187 K188 S189 S193 L194 E237 | L165-F191 HydrophobicContact CB-CE2 3.87Å; L165-F191 HydrophobicContact CB-CZ 3.99Å; R166-F191 HydrophobicContact CB-CE1 4.41Å; R166-F191 HydrophobicContact CB-CE2 4.08Å; R166-F191 HydrophobicContact CB-CZ 3.92Å; R166-F191 VanDerWaalsContact CD-O 3.27Å; R166-F191 WeakPolarHBondContact CD-O 3.49Å; H169-F191 HydrophobicContact CB-CE1 4.48Å; L187-F191 HydrophobicContact CB-CD1 4.27Å; L187-F191 HydrophobicContact CD1-CD1 4.25Å; L187-F191 HydrophobicContact CD1-CE1 3.97Å; L187-F191 HydrophobicContact CD2-CD1 3.83Å; L187-F191 HydrophobicContact CD2-CE1 3.88Å; L187-F191 HydrophobicContact CD2-CG 4.38Å; L187-F191 HydrophobicContact CD2-CZ 4.47Å; L187-F191 HydrophobicContact CG-CD1 4.35Å; L187-F191 HydrophobicContact CG-CE1 4.44Å; K188-F191 WeakPolarHBondContact O-CB 3.36Å; K188-F191 PolarHBondContact O-N 2.92Å; S189-F191 VanDerWaalsContact C-N 3.25Å; S189-F191 PolarHBondContact O-N 3.39Å; F191-S193 PolarHBondContact O-N 2.87Å; F191-L194 HydrophobicContact CD2-CD1 4.2Å; F191-L194 WeakPolarHBondContact O-CB 3.41Å; F191-L194 PolarHBondContact O-N 2.9Å; F191-E237 HydrophobicContact CD2-CB 4.4Å; F191-E237 HydrophobicContact CD2-CG 4.36Å |
| 192 | L | 74.3 | Confident | 73.4 | Confident | 56 Ų | 56 | 73 Ų | 73 | 29% | 0.293 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.9 | -30.1 | 179.3 | -63.1 | 176.5 | 0 | 0 | 0 | 112.8 | R166 K188 S189 L194 | R166-L192 PolarHBondContact NE-O 2.9Å; R166-L192 PolarHBondContact NH2-O 3.28Å; R166-L192 VanDerWaalsContact NH2-O 3.15Å; K188-L192 PolarHBondContact O-N 3.31Å; S189-L192 PolarHBondContact O-N 3.38Å; S189-L192 VanDerWaalsContact O-N 3.12Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L192-L194 PolarHBondContact O-N 3.1Å |
| 193 | S | 74.8 | Confident | 75.4 | Confident | 89 Ų | 89 | 70.9 Ų | 70.9 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0 | 174.5 | 61.4 | 0 | 0 | 0 | 0 | 115.3 | S189 S190 F191 | S189-S193 PolarHBondContact O-N 3.44Å; S189-S193 PolarHBondContact O-OG 2.64Å; S190-S193 WeakPolarHBondContact CA-OG 3.37Å; S190-S193 PolarHBondContact O-OG 3.41Å; F191-S193 PolarHBondContact O-N 2.87Å |
| 194 | L | 78.4 | Confident | 77.3 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -73.3 | 138 | 169.7 | -64.8 | 172.2 | 0 | 0 | 0 | 109.7 | R162 R166 F191 L192 | R162-L194 HydrophobicContact CB-CD1 3.65Å; R166-L194 HydrophobicContact CB-CB 4.28Å; R166-L194 HydrophobicContact CG-CB 3.98Å; R166-L194 WeakPolarHBondContact CG-O 3.45Å; R166-L194 PolarHBondContact NE-O 3.47Å; F191-L194 HydrophobicContact CD2-CD1 4.2Å; F191-L194 WeakPolarHBondContact O-CB 3.41Å; F191-L194 PolarHBondContact O-N 2.9Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L192-L194 PolarHBondContact O-N 3.1Å |
| 195 | N | 81.5 | Confident | 79 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 76% | 0.759 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 144.2 | 174.2 | -68.2 | -18.5 | 0 | 0 | 0 | 110.3 | T163 | T163-N195 VanDerWaalsContact CG2-O 3.23Å; T163-N195 WeakPolarHBondContact CG2-O 3.46Å |
| 196 | S | 83.5 | Confident | 80.5 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 149.9 | 168.1 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | T167 V198 | T167-S196 WeakPolarHBondContact CG2-OG 3.46Å; T167-S196 PolarHBondContact OG1-OG 3.09Å; S196-V198 VanDerWaalsContact C-N 3.27Å; S196-V198 WeakPolarHBondContact CB-O 3.22Å; S196-V198 PolarHBondContact OG-N 2.85Å; S196-V198 PolarHBondContact OG-O 3.1Å |
| 197 | I | 87.7 | Confident | 82 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -71.7 | -28.4 | 176.9 | -55.7 | 174.6 | 0 | 0 | 0 | 111 | V125 Y143 T163 L164 T167 | V125-I197 HydrophobicContact CB-CG2 4.5Å; V125-I197 HydrophobicContact CG1-CG2 3.99Å; V125-I197 HydrophobicContact CG2-CG2 3.6Å; Y143-I197 HydrophobicContact CE1-CD1 4.32Å; T163-I197 HydrophobicContact CG2-CD1 4.18Å; T163-I197 HydrophobicContact CG2-CG1 3.54Å; L164-I197 HydrophobicContact CD2-CD1 3.53Å; L164-I197 HydrophobicContact CG-CD1 3.75Å; T167-I197 PolarHBondContact OG1-N 3.46Å |
| 198 | V | 88.3 | Confident | 82.9 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -122 | 139.2 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | V125 F128 S196 I200 L203 V211 | V125-V198 HydrophobicContact CG1-CG2 3.65Å; F128-V198 HydrophobicContact CD2-CG2 4.44Å; S196-V198 VanDerWaalsContact C-N 3.27Å; S196-V198 WeakPolarHBondContact CB-O 3.22Å; S196-V198 PolarHBondContact OG-N 2.85Å; S196-V198 PolarHBondContact OG-O 3.1Å; V198-I200 HydrophobicContact CB-CD1 4.18Å; V198-I200 HydrophobicContact CG1-CD1 4.35Å; V198-I200 PolarHBondContact O-N 3.45Å; V198-L203 HydrophobicContact CG1-CD1 3.89Å; V198-V211 HydrophobicContact CB-CG1 4.14Å; V198-V211 HydrophobicContact CG1-CG2 4.39Å; V198-V211 HydrophobicContact CG2-CG1 3.94Å |
| 199 | D | 87.8 | Confident | 83.7 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | trans | -65.9 | 94.6 | 169 | -179.5 | 42.8 | 0 | 0 | 0 | 109.4 | S202 | D199-S202 PolarHBondContact O-OG 2.92Å; D199-S202 WeakPolarHBondContact OD2-CB 3.34Å; D199-S202 PolarHBondContact OD2-OG 3.36Å | ||
| 200 | I | 85.2 | Confident | 85 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -69.5 | -42.9 | -176.2 | -64.3 | -56.4 | 0 | 0 | 0 | 112.4 | T167 E170 A171 V198 S202 L203 M208 V211 | T167-I200 HydrophobicContact CG2-CD1 4.21Å; T167-I200 HydrophobicContact CG2-CG1 4.45Å; E170-I200 HydrophobicContact CB-CB 4.39Å; E170-I200 HydrophobicContact CB-CG1 4.17Å; E170-I200 HydrophobicContact CB-CG2 4.45Å; E170-I200 HydrophobicContact CG-CB 4.02Å; E170-I200 HydrophobicContact CG-CG1 4.32Å; E170-I200 HydrophobicContact CG-CG2 4.12Å; A171-I200 HydrophobicContact CB-CD1 4.34Å; A171-I200 HydrophobicContact CB-CG2 4.39Å; V198-I200 HydrophobicContact CB-CD1 4.18Å; V198-I200 HydrophobicContact CG1-CD1 4.35Å; V198-I200 PolarHBondContact O-N 3.45Å; I200-S202 PolarHBondContact O-N 2.98Å; I200-S202 VanDerWaalsContact O-N 3.1Å; I200-L203 HydrophobicContact CD1-CD1 4.21Å; I200-L203 WeakPolarHBondContact O-CB 3.12Å; I200-L203 PolarHBondContact O-N 3.18Å; I200-M208 HydrophobicContact CG2-CE 4.45Å; I200-M208 HydrophobicContact CG2-CG 4.08Å; I200-M208 HydrophobicContact CG2-SD 3.92Å; I200-M208 WeakPolarHBondContact O-CE 3.45Å; I200-V211 HydrophobicContact CD1-CB 4.31Å; I200-V211 HydrophobicContact CD1-CG1 3.77Å | ||
| 201 | P | 82.3 | Confident | 85.8 | Confident | 89 Ų | 89 | 49.8 Ų | 49.8 | 58% | 0.578 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.8 | -174.2 | -27.2 | 37.2 | 0 | 0 | 0 | 116 | ||
| 202 | S | 86.1 | Confident | 86.6 | Confident | 85 Ų | 85 | 49.5 Ų | 49.5 | 59% | 0.594 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -2 | 176.7 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | D199 I200 | D199-S202 PolarHBondContact O-OG 2.92Å; D199-S202 WeakPolarHBondContact OD2-CB 3.34Å; D199-S202 PolarHBondContact OD2-OG 3.36Å; I200-S202 PolarHBondContact O-N 2.98Å; I200-S202 VanDerWaalsContact O-N 3.1Å |
| 203 | L | 89 | Confident | 87.5 | Confident | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -91.7 | 153.6 | -179.1 | -63.3 | 179.4 | 0 | 0 | 0 | 113.3 | V198 I200 K207 M208 V211 | V198-L203 HydrophobicContact CG1-CD1 3.89Å; I200-L203 HydrophobicContact CD1-CD1 4.21Å; I200-L203 WeakPolarHBondContact O-CB 3.12Å; I200-L203 PolarHBondContact O-N 3.18Å; L203-K207 HydrophobicContact CB-CB 4.17Å; L203-K207 HydrophobicContact CD2-CB 4.33Å; L203-M208 HydrophobicContact CB-CG 3.84Å; L203-M208 WeakPolarHBondContact O-CE 3.41Å; L203-V211 HydrophobicContact CD1-CG2 3.9Å |
| 204 | E | 89.2 | Confident | 88.5 | Confident | 104 Ų | 104 | 43.8 Ų | 43.8 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | trans | -72.7 | 151.1 | 166.6 | -64.1 | 159.6 | 134.1 | 0 | 0 | 110.7 | S206 K207 M208 | E204-S206 VanDerWaalsContact C-N 3.27Å; E204-S206 PolarHBondContact O-N 3.42Å; E204-S206 VanDerWaalsContact O-N 3.11Å; E204-K207 HydrophobicContact CB-CD 4.49Å; E204-K207 CarbonylContact O-C 3.46Å; E204-K207 WeakPolarHBondContact O-CA 3.46Å; E204-K207 WeakPolarHBondContact O-CB 3.43Å; E204-K207 PolarHBondContact O-N 3.35Å; E204-K207 WeakPolarHBondContact OE2-CD 3.33Å; E204-K207 WeakPolarHBondContact OE2-CE 3.35Å; E204-K207 IonicContact OE2-NZ 2.63Å; E204-K207 PolarHBondContact OE2-NZ 3.05Å; E204-M208 PolarHBondContact O-N 2.93Å | ||
| 205 | P | 86.8 | Confident | 89.4 | Confident | 57 Ų | 57 | 41.5 Ų | 41.5 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.8 | -35.4 | -175.8 | -29.2 | 36 | 0 | 0 | 0 | 115.1 | I175 M208 L209 F259 | I175-P205 HydrophobicContact CG1-CB 4.48Å; P205-M208 WeakPolarHBondContact O-CB 3.26Å; P205-M208 PolarHBondContact O-N 2.87Å; P205-L209 WeakPolarHBondContact O-CG 3.33Å; P205-L209 PolarHBondContact O-N 3.43Å; P205-F259 HydrophobicContact CB-CE2 4.02Å; P205-F259 HydrophobicContact CB-CZ 3.94Å |
| 206 | S | 87.9 | Confident | 90 | Very high | 41 Ų | 41 | 34.7 Ų | 34.7 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | E204 N210 | E204-S206 VanDerWaalsContact C-N 3.27Å; E204-S206 PolarHBondContact O-N 3.42Å; E204-S206 VanDerWaalsContact O-N 3.11Å; S206-N210 VanDerWaalsContact O-CG 3.27Å; S206-N210 PolarHBondContact O-N 3.09Å |
| 207 | K | 91.4 | Very high | 90.6 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73 | -37.4 | 173.8 | -70.1 | 171.1 | -179.1 | 157.9 | 0 | 111.3 | L203 E204 N210 V211 | L203-K207 HydrophobicContact CB-CB 4.17Å; L203-K207 HydrophobicContact CD2-CB 4.33Å; E204-K207 HydrophobicContact CB-CD 4.49Å; E204-K207 CarbonylContact O-C 3.46Å; E204-K207 WeakPolarHBondContact O-CA 3.46Å; E204-K207 WeakPolarHBondContact O-CB 3.43Å; E204-K207 PolarHBondContact O-N 3.35Å; E204-K207 WeakPolarHBondContact OE2-CD 3.33Å; E204-K207 WeakPolarHBondContact OE2-CE 3.35Å; E204-K207 IonicContact OE2-NZ 2.63Å; E204-K207 PolarHBondContact OE2-NZ 3.05Å; K207-N210 PolarHBondContact O-N 3.27Å; K207-V211 WeakPolarHBondContact O-CG2 3.3Å; K207-V211 PolarHBondContact O-N 3.39Å |
| 208 | M | 91.6 | Very high | 90.9 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 170.5 | -62.1 | -170.5 | -167.8 | 0 | 0 | 111.5 | A171 I175 I200 L203 E204 P205 V211 C212 | A171-M208 HydrophobicContact CB-CB 4.39Å; I175-M208 HydrophobicContact CD1-CB 3.77Å; I175-M208 HydrophobicContact CG1-CB 3.71Å; I175-M208 HydrophobicContact CG1-CG 4.39Å; I175-M208 HydrophobicContact CG1-SD 3.82Å; I200-M208 HydrophobicContact CG2-CE 4.45Å; I200-M208 HydrophobicContact CG2-CG 4.08Å; I200-M208 HydrophobicContact CG2-SD 3.92Å; I200-M208 WeakPolarHBondContact O-CE 3.45Å; L203-M208 HydrophobicContact CB-CG 3.84Å; L203-M208 WeakPolarHBondContact O-CE 3.41Å; E204-M208 PolarHBondContact O-N 2.93Å; P205-M208 WeakPolarHBondContact O-CB 3.26Å; P205-M208 PolarHBondContact O-N 2.87Å; M208-V211 PolarHBondContact O-N 2.93Å; M208-C212 WeakPolarHBondContact O-CB 3.46Å; M208-C212 PolarHBondContact O-N 3.05Å |
| 209 | L | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 175.6 | -75.6 | 163.3 | 0 | 0 | 0 | 111.7 | I175 P205 C212 R213 F259 E262 L263 V266 | I175-L209 HydrophobicContact CD1-CB 4.48Å; I175-L209 HydrophobicContact CD1-CD2 3.65Å; I175-L209 HydrophobicContact CD1-CG 3.59Å; I175-L209 HydrophobicContact CG1-CG 4.49Å; P205-L209 WeakPolarHBondContact O-CG 3.33Å; P205-L209 PolarHBondContact O-N 3.43Å; L209-C212 WeakPolarHBondContact O-CB 3.46Å; L209-C212 PolarHBondContact O-N 3.41Å; L209-R213 WeakPolarHBondContact O-CD 3.12Å; L209-R213 VanDerWaalsContact O-CG 3.3Å; L209-R213 WeakPolarHBondContact O-CG 3.33Å; L209-R213 PolarHBondContact O-N 3.33Å; L209-F259 HydrophobicContact CD1-CB 3.83Å; L209-F259 HydrophobicContact CD1-CD1 3.53Å; L209-F259 HydrophobicContact CD1-CD2 4.48Å; L209-F259 HydrophobicContact CD1-CE1 4.2Å; L209-F259 HydrophobicContact CD1-CG 3.7Å; L209-E262 HydrophobicContact CD1-CB 3.9Å; L209-E262 HydrophobicContact CD1-CG 4.49Å; L209-E262 HydrophobicContact CD2-CB 4.31Å; L209-L263 HydrophobicContact CD2-CD2 3.94Å; L209-L263 HydrophobicContact CD2-CG 4.43Å; L209-V266 HydrophobicContact CD2-CG2 4.34Å |
| 210 | N | 93.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.4 | -75.9 | -8.3 | 0 | 0 | 0 | 112.6 | F128 S129 S130 S206 K207 R213 S214 | F128-N210 CarbonylContact O-C 3.14Å; F128-N210 VanDerWaalsContact O-O 3.04Å; S129-N210 PolarHBondContact O-ND2 2.89Å; S129-N210 VanDerWaalsContact O-ND2 3.09Å; S130-N210 PolarHBondContact O-ND2 3.16Å; S206-N210 VanDerWaalsContact O-CG 3.27Å; S206-N210 PolarHBondContact O-N 3.09Å; K207-N210 PolarHBondContact O-N 3.27Å; N210-R213 PolarHBondContact O-N 2.68Å; N210-R213 PolarHBondContact OD1-NH1 3.22Å; N210-S214 PolarHBondContact O-N 3.39Å; N210-S214 PolarHBondContact O-OG 3.4Å; N210-S214 VanDerWaalsContact O-OG 3.1Å |
| 211 | V | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | F128 T167 V198 I200 L203 K207 M208 R213 S214 V215 | F128-V211 HydrophobicContact CB-CG2 4.11Å; F128-V211 PolarHBondContact O-N 3.33Å; T167-V211 HydrophobicContact CG2-CG1 4.13Å; V198-V211 HydrophobicContact CB-CG1 4.14Å; V198-V211 HydrophobicContact CG1-CG2 4.39Å; V198-V211 HydrophobicContact CG2-CG1 3.94Å; I200-V211 HydrophobicContact CD1-CB 4.31Å; I200-V211 HydrophobicContact CD1-CG1 3.77Å; L203-V211 HydrophobicContact CD1-CG2 3.9Å; K207-V211 WeakPolarHBondContact O-CG2 3.3Å; K207-V211 PolarHBondContact O-N 3.39Å; M208-V211 PolarHBondContact O-N 2.93Å; V211-R213 PolarHBondContact O-N 3.25Å; V211-S214 PolarHBondContact O-N 2.83Å; V211-V215 HydrophobicContact CG1-CG2 4.14Å; V211-V215 VanDerWaalsContact O-CB 3.32Å; V211-V215 WeakPolarHBondContact O-CB 3.44Å; V211-V215 VanDerWaalsContact O-CG2 3.25Å; V211-V215 WeakPolarHBondContact O-CG2 3.42Å; V211-V215 PolarHBondContact O-N 3.18Å |
| 212 | C | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 175.9 | -169.8 | 0 | 0 | 0 | 0 | 112 | A171 V172 M208 L209 S214 V215 L216 V266 | A171-C212 HydrophobicContact CB-CB 3.82Å; V172-C212 VanDerWaalsContact CG2-SG 3.56Å; M208-C212 WeakPolarHBondContact O-CB 3.46Å; M208-C212 PolarHBondContact O-N 3.05Å; L209-C212 WeakPolarHBondContact O-CB 3.46Å; L209-C212 PolarHBondContact O-N 3.41Å; C212-S214 PolarHBondContact O-N 2.96Å; C212-V215 PolarHBondContact O-N 2.86Å; C212-L216 WeakPolarHBondContact O-CB 3.46Å; C212-L216 VanDerWaalsContact O-CG 3.26Å; C212-L216 WeakPolarHBondContact O-CG 3.24Å; C212-L216 PolarHBondContact O-N 3.33Å; C212-V266 HydrophobicContact CB-CG2 4.5Å |
| 213 | R | 94.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 22.4 Ų | 22.4 | 9% | 0.091 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.2 | -51.5 | 174.9 | -70.5 | 150.7 | 146.6 | 147.1 | -2.8 | 111.6 | L209 N210 V211 V215 L216 Y217 E265 V266 L269 | L209-R213 WeakPolarHBondContact O-CD 3.12Å; L209-R213 VanDerWaalsContact O-CG 3.3Å; L209-R213 WeakPolarHBondContact O-CG 3.33Å; L209-R213 PolarHBondContact O-N 3.33Å; N210-R213 PolarHBondContact O-N 2.68Å; N210-R213 PolarHBondContact OD1-NH1 3.22Å; V211-R213 PolarHBondContact O-N 3.25Å; R213-V215 VanDerWaalsContact C-N 3.32Å; R213-V215 PolarHBondContact O-N 3.25Å; R213-L216 PolarHBondContact O-N 3.01Å; R213-Y217 VanDerWaalsContact O-CD2 3.29Å; R213-Y217 WeakPolarHBondContact O-CD2 3.25Å; R213-Y217 PolarHBondContact O-N 3.32Å; R213-E265 IonicContact CZ-OE2 2.79Å; R213-E265 VanDerWaalsContact NE-CD 3.3Å; R213-E265 IonicContact NE-OE1 3.25Å; R213-E265 PolarHBondContact NE-OE1 2.89Å; R213-E265 IonicContact NE-OE2 3.89Å; R213-E265 PolarHBondContact NE-OE2 3.02Å; R213-E265 IonicContact NH2-OE2 2.75Å; R213-E265 PolarHBondContact NH2-OE2 2.94Å; R213-V266 HydrophobicContact CG-CG2 3.99Å; R213-L269 HydrophobicContact CB-CD1 4.24Å; R213-L269 HydrophobicContact CG-CD1 4.39Å |
| 214 | S | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | -179.5 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | F128 R136 A140 N210 V211 C212 Y217 C218 | F128-S214 WeakPolarHBondContact CA-OG 3.48Å; F128-S214 PolarHBondContact O-OG 3.42Å; R136-S214 WeakPolarHBondContact CB-OG 3.21Å; R136-S214 WeakPolarHBondContact CD-OG 3.27Å; R136-S214 WeakPolarHBondContact CG-OG 2.92Å; A140-S214 VanDerWaalsContact CB-O 3.3Å; A140-S214 WeakPolarHBondContact CB-O 3.37Å; N210-S214 PolarHBondContact O-N 3.39Å; N210-S214 PolarHBondContact O-OG 3.4Å; N210-S214 VanDerWaalsContact O-OG 3.1Å; V211-S214 PolarHBondContact O-N 2.83Å; C212-S214 PolarHBondContact O-N 2.96Å; S214-Y217 PolarHBondContact O-N 3.41Å; S214-C218 PolarHBondContact O-N 3.24Å; S214-C218 PolarHBondContact O-SG 3.26Å |
| 215 | V | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 177.8 | 163.5 | 0 | 0 | 0 | 0 | 112.2 | F128 L164 T167 V211 C212 R213 C218 L219 | F128-V215 HydrophobicContact CD2-CG2 4.06Å; F128-V215 HydrophobicContact CE2-CG2 4.05Å; L164-V215 HydrophobicContact CB-CG1 4.05Å; L164-V215 HydrophobicContact CD2-CB 4.18Å; L164-V215 HydrophobicContact CD2-CG1 3.79Å; L164-V215 HydrophobicContact CD2-CG2 4.02Å; L164-V215 WeakPolarHBondContact O-CG1 3.21Å; T167-V215 HydrophobicContact CG2-CG2 3.81Å; V211-V215 HydrophobicContact CG1-CG2 4.14Å; V211-V215 VanDerWaalsContact O-CB 3.32Å; V211-V215 WeakPolarHBondContact O-CB 3.44Å; V211-V215 VanDerWaalsContact O-CG2 3.25Å; V211-V215 WeakPolarHBondContact O-CG2 3.42Å; V211-V215 PolarHBondContact O-N 3.18Å; C212-V215 PolarHBondContact O-N 2.86Å; R213-V215 VanDerWaalsContact C-N 3.32Å; R213-V215 PolarHBondContact O-N 3.25Å; V215-C218 WeakPolarHBondContact O-CB 3.34Å; V215-C218 PolarHBondContact O-N 2.94Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 3.36Å; V215-L219 VanDerWaalsContact O-N 3.14Å |
| 216 | L | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.6 | -40.3 | 174.7 | -65 | 173.1 | 0 | 0 | 0 | 111.3 | C212 R213 C218 L219 V220 V266 L269 L270 I273 | C212-L216 WeakPolarHBondContact O-CB 3.46Å; C212-L216 VanDerWaalsContact O-CG 3.26Å; C212-L216 WeakPolarHBondContact O-CG 3.24Å; C212-L216 PolarHBondContact O-N 3.33Å; R213-L216 PolarHBondContact O-N 3.01Å; L216-C218 VanDerWaalsContact C-N 3.33Å; L216-C218 PolarHBondContact O-N 2.88Å; L216-L219 HydrophobicContact CD2-CD1 4.28Å; L216-L219 WeakPolarHBondContact O-CB 3.46Å; L216-L219 PolarHBondContact O-N 3.01Å; L216-V220 WeakPolarHBondContact O-CG2 3.36Å; L216-V220 PolarHBondContact O-N 2.71Å; L216-V266 HydrophobicContact CD1-CB 4.44Å; L216-V266 HydrophobicContact CD1-CG1 3.78Å; L216-L269 HydrophobicContact CB-CB 3.8Å; L216-L269 HydrophobicContact CB-CD1 4.23Å; L216-L269 HydrophobicContact CD1-CB 4.01Å; L216-L270 HydrophobicContact CD1-CD2 4.39Å; L216-L270 HydrophobicContact CD1-CG 4.11Å; L216-L270 HydrophobicContact CD2-CD2 3.69Å; L216-L270 HydrophobicContact CD2-CG 4.27Å; L216-I273 HydrophobicContact CB-CD1 3.96Å; L216-I273 HydrophobicContact CD2-CD1 3.44Å; L216-I273 VanDerWaalsContact CD2-CD1 3.44Å; L216-I273 HydrophobicContact CG-CD1 4.28Å |
| 217 | Y | 95.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 22.5 Ų | 22.5 | 18% | 0.176 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 169.4 | -84.8 | -61 | 0 | 0 | 0 | 112.1 | R137 R213 S214 L219 V220 E221 L269 | R137-Y217 HydrophobicContact CG-CD2 4.29Å; R137-Y217 HydrophobicContact CG-CE1 4.42Å; R137-Y217 HydrophobicContact CG-CE2 3.93Å; R137-Y217 PolarHBondContact NE-OH 2.92Å; R213-Y217 VanDerWaalsContact O-CD2 3.29Å; R213-Y217 WeakPolarHBondContact O-CD2 3.25Å; R213-Y217 PolarHBondContact O-N 3.32Å; S214-Y217 PolarHBondContact O-N 3.41Å; Y217-L219 VanDerWaalsContact C-N 3.29Å; Y217-L219 PolarHBondContact O-N 3.45Å; Y217-V220 PolarHBondContact O-N 2.94Å; Y217-E221 WeakPolarHBondContact O-CG 3.42Å; Y217-E221 PolarHBondContact O-N 3.47Å; Y217-L269 HydrophobicContact CD1-CD2 3.76Å; Y217-L269 HydrophobicContact CD2-CD1 4.01Å; Y217-L269 HydrophobicContact CD2-CD2 4.31Å; Y217-L269 HydrophobicContact CE1-CD2 3.5Å; Y217-L269 HydrophobicContact CE2-CD1 3.94Å; Y217-L269 HydrophobicContact CE2-CD2 4.1Å; Y217-L269 HydrophobicContact CG-CD1 4.48Å; Y217-L269 HydrophobicContact CG-CD2 4.16Å |
| 218 | C | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 174.6 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | F128 A140 Y143 L164 S214 V215 L216 E221 M222 | F128-C218 VanDerWaalsContact CZ-SG 3.55Å; A140-C218 VanDerWaalsContact CA-SG 3.51Å; Y143-C218 HydrophobicContact CD1-CB 4.32Å; L164-C218 HydrophobicContact CD1-CB 3.84Å; L164-C218 HydrophobicContact CD2-CB 3.82Å; S214-C218 PolarHBondContact O-N 3.24Å; S214-C218 PolarHBondContact O-SG 3.26Å; V215-C218 WeakPolarHBondContact O-CB 3.34Å; V215-C218 PolarHBondContact O-N 2.94Å; L216-C218 VanDerWaalsContact C-N 3.33Å; L216-C218 PolarHBondContact O-N 2.88Å; C218-E221 PolarHBondContact O-N 3.46Å; C218-M222 WeakPolarHBondContact O-CB 3.17Å; C218-M222 VanDerWaalsContact O-CG 3.27Å; C218-M222 WeakPolarHBondContact O-CG 3.36Å; C218-M222 PolarHBondContact O-N 2.69Å |
| 219 | L | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -36.7 | 179.8 | -69.2 | 166.4 | 0 | 0 | 0 | 112.3 | F161 L164 L165 V215 L216 Y217 V223 I273 | F161-L219 HydrophobicContact CB-CD2 4.37Å; F161-L219 HydrophobicContact CD1-CD2 3.82Å; F161-L219 HydrophobicContact CD2-CD2 3.42Å; F161-L219 VanDerWaalsContact CD2-CD2 3.42Å; F161-L219 HydrophobicContact CE1-CD2 3.87Å; F161-L219 HydrophobicContact CE2-CB 4.26Å; F161-L219 HydrophobicContact CE2-CD2 3.45Å; F161-L219 VanDerWaalsContact CE2-CD2 3.45Å; F161-L219 HydrophobicContact CE2-CG 4.47Å; F161-L219 HydrophobicContact CG-CD2 3.6Å; F161-L219 HydrophobicContact CZ-CB 4.48Å; F161-L219 HydrophobicContact CZ-CD2 3.67Å; L164-L219 HydrophobicContact CB-CD1 4.14Å; L164-L219 HydrophobicContact CB-CD2 3.61Å; L164-L219 HydrophobicContact CB-CG 3.84Å; L164-L219 HydrophobicContact CD1-CD2 3.87Å; L164-L219 HydrophobicContact CD1-CG 4.15Å; L164-L219 HydrophobicContact CG-CD2 4.4Å; L165-L219 HydrophobicContact CD2-CD1 3.74Å; L165-L219 HydrophobicContact CG-CD1 4.06Å; L165-L219 HydrophobicContact CG-CD2 4.42Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 3.36Å; V215-L219 VanDerWaalsContact O-N 3.14Å; L216-L219 HydrophobicContact CD2-CD1 4.28Å; L216-L219 WeakPolarHBondContact O-CB 3.46Å; L216-L219 PolarHBondContact O-N 3.01Å; Y217-L219 VanDerWaalsContact C-N 3.29Å; Y217-L219 PolarHBondContact O-N 3.45Å; L219-V223 VanDerWaalsContact O-CG2 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 2.96Å; L219-I273 HydrophobicContact CB-CD1 3.67Å; L219-I273 HydrophobicContact CB-CG1 3.87Å; L219-I273 HydrophobicContact CB-CG2 4.3Å; L219-I273 HydrophobicContact CD1-CD1 3.9Å; L219-I273 HydrophobicContact CG-CD1 4.45Å |
| 220 | V | 94.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -52.1 | 171.8 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L216 Y217 M222 V223 K224 D272 I273 | L216-V220 WeakPolarHBondContact O-CG2 3.36Å; L216-V220 PolarHBondContact O-N 2.71Å; Y217-V220 PolarHBondContact O-N 2.94Å; V220-M222 PolarHBondContact O-N 3.37Å; V220-V223 PolarHBondContact O-N 3.47Å; V220-K224 HydrophobicContact CG1-CD 4Å; V220-K224 VanDerWaalsContact CG1-CE 3.44Å; V220-K224 PolarHBondContact O-N 2.67Å; V220-K224 VanDerWaalsContact O-N 3.11Å; V220-D272 HydrophobicContact CG2-CB 3.93Å; V220-I273 HydrophobicContact CG2-CB 4.38Å; V220-I273 HydrophobicContact CG2-CG1 3.47Å; V220-I273 VanDerWaalsContact CG2-CG1 3.47Å |
| 221 | E | 92.8 | Very high | 89.5 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.8 | -35.2 | -176 | -60.8 | -44.3 | 124.8 | 0 | 0 | 112.4 | C141 A144 Y217 C218 V223 K224 I225 | C141-E221 HydrophobicContact CB-CG 4.49Å; A144-E221 HydrophobicContact CB-CB 3.72Å; Y217-E221 WeakPolarHBondContact O-CG 3.42Å; Y217-E221 PolarHBondContact O-N 3.47Å; C218-E221 PolarHBondContact O-N 3.46Å; E221-V223 VanDerWaalsContact C-N 3.25Å; E221-V223 PolarHBondContact O-N 2.78Å; E221-K224 PolarHBondContact O-N 2.89Å; E221-K224 IonicContact OE1-NZ 2.77Å; E221-K224 PolarHBondContact OE1-NZ 2.77Å; E221-K224 VanDerWaalsContact OE2-CD 3.23Å; E221-K224 WeakPolarHBondContact OE2-CD 3.29Å; E221-K224 IonicContact OE2-NZ 3.47Å; E221-I225 HydrophobicContact CB-CD1 4.3Å; E221-I225 WeakPolarHBondContact O-CB 3.28Å; E221-I225 WeakPolarHBondContact O-CD1 3.4Å; E221-I225 VanDerWaalsContact O-CG1 3.23Å; E221-I225 WeakPolarHBondContact O-CG1 3.25Å; E221-I225 PolarHBondContact O-N 3.47Å |
| 222 | M | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.8 | -38.6 | 171.8 | -81.2 | -179.7 | 65.6 | 0 | 0 | 112.3 | A144 T147 W157 R160 F161 L164 C218 V220 G226 | A144-M222 HydrophobicContact CB-CG 3.8Å; T147-M222 HydrophobicContact CG2-CE 3.73Å; T147-M222 HydrophobicContact CG2-CG 3.97Å; T147-M222 HydrophobicContact CG2-SD 3.67Å; W157-M222 HydrophobicContact CD2-CE 3.59Å; W157-M222 HydrophobicContact CE3-CE 4.08Å; W157-M222 HydrophobicContact CG-CE 3.9Å; W157-M222 HydrophobicContact CH2-CE 4.42Å; W157-M222 HydrophobicContact CZ2-CB 3.95Å; W157-M222 HydrophobicContact CZ2-CE 3.98Å; W157-M222 HydrophobicContact CZ3-CE 4.46Å; R160-M222 HydrophobicContact CB-CE 4.36Å; F161-M222 HydrophobicContact CB-CE 4.13Å; F161-M222 HydrophobicContact CD2-CE 4.16Å; L164-M222 HydrophobicContact CD1-SD 3.42Å; L164-M222 WeakPolarHBondContact CD1-SD 3.36Å; C218-M222 WeakPolarHBondContact O-CB 3.17Å; C218-M222 VanDerWaalsContact O-CG 3.27Å; C218-M222 WeakPolarHBondContact O-CG 3.36Å; C218-M222 PolarHBondContact O-N 2.69Å; V220-M222 PolarHBondContact O-N 3.37Å; M222-G226 WeakPolarHBondContact O-CA 3.04Å; M222-G226 PolarHBondContact O-N 3.4Å |
| 223 | V | 91.6 | Very high | 88.5 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.3 | -34.1 | 179.5 | 175 | 0 | 0 | 0 | 0 | 111.7 | W157 F161 L219 V220 E221 I277 A280 | W157-V223 HydrophobicContact CH2-CG2 4.31Å; F161-V223 HydrophobicContact CE2-CG2 3.83Å; L219-V223 VanDerWaalsContact O-CG2 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 2.96Å; V220-V223 PolarHBondContact O-N 3.47Å; E221-V223 VanDerWaalsContact C-N 3.25Å; E221-V223 PolarHBondContact O-N 2.78Å; V223-I277 HydrophobicContact CB-CG1 4.43Å; V223-I277 HydrophobicContact CG1-CG1 3.9Å; V223-I277 HydrophobicContact CG2-CD1 3.88Å; V223-I277 HydrophobicContact CG2-CG1 3.66Å; V223-A280 HydrophobicContact CG1-CB 4.04Å |
| 224 | K | 89.5 | Confident | 88.2 | Confident | 117 Ų | 117 | 52.2 Ų | 52.2 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.7 | -43.2 | 175.6 | -71.1 | 168 | 174.8 | 173.6 | 0 | 113.2 | V220 E221 G226 | V220-K224 HydrophobicContact CG1-CD 4Å; V220-K224 VanDerWaalsContact CG1-CE 3.44Å; V220-K224 PolarHBondContact O-N 2.67Å; V220-K224 VanDerWaalsContact O-N 3.11Å; E221-K224 PolarHBondContact O-N 2.89Å; E221-K224 IonicContact OE1-NZ 2.77Å; E221-K224 PolarHBondContact OE1-NZ 2.77Å; E221-K224 VanDerWaalsContact OE2-CD 3.23Å; E221-K224 WeakPolarHBondContact OE2-CD 3.29Å; E221-K224 IonicContact OE2-NZ 3.47Å; K224-G226 VanDerWaalsContact C-N 3.31Å |
| 225 | I | 87 | Confident | 87.9 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 30% | 0.297 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 175.1 | -66.5 | 160.6 | 0 | 0 | 0 | 109.7 | A144 L145 E221 | A144-I225 HydrophobicContact CB-CD1 3.81Å; L145-I225 HydrophobicContact CD2-CD1 3.78Å; L145-I225 HydrophobicContact CD2-CG1 4.3Å; L145-I225 HydrophobicContact CD2-CG2 4.3Å; L145-I225 HydrophobicContact CG-CD1 3.88Å; E221-I225 HydrophobicContact CB-CD1 4.3Å; E221-I225 WeakPolarHBondContact O-CB 3.28Å; E221-I225 WeakPolarHBondContact O-CD1 3.4Å; E221-I225 VanDerWaalsContact O-CG1 3.23Å; E221-I225 WeakPolarHBondContact O-CG1 3.25Å; E221-I225 PolarHBondContact O-N 3.47Å |
| 226 | G | 82.8 | Confident | 87.6 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | trans | 76.1 | -150.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W157 M222 K224 | W157-G226 PolarHBondContact NE1-O 3.14Å; M222-G226 WeakPolarHBondContact O-CA 3.04Å; M222-G226 PolarHBondContact O-N 3.4Å; K224-G226 VanDerWaalsContact C-N 3.31Å | ||
| 227 | A | 78.1 | Confident | 87.3 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 37% | 0.372 | 31% | 0.308 | S | S | . | . | trans | -149.6 | 142.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q229 V231 | A227-Q229 PolarHBondContact O-N 3.25Å; A227-V231 HydrophobicContact CB-CG2 3.78Å | ||
| 228 | D | 74.9 | Confident | 87.1 | Confident | 154 Ų | 154 | 55.9 Ų | 55.9 | 82% | 0.824 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -67.6 | 0.1 | 177.6 | -62.2 | -19.4 | 0 | 0 | 0 | 113.8 | ||
| 229 | Q | 75.8 | Confident | 87 | Confident | 163 Ų | 163 | 55.9 Ų | 55.9 | 76% | 0.762 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -138.2 | 158.2 | -174.3 | -62.9 | 177.2 | 38.8 | 0 | 0 | 109.9 | A227 V231 | A227-Q229 PolarHBondContact O-N 3.25Å; Q229-V231 PolarHBondContact O-N 2.95Å |
| 230 | T | 80.5 | Confident | 86.6 | Confident | 147 Ų | 147 | 56.1 Ų | 56.1 | 90% | 0.902 | 30% | 0.302 | S | S | * | . | trans | -67.4 | 119.3 | 173 | 51.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 231 | V | 83.7 | Confident | 86.4 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | trans | -118.3 | 140.8 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | W157 A227 Q229 L233 | W157-V231 HydrophobicContact CB-CG1 4.01Å; W157-V231 HydrophobicContact CB-CG2 4.08Å; W157-V231 HydrophobicContact CD2-CG1 4.02Å; W157-V231 HydrophobicContact CE3-CB 4.45Å; W157-V231 HydrophobicContact CE3-CG1 3.56Å; W157-V231 HydrophobicContact CG-CG1 4.26Å; W157-V231 HydrophobicContact CG-CG2 4.31Å; W157-V231 HydrophobicContact CZ3-CG1 4.35Å; A227-V231 HydrophobicContact CB-CG2 3.78Å; Q229-V231 PolarHBondContact O-N 2.95Å; V231-L233 PolarHBondContact O-N 3.42Å | ||
| 232 | E | 83.1 | Confident | 86.4 | Confident | 154 Ų | 154 | 54 Ų | 54 | 72% | 0.72 | 29% | 0.292 | S | S | * | . | trans | -72.1 | 108 | 168.8 | -66.4 | -170.5 | 163.5 | 0 | 0 | 111.5 | ||||
| 233 | L | 85.3 | Confident | 86.3 | Confident | 55 Ų | 55 | 55 Ų | 55 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | trans | -78.7 | 122.9 | 175.3 | -170.3 | 67.5 | 0 | 0 | 0 | 110.4 | W157 F161 V231 V235 I277 | W157-L233 HydrophobicContact CH2-CD1 3.73Å; W157-L233 HydrophobicContact CZ3-CD1 3.7Å; F161-L233 HydrophobicContact CE2-CD1 4.46Å; F161-L233 HydrophobicContact CZ-CD1 4.45Å; V231-L233 PolarHBondContact O-N 3.42Å; L233-V235 HydrophobicContact CB-CG2 4.12Å; L233-V235 HydrophobicContact CD2-CG2 3.7Å; L233-V235 HydrophobicContact CG-CG2 3.78Å; L233-V235 PolarHBondContact O-N 3.43Å; L233-I277 HydrophobicContact CD1-CD1 3.91Å; L233-I277 HydrophobicContact CD1-CG1 4.41Å; L233-I277 HydrophobicContact CD2-CB 4.41Å; L233-I277 HydrophobicContact CD2-CD1 4.09Å; L233-I277 HydrophobicContact CD2-CG1 4.02Å; L233-I277 HydrophobicContact CD2-CG2 3.7Å; L233-I277 HydrophobicContact CG-CD1 4.34Å | ||
| 234 | P | 88 | Confident | 86.1 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | trans | -79.6 | 63.3 | -176.7 | 34.6 | -38.2 | 0 | 0 | 0 | 112.1 | F161 R162 L236 E237 L238 | F161-P234 HydrophobicContact CB-CG 4.46Å; F161-P234 HydrophobicContact CD1-CG 3.45Å; F161-P234 VanDerWaalsContact CD1-CG 3.45Å; F161-P234 HydrophobicContact CE1-CG 4.06Å; F161-P234 HydrophobicContact CG-CG 4.27Å; R162-P234 HydrophobicContact CG-CB 3.95Å; R162-P234 HydrophobicContact CG-CG 3.98Å; P234-L236 VanDerWaalsContact C-N 3.32Å; P234-L236 PolarHBondContact O-N 3.16Å; P234-E237 HydrophobicContact CB-CB 4.36Å; P234-E237 PolarHBondContact O-N 2.91Å; P234-L238 WeakPolarHBondContact O-CB 3.32Å; P234-L238 PolarHBondContact O-N 3.36Å | ||
| 235 | V | 90 | Very high | 86.1 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -33.8 | -173.2 | 179.1 | 0 | 0 | 0 | 0 | 112.7 | L233 I239 F285 F288 | L233-V235 HydrophobicContact CB-CG2 4.12Å; L233-V235 HydrophobicContact CD2-CG2 3.7Å; L233-V235 HydrophobicContact CG-CG2 3.78Å; L233-V235 PolarHBondContact O-N 3.43Å; V235-I239 HydrophobicContact CG1-CD1 3.69Å; V235-I239 HydrophobicContact CG1-CG1 4.3Å; V235-I239 WeakPolarHBondContact O-CB 3.39Å; V235-I239 VanDerWaalsContact O-CG1 3.28Å; V235-I239 WeakPolarHBondContact O-CG1 3.32Å; V235-I239 PolarHBondContact O-N 3.1Å; V235-F285 HydrophobicContact CG1-CD2 4.13Å; V235-F285 HydrophobicContact CG1-CE2 3.65Å; V235-F285 HydrophobicContact CG1-CZ 4.35Å; V235-F288 HydrophobicContact CB-CD2 4.29Å; V235-F288 HydrophobicContact CB-CE2 4.16Å; V235-F288 HydrophobicContact CB-CZ 4.3Å; V235-F288 HydrophobicContact CG1-CB 4.15Å; V235-F288 HydrophobicContact CG1-CD1 4.1Å; V235-F288 HydrophobicContact CG1-CD2 3.6Å; V235-F288 HydrophobicContact CG1-CE1 4.44Å; V235-F288 HydrophobicContact CG1-CE2 3.98Å; V235-F288 HydrophobicContact CG1-CG 3.66Å; V235-F288 HydrophobicContact CG1-CZ 4.38Å; V235-F288 HydrophobicContact CG2-CE2 4.5Å |
| 236 | L | 88.8 | Confident | 86.2 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 40% | 0.398 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 179.2 | -72.2 | 173.5 | 0 | 0 | 0 | 112.1 | P234 I239 A240 F288 | P234-L236 VanDerWaalsContact C-N 3.32Å; P234-L236 PolarHBondContact O-N 3.16Å; L236-I239 PolarHBondContact O-N 2.99Å; L236-A240 WeakPolarHBondContact O-CB 3.41Å; L236-A240 PolarHBondContact O-N 3.38Å; L236-F288 HydrophobicContact CD2-CD1 3.76Å; L236-F288 HydrophobicContact CD2-CE1 3.7Å; L236-F288 HydrophobicContact CG-CD1 4.31Å; L236-F288 HydrophobicContact CG-CE1 3.83Å |
| 237 | E | 89.2 | Confident | 86.4 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 175.1 | -68 | 67.9 | -154.2 | 0 | 0 | 111 | K188 F191 P234 C241 | K188-E237 WeakPolarHBondContact CE-OE1 3.39Å; K188-E237 IonicContact NZ-OE1 3.58Å; K188-E237 PolarHBondContact NZ-OE1 2.86Å; F191-E237 HydrophobicContact CD2-CB 4.4Å; F191-E237 HydrophobicContact CD2-CG 4.36Å; P234-E237 HydrophobicContact CB-CB 4.36Å; P234-E237 PolarHBondContact O-N 2.91Å; E237-C241 VanDerWaalsContact O-CB 3.25Å; E237-C241 WeakPolarHBondContact O-CB 3.35Å; E237-C241 PolarHBondContact O-N 3.23Å |
| 238 | L | 92.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 171.7 | 174.8 | 68.7 | 0 | 0 | 0 | 112 | L165 P234 A240 C241 F242 I273 I277 | L165-L238 HydrophobicContact CD1-CB 4.15Å; L165-L238 HydrophobicContact CD1-CD1 4.39Å; L165-L238 HydrophobicContact CD2-CD1 3.82Å; P234-L238 WeakPolarHBondContact O-CB 3.32Å; P234-L238 PolarHBondContact O-N 3.36Å; L238-A240 VanDerWaalsContact C-N 3.32Å; L238-A240 PolarHBondContact O-N 3.39Å; L238-C241 PolarHBondContact O-N 3.2Å; L238-F242 WeakPolarHBondContact O-CB 3.43Å; L238-F242 PolarHBondContact O-N 3.17Å; L238-I273 HydrophobicContact CD1-CG2 3.83Å; L238-I277 HydrophobicContact CD2-CB 4.41Å; L238-I277 HydrophobicContact CD2-CD1 3.44Å; L238-I277 VanDerWaalsContact CD2-CD1 3.44Å; L238-I277 HydrophobicContact CD2-CG1 4.48Å; L238-I277 HydrophobicContact CD2-CG2 4.17Å |
| 239 | I | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.9 | -36.3 | -177.7 | -67.8 | 168.7 | 0 | 0 | 0 | 110.9 | V235 L236 F242 E243 F285 F288 R291 I292 | V235-I239 HydrophobicContact CG1-CD1 3.69Å; V235-I239 HydrophobicContact CG1-CG1 4.3Å; V235-I239 WeakPolarHBondContact O-CB 3.39Å; V235-I239 VanDerWaalsContact O-CG1 3.28Å; V235-I239 WeakPolarHBondContact O-CG1 3.32Å; V235-I239 PolarHBondContact O-N 3.1Å; L236-I239 PolarHBondContact O-N 2.99Å; I239-F242 PolarHBondContact O-N 2.84Å; I239-E243 WeakPolarHBondContact O-CB 3.48Å; I239-E243 PolarHBondContact O-N 3.45Å; I239-F285 HydrophobicContact CD1-CE2 4.41Å; I239-F285 HydrophobicContact CD1-CZ 3.88Å; I239-F288 HydrophobicContact CD1-CB 3.64Å; I239-F288 HydrophobicContact CD1-CG 4.34Å; I239-R291 HydrophobicContact CG2-CG 3.91Å; I239-I292 HydrophobicContact CD1-CB 4.44Å; I239-I292 HydrophobicContact CG2-CD1 4.32Å |
| 240 | A | 88.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | L187 L236 L238 C244 | L187-A240 HydrophobicContact CD2-CB 3.57Å; L187-A240 HydrophobicContact CG-CB 4.01Å; L236-A240 WeakPolarHBondContact O-CB 3.41Å; L236-A240 PolarHBondContact O-N 3.38Å; L238-A240 VanDerWaalsContact C-N 3.32Å; L238-A240 PolarHBondContact O-N 3.39Å; A240-C244 WeakPolarHBondContact O-CB 3.45Å; A240-C244 PolarHBondContact O-N 2.81Å |
| 241 | C | 90 | Very high | 87.6 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 174.9 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | L165 E237 L238 C244 L245 | L165-C241 HydrophobicContact CD2-CB 4.41Å; E237-C241 VanDerWaalsContact O-CB 3.25Å; E237-C241 WeakPolarHBondContact O-CB 3.35Å; E237-C241 PolarHBondContact O-N 3.23Å; L238-C241 PolarHBondContact O-N 3.2Å; C241-C244 WeakPolarHBondContact O-CB 3.5Å; C241-C244 PolarHBondContact O-N 3.45Å; C241-L245 WeakPolarHBondContact O-CB 3.4Å; C241-L245 VanDerWaalsContact O-CG 3.31Å; C241-L245 WeakPolarHBondContact O-CG 3Å; C241-L245 PolarHBondContact O-N 3.41Å |
| 242 | F | 92.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 175.4 | 177.4 | -84.6 | 0 | 0 | 0 | 112 | L238 I239 C244 L245 S246 L270 F271 L274 I292 A295 F296 | L238-F242 WeakPolarHBondContact O-CB 3.43Å; L238-F242 PolarHBondContact O-N 3.17Å; I239-F242 PolarHBondContact O-N 2.84Å; F242-C244 VanDerWaalsContact C-N 3.34Å; F242-C244 PolarHBondContact O-N 3.37Å; F242-L245 PolarHBondContact O-N 3.36Å; F242-S246 WeakPolarHBondContact O-CB 3.35Å; F242-S246 PolarHBondContact O-N 2.94Å; F242-S246 PolarHBondContact O-OG 3.34Å; F242-L270 HydrophobicContact CD2-CB 4.07Å; F242-L270 HydrophobicContact CE2-CB 4.24Å; F242-F271 HydrophobicContact CE2-CD1 4.33Å; F242-F271 AromaticContact CE2-CD2 3.99Å; F242-F271 HydrophobicContact CE2-CD2 3.99Å; F242-F271 HydrophobicContact CE2-CE1 4.36Å; F242-F271 HydrophobicContact CE2-CE2 4.03Å; F242-F271 HydrophobicContact CE2-CG 4.16Å; F242-F271 HydrophobicContact CE2-CZ 4.23Å; F242-F271 HydrophobicContact CZ-CD1 4.29Å; F242-F271 HydrophobicContact CZ-CD2 4.18Å; F242-F271 AromaticContact CZ-CE1 3.87Å; F242-F271 HydrophobicContact CZ-CE1 3.87Å; F242-F271 AromaticContact CZ-CE2 3.76Å; F242-F271 HydrophobicContact CZ-CE2 3.76Å; F242-F271 HydrophobicContact CZ-CG 4.45Å; F242-F271 AromaticContact CZ-CZ 3.6Å; F242-F271 HydrophobicContact CZ-CZ 3.6Å; F242-L274 HydrophobicContact CD2-CD2 4.04Å; F242-L274 HydrophobicContact CE1-CD2 4.39Å; F242-L274 HydrophobicContact CE2-CD2 3.84Å; F242-L274 HydrophobicContact CG-CD2 4.4Å; F242-L274 HydrophobicContact CZ-CD2 4.05Å; F242-I292 HydrophobicContact CD1-CD1 3.6Å; F242-I292 HydrophobicContact CE1-CD1 3.85Å; F242-I292 HydrophobicContact CG-CD1 4.26Å; F242-A295 HydrophobicContact CD1-CB 4.47Å; F242-F296 AromaticContact CE1-CD1 3.9Å; F242-F296 HydrophobicContact CE1-CD1 3.9Å; F242-F296 AromaticContact CE1-CE1 3.78Å; F242-F296 HydrophobicContact CE1-CE1 3.78Å; F242-F296 HydrophobicContact CZ-CD1 4.09Å; F242-F296 AromaticContact CZ-CE1 3.66Å; F242-F296 HydrophobicContact CZ-CE1 3.66Å |
| 243 | E | 89.7 | Confident | 87.1 | Confident | 23 Ų | 23 | 20 Ų | 20 | 11% | 0.107 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 178.2 | -173.6 | -173.9 | 170.3 | 0 | 0 | 111.1 | I239 L247 R291 A295 K298 | I239-E243 WeakPolarHBondContact O-CB 3.48Å; I239-E243 PolarHBondContact O-N 3.45Å; E243-L247 HydrophobicContact CG-CD1 4.32Å; E243-L247 WeakPolarHBondContact O-CD1 3.44Å; E243-L247 VanDerWaalsContact O-CG 3.3Å; E243-L247 WeakPolarHBondContact O-CG 3.45Å; E243-R291 IonicContact OE2-NE 3.76Å; E243-R291 IonicContact OE2-NH2 2.72Å; E243-R291 PolarHBondContact OE2-NH2 3.25Å; E243-A295 HydrophobicContact CB-CB 4.07Å; E243-A295 HydrophobicContact CG-CB 4Å; E243-K298 IonicContact OE1-NZ 3.26Å; E243-K298 PolarHBondContact OE1-NZ 3.46Å |
| 244 | C | 86.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 23.4 Ų | 23.4 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.7 | -57.6 | 175 | 169.3 | 0 | 0 | 0 | 0 | 112.3 | V181 A240 C241 F242 V248 | V181-C244 HydrophobicContact CG1-CB 4.41Å; V181-C244 VanDerWaalsContact CG2-SG 3.59Å; A240-C244 WeakPolarHBondContact O-CB 3.45Å; A240-C244 PolarHBondContact O-N 2.81Å; C241-C244 WeakPolarHBondContact O-CB 3.5Å; C241-C244 PolarHBondContact O-N 3.45Å; F242-C244 VanDerWaalsContact C-N 3.34Å; F242-C244 PolarHBondContact O-N 3.37Å; C244-V248 WeakPolarHBondContact O-CG2 3.4Å; C244-V248 PolarHBondContact O-N 3.47Å |
| 245 | L | 89.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.5 | -37.9 | -171.1 | -64.2 | -170.4 | 0 | 0 | 0 | 113.2 | V172 C241 F242 L247 V248 I249 L270 | V172-L245 HydrophobicContact CB-CD1 4.47Å; V172-L245 HydrophobicContact CB-CD2 3.72Å; V172-L245 HydrophobicContact CG1-CD2 3.8Å; V172-L245 HydrophobicContact CG2-CD1 4.35Å; V172-L245 HydrophobicContact CG2-CD2 4.46Å; C241-L245 WeakPolarHBondContact O-CB 3.4Å; C241-L245 VanDerWaalsContact O-CG 3.31Å; C241-L245 WeakPolarHBondContact O-CG 3Å; C241-L245 PolarHBondContact O-N 3.41Å; F242-L245 PolarHBondContact O-N 3.36Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 2.88Å; L245-V248 PolarHBondContact O-N 3.47Å; L245-I249 WeakPolarHBondContact O-CB 3.48Å; L245-I249 WeakPolarHBondContact O-CD1 3.49Å; L245-I249 VanDerWaalsContact O-CG1 3.23Å; L245-I249 WeakPolarHBondContact O-CG1 2.85Å; L245-I249 PolarHBondContact O-N 2.94Å; L245-L270 HydrophobicContact CB-CD1 3.69Å; L245-L270 HydrophobicContact CD1-CD1 4.32Å; L245-L270 HydrophobicContact CD1-CD2 4.24Å |
| 246 | S | 90.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | -179.4 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | F242 A250 L299 | F242-S246 WeakPolarHBondContact O-CB 3.35Å; F242-S246 PolarHBondContact O-N 2.94Å; F242-S246 PolarHBondContact O-OG 3.34Å; S246-A250 VanDerWaalsContact O-CB 3.27Å; S246-A250 WeakPolarHBondContact O-CB 3.04Å; S246-A250 PolarHBondContact O-N 2.63Å; S246-L299 WeakPolarHBondContact O-CD1 3.47Å |
| 247 | L | 86.7 | Confident | 82.8 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.1 | -42.2 | 176.5 | -65.2 | 171.7 | 0 | 0 | 0 | 112.3 | E243 L245 I249 A250 A251 K298 L299 | E243-L247 HydrophobicContact CG-CD1 4.32Å; E243-L247 WeakPolarHBondContact O-CD1 3.44Å; E243-L247 VanDerWaalsContact O-CG 3.3Å; E243-L247 WeakPolarHBondContact O-CG 3.45Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 2.88Å; L247-I249 VanDerWaalsContact C-N 3.31Å; L247-I249 PolarHBondContact O-N 2.86Å; L247-A250 PolarHBondContact O-N 2.93Å; L247-A251 WeakPolarHBondContact O-CB 3.31Å; L247-A251 PolarHBondContact O-N 3.25Å; L247-K298 HydrophobicContact CD1-CD 3.86Å; L247-K298 VanDerWaalsContact CD1-CE 3.46Å; L247-K298 HydrophobicContact CD1-CG 4.09Å; L247-K298 HydrophobicContact CD2-CG 4.21Å; L247-L299 HydrophobicContact CD2-CB 4.41Å; L247-L299 HydrophobicContact CD2-CD1 4.03Å |
| 248 | V | 84.5 | Confident | 82.1 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -44.2 | 174.1 | 162.1 | 0 | 0 | 0 | 0 | 111.2 | V172 N176 F178 V181 C244 L245 | V172-V248 HydrophobicContact CG1-CG1 3.91Å; N176-V248 HydrophobicContact CB-CG1 4.06Å; F178-V248 HydrophobicContact CD2-CB 4.37Å; F178-V248 HydrophobicContact CD2-CG1 3.68Å; F178-V248 HydrophobicContact CD2-CG2 3.85Å; F178-V248 HydrophobicContact CE2-CB 4.35Å; F178-V248 HydrophobicContact CE2-CG1 3.84Å; F178-V248 HydrophobicContact CE2-CG2 4.02Å; F178-V248 HydrophobicContact CG-CG2 4.48Å; V181-V248 HydrophobicContact CB-CG2 4.46Å; V181-V248 HydrophobicContact CG1-CG2 3.99Å; V181-V248 HydrophobicContact CG2-CG2 3.61Å; C244-V248 WeakPolarHBondContact O-CG2 3.4Å; C244-V248 PolarHBondContact O-N 3.47Å; L245-V248 PolarHBondContact O-N 3.47Å |
| 249 | I | 86.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.4 | -47.8 | 177.6 | -68.3 | 162.5 | 0 | 0 | 0 | 110.9 | V172 L245 L247 A251 K252 L253 L263 V266 L267 L270 | V172-I249 HydrophobicContact CG1-CD1 4.35Å; V172-I249 HydrophobicContact CG1-CG1 4.04Å; L245-I249 WeakPolarHBondContact O-CB 3.48Å; L245-I249 WeakPolarHBondContact O-CD1 3.49Å; L245-I249 VanDerWaalsContact O-CG1 3.23Å; L245-I249 WeakPolarHBondContact O-CG1 2.85Å; L245-I249 PolarHBondContact O-N 2.94Å; L247-I249 VanDerWaalsContact C-N 3.31Å; L247-I249 PolarHBondContact O-N 2.86Å; I249-A251 VanDerWaalsContact C-N 3.3Å; I249-A251 PolarHBondContact O-N 2.91Å; I249-K252 CarbonylContact O-C 3.52Å; I249-K252 WeakPolarHBondContact O-CA 3.24Å; I249-K252 WeakPolarHBondContact O-CB 3.31Å; I249-K252 PolarHBondContact O-N 2.7Å; I249-L253 HydrophobicContact CG2-CD1 4.13Å; I249-L253 HydrophobicContact CG2-CG 4.16Å; I249-L253 PolarHBondContact O-N 2.75Å; I249-L253 VanDerWaalsContact O-N 3.08Å; I249-L263 HydrophobicContact CG1-CD2 4.29Å; I249-L263 HydrophobicContact CG2-CB 4.06Å; I249-V266 HydrophobicContact CD1-CB 4.43Å; I249-V266 HydrophobicContact CD1-CG1 3.68Å; I249-L267 HydrophobicContact CD1-CB 4.41Å; I249-L267 HydrophobicContact CG2-CB 4Å; I249-L267 HydrophobicContact CG2-CD2 4.32Å; I249-L270 HydrophobicContact CD1-CD1 3.87Å |
| 250 | A | 82.8 | Confident | 81 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -37.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | S246 L247 K252 L253 L299 V303 | S246-A250 VanDerWaalsContact O-CB 3.27Å; S246-A250 WeakPolarHBondContact O-CB 3.04Å; S246-A250 PolarHBondContact O-N 2.63Å; L247-A250 PolarHBondContact O-N 2.93Å; A250-K252 PolarHBondContact O-N 2.84Å; A250-K252 VanDerWaalsContact O-N 3.17Å; A250-L253 PolarHBondContact O-N 3.34Å; A250-L299 HydrophobicContact CB-CD1 3.65Å; A250-V303 HydrophobicContact CB-CG2 4.46Å |
| 251 | A | 80.2 | Confident | 80.8 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 46% | 0.463 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L247 I249 K254 | L247-A251 WeakPolarHBondContact O-CB 3.31Å; L247-A251 PolarHBondContact O-N 3.25Å; I249-A251 VanDerWaalsContact C-N 3.3Å; I249-A251 PolarHBondContact O-N 2.91Å; A251-K254 WeakPolarHBondContact O-CE 3.06Å |
| 252 | K | 78.9 | Confident | 80.6 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 30% | 0.296 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 0.7 | -176.4 | -87.7 | -70.4 | -157.5 | 177 | 0 | 114.9 | N176 I249 A250 K254 D257 L263 | N176-K252 WeakPolarHBondContact OD1-CG 3.19Å; I249-K252 CarbonylContact O-C 3.52Å; I249-K252 WeakPolarHBondContact O-CA 3.24Å; I249-K252 WeakPolarHBondContact O-CB 3.31Å; I249-K252 PolarHBondContact O-N 2.7Å; A250-K252 PolarHBondContact O-N 2.84Å; A250-K252 VanDerWaalsContact O-N 3.17Å; K252-K254 PolarHBondContact O-N 3.32Å; K252-D257 WeakPolarHBondContact CD-OD2 3.41Å; K252-D257 IonicContact NZ-OD1 3.95Å; K252-D257 PolarHBondContact NZ-OD1 3.44Å; K252-D257 IonicContact NZ-OD2 2.67Å; K252-D257 PolarHBondContact NZ-OD2 3.22Å; K252-D257 WeakPolarHBondContact O-CB 3.49Å; K252-L263 HydrophobicContact CB-CD1 4.15Å |
| 253 | L | 77 | Confident | 80.4 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | trans | -82.1 | 42.1 | 169.4 | -68.7 | 174.1 | 0 | 0 | 0 | 112 | I249 A250 R260 L263 Q264 L267 N310 V314 | I249-L253 HydrophobicContact CG2-CD1 4.13Å; I249-L253 HydrophobicContact CG2-CG 4.16Å; I249-L253 PolarHBondContact O-N 2.75Å; I249-L253 VanDerWaalsContact O-N 3.08Å; A250-L253 PolarHBondContact O-N 3.34Å; L253-R260 HydrophobicContact CD2-CG 4.01Å; L253-R260 WeakPolarHBondContact CD2-O 3.3Å; L253-L263 HydrophobicContact CD2-CB 4.15Å; L253-Q264 HydrophobicContact CD2-CB 4.22Å; L253-L267 HydrophobicContact CD1-CD2 4.22Å; L253-N310 HydrophobicContact CB-CB 4.21Å; L253-N310 PolarHBondContact O-ND2 2.9Å; L253-V314 HydrophobicContact CD1-CG2 3.48Å; L253-V314 VanDerWaalsContact CD1-CG2 3.48Å | ||
| 254 | K | 71 | Confident | 80.3 | Confident | 126 Ų | 126 | 50.6 Ų | 50.6 | 55% | 0.548 | 28% | 0.28 | S | S | . | . | trans | -81 | 160 | 173.3 | -71.5 | -174.6 | -178.1 | -177.2 | 0 | 109.9 | A251 K252 D256 | A251-K254 WeakPolarHBondContact O-CE 3.06Å; K252-K254 PolarHBondContact O-N 3.32Å; K254-D256 PolarHBondContact O-N 3.49Å | ||
| 255 | P | 62.4 | Low | 80.5 | Confident | 87 Ų | 87 | 52.5 Ų | 52.5 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -33.6 | -173.9 | 19.9 | -30.7 | 0 | 0 | 0 | 113.5 | R260 | P255-R260 PolarHBondContact O-NH1 3.45Š|
| 256 | D | 62.7 | Low | 80.6 | Confident | 149 Ų | 149 | 52.5 Ų | 52.5 | 80% | 0.797 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6.8 | -165.7 | -35.9 | -63 | 0 | 0 | 0 | 114.7 | K254 G258 | K254-D256 PolarHBondContact O-N 3.49Å; D256-G258 PolarHBondContact O-N 3.33Å |
| 257 | D | 66.7 | Low | 80.7 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | trans | -77.9 | 111.9 | -179.8 | -92 | -66.3 | 0 | 0 | 0 | 111 | K252 F259 R260 | K252-D257 WeakPolarHBondContact CD-OD2 3.41Å; K252-D257 IonicContact NZ-OD1 3.95Å; K252-D257 PolarHBondContact NZ-OD1 3.44Å; K252-D257 IonicContact NZ-OD2 2.67Å; K252-D257 PolarHBondContact NZ-OD2 3.22Å; K252-D257 WeakPolarHBondContact O-CB 3.49Å; D257-F259 PolarHBondContact O-N 3.18Å; D257-R260 WeakPolarHBondContact O-CB 3.39Å; D257-R260 PolarHBondContact O-N 3.29Å; D257-R260 VanDerWaalsContact O-N 3.09Å | ||
| 258 | G | 73.6 | Confident | 81.1 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 74% | 0.742 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | D256 | D256-G258 PolarHBondContact O-N 3.33Š|
| 259 | F | 79.3 | Confident | 81.6 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 32% | 0.32 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 19.4 | 177.2 | -60.7 | -63.2 | 0 | 0 | 0 | 113.6 | P205 L209 D257 L261 E262 L263 | P205-F259 HydrophobicContact CB-CE2 4.02Å; P205-F259 HydrophobicContact CB-CZ 3.94Å; L209-F259 HydrophobicContact CD1-CB 3.83Å; L209-F259 HydrophobicContact CD1-CD1 3.53Å; L209-F259 HydrophobicContact CD1-CD2 4.48Å; L209-F259 HydrophobicContact CD1-CE1 4.2Å; L209-F259 HydrophobicContact CD1-CG 3.7Å; D257-F259 PolarHBondContact O-N 3.18Å; F259-L261 PolarHBondContact O-N 3.31Å; F259-E262 VanDerWaalsContact CA-OE2 3.3Å; F259-E262 WeakPolarHBondContact CA-OE2 3.34Å; F259-E262 PolarHBondContact O-N 2.73Å; F259-L263 HydrophobicContact CB-CD1 4.31Å; F259-L263 HydrophobicContact CB-CG 4.36Å; F259-L263 WeakPolarHBondContact O-CB 3.27Å; F259-L263 WeakPolarHBondContact O-CG 3.36Å; F259-L263 PolarHBondContact O-N 3.01Å |
| 260 | R | 80.9 | Confident | 82 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.7 | -43.9 | -171 | -172.6 | 177.1 | 77.6 | -145.1 | 4.8 | 114.1 | L253 P255 D257 Q264 | L253-R260 HydrophobicContact CD2-CG 4.01Å; L253-R260 WeakPolarHBondContact CD2-O 3.3Å; P255-R260 PolarHBondContact O-NH1 3.45Å; D257-R260 WeakPolarHBondContact O-CB 3.39Å; D257-R260 PolarHBondContact O-N 3.29Å; D257-R260 VanDerWaalsContact O-N 3.09Å; R260-Q264 WeakPolarHBondContact O-CB 3.45Å; R260-Q264 PolarHBondContact O-N 3.45Å |
| 261 | L | 83.9 | Confident | 82.6 | Confident | 119 Ų | 119 | 52.3 Ų | 52.3 | 62% | 0.623 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -71.3 | -38.1 | -177.6 | -65.9 | 175.1 | 0 | 0 | 0 | 110.9 | F259 Q264 E265 | F259-L261 PolarHBondContact O-N 3.31Å; L261-Q264 PolarHBondContact O-N 3.18Å; L261-E265 PolarHBondContact O-N 2.89Å |
| 262 | E | 86.9 | Confident | 83.3 | Confident | 48 Ų | 48 | 53 Ų | 53 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 179.1 | -55.9 | 98.2 | 128.6 | 0 | 0 | 111.8 | L209 F259 E265 V266 | L209-E262 HydrophobicContact CD1-CB 3.9Å; L209-E262 HydrophobicContact CD1-CG 4.49Å; L209-E262 HydrophobicContact CD2-CB 4.31Å; F259-E262 VanDerWaalsContact CA-OE2 3.3Å; F259-E262 WeakPolarHBondContact CA-OE2 3.34Å; F259-E262 PolarHBondContact O-N 2.73Å; E262-E265 PolarHBondContact O-N 3.37Å; E262-V266 VanDerWaalsContact O-CG2 3.31Å; E262-V266 WeakPolarHBondContact O-CG2 3.31Å; E262-V266 PolarHBondContact O-N 2.84Å |
| 263 | L | 87.9 | Confident | 84 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -37.1 | 172.3 | -70.9 | 171.5 | 0 | 0 | 0 | 111.8 | L209 I249 K252 L253 F259 V266 L267 | L209-L263 HydrophobicContact CD2-CD2 3.94Å; L209-L263 HydrophobicContact CD2-CG 4.43Å; I249-L263 HydrophobicContact CG1-CD2 4.29Å; I249-L263 HydrophobicContact CG2-CB 4.06Å; K252-L263 HydrophobicContact CB-CD1 4.15Å; L253-L263 HydrophobicContact CD2-CB 4.15Å; F259-L263 HydrophobicContact CB-CD1 4.31Å; F259-L263 HydrophobicContact CB-CG 4.36Å; F259-L263 WeakPolarHBondContact O-CB 3.27Å; F259-L263 WeakPolarHBondContact O-CG 3.36Å; F259-L263 PolarHBondContact O-N 3.01Å; L263-V266 PolarHBondContact O-N 3.07Å; L263-L267 WeakPolarHBondContact O-CB 3.45Å; L263-L267 PolarHBondContact O-N 3.3Å |
| 264 | Q | 88 | Confident | 84.8 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 23% | 0.229 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 174.6 | -175.5 | 176.3 | -15.3 | 0 | 0 | 112.5 | L253 R260 L261 L267 T268 | L253-Q264 HydrophobicContact CD2-CB 4.22Å; R260-Q264 WeakPolarHBondContact O-CB 3.45Å; R260-Q264 PolarHBondContact O-N 3.45Å; L261-Q264 PolarHBondContact O-N 3.18Å; Q264-L267 PolarHBondContact O-N 3.22Å; Q264-T268 PolarHBondContact O-N 3.17Å; Q264-T268 PolarHBondContact O-OG1 2.93Å |
| 265 | E | 90.6 | Very high | 85.9 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 171.2 | -171.6 | -172.2 | 160.1 | 0 | 0 | 111.1 | R213 L261 E262 L267 T268 L269 | R213-E265 IonicContact CZ-OE2 2.79Å; R213-E265 VanDerWaalsContact NE-CD 3.3Å; R213-E265 IonicContact NE-OE1 3.25Å; R213-E265 PolarHBondContact NE-OE1 2.89Å; R213-E265 IonicContact NE-OE2 3.89Å; R213-E265 PolarHBondContact NE-OE2 3.02Å; R213-E265 IonicContact NH2-OE2 2.75Å; R213-E265 PolarHBondContact NH2-OE2 2.94Å; L261-E265 PolarHBondContact O-N 2.89Å; E262-E265 PolarHBondContact O-N 3.37Å; E265-L267 VanDerWaalsContact C-N 3.31Å; E265-L267 PolarHBondContact O-N 3.41Å; E265-T268 WeakPolarHBondContact O-CB 3.36Å; E265-T268 PolarHBondContact O-N 2.97Å; E265-T268 VanDerWaalsContact O-N 3.14Å; E265-L269 HydrophobicContact CG-CD1 4.38Å; E265-L269 WeakPolarHBondContact O-CG 3.4Å; E265-L269 PolarHBondContact O-N 2.9Å |
| 266 | V | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | V172 L209 C212 R213 L216 I249 E262 L263 L269 L270 | V172-V266 HydrophobicContact CG2-CG1 4.03Å; L209-V266 HydrophobicContact CD2-CG2 4.34Å; C212-V266 HydrophobicContact CB-CG2 4.5Å; R213-V266 HydrophobicContact CG-CG2 3.99Å; L216-V266 HydrophobicContact CD1-CB 4.44Å; L216-V266 HydrophobicContact CD1-CG1 3.78Å; I249-V266 HydrophobicContact CD1-CB 4.43Å; I249-V266 HydrophobicContact CD1-CG1 3.68Å; E262-V266 VanDerWaalsContact O-CG2 3.31Å; E262-V266 WeakPolarHBondContact O-CG2 3.31Å; E262-V266 PolarHBondContact O-N 2.84Å; L263-V266 PolarHBondContact O-N 3.07Å; V266-L269 PolarHBondContact O-N 3.32Å; V266-L270 WeakPolarHBondContact O-CG 3.4Å; V266-L270 PolarHBondContact O-N 2.93Å; V266-L270 VanDerWaalsContact O-N 3.1Å |
| 267 | L | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 174.9 | -173.9 | 63 | 0 | 0 | 0 | 112.1 | I249 L253 L263 Q264 E265 L269 L270 F271 V314 L317 | I249-L267 HydrophobicContact CD1-CB 4.41Å; I249-L267 HydrophobicContact CG2-CB 4Å; I249-L267 HydrophobicContact CG2-CD2 4.32Å; L253-L267 HydrophobicContact CD1-CD2 4.22Å; L263-L267 WeakPolarHBondContact O-CB 3.45Å; L263-L267 PolarHBondContact O-N 3.3Å; Q264-L267 PolarHBondContact O-N 3.22Å; E265-L267 VanDerWaalsContact C-N 3.31Å; E265-L267 PolarHBondContact O-N 3.41Å; L267-L269 VanDerWaalsContact C-N 3.34Å; L267-L269 PolarHBondContact O-N 3.2Å; L267-L270 WeakPolarHBondContact O-CB 3.37Å; L267-L270 PolarHBondContact O-N 2.69Å; L267-F271 HydrophobicContact CD1-CD2 4.36Å; L267-F271 HydrophobicContact CD1-CE2 4.1Å; L267-F271 HydrophobicContact CG-CD2 4.33Å; L267-F271 HydrophobicContact CG-CE2 4.26Å; L267-F271 WeakPolarHBondContact O-CD2 3.43Å; L267-F271 PolarHBondContact O-N 3.17Å; L267-V314 HydrophobicContact CD2-CB 4.5Å; L267-V314 HydrophobicContact CD2-CG1 4.22Å; L267-V314 HydrophobicContact CD2-CG2 3.8Å; L267-L317 HydrophobicContact CB-CD1 4.45Å; L267-L317 HydrophobicContact CD2-CD1 4.02Å; L267-L317 HydrophobicContact CG-CD1 3.9Å |
| 268 | T | 93.8 | Very high | 90 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 28% | 0.282 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 176.5 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | Q264 E265 L270 F271 D272 L317 | Q264-T268 PolarHBondContact O-N 3.17Å; Q264-T268 PolarHBondContact O-OG1 2.93Å; E265-T268 WeakPolarHBondContact O-CB 3.36Å; E265-T268 PolarHBondContact O-N 2.97Å; E265-T268 VanDerWaalsContact O-N 3.14Å; T268-L270 VanDerWaalsContact C-N 3.3Å; T268-L270 PolarHBondContact O-N 3.33Å; T268-F271 CarbonylContact O-C 3.44Å; T268-F271 WeakPolarHBondContact O-CA 3.23Å; T268-F271 WeakPolarHBondContact O-CB 3.4Å; T268-F271 PolarHBondContact O-N 3.25Å; T268-D272 PolarHBondContact O-N 2.94Å; T268-L317 HydrophobicContact CG2-CD2 4.07Å |
| 269 | L | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -31.8 | 177.9 | -65.6 | 170.9 | 0 | 0 | 0 | 113.2 | R213 L216 Y217 E265 V266 L267 F271 D272 I273 | R213-L269 HydrophobicContact CB-CD1 4.24Å; R213-L269 HydrophobicContact CG-CD1 4.39Å; L216-L269 HydrophobicContact CB-CB 3.8Å; L216-L269 HydrophobicContact CB-CD1 4.23Å; L216-L269 HydrophobicContact CD1-CB 4.01Å; Y217-L269 HydrophobicContact CD1-CD2 3.76Å; Y217-L269 HydrophobicContact CD2-CD1 4.01Å; Y217-L269 HydrophobicContact CD2-CD2 4.31Å; Y217-L269 HydrophobicContact CE1-CD2 3.5Å; Y217-L269 HydrophobicContact CE2-CD1 3.94Å; Y217-L269 HydrophobicContact CE2-CD2 4.1Å; Y217-L269 HydrophobicContact CG-CD1 4.48Å; Y217-L269 HydrophobicContact CG-CD2 4.16Å; E265-L269 HydrophobicContact CG-CD1 4.38Å; E265-L269 WeakPolarHBondContact O-CG 3.4Å; E265-L269 PolarHBondContact O-N 2.9Å; V266-L269 PolarHBondContact O-N 3.32Å; L267-L269 VanDerWaalsContact C-N 3.34Å; L267-L269 PolarHBondContact O-N 3.2Å; L269-F271 VanDerWaalsContact C-N 3.34Å; L269-D272 PolarHBondContact O-N 2.73Å; L269-I273 VanDerWaalsContact O-CG1 3.32Å; L269-I273 WeakPolarHBondContact O-CG1 3.43Å; L269-I273 PolarHBondContact O-N 3.32Å |
| 270 | L | 95 | Very high | 91.4 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -36.7 | 171.9 | -74.8 | 166.5 | 0 | 0 | 0 | 112.2 | L216 F242 L245 I249 V266 L267 T268 L274 | L216-L270 HydrophobicContact CD1-CD2 4.39Å; L216-L270 HydrophobicContact CD1-CG 4.11Å; L216-L270 HydrophobicContact CD2-CD2 3.69Å; L216-L270 HydrophobicContact CD2-CG 4.27Å; F242-L270 HydrophobicContact CD2-CB 4.07Å; F242-L270 HydrophobicContact CE2-CB 4.24Å; L245-L270 HydrophobicContact CB-CD1 3.69Å; L245-L270 HydrophobicContact CD1-CD1 4.32Å; L245-L270 HydrophobicContact CD1-CD2 4.24Å; I249-L270 HydrophobicContact CD1-CD1 3.87Å; V266-L270 WeakPolarHBondContact O-CG 3.4Å; V266-L270 PolarHBondContact O-N 2.93Å; V266-L270 VanDerWaalsContact O-N 3.1Å; L267-L270 WeakPolarHBondContact O-CB 3.37Å; L267-L270 PolarHBondContact O-N 2.69Å; T268-L270 VanDerWaalsContact C-N 3.3Å; T268-L270 PolarHBondContact O-N 3.33Å; L270-L274 WeakPolarHBondContact O-CB 3.31Å; L270-L274 PolarHBondContact O-N 3.12Å |
| 271 | F | 95.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.6 | -35.4 | 171.6 | -85 | -88.2 | 0 | 0 | 0 | 112.5 | F242 L267 T268 L269 L274 T275 F296 L299 L317 V318 | F242-F271 HydrophobicContact CE2-CD1 4.33Å; F242-F271 AromaticContact CE2-CD2 3.99Å; F242-F271 HydrophobicContact CE2-CD2 3.99Å; F242-F271 HydrophobicContact CE2-CE1 4.36Å; F242-F271 HydrophobicContact CE2-CE2 4.03Å; F242-F271 HydrophobicContact CE2-CG 4.16Å; F242-F271 HydrophobicContact CE2-CZ 4.23Å; F242-F271 HydrophobicContact CZ-CD1 4.29Å; F242-F271 HydrophobicContact CZ-CD2 4.18Å; F242-F271 AromaticContact CZ-CE1 3.87Å; F242-F271 HydrophobicContact CZ-CE1 3.87Å; F242-F271 AromaticContact CZ-CE2 3.76Å; F242-F271 HydrophobicContact CZ-CE2 3.76Å; F242-F271 HydrophobicContact CZ-CG 4.45Å; F242-F271 AromaticContact CZ-CZ 3.6Å; F242-F271 HydrophobicContact CZ-CZ 3.6Å; L267-F271 HydrophobicContact CD1-CD2 4.36Å; L267-F271 HydrophobicContact CD1-CE2 4.1Å; L267-F271 HydrophobicContact CG-CD2 4.33Å; L267-F271 HydrophobicContact CG-CE2 4.26Å; L267-F271 WeakPolarHBondContact O-CD2 3.43Å; L267-F271 PolarHBondContact O-N 3.17Å; T268-F271 CarbonylContact O-C 3.44Å; T268-F271 WeakPolarHBondContact O-CA 3.23Å; T268-F271 WeakPolarHBondContact O-CB 3.4Å; T268-F271 PolarHBondContact O-N 3.25Å; L269-F271 VanDerWaalsContact C-N 3.34Å; F271-L274 PolarHBondContact O-N 3.29Å; F271-T275 VanDerWaalsContact O-CB 3.25Å; F271-T275 WeakPolarHBondContact O-CB 3.24Å; F271-T275 PolarHBondContact O-N 2.84Å; F271-T275 PolarHBondContact O-OG1 2.91Å; F271-F296 HydrophobicContact CD1-CE1 4.24Å; F271-F296 HydrophobicContact CD1-CZ 4.43Å; F271-F296 HydrophobicContact CE1-CD1 4.12Å; F271-F296 AromaticContact CE1-CE1 3.48Å; F271-F296 HydrophobicContact CE1-CE1 3.48Å; F271-F296 VanDerWaalsContact CE1-CE1 3.48Å; F271-F296 AromaticContact CE1-CZ 3.93Å; F271-F296 HydrophobicContact CE1-CZ 3.93Å; F271-F296 HydrophobicContact CZ-CD1 4.43Å; F271-F296 HydrophobicContact CZ-CE1 4.14Å; F271-L299 HydrophobicContact CE2-CD2 4.04Å; F271-L299 HydrophobicContact CZ-CD2 3.89Å; F271-L317 HydrophobicContact CB-CD2 4.49Å; F271-L317 HydrophobicContact CD1-CB 4.27Å; F271-L317 WeakPolarHBondContact CD1-O 3.27Å; F271-L317 HydrophobicContact CD2-CB 3.67Å; F271-L317 HydrophobicContact CD2-CD1 4.05Å; F271-L317 HydrophobicContact CD2-CG 4.32Å; F271-L317 HydrophobicContact CE1-CB 4.28Å; F271-L317 VanDerWaalsContact CE1-O 3.24Å; F271-L317 WeakPolarHBondContact CE1-O 3.45Å; F271-L317 HydrophobicContact CE2-CB 3.67Å; F271-L317 HydrophobicContact CE2-CD1 4.34Å; F271-L317 HydrophobicContact CG-CB 3.97Å; F271-L317 HydrophobicContact CZ-CB 3.97Å; F271-V318 HydrophobicContact CE1-CG2 4.34Å; F271-V318 HydrophobicContact CZ-CB 4.43Å; F271-V318 HydrophobicContact CZ-CG2 3.74Å |
| 272 | D | 94.9 | Very high | 92.1 | Very high | 69 Ų | 69 | 26.8 Ų | 26.8 | 37% | 0.369 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.2 | -69 | -31.8 | 0 | 0 | 0 | 112.3 | V220 T268 L269 T275 S276 | V220-D272 HydrophobicContact CG2-CB 3.93Å; T268-D272 PolarHBondContact O-N 2.94Å; L269-D272 PolarHBondContact O-N 2.73Å; D272-T275 PolarHBondContact O-N 3.36Å; D272-S276 VanDerWaalsContact O-CB 3.28Å; D272-S276 WeakPolarHBondContact O-CB 3.5Å; D272-S276 PolarHBondContact O-N 3.47Å; D272-S276 PolarHBondContact O-OG 3.29Å |
| 273 | I | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 175.2 | -63.6 | 161.3 | 0 | 0 | 0 | 110.1 | F161 L216 L219 V220 L238 L269 T275 S276 I277 | F161-I273 HydrophobicContact CZ-CG2 4.24Å; L216-I273 HydrophobicContact CB-CD1 3.96Å; L216-I273 HydrophobicContact CD2-CD1 3.44Å; L216-I273 VanDerWaalsContact CD2-CD1 3.44Å; L216-I273 HydrophobicContact CG-CD1 4.28Å; L219-I273 HydrophobicContact CB-CD1 3.67Å; L219-I273 HydrophobicContact CB-CG1 3.87Å; L219-I273 HydrophobicContact CB-CG2 4.3Å; L219-I273 HydrophobicContact CD1-CD1 3.9Å; L219-I273 HydrophobicContact CG-CD1 4.45Å; V220-I273 HydrophobicContact CG2-CB 4.38Å; V220-I273 HydrophobicContact CG2-CG1 3.47Å; V220-I273 VanDerWaalsContact CG2-CG1 3.47Å; L238-I273 HydrophobicContact CD1-CG2 3.83Å; L269-I273 VanDerWaalsContact O-CG1 3.32Å; L269-I273 WeakPolarHBondContact O-CG1 3.43Å; L269-I273 PolarHBondContact O-N 3.32Å; I273-T275 VanDerWaalsContact C-N 3.35Å; I273-T275 PolarHBondContact O-N 3.3Å; I273-S276 PolarHBondContact O-N 3.03Å; I273-I277 HydrophobicContact CG2-CD1 4.06Å; I273-I277 WeakPolarHBondContact O-CB 3.39Å; I273-I277 PolarHBondContact O-N 3.31Å |
| 274 | L | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | -178.8 | 177.3 | 64.7 | 0 | 0 | 0 | 111.3 | F242 L270 F271 I277 I278 F285 I292 F296 | F242-L274 HydrophobicContact CD2-CD2 4.04Å; F242-L274 HydrophobicContact CE1-CD2 4.39Å; F242-L274 HydrophobicContact CE2-CD2 3.84Å; F242-L274 HydrophobicContact CG-CD2 4.4Å; F242-L274 HydrophobicContact CZ-CD2 4.05Å; L270-L274 WeakPolarHBondContact O-CB 3.31Å; L270-L274 PolarHBondContact O-N 3.12Å; F271-L274 PolarHBondContact O-N 3.29Å; L274-I277 PolarHBondContact O-N 3.07Å; L274-I278 HydrophobicContact CD1-CD1 4.11Å; L274-I278 HydrophobicContact CG-CD1 3.91Å; L274-I278 WeakPolarHBondContact O-CD1 3.39Å; L274-I278 VanDerWaalsContact O-CG1 3.26Å; L274-I278 WeakPolarHBondContact O-CG1 3.37Å; L274-I278 PolarHBondContact O-N 2.9Å; L274-F285 HydrophobicContact CD1-CZ 4.05Å; L274-I292 HydrophobicContact CD1-CD1 4.04Å; L274-I292 HydrophobicContact CD1-CG1 4.12Å; L274-I292 HydrophobicContact CD2-CD1 3.57Å; L274-I292 HydrophobicContact CD2-CG1 3.81Å; L274-I292 HydrophobicContact CG-CD1 4.47Å; L274-F296 HydrophobicContact CD2-CE1 3.55Å; L274-F296 HydrophobicContact CD2-CZ 3.55Å |
| 275 | T | 93.2 | Very high | 92.5 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 178.1 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | F271 D272 I273 I277 I278 A279 S324 | F271-T275 VanDerWaalsContact O-CB 3.25Å; F271-T275 WeakPolarHBondContact O-CB 3.24Å; F271-T275 PolarHBondContact O-N 2.84Å; F271-T275 PolarHBondContact O-OG1 2.91Å; D272-T275 PolarHBondContact O-N 3.36Å; I273-T275 VanDerWaalsContact C-N 3.35Å; I273-T275 PolarHBondContact O-N 3.3Å; T275-I277 VanDerWaalsContact C-N 3.27Å; T275-I277 PolarHBondContact O-N 3.42Å; T275-I278 PolarHBondContact O-N 3.45Å; T275-A279 WeakPolarHBondContact O-CB 3.43Å; T275-A279 PolarHBondContact O-N 2.91Å; T275-S324 WeakPolarHBondContact CG2-OG 3.31Å |
| 276 | S | 92.7 | Very high | 92.5 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | D272 I273 A279 A280 | D272-S276 VanDerWaalsContact O-CB 3.28Å; D272-S276 WeakPolarHBondContact O-CB 3.5Å; D272-S276 PolarHBondContact O-N 3.47Å; D272-S276 PolarHBondContact O-OG 3.29Å; I273-S276 PolarHBondContact O-N 3.03Å; S276-A279 PolarHBondContact O-N 3.34Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.17Å |
| 277 | I | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.1 | -38.1 | 178.3 | -81.4 | 175 | 0 | 0 | 0 | 112.8 | F161 V223 L233 L238 I273 L274 T275 A279 A280 A281 F285 | F161-I277 HydrophobicContact CE1-CD1 4.37Å; F161-I277 HydrophobicContact CE2-CD1 4.16Å; F161-I277 HydrophobicContact CZ-CD1 3.53Å; V223-I277 HydrophobicContact CB-CG1 4.43Å; V223-I277 HydrophobicContact CG1-CG1 3.9Å; V223-I277 HydrophobicContact CG2-CD1 3.88Å; V223-I277 HydrophobicContact CG2-CG1 3.66Å; L233-I277 HydrophobicContact CD1-CD1 3.91Å; L233-I277 HydrophobicContact CD1-CG1 4.41Å; L233-I277 HydrophobicContact CD2-CB 4.41Å; L233-I277 HydrophobicContact CD2-CD1 4.09Å; L233-I277 HydrophobicContact CD2-CG1 4.02Å; L233-I277 HydrophobicContact CD2-CG2 3.7Å; L233-I277 HydrophobicContact CG-CD1 4.34Å; L238-I277 HydrophobicContact CD2-CB 4.41Å; L238-I277 HydrophobicContact CD2-CD1 3.44Å; L238-I277 VanDerWaalsContact CD2-CD1 3.44Å; L238-I277 HydrophobicContact CD2-CG1 4.48Å; L238-I277 HydrophobicContact CD2-CG2 4.17Å; I273-I277 HydrophobicContact CG2-CD1 4.06Å; I273-I277 WeakPolarHBondContact O-CB 3.39Å; I273-I277 PolarHBondContact O-N 3.31Å; L274-I277 PolarHBondContact O-N 3.07Å; T275-I277 VanDerWaalsContact C-N 3.27Å; T275-I277 PolarHBondContact O-N 3.42Å; I277-A279 VanDerWaalsContact C-N 3.31Å; I277-A280 PolarHBondContact O-N 3.38Å; I277-A281 VanDerWaalsContact O-CB 3.25Å; I277-A281 WeakPolarHBondContact O-CB 3.49Å; I277-A281 PolarHBondContact O-N 2.59Å; I277-F285 HydrophobicContact CG2-CD2 4.03Å; I277-F285 HydrophobicContact CG2-CE2 3.89Å |
| 278 | I | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 171.8 | -66.3 | 159.2 | 0 | 0 | 0 | 109.9 | L274 T275 K282 F285 L325 Y328 L329 | L274-I278 HydrophobicContact CD1-CD1 4.11Å; L274-I278 HydrophobicContact CG-CD1 3.91Å; L274-I278 WeakPolarHBondContact O-CD1 3.39Å; L274-I278 VanDerWaalsContact O-CG1 3.26Å; L274-I278 WeakPolarHBondContact O-CG1 3.37Å; L274-I278 PolarHBondContact O-N 2.9Å; T275-I278 PolarHBondContact O-N 3.45Å; I278-K282 WeakPolarHBondContact O-CA 3.14Å; I278-K282 PolarHBondContact O-N 2.64Å; I278-F285 HydrophobicContact CD1-CE1 4.42Å; I278-F285 HydrophobicContact CD1-CZ 4.48Å; I278-F285 HydrophobicContact CG1-CD1 4.02Å; I278-F285 HydrophobicContact CG1-CD2 4.19Å; I278-F285 HydrophobicContact CG1-CE1 3.91Å; I278-F285 HydrophobicContact CG1-CE2 4.07Å; I278-F285 HydrophobicContact CG1-CG 4.17Å; I278-F285 HydrophobicContact CG1-CZ 3.92Å; I278-L325 HydrophobicContact CD1-CD2 3.6Å; I278-L325 HydrophobicContact CD1-CG 4Å; I278-L325 HydrophobicContact CG1-CD2 4.07Å; I278-L325 HydrophobicContact CG2-CD2 4.24Å; I278-Y328 HydrophobicContact CG2-CD2 3.79Å; I278-Y328 HydrophobicContact CG2-CG 4.23Å; I278-L329 HydrophobicContact CG2-CD1 3.88Å |
| 279 | A | 91.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 20% | 0.198 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T275 S276 I277 K282 Y328 | T275-A279 WeakPolarHBondContact O-CB 3.43Å; T275-A279 PolarHBondContact O-N 2.91Å; S276-A279 PolarHBondContact O-N 3.34Å; I277-A279 VanDerWaalsContact C-N 3.31Å; A279-K282 WeakPolarHBondContact O-CE 3.44Å; A279-K282 VanDerWaalsContact O-CG 3.23Å; A279-K282 WeakPolarHBondContact O-CG 3.32Å; A279-Y328 HydrophobicContact CB-CD2 4.27Å; A279-Y328 HydrophobicContact CB-CE1 4.01Å; A279-Y328 HydrophobicContact CB-CE2 3.64Å; A279-Y328 VanDerWaalsContact CB-CZ 3.49Å |
| 280 | A | 89.7 | Confident | 91.9 | Very high | 65 Ų | 65 | 41.3 Ų | 41.3 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -76.4 | -48.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V223 S276 I277 | V223-A280 HydrophobicContact CG1-CB 4.04Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.17Å; I277-A280 PolarHBondContact O-N 3.38Å |
| 281 | A | 89.6 | Confident | 91.7 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -81 | -27.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I277 L283 L284 F285 | I277-A281 VanDerWaalsContact O-CB 3.25Å; I277-A281 WeakPolarHBondContact O-CB 3.49Å; I277-A281 PolarHBondContact O-N 2.59Å; A281-L283 PolarHBondContact O-N 3.5Å; A281-L284 HydrophobicContact CB-CB 4.35Å; A281-L284 VanDerWaalsContact O-CB 3.27Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; A281-L284 PolarHBondContact O-N 3.34Å; A281-F285 HydrophobicContact CB-CB 4.17Å |
| 282 | K | 89.9 | Confident | 91.5 | Very high | 119 Ų | 119 | 44.1 Ų | 44.1 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | 49.7 | -122.9 | 179.1 | -54.2 | 177.3 | -174 | 173.4 | 0 | 111 | I278 A279 L284 F285 L329 | I278-K282 WeakPolarHBondContact O-CA 3.14Å; I278-K282 PolarHBondContact O-N 2.64Å; A279-K282 WeakPolarHBondContact O-CE 3.44Å; A279-K282 VanDerWaalsContact O-CG 3.23Å; A279-K282 WeakPolarHBondContact O-CG 3.32Å; K282-L284 PolarHBondContact O-N 3.31Å; K282-F285 VanDerWaalsContact O-CB 3.25Å; K282-F285 WeakPolarHBondContact O-CB 3.48Å; K282-F285 PolarHBondContact O-N 2.89Å; K282-L329 WeakPolarHBondContact O-CD2 3.41Å |
| 283 | L | 90.1 | Very high | 91.2 | Very high | 87 Ų | 87 | 41 Ų | 41 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -59.6 | -24.9 | 179.2 | -65.1 | 176.5 | 0 | 0 | 0 | 114.1 | A281 F285 A286 A332 F536 | A281-L283 PolarHBondContact O-N 3.5Å; L283-F285 PolarHBondContact O-N 2.86Å; L283-A286 WeakPolarHBondContact O-CB 3.42Å; L283-A286 PolarHBondContact O-N 2.95Å; L283-A286 VanDerWaalsContact O-N 3.07Å; L283-A332 HydrophobicContact CD2-CB 4.29Å; L283-F536 HydrophobicContact CD1-CE2 4.35Å; L283-F536 HydrophobicContact CD1-CZ 4.25Å |
| 284 | L | 89.3 | Confident | 90.9 | Very high | 141 Ų | 141 | 45.6 Ų | 45.6 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -66 | -17.5 | 174.5 | -56.9 | 176.1 | 0 | 0 | 0 | 112.4 | A281 K282 P287 | A281-L284 HydrophobicContact CB-CB 4.35Å; A281-L284 VanDerWaalsContact O-CB 3.27Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; A281-L284 PolarHBondContact O-N 3.34Å; K282-L284 PolarHBondContact O-N 3.31Å; L284-P287 WeakPolarHBondContact O-CD 3.34Å |
| 285 | F | 91.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -80 | -14.8 | 174.7 | -161.6 | -88.2 | 0 | 0 | 0 | 113.1 | V235 I239 L274 I277 I278 A281 K282 L283 F288 C289 I292 L325 L329 | V235-F285 HydrophobicContact CG1-CD2 4.13Å; V235-F285 HydrophobicContact CG1-CE2 3.65Å; V235-F285 HydrophobicContact CG1-CZ 4.35Å; I239-F285 HydrophobicContact CD1-CE2 4.41Å; I239-F285 HydrophobicContact CD1-CZ 3.88Å; L274-F285 HydrophobicContact CD1-CZ 4.05Å; I277-F285 HydrophobicContact CG2-CD2 4.03Å; I277-F285 HydrophobicContact CG2-CE2 3.89Å; I278-F285 HydrophobicContact CD1-CE1 4.42Å; I278-F285 HydrophobicContact CD1-CZ 4.48Å; I278-F285 HydrophobicContact CG1-CD1 4.02Å; I278-F285 HydrophobicContact CG1-CD2 4.19Å; I278-F285 HydrophobicContact CG1-CE1 3.91Å; I278-F285 HydrophobicContact CG1-CE2 4.07Å; I278-F285 HydrophobicContact CG1-CG 4.17Å; I278-F285 HydrophobicContact CG1-CZ 3.92Å; A281-F285 HydrophobicContact CB-CB 4.17Å; K282-F285 VanDerWaalsContact O-CB 3.25Å; K282-F285 WeakPolarHBondContact O-CB 3.48Å; K282-F285 PolarHBondContact O-N 2.89Å; L283-F285 PolarHBondContact O-N 2.86Å; F285-F288 HydrophobicContact CD1-CB 4.47Å; F285-F288 HydrophobicContact CE1-CB 4.22Å; F285-F288 HydrophobicContact CZ-CB 4.35Å; F285-F288 PolarHBondContact O-N 3.14Å; F285-C289 PolarHBondContact O-N 3.36Å; F285-I292 HydrophobicContact CE1-CG2 3.8Å; F285-I292 HydrophobicContact CZ-CG2 4.31Å; F285-L325 HydrophobicContact CD1-CD2 4.25Å; F285-L325 HydrophobicContact CE1-CD2 4.09Å; F285-L329 HydrophobicContact CB-CD2 4.39Å; F285-L329 HydrophobicContact CD1-CD1 4.47Å |
| 286 | A | 91 | Very high | 90.6 | Very high | 30 Ų | 30 | 44 Ų | 44 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -52.2 | -39.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L283 F288 C289 L329 A332 | L283-A286 WeakPolarHBondContact O-CB 3.42Å; L283-A286 PolarHBondContact O-N 2.95Å; L283-A286 VanDerWaalsContact O-N 3.07Å; A286-F288 PolarHBondContact O-N 2.98Å; A286-F288 VanDerWaalsContact O-N 3.13Å; A286-C289 WeakPolarHBondContact O-CB 3.27Å; A286-C289 PolarHBondContact O-N 3.04Å; A286-L329 HydrophobicContact CB-CD2 3.69Å; A286-A332 HydrophobicContact CB-CB 4.25Å |
| 287 | P | 91 | Very high | 90.4 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 68% | 0.675 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -59.3 | -25.3 | 176.4 | -25.1 | 36.2 | 0 | 0 | 0 | 114 | L284 | L284-P287 WeakPolarHBondContact O-CD 3.34Š|
| 288 | F | 91.5 | Very high | 90.2 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 23% | 0.228 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -95.7 | -11.9 | -175.8 | -49.2 | -72.4 | 0 | 0 | 0 | 113.5 | V235 L236 I239 F285 A286 S290 R291 I292 | V235-F288 HydrophobicContact CB-CD2 4.29Å; V235-F288 HydrophobicContact CB-CE2 4.16Å; V235-F288 HydrophobicContact CB-CZ 4.3Å; V235-F288 HydrophobicContact CG1-CB 4.15Å; V235-F288 HydrophobicContact CG1-CD1 4.1Å; V235-F288 HydrophobicContact CG1-CD2 3.6Å; V235-F288 HydrophobicContact CG1-CE1 4.44Å; V235-F288 HydrophobicContact CG1-CE2 3.98Å; V235-F288 HydrophobicContact CG1-CG 3.66Å; V235-F288 HydrophobicContact CG1-CZ 4.38Å; V235-F288 HydrophobicContact CG2-CE2 4.5Å; L236-F288 HydrophobicContact CD2-CD1 3.76Å; L236-F288 HydrophobicContact CD2-CE1 3.7Å; L236-F288 HydrophobicContact CG-CD1 4.31Å; L236-F288 HydrophobicContact CG-CE1 3.83Å; I239-F288 HydrophobicContact CD1-CB 3.64Å; I239-F288 HydrophobicContact CD1-CG 4.34Å; F285-F288 HydrophobicContact CD1-CB 4.47Å; F285-F288 HydrophobicContact CE1-CB 4.22Å; F285-F288 HydrophobicContact CZ-CB 4.35Å; F285-F288 PolarHBondContact O-N 3.14Å; A286-F288 PolarHBondContact O-N 2.98Å; A286-F288 VanDerWaalsContact O-N 3.13Å; F288-S290 PolarHBondContact O-N 3.35Å; F288-R291 PolarHBondContact O-N 2.96Å; F288-R291 VanDerWaalsContact O-N 3.08Å; F288-I292 PolarHBondContact O-N 3.14Å |
| 289 | C | 90.7 | Very high | 90 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -52.1 | -51.4 | -176.3 | -74.4 | 0 | 0 | 0 | 0 | 113 | F285 A286 R291 I292 C293 | F285-C289 PolarHBondContact O-N 3.36Å; A286-C289 WeakPolarHBondContact O-CB 3.27Å; A286-C289 PolarHBondContact O-N 3.04Å; C289-R291 PolarHBondContact O-N 3.35Å; C289-R291 VanDerWaalsContact O-N 3.07Å; C289-I292 WeakPolarHBondContact O-CG2 3.34Å; C289-I292 PolarHBondContact O-N 3.35Å; C289-C293 WeakPolarHBondContact O-CB 3.41Å; C289-C293 PolarHBondContact O-N 3.41Å; C289-C293 PolarHBondContact O-SG 2.99Å |
| 290 | S | 88.1 | Confident | 89.8 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 59% | 0.587 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -52.6 | -37.6 | -179.1 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | F288 H294 | F288-S290 PolarHBondContact O-N 3.35Å; S290-H294 PolarHBondContact O-N 3.43Å; S290-H294 VanDerWaalsContact O-N 3.11Å |
| 291 | R | 90.1 | Very high | 89.6 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 26% | 0.26 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.6 | -48.2 | -179.6 | -171.5 | -177.8 | 171 | 179.4 | -3.1 | 112.5 | T186 I239 E243 F288 C289 C293 H294 A295 | T186-R291 PolarHBondContact OG1-NH2 3.31Å; I239-R291 HydrophobicContact CG2-CG 3.91Å; E243-R291 IonicContact OE2-NE 3.76Å; E243-R291 IonicContact OE2-NH2 2.72Å; E243-R291 PolarHBondContact OE2-NH2 3.25Å; F288-R291 PolarHBondContact O-N 2.96Å; F288-R291 VanDerWaalsContact O-N 3.08Å; C289-R291 PolarHBondContact O-N 3.35Å; C289-R291 VanDerWaalsContact O-N 3.07Å; R291-C293 VanDerWaalsContact C-N 3.29Å; R291-C293 PolarHBondContact O-N 3.14Å; R291-H294 WeakPolarHBondContact O-CB 3.36Å; R291-H294 PolarHBondContact O-N 2.83Å; R291-A295 PolarHBondContact O-N 2.93Å |
| 292 | I | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 178.4 | -171.1 | 64.7 | 0 | 0 | 0 | 111.4 | I239 F242 L274 F285 F288 C289 H294 A295 F296 L325 | I239-I292 HydrophobicContact CD1-CB 4.44Å; I239-I292 HydrophobicContact CG2-CD1 4.32Å; F242-I292 HydrophobicContact CD1-CD1 3.6Å; F242-I292 HydrophobicContact CE1-CD1 3.85Å; F242-I292 HydrophobicContact CG-CD1 4.26Å; L274-I292 HydrophobicContact CD1-CD1 4.04Å; L274-I292 HydrophobicContact CD1-CG1 4.12Å; L274-I292 HydrophobicContact CD2-CD1 3.57Å; L274-I292 HydrophobicContact CD2-CG1 3.81Å; L274-I292 HydrophobicContact CG-CD1 4.47Å; F285-I292 HydrophobicContact CE1-CG2 3.8Å; F285-I292 HydrophobicContact CZ-CG2 4.31Å; F288-I292 PolarHBondContact O-N 3.14Å; C289-I292 WeakPolarHBondContact O-CG2 3.34Å; C289-I292 PolarHBondContact O-N 3.35Å; I292-H294 VanDerWaalsContact C-N 3.31Å; I292-H294 PolarHBondContact O-N 3.49Å; I292-A295 HydrophobicContact CD1-CB 4.32Å; I292-A295 WeakPolarHBondContact O-CB 3.46Å; I292-A295 PolarHBondContact O-N 3.04Å; I292-A295 VanDerWaalsContact O-N 3.13Å; I292-F296 HydrophobicContact CD1-CD1 4.25Å; I292-F296 HydrophobicContact CD1-CE1 3.9Å; I292-F296 HydrophobicContact CD1-CZ 4.41Å; I292-F296 HydrophobicContact CG1-CD1 4.21Å; I292-F296 HydrophobicContact CG1-CE1 3.83Å; I292-F296 HydrophobicContact CG1-CE2 4.29Å; I292-F296 HydrophobicContact CG1-CZ 3.88Å; I292-F296 WeakPolarHBondContact O-CG 3.5Å; I292-F296 PolarHBondContact O-N 3.3Å; I292-L325 HydrophobicContact CG2-CD1 3.95Å; I292-L325 HydrophobicContact CG2-CD2 4.2Å |
| 293 | C | 89.1 | Confident | 88.8 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 173.2 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | C289 R291 F296 F297 L335 | C289-C293 WeakPolarHBondContact O-CB 3.41Å; C289-C293 PolarHBondContact O-N 3.41Å; C289-C293 PolarHBondContact O-SG 2.99Å; R291-C293 VanDerWaalsContact C-N 3.29Å; R291-C293 PolarHBondContact O-N 3.14Å; C293-F296 PolarHBondContact O-N 3.46Å; C293-F297 WeakPolarHBondContact O-CD2 3.23Å; C293-F297 PolarHBondContact O-N 3.39Å; C293-L335 HydrophobicContact CB-CD2 3.82Å; C293-L335 WeakPolarHBondContact SG-CD2 3.46Å; C293-L335 VanDerWaalsContact SG-CG 3.52Å |
| 294 | H | 88.4 | Confident | 87.9 | Confident | 97 Ų | 97 | 46 Ų | 46 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 171.7 | 179.9 | 83.3 | 0 | 0 | 0 | 111.8 | S290 R291 I292 F296 F297 K298 | S290-H294 PolarHBondContact O-N 3.43Å; S290-H294 VanDerWaalsContact O-N 3.11Å; R291-H294 WeakPolarHBondContact O-CB 3.36Å; R291-H294 PolarHBondContact O-N 2.83Å; I292-H294 VanDerWaalsContact C-N 3.31Å; I292-H294 PolarHBondContact O-N 3.49Å; H294-F296 PolarHBondContact O-N 3Å; H294-F297 PolarHBondContact O-N 3.44Å; H294-K298 WeakPolarHBondContact O-CB 3.46Å; H294-K298 PolarHBondContact O-N 3.2Å |
| 295 | A | 90.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F242 E243 R291 I292 K298 L299 | F242-A295 HydrophobicContact CD1-CB 4.47Å; E243-A295 HydrophobicContact CB-CB 4.07Å; E243-A295 HydrophobicContact CG-CB 4Å; R291-A295 PolarHBondContact O-N 2.93Å; I292-A295 HydrophobicContact CD1-CB 4.32Å; I292-A295 WeakPolarHBondContact O-CB 3.46Å; I292-A295 PolarHBondContact O-N 3.04Å; I292-A295 VanDerWaalsContact O-N 3.13Å; A295-K298 PolarHBondContact O-N 3.21Å; A295-L299 WeakPolarHBondContact O-CB 3.37Å; A295-L299 PolarHBondContact O-N 2.95Å |
| 296 | F | 91.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 174 | -75 | -5.9 | 0 | 0 | 0 | 112.7 | F242 F271 L274 I292 C293 H294 K298 L299 L300 V318 L322 L325 | F242-F296 AromaticContact CE1-CD1 3.9Å; F242-F296 HydrophobicContact CE1-CD1 3.9Å; F242-F296 AromaticContact CE1-CE1 3.78Å; F242-F296 HydrophobicContact CE1-CE1 3.78Å; F242-F296 HydrophobicContact CZ-CD1 4.09Å; F242-F296 AromaticContact CZ-CE1 3.66Å; F242-F296 HydrophobicContact CZ-CE1 3.66Å; F271-F296 HydrophobicContact CD1-CE1 4.24Å; F271-F296 HydrophobicContact CD1-CZ 4.43Å; F271-F296 HydrophobicContact CE1-CD1 4.12Å; F271-F296 AromaticContact CE1-CE1 3.48Å; F271-F296 HydrophobicContact CE1-CE1 3.48Å; F271-F296 VanDerWaalsContact CE1-CE1 3.48Å; F271-F296 AromaticContact CE1-CZ 3.93Å; F271-F296 HydrophobicContact CE1-CZ 3.93Å; F271-F296 HydrophobicContact CZ-CD1 4.43Å; F271-F296 HydrophobicContact CZ-CE1 4.14Å; L274-F296 HydrophobicContact CD2-CE1 3.55Å; L274-F296 HydrophobicContact CD2-CZ 3.55Å; I292-F296 HydrophobicContact CD1-CD1 4.25Å; I292-F296 HydrophobicContact CD1-CE1 3.9Å; I292-F296 HydrophobicContact CD1-CZ 4.41Å; I292-F296 HydrophobicContact CG1-CD1 4.21Å; I292-F296 HydrophobicContact CG1-CE1 3.83Å; I292-F296 HydrophobicContact CG1-CE2 4.29Å; I292-F296 HydrophobicContact CG1-CZ 3.88Å; I292-F296 WeakPolarHBondContact O-CG 3.5Å; I292-F296 PolarHBondContact O-N 3.3Å; C293-F296 PolarHBondContact O-N 3.46Å; H294-F296 PolarHBondContact O-N 3Å; F296-K298 VanDerWaalsContact C-N 3.34Å; F296-K298 PolarHBondContact O-N 3.1Å; F296-L299 PolarHBondContact O-N 2.78Å; F296-L300 WeakPolarHBondContact O-CG 3.23Å; F296-L300 PolarHBondContact O-N 3.19Å; F296-V318 HydrophobicContact CB-CG1 3.73Å; F296-V318 HydrophobicContact CD2-CG1 4.3Å; F296-V318 HydrophobicContact CG-CG1 3.97Å; F296-L322 HydrophobicContact CD2-CD2 3.82Å; F296-L322 HydrophobicContact CD2-CG 3.92Å; F296-L322 HydrophobicContact CE2-CD2 4.47Å; F296-L322 HydrophobicContact CE2-CG 4.41Å; F296-L325 HydrophobicContact CD2-CD1 4.1Å; F296-L325 HydrophobicContact CE2-CD1 3.6Å; F296-L325 HydrophobicContact CE2-CG 4.46Å |
| 297 | F | 88.1 | Confident | 84 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 176.8 | -72.5 | -63.5 | 0 | 0 | 0 | 112.7 | C293 H294 L300 K301 L335 K338 D341 I342 I345 | C293-F297 WeakPolarHBondContact O-CD2 3.23Å; C293-F297 PolarHBondContact O-N 3.39Å; H294-F297 PolarHBondContact O-N 3.44Å; F297-L300 HydrophobicContact CD1-CD1 4.23Å; F297-K301 WeakPolarHBondContact O-CB 3.34Å; F297-K301 VanDerWaalsContact O-CG 3.26Å; F297-K301 WeakPolarHBondContact O-CG 3.39Å; F297-K301 PolarHBondContact O-N 3.02Å; F297-L335 HydrophobicContact CE2-CD2 4.07Å; F297-L335 HydrophobicContact CZ-CD2 4.45Å; F297-K338 HydrophobicContact CD2-CD 4.37Å; F297-K338 HydrophobicContact CE2-CB 4.17Å; F297-K338 HydrophobicContact CE2-CD 3.96Å; F297-K338 HydrophobicContact CZ-CB 4.38Å; F297-D341 HydrophobicContact CD1-CB 4.18Å; F297-D341 HydrophobicContact CE1-CB 3.68Å; F297-D341 HydrophobicContact CZ-CB 3.96Å; F297-I342 HydrophobicContact CE1-CG1 3.9Å; F297-I342 HydrophobicContact CZ-CD1 4.21Å; F297-I342 HydrophobicContact CZ-CG1 3.66Å; F297-I345 HydrophobicContact CD1-CD1 4.43Å |
| 298 | K | 88.4 | Confident | 83.1 | Confident | 59 Ų | 59 | 49 Ų | 49 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 173.2 | -173.2 | 176.4 | 175.5 | -177 | 0 | 111 | E243 L247 H294 A295 F296 K301 S302 | E243-K298 IonicContact OE1-NZ 3.26Å; E243-K298 PolarHBondContact OE1-NZ 3.46Å; L247-K298 HydrophobicContact CD1-CD 3.86Å; L247-K298 VanDerWaalsContact CD1-CE 3.46Å; L247-K298 HydrophobicContact CD1-CG 4.09Å; L247-K298 HydrophobicContact CD2-CG 4.21Å; H294-K298 WeakPolarHBondContact O-CB 3.46Å; H294-K298 PolarHBondContact O-N 3.2Å; A295-K298 PolarHBondContact O-N 3.21Å; F296-K298 VanDerWaalsContact C-N 3.34Å; F296-K298 PolarHBondContact O-N 3.1Å; K298-K301 PolarHBondContact O-N 3.32Å; K298-S302 WeakPolarHBondContact O-CB 3.28Å; K298-S302 PolarHBondContact O-N 3.47Å |
| 299 | L | 89.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -49.7 | 174.1 | -172.3 | 63.3 | 0 | 0 | 0 | 111.6 | S246 L247 A250 F271 A295 F296 K301 S302 V303 V314 V318 | S246-L299 WeakPolarHBondContact O-CD1 3.47Å; L247-L299 HydrophobicContact CD2-CB 4.41Å; L247-L299 HydrophobicContact CD2-CD1 4.03Å; A250-L299 HydrophobicContact CB-CD1 3.65Å; F271-L299 HydrophobicContact CE2-CD2 4.04Å; F271-L299 HydrophobicContact CZ-CD2 3.89Å; A295-L299 WeakPolarHBondContact O-CB 3.37Å; A295-L299 PolarHBondContact O-N 2.95Å; F296-L299 PolarHBondContact O-N 2.78Å; L299-K301 VanDerWaalsContact C-N 3.27Å; L299-K301 PolarHBondContact O-N 2.97Å; L299-S302 PolarHBondContact O-N 3.14Å; L299-S302 PolarHBondContact O-OG 2.95Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 3.23Å; L299-V314 HydrophobicContact CD1-CG1 4.29Å; L299-V314 HydrophobicContact CD2-CG1 4.07Å; L299-V314 HydrophobicContact CG-CG1 3.96Å; L299-V318 HydrophobicContact CD2-CG2 3.8Å; L299-V318 HydrophobicContact CG-CG2 4.33Å |
| 300 | L | 86.8 | Confident | 81.8 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.9 | -40.6 | 175.1 | -72.2 | 169.7 | 0 | 0 | 0 | 112.3 | F296 F297 S302 R315 V318 Y319 I345 | F296-L300 WeakPolarHBondContact O-CG 3.23Å; F296-L300 PolarHBondContact O-N 3.19Å; F297-L300 HydrophobicContact CD1-CD1 4.23Å; L300-S302 VanDerWaalsContact C-N 3.33Å; L300-R315 HydrophobicContact CD2-CB 4.06Å; L300-R315 HydrophobicContact CD2-CG 3.8Å; L300-V318 HydrophobicContact CD1-CB 4.38Å; L300-V318 HydrophobicContact CD1-CG1 3.62Å; L300-V318 HydrophobicContact CD2-CB 3.93Å; L300-V318 HydrophobicContact CD2-CG1 4.1Å; L300-V318 HydrophobicContact CD2-CG2 4.06Å; L300-V318 HydrophobicContact CG-CB 4.1Å; L300-V318 HydrophobicContact CG-CG1 3.77Å; L300-V318 HydrophobicContact CG-CG2 4.09Å; L300-Y319 HydrophobicContact CD1-CE1 4.47Å; L300-Y319 HydrophobicContact CD2-CE1 4.17Å; L300-I345 HydrophobicContact CB-CD1 4.31Å; L300-I345 HydrophobicContact CD1-CD1 3.84Å |
| 301 | K | 84.4 | Confident | 81.5 | Confident | 142 Ų | 142 | 45.6 Ų | 45.6 | 62% | 0.617 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -74.8 | -17.4 | 177.3 | -70.8 | 173.6 | -177.4 | -179.1 | 0 | 114 | F297 K298 L299 D341 | F297-K301 WeakPolarHBondContact O-CB 3.34Å; F297-K301 VanDerWaalsContact O-CG 3.26Å; F297-K301 WeakPolarHBondContact O-CG 3.39Å; F297-K301 PolarHBondContact O-N 3.02Å; K298-K301 PolarHBondContact O-N 3.32Å; L299-K301 VanDerWaalsContact C-N 3.27Å; L299-K301 PolarHBondContact O-N 2.97Å; K301-D341 IonicContact NZ-OD1 2.78Å |
| 302 | S | 83 | Confident | 81.1 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 42% | 0.42 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -85.4 | -21.9 | 176.2 | 74.5 | 0 | 0 | 0 | 0 | 113.9 | K298 L299 L300 | K298-S302 WeakPolarHBondContact O-CB 3.28Å; K298-S302 PolarHBondContact O-N 3.47Å; L299-S302 PolarHBondContact O-N 3.14Å; L299-S302 PolarHBondContact O-OG 2.95Å; L300-S302 VanDerWaalsContact C-N 3.33Å |
| 303 | V | 80.5 | Confident | 80.9 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -80 | 136.4 | -179.6 | 168.7 | 0 | 0 | 0 | 0 | 109.7 | A250 L299 K305 A311 V314 R315 | A250-V303 HydrophobicContact CB-CG2 4.46Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 3.23Å; V303-K305 PolarHBondContact O-N 3.03Å; V303-A311 VanDerWaalsContact CG1-CA 3.5Å; V303-A311 HydrophobicContact CG1-CB 3.28Å; V303-V314 HydrophobicContact CG2-CB 3.89Å; V303-V314 HydrophobicContact CG2-CG1 3.55Å; V303-V314 HydrophobicContact CG2-CG2 4.44Å; V303-R315 HydrophobicContact CG1-CG 4.43Å |
| 304 | P | 71.2 | Confident | 80.9 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 53% | 0.532 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 137.4 | 179.4 | 23.4 | -33.5 | 0 | 0 | 0 | 112.2 | A311 R315 | P304-A311 HydrophobicContact CG-CB 4.38Å; P304-R315 PolarHBondContact O-NH2 2.81Å |
| 305 | K | 66.7 | Low | 80.9 | Confident | 155 Ų | 155 | 39 Ų | 39 | 67% | 0.674 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -70.1 | 136.5 | 168.3 | -60.6 | -167.9 | 175.8 | -155.2 | 0 | 109.2 | V303 E348 | V303-K305 PolarHBondContact O-N 3.03Å; K305-E348 VanDerWaalsContact CD-OE2 3.3Å; K305-E348 WeakPolarHBondContact CD-OE2 3.25Å; K305-E348 WeakPolarHBondContact CE-OE2 3.45Å; K305-E348 IonicContact NZ-OE1 2.64Å; K305-E348 PolarHBondContact NZ-OE1 3.4Å; K305-E348 IonicContact NZ-OE2 2.66Å; K305-E348 PolarHBondContact NZ-OE2 2.96Å |
| 306 | G | 61.2 | Low | 80.9 | Confident | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 119.4 | -167.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S308 R315 | G306-S308 PolarHBondContact O-N 3.49Å; G306-R315 PolarHBondContact O-NH2 3.3Å |
| 307 | H | 61.4 | Low | 80.9 | Confident | 106 Ų | 106 | 39.8 Ų | 39.8 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -89.6 | 15.4 | -160.6 | -56.9 | -71.5 | 0 | 0 | 0 | 116.4 | S309 Q384 | H307-S309 PolarHBondContact O-N 3.05Å; H307-Q384 PolarHBondContact ND1-OE1 3.24Å; H307-Q384 PolarHBondContact O-NE2 2.71Å |
| 308 | S | 72.6 | Confident | 81.1 | Confident | 50 Ų | 50 | 39.2 Ų | 39.2 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | trans | -70.8 | 129.2 | -179.4 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | G306 N310 A311 A312 | G306-S308 PolarHBondContact O-N 3.49Å; S308-N310 PolarHBondContact O-N 3.42Å; S308-A311 WeakPolarHBondContact O-CB 3.35Å; S308-A311 PolarHBondContact O-N 3.39Å; S308-A311 WeakPolarHBondContact OG-CB 3.5Å; S308-A312 PolarHBondContact O-N 3.24Å; S308-A312 VanDerWaalsContact O-N 3.14Å | ||
| 309 | S | 75.8 | Confident | 81.3 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -53.1 | -43.7 | -178.7 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | H307 A311 A312 A313 E383 | H307-S309 PolarHBondContact O-N 3.05Å; S309-A311 VanDerWaalsContact C-N 3.33Å; S309-A311 PolarHBondContact O-N 2.9Å; S309-A312 PolarHBondContact O-N 3.44Å; S309-A313 PolarHBondContact O-N 2.95Å; S309-E383 WeakPolarHBondContact OG-CG 3.29Å |
| 310 | N | 78.9 | Confident | 81.5 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -40 | 176.2 | -39.1 | -20.4 | 0 | 0 | 0 | 112.4 | L253 S308 A313 V314 | L253-N310 HydrophobicContact CB-CB 4.21Å; L253-N310 PolarHBondContact O-ND2 2.9Å; S308-N310 PolarHBondContact O-N 3.42Å; N310-A313 PolarHBondContact O-N 2.91Å; N310-V314 WeakPolarHBondContact O-CG2 3.23Å; N310-V314 PolarHBondContact O-N 3.48Å |
| 311 | A | 82.4 | Confident | 81.8 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | V303 P304 S308 S309 A313 V314 R315 | V303-A311 VanDerWaalsContact CG1-CA 3.5Å; V303-A311 HydrophobicContact CG1-CB 3.28Å; P304-A311 HydrophobicContact CG-CB 4.38Å; S308-A311 WeakPolarHBondContact O-CB 3.35Å; S308-A311 PolarHBondContact O-N 3.39Å; S308-A311 WeakPolarHBondContact OG-CB 3.5Å; S309-A311 VanDerWaalsContact C-N 3.33Å; S309-A311 PolarHBondContact O-N 2.9Å; A311-A313 VanDerWaalsContact C-N 3.29Å; A311-A313 PolarHBondContact O-N 3.12Å; A311-V314 PolarHBondContact O-N 3.1Å; A311-R315 VanDerWaalsContact O-CG 3.27Å; A311-R315 WeakPolarHBondContact O-CG 3.36Å; A311-R315 PolarHBondContact O-N 3.06Å |
| 312 | A | 82.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S308 S309 R315 A316 E383 Q384 S387 | S308-A312 PolarHBondContact O-N 3.24Å; S308-A312 VanDerWaalsContact O-N 3.14Å; S309-A312 PolarHBondContact O-N 3.44Å; A312-R315 PolarHBondContact O-N 2.85Å; A312-A316 WeakPolarHBondContact O-CB 3.14Å; A312-A316 PolarHBondContact O-N 3.19Å; A312-E383 HydrophobicContact CB-CB 3.94Å; A312-Q384 HydrophobicContact CB-CB 4.39Å; A312-Q384 HydrophobicContact CB-CG 3.86Å; A312-S387 WeakPolarHBondContact O-CB 3.44Å; A312-S387 PolarHBondContact O-OG 3Å |
| 313 | A | 86 | Confident | 82.6 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S309 N310 A311 A316 L317 | S309-A313 PolarHBondContact O-N 2.95Å; N310-A313 PolarHBondContact O-N 2.91Å; A311-A313 VanDerWaalsContact C-N 3.29Å; A311-A313 PolarHBondContact O-N 3.12Å; A313-A316 WeakPolarHBondContact O-CB 3.44Å; A313-L317 WeakPolarHBondContact O-CG 3.47Å; A313-L317 PolarHBondContact O-N 3.17Å |
| 314 | V | 88.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -44.8 | 173.9 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | L253 L267 L299 V303 N310 A311 A316 L317 V318 | L253-V314 HydrophobicContact CD1-CG2 3.48Å; L253-V314 VanDerWaalsContact CD1-CG2 3.48Å; L267-V314 HydrophobicContact CD2-CB 4.5Å; L267-V314 HydrophobicContact CD2-CG1 4.22Å; L267-V314 HydrophobicContact CD2-CG2 3.8Å; L299-V314 HydrophobicContact CD1-CG1 4.29Å; L299-V314 HydrophobicContact CD2-CG1 4.07Å; L299-V314 HydrophobicContact CG-CG1 3.96Å; V303-V314 HydrophobicContact CG2-CB 3.89Å; V303-V314 HydrophobicContact CG2-CG1 3.55Å; V303-V314 HydrophobicContact CG2-CG2 4.44Å; N310-V314 WeakPolarHBondContact O-CG2 3.23Å; N310-V314 PolarHBondContact O-N 3.48Å; A311-V314 PolarHBondContact O-N 3.1Å; V314-A316 VanDerWaalsContact C-N 3.29Å; V314-A316 PolarHBondContact O-N 3.49Å; V314-L317 PolarHBondContact O-N 2.85Å; V314-V318 PolarHBondContact O-N 3.45Å; V314-V318 VanDerWaalsContact O-N 3.16Å |
| 315 | R | 88.3 | Confident | 84.2 | Confident | 20 Ų | 20 | 26 Ų | 26 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 175.7 | -66.4 | 177.6 | -147.1 | 150.7 | 7.3 | 111 | L300 V303 P304 G306 A311 A312 L317 V318 Y319 E349 S387 | L300-R315 HydrophobicContact CD2-CB 4.06Å; L300-R315 HydrophobicContact CD2-CG 3.8Å; V303-R315 HydrophobicContact CG1-CG 4.43Å; P304-R315 PolarHBondContact O-NH2 2.81Å; G306-R315 PolarHBondContact O-NH2 3.3Å; A311-R315 VanDerWaalsContact O-CG 3.27Å; A311-R315 WeakPolarHBondContact O-CG 3.36Å; A311-R315 PolarHBondContact O-N 3.06Å; A312-R315 PolarHBondContact O-N 2.85Å; R315-L317 PolarHBondContact O-N 3.24Å; R315-V318 PolarHBondContact O-N 2.79Å; R315-V318 VanDerWaalsContact O-N 3.1Å; R315-Y319 HydrophobicContact CB-CD2 4.47Å; R315-Y319 HydrophobicContact CB-CE2 3.74Å; R315-Y319 WeakPolarHBondContact O-CD2 3.36Å; R315-Y319 PolarHBondContact O-N 2.87Å; R315-E349 WeakPolarHBondContact CD-OE1 3.27Å; R315-E349 IonicContact CZ-OE2 3.25Å; R315-E349 IonicContact NE-OE1 3.81Å; R315-E349 IonicContact NH1-OE1 2.82Å; R315-E349 PolarHBondContact NH1-OE1 3.2Å; R315-E349 IonicContact NH1-OE2 3.95Å; R315-E349 PolarHBondContact NH1-OE2 3.11Å; R315-S387 WeakPolarHBondContact CB-OG 3.39Å |
| 316 | A | 90.2 | Very high | 85.2 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.5 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A312 A313 V314 Y319 D320 S387 K390 | A312-A316 WeakPolarHBondContact O-CB 3.14Å; A312-A316 PolarHBondContact O-N 3.19Å; A313-A316 WeakPolarHBondContact O-CB 3.44Å; V314-A316 VanDerWaalsContact C-N 3.29Å; V314-A316 PolarHBondContact O-N 3.49Å; A316-Y319 PolarHBondContact O-N 3.2Å; A316-D320 PolarHBondContact O-N 2.88Å; A316-D320 VanDerWaalsContact O-N 3.09Å; A316-S387 PolarHBondContact N-OG 2.67Å; A316-S387 VanDerWaalsContact N-OG 3.17Å; A316-K390 HydrophobicContact CB-CD 3.71Å; A316-K390 WeakPolarHBondContact O-CD 3.29Å |
| 317 | L | 92.8 | Very high | 86.6 | Confident | 16 Ų | 16 | 21 Ų | 21 | 8% | 0.084 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 175.6 | -68.8 | 171.8 | 0 | 0 | 0 | 112 | L267 T268 F271 A313 V314 R315 Y319 D320 G321 | L267-L317 HydrophobicContact CB-CD1 4.45Å; L267-L317 HydrophobicContact CD2-CD1 4.02Å; L267-L317 HydrophobicContact CG-CD1 3.9Å; T268-L317 HydrophobicContact CG2-CD2 4.07Å; F271-L317 HydrophobicContact CB-CD2 4.49Å; F271-L317 HydrophobicContact CD1-CB 4.27Å; F271-L317 WeakPolarHBondContact CD1-O 3.27Å; F271-L317 HydrophobicContact CD2-CB 3.67Å; F271-L317 HydrophobicContact CD2-CD1 4.05Å; F271-L317 HydrophobicContact CD2-CG 4.32Å; F271-L317 HydrophobicContact CE1-CB 4.28Å; F271-L317 VanDerWaalsContact CE1-O 3.24Å; F271-L317 WeakPolarHBondContact CE1-O 3.45Å; F271-L317 HydrophobicContact CE2-CB 3.67Å; F271-L317 HydrophobicContact CE2-CD1 4.34Å; F271-L317 HydrophobicContact CG-CB 3.97Å; F271-L317 HydrophobicContact CZ-CB 3.97Å; A313-L317 WeakPolarHBondContact O-CG 3.47Å; A313-L317 PolarHBondContact O-N 3.17Å; V314-L317 PolarHBondContact O-N 2.85Å; R315-L317 PolarHBondContact O-N 3.24Å; L317-Y319 VanDerWaalsContact C-N 3.34Å; L317-Y319 PolarHBondContact O-N 2.86Å; L317-D320 PolarHBondContact O-N 3.1Å; L317-G321 PolarHBondContact O-N 3.39Å |
| 318 | V | 92.8 | Very high | 88 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | F271 F296 L299 L300 V314 R315 G321 L322 | F271-V318 HydrophobicContact CE1-CG2 4.34Å; F271-V318 HydrophobicContact CZ-CB 4.43Å; F271-V318 HydrophobicContact CZ-CG2 3.74Å; F296-V318 HydrophobicContact CB-CG1 3.73Å; F296-V318 HydrophobicContact CD2-CG1 4.3Å; F296-V318 HydrophobicContact CG-CG1 3.97Å; L299-V318 HydrophobicContact CD2-CG2 3.8Å; L299-V318 HydrophobicContact CG-CG2 4.33Å; L300-V318 HydrophobicContact CD1-CB 4.38Å; L300-V318 HydrophobicContact CD1-CG1 3.62Å; L300-V318 HydrophobicContact CD2-CB 3.93Å; L300-V318 HydrophobicContact CD2-CG1 4.1Å; L300-V318 HydrophobicContact CD2-CG2 4.06Å; L300-V318 HydrophobicContact CG-CB 4.1Å; L300-V318 HydrophobicContact CG-CG1 3.77Å; L300-V318 HydrophobicContact CG-CG2 4.09Å; V314-V318 PolarHBondContact O-N 3.45Å; V314-V318 VanDerWaalsContact O-N 3.16Å; R315-V318 PolarHBondContact O-N 2.79Å; R315-V318 VanDerWaalsContact O-N 3.1Å; V318-G321 PolarHBondContact O-N 2.82Å; V318-L322 HydrophobicContact CG1-CD1 3.98Å; V318-L322 HydrophobicContact CG1-CG 4.26Å; V318-L322 WeakPolarHBondContact O-CB 3.42Å; V318-L322 WeakPolarHBondContact O-CG 3.45Å; V318-L322 PolarHBondContact O-N 3.01Å |
| 319 | Y | 91.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 177.8 | -57.1 | -32.4 | 0 | 0 | 0 | 112.1 | L300 R315 A316 L317 L322 T323 I345 E349 S387 F391 T394 | L300-Y319 HydrophobicContact CD1-CE1 4.47Å; L300-Y319 HydrophobicContact CD2-CE1 4.17Å; R315-Y319 HydrophobicContact CB-CD2 4.47Å; R315-Y319 HydrophobicContact CB-CE2 3.74Å; R315-Y319 WeakPolarHBondContact O-CD2 3.36Å; R315-Y319 PolarHBondContact O-N 2.87Å; A316-Y319 PolarHBondContact O-N 3.2Å; L317-Y319 VanDerWaalsContact C-N 3.34Å; L317-Y319 PolarHBondContact O-N 2.86Å; Y319-L322 HydrophobicContact CD1-CD1 4.47Å; Y319-L322 PolarHBondContact O-N 3.15Å; Y319-T323 WeakPolarHBondContact O-CB 3.32Å; Y319-T323 PolarHBondContact O-N 2.75Å; Y319-T323 PolarHBondContact O-OG1 3.17Å; Y319-I345 HydrophobicContact CE1-CG2 4.33Å; Y319-I345 WeakPolarHBondContact OH-CG2 3.21Å; Y319-E349 WeakPolarHBondContact CE2-OE1 3.33Å; Y319-E349 PolarHBondContact OH-OE1 2.95Å; Y319-S387 WeakPolarHBondContact CD2-O 3.48Å; Y319-S387 WeakPolarHBondContact CE2-OG 3.39Å; Y319-F391 AromaticContact CD1-CD2 3.78Å; Y319-F391 HydrophobicContact CD1-CD2 3.78Å; Y319-F391 HydrophobicContact CD2-CB 3.67Å; Y319-F391 HydrophobicContact CD2-CD2 4.28Å; Y319-F391 HydrophobicContact CD2-CG 4.47Å; Y319-F391 AromaticContact CE1-CD2 3.66Å; Y319-F391 HydrophobicContact CE1-CD2 3.66Å; Y319-F391 HydrophobicContact CE1-CE2 4.34Å; Y319-F391 HydrophobicContact CE2-CB 3.87Å; Y319-F391 HydrophobicContact CE2-CD2 4.15Å; Y319-F391 HydrophobicContact CE2-CG 4.39Å; Y319-F391 HydrophobicContact CG-CB 4.05Å; Y319-F391 HydrophobicContact CG-CD2 4.12Å; Y319-F391 AromaticContact CZ-CD2 3.86Å; Y319-T394 PolarHBondContact O-OG1 3.41Å; Y319-T394 VanDerWaalsContact O-OG1 3.04Å |
| 320 | D | 93.1 | Very high | 89.4 | Confident | 48 Ų | 48 | 17.1 Ų | 17.1 | 26% | 0.257 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -61.8 | -46 | 170.7 | -72.7 | -26.7 | 0 | 0 | 0 | 111.3 | A316 L317 L322 T323 S324 K390 | A316-D320 PolarHBondContact O-N 2.88Å; A316-D320 VanDerWaalsContact O-N 3.09Å; L317-D320 PolarHBondContact O-N 3.1Å; D320-L322 PolarHBondContact O-N 2.89Å; D320-T323 WeakPolarHBondContact O-CA 3.36Å; D320-T323 WeakPolarHBondContact O-CB 3.26Å; D320-T323 PolarHBondContact O-N 3.13Å; D320-T323 VanDerWaalsContact O-N 3.12Å; D320-S324 PolarHBondContact O-N 3.04Å; D320-S324 PolarHBondContact O-OG 2.67Å; D320-S324 VanDerWaalsContact O-OG 3.1Å; D320-K390 WeakPolarHBondContact OD1-CD 3.44Å; D320-K390 WeakPolarHBondContact OD1-CG 3.06Å; D320-K390 VanDerWaalsContact OD2-CD 3.32Å; D320-K390 WeakPolarHBondContact OD2-CD 3.41Å; D320-K390 WeakPolarHBondContact OD2-CE 3.42Å; D320-K390 IonicContact OD2-NZ 3.37Å; D320-K390 PolarHBondContact OD2-NZ 2.91Å |
| 321 | G | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L317 V318 S324 L325 | L317-G321 PolarHBondContact O-N 3.39Å; V318-G321 PolarHBondContact O-N 2.82Å; G321-S324 PolarHBondContact O-N 3.5Å; G321-L325 WeakPolarHBondContact O-CG 3.39Å; G321-L325 PolarHBondContact O-N 3.06Å |
| 322 | L | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65 | -43 | 172.2 | -74.9 | 169.2 | 0 | 0 | 0 | 111.2 | F296 V318 Y319 D320 S324 L325 F326 L335 T394 | F296-L322 HydrophobicContact CD2-CD2 3.82Å; F296-L322 HydrophobicContact CD2-CG 3.92Å; F296-L322 HydrophobicContact CE2-CD2 4.47Å; F296-L322 HydrophobicContact CE2-CG 4.41Å; V318-L322 HydrophobicContact CG1-CD1 3.98Å; V318-L322 HydrophobicContact CG1-CG 4.26Å; V318-L322 WeakPolarHBondContact O-CB 3.42Å; V318-L322 WeakPolarHBondContact O-CG 3.45Å; V318-L322 PolarHBondContact O-N 3.01Å; Y319-L322 HydrophobicContact CD1-CD1 4.47Å; Y319-L322 PolarHBondContact O-N 3.15Å; D320-L322 PolarHBondContact O-N 2.89Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-S324 PolarHBondContact O-N 3.43Å; L322-L325 PolarHBondContact O-N 3.42Å; L322-F326 VanDerWaalsContact O-CD2 3.24Å; L322-F326 WeakPolarHBondContact O-CD2 3.42Å; L322-F326 PolarHBondContact O-N 3.18Å; L322-L335 HydrophobicContact CD2-CD1 3.76Å; L322-L335 HydrophobicContact CD2-CD2 3.93Å; L322-T394 HydrophobicContact CB-CG2 3.72Å |
| 323 | T | 92.7 | Very high | 90.1 | Very high | 22 Ų | 22 | 20 Ų | 20 | 14% | 0.135 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 176.2 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | Y319 D320 F326 T327 T394 A397 | Y319-T323 WeakPolarHBondContact O-CB 3.32Å; Y319-T323 PolarHBondContact O-N 2.75Å; Y319-T323 PolarHBondContact O-OG1 3.17Å; D320-T323 WeakPolarHBondContact O-CA 3.36Å; D320-T323 WeakPolarHBondContact O-CB 3.26Å; D320-T323 PolarHBondContact O-N 3.13Å; D320-T323 VanDerWaalsContact O-N 3.12Å; T323-F326 PolarHBondContact O-N 2.81Å; T323-T327 VanDerWaalsContact O-CB 3.31Å; T323-T327 WeakPolarHBondContact O-CB 3.2Å; T323-T327 PolarHBondContact O-N 2.9Å; T323-T327 PolarHBondContact O-OG1 3.03Å; T323-T394 VanDerWaalsContact OG1-CA 3.31Å; T323-T394 WeakPolarHBondContact OG1-CA 2.95Å; T323-T394 WeakPolarHBondContact OG1-CB 3.46Å; T323-T394 PolarHBondContact OG1-N 3.42Å; T323-T394 PolarHBondContact OG1-OG1 3.44Å; T323-A397 HydrophobicContact CG2-CB 3.98Å |
| 324 | S | 92.6 | Very high | 90 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 175 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | T275 D320 G321 L322 F326 T327 Y328 | T275-S324 WeakPolarHBondContact CG2-OG 3.31Å; D320-S324 PolarHBondContact O-N 3.04Å; D320-S324 PolarHBondContact O-OG 2.67Å; D320-S324 VanDerWaalsContact O-OG 3.1Å; G321-S324 PolarHBondContact O-N 3.5Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-S324 PolarHBondContact O-N 3.43Å; S324-F326 PolarHBondContact O-N 3.08Å; S324-T327 PolarHBondContact O-N 3.04Å; S324-Y328 WeakPolarHBondContact O-CD2 3.49Å; S324-Y328 PolarHBondContact O-N 3.26Å |
| 325 | L | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 175.3 | -73.7 | 171.6 | 0 | 0 | 0 | 112.1 | I278 F285 I292 F296 G321 L322 L329 L335 | I278-L325 HydrophobicContact CD1-CD2 3.6Å; I278-L325 HydrophobicContact CD1-CG 4Å; I278-L325 HydrophobicContact CG1-CD2 4.07Å; I278-L325 HydrophobicContact CG2-CD2 4.24Å; F285-L325 HydrophobicContact CD1-CD2 4.25Å; F285-L325 HydrophobicContact CE1-CD2 4.09Å; I292-L325 HydrophobicContact CG2-CD1 3.95Å; I292-L325 HydrophobicContact CG2-CD2 4.2Å; F296-L325 HydrophobicContact CD2-CD1 4.1Å; F296-L325 HydrophobicContact CE2-CD1 3.6Å; F296-L325 HydrophobicContact CE2-CG 4.46Å; G321-L325 WeakPolarHBondContact O-CG 3.39Å; G321-L325 PolarHBondContact O-N 3.06Å; L322-L325 PolarHBondContact O-N 3.42Å; L325-L329 HydrophobicContact CD2-CD1 3.77Å; L325-L329 WeakPolarHBondContact O-CB 3.42Å; L325-L329 PolarHBondContact O-N 2.8Å; L325-L335 HydrophobicContact CB-CD1 4.07Å; L325-L335 HydrophobicContact CD1-CD1 4.16Å |
| 326 | F | 88.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 175.5 | -78.7 | -69.7 | 0 | 0 | 0 | 112.7 | L322 T323 S324 G330 L335 I342 T394 A397 I398 V402 | L322-F326 VanDerWaalsContact O-CD2 3.24Å; L322-F326 WeakPolarHBondContact O-CD2 3.42Å; L322-F326 PolarHBondContact O-N 3.18Å; T323-F326 PolarHBondContact O-N 2.81Å; S324-F326 PolarHBondContact O-N 3.08Å; F326-G330 VanDerWaalsContact O-CA 3.25Å; F326-G330 WeakPolarHBondContact O-CA 3.43Å; F326-G330 PolarHBondContact O-N 2.9Å; F326-L335 HydrophobicContact CD2-CD1 4.09Å; F326-L335 HydrophobicContact CE1-CB 3.63Å; F326-L335 HydrophobicContact CE1-CD1 4.42Å; F326-L335 HydrophobicContact CE2-CB 3.83Å; F326-L335 HydrophobicContact CE2-CD1 3.61Å; F326-L335 HydrophobicContact CE2-CG 4.3Å; F326-L335 HydrophobicContact CZ-CB 3.15Å; F326-L335 HydrophobicContact CZ-CD1 3.83Å; F326-L335 HydrophobicContact CZ-CG 4.09Å; F326-I342 HydrophobicContact CE2-CD1 4.46Å; F326-T394 HydrophobicContact CD2-CG2 4.38Å; F326-A397 HydrophobicContact CB-CB 4.12Å; F326-I398 HydrophobicContact CD1-CG1 4.03Å; F326-I398 HydrophobicContact CD2-CD1 4.11Å; F326-I398 HydrophobicContact CD2-CG1 3.49Å; F326-I398 VanDerWaalsContact CD2-CG1 3.49Å; F326-I398 HydrophobicContact CE1-CG1 3.8Å; F326-I398 HydrophobicContact CE2-CD1 3.49Å; F326-I398 VanDerWaalsContact CE2-CD1 3.49Å; F326-I398 HydrophobicContact CE2-CG1 3.25Å; F326-I398 HydrophobicContact CG-CG1 3.87Å; F326-I398 HydrophobicContact CZ-CD1 3.76Å; F326-I398 HydrophobicContact CZ-CG1 3.38Å; F326-V402 HydrophobicContact CD1-CG2 4.14Å; F326-V402 HydrophobicContact CE1-CG2 3.79Å |
| 327 | T | 90.2 | Very high | 89.1 | Confident | 78 Ų | 78 | 32.7 Ų | 32.7 | 48% | 0.479 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.8 | -36 | -177.9 | -56.7 | 0 | 0 | 0 | 0 | 113 | T323 S324 | T323-T327 VanDerWaalsContact O-CB 3.31Å; T323-T327 WeakPolarHBondContact O-CB 3.2Å; T323-T327 PolarHBondContact O-N 2.9Å; T323-T327 PolarHBondContact O-OG1 3.03Å; S324-T327 PolarHBondContact O-N 3.04Å |
| 328 | Y | 90.7 | Very high | 88.5 | Confident | 95 Ų | 95 | 35.1 Ų | 35.1 | 37% | 0.373 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -98.4 | -16.5 | -176.8 | -65.7 | -62.9 | 0 | 0 | 0 | 114.9 | I278 A279 S324 | I278-Y328 HydrophobicContact CG2-CD2 3.79Å; I278-Y328 HydrophobicContact CG2-CG 4.23Å; A279-Y328 HydrophobicContact CB-CD2 4.27Å; A279-Y328 HydrophobicContact CB-CE1 4.01Å; A279-Y328 HydrophobicContact CB-CE2 3.64Å; A279-Y328 VanDerWaalsContact CB-CZ 3.49Å; S324-Y328 WeakPolarHBondContact O-CD2 3.49Å; S324-Y328 PolarHBondContact O-N 3.26Å |
| 329 | L | 90.3 | Very high | 88 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -127 | -15.9 | -178.3 | -63 | 119.9 | 0 | 0 | 0 | 114.8 | I278 K282 F285 A286 L325 A331 A332 | I278-L329 HydrophobicContact CG2-CD1 3.88Å; K282-L329 WeakPolarHBondContact O-CD2 3.41Å; F285-L329 HydrophobicContact CB-CD2 4.39Å; F285-L329 HydrophobicContact CD1-CD1 4.47Å; A286-L329 HydrophobicContact CB-CD2 3.69Å; L325-L329 HydrophobicContact CD2-CD1 3.77Å; L325-L329 WeakPolarHBondContact O-CB 3.42Å; L325-L329 PolarHBondContact O-N 2.8Å; L329-A331 PolarHBondContact O-N 2.83Å; L329-A332 HydrophobicContact CB-CB 4.46Å; L329-A332 VanDerWaalsContact O-CB 3.32Å; L329-A332 WeakPolarHBondContact O-CB 3.47Å; L329-A332 PolarHBondContact O-N 3.36Å |
| 330 | G | 87.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | 49.1 | -124.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | F326 A332 S333 | F326-G330 VanDerWaalsContact O-CA 3.25Å; F326-G330 WeakPolarHBondContact O-CA 3.43Å; F326-G330 PolarHBondContact O-N 2.9Å; G330-A332 VanDerWaalsContact C-N 3.29Å; G330-A332 PolarHBondContact O-N 3.48Å; G330-S333 WeakPolarHBondContact O-CB 3.45Å; G330-S333 PolarHBondContact O-N 3.03Å; G330-S333 PolarHBondContact O-OG 3.22Å |
| 331 | A | 86.7 | Confident | 86.8 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -60 | -32.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L329 S333 K334 H336 V402 L405 | L329-A331 PolarHBondContact O-N 2.83Å; A331-S333 PolarHBondContact O-N 3.02Å; A331-S333 VanDerWaalsContact O-N 3.15Å; A331-K334 PolarHBondContact O-N 2.91Å; A331-H336 PolarHBondContact O-CE1 3.14Å; A331-V402 HydrophobicContact CB-CG1 4.05Å; A331-L405 HydrophobicContact CB-CD1 3.74Å |
| 332 | A | 87 | Confident | 86 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -65.7 | -18.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L283 A286 L329 G330 K334 | L283-A332 HydrophobicContact CD2-CB 4.29Å; A286-A332 HydrophobicContact CB-CB 4.25Å; L329-A332 HydrophobicContact CB-CB 4.46Å; L329-A332 VanDerWaalsContact O-CB 3.32Å; L329-A332 WeakPolarHBondContact O-CB 3.47Å; L329-A332 PolarHBondContact O-N 3.36Å; G330-A332 VanDerWaalsContact C-N 3.29Å; G330-A332 PolarHBondContact O-N 3.48Å; A332-K334 PolarHBondContact O-N 3.02Å |
| 333 | S | 85 | Confident | 85.3 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -62 | -22.8 | 170.3 | 69 | 0 | 0 | 0 | 0 | 113.8 | G330 A331 L335 | G330-S333 WeakPolarHBondContact O-CB 3.45Å; G330-S333 PolarHBondContact O-N 3.03Å; G330-S333 PolarHBondContact O-OG 3.22Å; A331-S333 PolarHBondContact O-N 3.02Å; A331-S333 VanDerWaalsContact O-N 3.15Å; S333-L335 PolarHBondContact O-N 3.44Å; S333-L335 PolarHBondContact OG-N 3.05Å |
| 334 | K | 84.2 | Confident | 84.6 | Confident | 145 Ų | 145 | 47.4 Ų | 47.4 | 63% | 0.63 | 25% | 0.245 | S | C | * | . | trans | 54.2 | 13.6 | -170.3 | -60 | -171.4 | 178.5 | -172.6 | 0 | 115 | A331 A332 H336 L337 | A331-K334 PolarHBondContact O-N 2.91Å; A332-K334 PolarHBondContact O-N 3.02Å; K334-H336 VanDerWaalsContact C-N 3.26Å; K334-H336 PolarHBondContact O-N 3.4Å; K334-L337 HydrophobicContact CB-CD1 4.21Å; K334-L337 WeakPolarHBondContact O-CB 3.37Å; K334-L337 PolarHBondContact O-N 3.07Å | ||
| 335 | L | 83.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -68.2 | -21.7 | -179.1 | -85.9 | 165.4 | 0 | 0 | 0 | 113.6 | C293 F297 L322 L325 F326 S333 L337 K338 F339 | C293-L335 HydrophobicContact CB-CD2 3.82Å; C293-L335 WeakPolarHBondContact SG-CD2 3.46Å; C293-L335 VanDerWaalsContact SG-CG 3.52Å; F297-L335 HydrophobicContact CE2-CD2 4.07Å; F297-L335 HydrophobicContact CZ-CD2 4.45Å; L322-L335 HydrophobicContact CD2-CD1 3.76Å; L322-L335 HydrophobicContact CD2-CD2 3.93Å; L325-L335 HydrophobicContact CB-CD1 4.07Å; L325-L335 HydrophobicContact CD1-CD1 4.16Å; F326-L335 HydrophobicContact CD2-CD1 4.09Å; F326-L335 HydrophobicContact CE1-CB 3.63Å; F326-L335 HydrophobicContact CE1-CD1 4.42Å; F326-L335 HydrophobicContact CE2-CB 3.83Å; F326-L335 HydrophobicContact CE2-CD1 3.61Å; F326-L335 HydrophobicContact CE2-CG 4.3Å; F326-L335 HydrophobicContact CZ-CB 3.15Å; F326-L335 HydrophobicContact CZ-CD1 3.83Å; F326-L335 HydrophobicContact CZ-CG 4.09Å; S333-L335 PolarHBondContact O-N 3.44Å; S333-L335 PolarHBondContact OG-N 3.05Å; L335-L337 PolarHBondContact O-N 3.29Å; L335-K338 CarbonylContact O-C 3.41Å; L335-K338 WeakPolarHBondContact O-CA 3.29Å; L335-K338 PolarHBondContact O-N 2.88Å; L335-F339 PolarHBondContact O-N 3.48Å |
| 336 | H | 82 | Confident | 82.7 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 11% | 0.111 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -58.2 | -32 | 171.8 | 55.4 | -94.7 | 0 | 0 | 0 | 112.1 | A331 K334 K338 F339 V402 L405 L406 | A331-H336 PolarHBondContact O-CE1 3.14Å; K334-H336 VanDerWaalsContact C-N 3.26Å; K334-H336 PolarHBondContact O-N 3.4Å; H336-K338 PolarHBondContact O-N 3.27Å; H336-F339 VanDerWaalsContact O-CB 3.25Å; H336-F339 WeakPolarHBondContact O-CB 3.41Å; H336-F339 PolarHBondContact O-N 3.32Å; H336-V402 HydrophobicContact CB-CB 4.41Å; H336-V402 HydrophobicContact CB-CG2 4.22Å; H336-L405 HydrophobicContact CB-CB 4.44Å; H336-L406 HydrophobicContact CB-CD2 3.98Å |
| 337 | L | 82.7 | Confident | 81.9 | Confident | 129 Ų | 129 | 53 Ų | 53 | 68% | 0.675 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -69.6 | -13.5 | 174.6 | -54.1 | 178.8 | 0 | 0 | 0 | 113.6 | K334 L335 | K334-L337 HydrophobicContact CB-CD1 4.21Å; K334-L337 WeakPolarHBondContact O-CB 3.37Å; K334-L337 PolarHBondContact O-N 3.07Å; L335-L337 PolarHBondContact O-N 3.29Å |
| 338 | K | 81.2 | Confident | 81.2 | Confident | 67 Ų | 67 | 52.2 Ų | 52.2 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -113.2 | 17.5 | 174.7 | -63.9 | -169.1 | 176.6 | -177.4 | 0 | 112.2 | F297 L335 H336 Q340 D341 | F297-K338 HydrophobicContact CD2-CD 4.37Å; F297-K338 HydrophobicContact CE2-CB 4.17Å; F297-K338 HydrophobicContact CE2-CD 3.96Å; F297-K338 HydrophobicContact CZ-CB 4.38Å; L335-K338 CarbonylContact O-C 3.41Å; L335-K338 WeakPolarHBondContact O-CA 3.29Å; L335-K338 PolarHBondContact O-N 2.88Å; H336-K338 PolarHBondContact O-N 3.27Å; K338-Q340 PolarHBondContact O-N 3.46Å; K338-Q340 VanDerWaalsContact O-N 3.17Å; K338-D341 WeakPolarHBondContact O-CB 3.47Å; K338-D341 PolarHBondContact O-N 3.42Å; K338-D341 VanDerWaalsContact O-N 3.08Å |
| 339 | F | 80.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -26.4 | -173.7 | -170.3 | -109.2 | 0 | 0 | 0 | 113.2 | L335 H336 I342 L343 L395 I398 L406 L414 | L335-F339 PolarHBondContact O-N 3.48Å; H336-F339 VanDerWaalsContact O-CB 3.25Å; H336-F339 WeakPolarHBondContact O-CB 3.41Å; H336-F339 PolarHBondContact O-N 3.32Å; F339-I342 HydrophobicContact CD2-CB 4.21Å; F339-I342 HydrophobicContact CD2-CD1 4.19Å; F339-I342 HydrophobicContact CE2-CB 4.27Å; F339-I342 HydrophobicContact CE2-CG2 4.2Å; F339-I342 WeakPolarHBondContact O-CB 3.42Å; F339-I342 PolarHBondContact O-N 3.34Å; F339-I342 VanDerWaalsContact O-N 3.13Å; F339-L343 HydrophobicContact CD1-CD1 4.03Å; F339-L343 HydrophobicContact CD1-CG 3.95Å; F339-L343 HydrophobicContact CE1-CD1 3.75Å; F339-L343 HydrophobicContact CE1-CD2 3.64Å; F339-L343 HydrophobicContact CE1-CG 3.47Å; F339-L343 VanDerWaalsContact CE1-CG 3.47Å; F339-L343 HydrophobicContact CZ-CD2 3.8Å; F339-L343 HydrophobicContact CZ-CG 3.94Å; F339-L343 PolarHBondContact O-N 3.38Å; F339-L395 HydrophobicContact CE2-CD2 4.2Å; F339-L395 HydrophobicContact CZ-CD2 4.15Å; F339-I398 HydrophobicContact CD2-CD1 4.06Å; F339-I398 HydrophobicContact CD2-CG2 4.13Å; F339-I398 HydrophobicContact CE2-CD1 3.72Å; F339-I398 HydrophobicContact CE2-CG2 3.94Å; F339-L406 HydrophobicContact CB-CD2 4.05Å; F339-L406 HydrophobicContact CD1-CD1 4.12Å; F339-L406 HydrophobicContact CD1-CD2 4.07Å; F339-L406 HydrophobicContact CD1-CG 4.49Å; F339-L406 HydrophobicContact CD2-CD2 4.08Å; F339-L406 HydrophobicContact CE1-CD1 3.97Å; F339-L406 HydrophobicContact CG-CD1 4.46Å; F339-L406 HydrophobicContact CG-CD2 3.76Å; F339-L406 HydrophobicContact CZ-CD1 4.24Å; F339-L414 HydrophobicContact CE1-CD1 3.82Å; F339-L414 HydrophobicContact CE1-CD2 4.41Å; F339-L414 HydrophobicContact CE1-CG 4.09Å; F339-L414 HydrophobicContact CZ-CD1 3.57Å; F339-L414 HydrophobicContact CZ-CD2 3.97Å; F339-L414 HydrophobicContact CZ-CG 4.01Å |
| 340 | Q | 80.6 | Confident | 79.2 | Confident | 158 Ų | 158 | 48 Ų | 48 | 74% | 0.738 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65 | -35.7 | 174.1 | -166 | 174.6 | 9 | 0 | 0 | 113.5 | K338 I342 L343 Q344 | K338-Q340 PolarHBondContact O-N 3.46Å; K338-Q340 VanDerWaalsContact O-N 3.17Å; Q340-I342 VanDerWaalsContact C-N 3.26Å; Q340-I342 PolarHBondContact O-N 3.41Å; Q340-L343 PolarHBondContact O-N 2.99Å; Q340-Q344 PolarHBondContact O-N 3.27Å |
| 341 | D | 78.9 | Confident | 78.3 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 171.5 | -77.4 | -52.5 | 0 | 0 | 0 | 110.4 | F297 K301 K338 I345 | F297-D341 HydrophobicContact CD1-CB 4.18Å; F297-D341 HydrophobicContact CE1-CB 3.68Å; F297-D341 HydrophobicContact CZ-CB 3.96Å; K301-D341 IonicContact NZ-OD1 2.78Å; K338-D341 WeakPolarHBondContact O-CB 3.47Å; K338-D341 PolarHBondContact O-N 3.42Å; K338-D341 VanDerWaalsContact O-N 3.08Å; D341-I345 WeakPolarHBondContact O-CG1 3.49Å; D341-I345 PolarHBondContact O-N 2.96Å |
| 342 | I | 76.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.6 | -37.9 | 179 | -53.9 | 179.7 | 0 | 0 | 0 | 110.6 | F297 F326 F339 Q340 I345 L346 F391 I398 | F297-I342 HydrophobicContact CE1-CG1 3.9Å; F297-I342 HydrophobicContact CZ-CD1 4.21Å; F297-I342 HydrophobicContact CZ-CG1 3.66Å; F326-I342 HydrophobicContact CE2-CD1 4.46Å; F339-I342 HydrophobicContact CD2-CB 4.21Å; F339-I342 HydrophobicContact CD2-CD1 4.19Å; F339-I342 HydrophobicContact CE2-CB 4.27Å; F339-I342 HydrophobicContact CE2-CG2 4.2Å; F339-I342 WeakPolarHBondContact O-CB 3.42Å; F339-I342 PolarHBondContact O-N 3.34Å; F339-I342 VanDerWaalsContact O-N 3.13Å; Q340-I342 VanDerWaalsContact C-N 3.26Å; Q340-I342 PolarHBondContact O-N 3.41Å; I342-I345 PolarHBondContact O-N 2.76Å; I342-L346 PolarHBondContact O-N 3.13Å; I342-F391 HydrophobicContact CG2-CE2 3.74Å; I342-F391 HydrophobicContact CG2-CZ 4.01Å; I342-I398 HydrophobicContact CD1-CD1 4.16Å |
| 343 | L | 76.8 | Confident | 76.2 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.6 | -36.3 | 175.6 | -78.5 | -177 | 0 | 0 | 0 | 113.8 | F339 Q340 I345 L346 Q347 S410 M413 L414 | F339-L343 HydrophobicContact CD1-CD1 4.03Å; F339-L343 HydrophobicContact CD1-CG 3.95Å; F339-L343 HydrophobicContact CE1-CD1 3.75Å; F339-L343 HydrophobicContact CE1-CD2 3.64Å; F339-L343 HydrophobicContact CE1-CG 3.47Å; F339-L343 VanDerWaalsContact CE1-CG 3.47Å; F339-L343 HydrophobicContact CZ-CD2 3.8Å; F339-L343 HydrophobicContact CZ-CG 3.94Å; F339-L343 PolarHBondContact O-N 3.38Å; Q340-L343 PolarHBondContact O-N 2.99Å; L343-I345 VanDerWaalsContact C-N 3.27Å; L343-I345 PolarHBondContact O-N 3.07Å; L343-L346 HydrophobicContact CD2-CD1 3.94Å; L343-L346 WeakPolarHBondContact O-CB 3.46Å; L343-L346 PolarHBondContact O-N 3.27Å; L343-Q347 WeakPolarHBondContact O-CG 3.42Å; L343-Q347 PolarHBondContact O-N 3.02Å; L343-S410 WeakPolarHBondContact CD1-OG 3.37Å; L343-M413 HydrophobicContact CD1-SD 4.32Å; L343-L414 HydrophobicContact CD2-CD2 3.48Å; L343-L414 VanDerWaalsContact CD2-CD2 3.48Å; L343-L414 HydrophobicContact CD2-CG 4.04Å |
| 344 | Q | 79.1 | Confident | 75.2 | Confident | 108 Ų | 108 | 49 Ų | 49 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -42 | 175 | -171.9 | 174.9 | 25 | 0 | 0 | 110.6 | Q340 Q347 E348 | Q340-Q344 PolarHBondContact O-N 3.27Å; Q344-Q347 PolarHBondContact O-N 3.2Å; Q344-E348 PolarHBondContact O-N 2.96Å |
| 345 | I | 75.1 | Confident | 74.3 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.7 | -36.3 | 178.2 | -61.2 | 173.8 | 0 | 0 | 0 | 111.1 | F297 L300 Y319 D341 I342 L343 Q347 E348 E349 | F297-I345 HydrophobicContact CD1-CD1 4.43Å; L300-I345 HydrophobicContact CB-CD1 4.31Å; L300-I345 HydrophobicContact CD1-CD1 3.84Å; Y319-I345 HydrophobicContact CE1-CG2 4.33Å; Y319-I345 WeakPolarHBondContact OH-CG2 3.21Å; D341-I345 WeakPolarHBondContact O-CG1 3.49Å; D341-I345 PolarHBondContact O-N 2.96Å; I342-I345 PolarHBondContact O-N 2.76Å; L343-I345 VanDerWaalsContact C-N 3.27Å; L343-I345 PolarHBondContact O-N 3.07Å; I345-Q347 VanDerWaalsContact C-N 3.33Å; I345-Q347 PolarHBondContact O-N 3.12Å; I345-E348 PolarHBondContact O-N 2.97Å; I345-E349 HydrophobicContact CG2-CG 4.25Å; I345-E349 WeakPolarHBondContact O-CG 3.38Å; I345-E349 PolarHBondContact O-N 2.79Å |
| 346 | L | 69.5 | Low | 73.3 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -52.8 | -50.9 | 169.6 | -174.4 | 160.1 | 0 | 0 | 0 | 111.3 | I342 L343 E348 E349 M350 F391 L395 L414 F417 | I342-L346 PolarHBondContact O-N 3.13Å; L343-L346 HydrophobicContact CD2-CD1 3.94Å; L343-L346 WeakPolarHBondContact O-CB 3.46Å; L343-L346 PolarHBondContact O-N 3.27Å; L346-E348 VanDerWaalsContact C-N 3.3Å; L346-E348 PolarHBondContact O-N 2.6Å; L346-E349 PolarHBondContact O-N 2.75Å; L346-M350 HydrophobicContact CD2-CB 4.32Å; L346-M350 HydrophobicContact CD2-CG 3.9Å; L346-M350 HydrophobicContact CG-CG 4.23Å; L346-M350 WeakPolarHBondContact O-CB 3.36Å; L346-M350 VanDerWaalsContact O-CG 3.24Å; L346-M350 WeakPolarHBondContact O-CG 3.4Å; L346-M350 PolarHBondContact O-N 3.21Å; L346-F391 HydrophobicContact CB-CE1 3.74Å; L346-F391 HydrophobicContact CB-CZ 3.57Å; L346-F391 HydrophobicContact CD1-CE1 3.72Å; L346-F391 HydrophobicContact CD1-CZ 3.99Å; L346-F391 HydrophobicContact CG-CE1 3.58Å; L346-F391 HydrophobicContact CG-CZ 3.93Å; L346-L395 HydrophobicContact CD1-CD1 3.82Å; L346-L395 HydrophobicContact CD1-CD2 4.28Å; L346-L414 HydrophobicContact CD1-CD2 3.41Å; L346-L414 VanDerWaalsContact CD1-CD2 3.41Å; L346-F417 HydrophobicContact CD1-CD1 4.48Å; L346-F417 HydrophobicContact CD2-CD1 4.36Å; L346-F417 HydrophobicContact CD2-CD2 4.18Å; L346-F417 HydrophobicContact CD2-CE1 4.45Å; L346-F417 HydrophobicContact CD2-CE2 4.26Å; L346-F417 HydrophobicContact CD2-CG 4.25Å; L346-F417 HydrophobicContact CD2-CZ 4.42Å |
| 347 | Q | 73.2 | Confident | 72.1 | Confident | 102 Ų | 102 | 49 Ų | 49 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -39.4 | -176.6 | -69.9 | 171.8 | 1.7 | 0 | 0 | 111.3 | L343 Q344 I345 S351 M413 | L343-Q347 WeakPolarHBondContact O-CG 3.42Å; L343-Q347 PolarHBondContact O-N 3.02Å; Q344-Q347 PolarHBondContact O-N 3.2Å; I345-Q347 VanDerWaalsContact C-N 3.33Å; I345-Q347 PolarHBondContact O-N 3.12Å; Q347-S351 WeakPolarHBondContact O-CB 3.2Å; Q347-S351 PolarHBondContact O-N 2.93Å; Q347-M413 PolarHBondContact NE2-SD 3.38Å |
| 348 | E | 74.3 | Confident | 71.1 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.1 | -53.1 | 175.8 | -68.7 | 179.4 | -159 | 0 | 0 | 111.9 | K305 Q344 I345 L346 M350 S351 I352 | K305-E348 VanDerWaalsContact CD-OE2 3.3Å; K305-E348 WeakPolarHBondContact CD-OE2 3.25Å; K305-E348 WeakPolarHBondContact CE-OE2 3.45Å; K305-E348 IonicContact NZ-OE1 2.64Å; K305-E348 PolarHBondContact NZ-OE1 3.4Å; K305-E348 IonicContact NZ-OE2 2.66Å; K305-E348 PolarHBondContact NZ-OE2 2.96Å; Q344-E348 PolarHBondContact O-N 2.96Å; I345-E348 PolarHBondContact O-N 2.97Å; L346-E348 VanDerWaalsContact C-N 3.3Å; L346-E348 PolarHBondContact O-N 2.6Å; E348-M350 VanDerWaalsContact C-N 3.32Å; E348-M350 PolarHBondContact O-N 3.04Å; E348-S351 PolarHBondContact O-N 3.37Å; E348-S351 PolarHBondContact O-OG 3.17Å; E348-I352 PolarHBondContact O-N 2.85Å |
| 349 | E | 71.9 | Confident | 69.8 | Low | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.019 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 179 | -62.1 | -78.8 | -145.3 | 0 | 0 | 112.5 | R315 Y319 I345 L346 I352 C353 V388 | R315-E349 WeakPolarHBondContact CD-OE1 3.27Å; R315-E349 IonicContact CZ-OE2 3.25Å; R315-E349 IonicContact NE-OE1 3.81Å; R315-E349 IonicContact NH1-OE1 2.82Å; R315-E349 PolarHBondContact NH1-OE1 3.2Å; R315-E349 IonicContact NH1-OE2 3.95Å; R315-E349 PolarHBondContact NH1-OE2 3.11Å; Y319-E349 WeakPolarHBondContact CE2-OE1 3.33Å; Y319-E349 PolarHBondContact OH-OE1 2.95Å; I345-E349 HydrophobicContact CG2-CG 4.25Å; I345-E349 WeakPolarHBondContact O-CG 3.38Å; I345-E349 PolarHBondContact O-N 2.79Å; L346-E349 PolarHBondContact O-N 2.75Å; E349-I352 WeakPolarHBondContact O-CB 3.21Å; E349-I352 PolarHBondContact O-N 2.87Å; E349-C353 PolarHBondContact O-N 3.44Å; E349-C353 VanDerWaalsContact O-N 3.13Å; E349-V388 HydrophobicContact CB-CG2 4.16Å |
| 350 | M | 66.4 | Low | 68.4 | Low | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -79.6 | -22.8 | -179.1 | -67.1 | -56.1 | -39.8 | 0 | 0 | 113.3 | L346 E348 I352 C353 A354 V388 F417 M421 | L346-M350 HydrophobicContact CD2-CB 4.32Å; L346-M350 HydrophobicContact CD2-CG 3.9Å; L346-M350 HydrophobicContact CG-CG 4.23Å; L346-M350 WeakPolarHBondContact O-CB 3.36Å; L346-M350 VanDerWaalsContact O-CG 3.24Å; L346-M350 WeakPolarHBondContact O-CG 3.4Å; L346-M350 PolarHBondContact O-N 3.21Å; E348-M350 VanDerWaalsContact C-N 3.32Å; E348-M350 PolarHBondContact O-N 3.04Å; M350-I352 VanDerWaalsContact C-N 3.32Å; M350-C353 HydrophobicContact CE-CB 3.77Å; M350-C353 HydrophobicContact SD-CB 4.48Å; M350-A354 VanDerWaalsContact O-CB 3.25Å; M350-A354 WeakPolarHBondContact O-CB 3.32Å; M350-A354 PolarHBondContact O-N 3.38Å; M350-V388 HydrophobicContact SD-CG1 3.78Å; M350-F417 HydrophobicContact CB-CE2 3.79Å; M350-F417 HydrophobicContact CB-CZ 4.27Å; M350-F417 HydrophobicContact CE-CE2 3.77Å; M350-F417 HydrophobicContact CE-CZ 3.67Å; M350-F417 HydrophobicContact CG-CE1 4.47Å; M350-F417 HydrophobicContact CG-CE2 3.49Å; M350-F417 VanDerWaalsContact CG-CE2 3.49Å; M350-F417 HydrophobicContact CG-CZ 3.45Å; M350-F417 VanDerWaalsContact CG-CZ 3.45Å; M350-F417 HydrophobicContact SD-CE2 4.08Å; M350-F417 HydrophobicContact SD-CZ 3.63Å; M350-M421 HydrophobicContact CE-CE 3.88Å; M350-M421 HydrophobicContact CE-CG 4.34Å; M350-M421 HydrophobicContact CE-SD 4.43Å |
| 351 | S | 68.9 | Low | 66.8 | Low | 59 Ų | 59 | 52.6 Ų | 52.6 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 166.4 | 76.7 | 0 | 0 | 0 | 0 | 111 | Q347 E348 A354 L355 | Q347-S351 WeakPolarHBondContact O-CB 3.2Å; Q347-S351 PolarHBondContact O-N 2.93Å; E348-S351 PolarHBondContact O-N 3.37Å; E348-S351 PolarHBondContact O-OG 3.17Å; S351-A354 PolarHBondContact O-N 3.37Å; S351-L355 WeakPolarHBondContact O-CB 3.46Å; S351-L355 VanDerWaalsContact O-CG 3.3Å; S351-L355 WeakPolarHBondContact O-CG 3.37Å; S351-L355 PolarHBondContact O-N 3.24Å |
| 352 | I | 65.7 | Low | 65.4 | Low | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 176.7 | -69.4 | 168.3 | 0 | 0 | 0 | 110.8 | E348 E349 M350 L355 W356 | E348-I352 PolarHBondContact O-N 2.85Å; E349-I352 WeakPolarHBondContact O-CB 3.21Å; E349-I352 PolarHBondContact O-N 2.87Å; M350-I352 VanDerWaalsContact C-N 3.32Å; I352-L355 PolarHBondContact O-N 3.11Å; I352-W356 PolarHBondContact O-N 3.41Å |
| 353 | C | 63.6 | Low | 64.1 | Low | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 175.2 | -89.6 | 0 | 0 | 0 | 0 | 113.4 | E349 M350 W356 L357 | E349-C353 PolarHBondContact O-N 3.44Å; E349-C353 VanDerWaalsContact O-N 3.13Å; M350-C353 HydrophobicContact CE-CB 3.77Å; M350-C353 HydrophobicContact SD-CB 4.48Å; C353-W356 PolarHBondContact O-N 3.32Å; C353-L357 WeakPolarHBondContact O-CD1 3.25Å; C353-L357 VanDerWaalsContact O-CG 3.22Å; C353-L357 WeakPolarHBondContact O-CG 3.39Å; C353-L357 PolarHBondContact O-N 2.89Å |
| 354 | A | 64.5 | Low | 62.6 | Low | 25 Ų | 25 | 63.1 Ų | 63.1 | 21% | 0.207 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | M350 S351 W356 L357 Q358 | M350-A354 VanDerWaalsContact O-CB 3.25Å; M350-A354 WeakPolarHBondContact O-CB 3.32Å; M350-A354 PolarHBondContact O-N 3.38Å; S351-A354 PolarHBondContact O-N 3.37Å; A354-W356 VanDerWaalsContact C-N 3.31Å; A354-W356 PolarHBondContact O-N 3.33Å; A354-L357 PolarHBondContact O-N 3.39Å; A354-Q358 WeakPolarHBondContact O-CB 3.3Å; A354-Q358 PolarHBondContact O-N 3.15Å; A354-Q358 VanDerWaalsContact O-N 3.09Å |
| 355 | L | 65.3 | Low | 61 | Low | 104 Ų | 104 | 66.4 Ų | 66.4 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 174.2 | -74.5 | 168.3 | 0 | 0 | 0 | 111.7 | S351 I352 Q358 R359 | S351-L355 WeakPolarHBondContact O-CB 3.46Å; S351-L355 VanDerWaalsContact O-CG 3.3Å; S351-L355 WeakPolarHBondContact O-CG 3.37Å; S351-L355 PolarHBondContact O-N 3.24Å; I352-L355 PolarHBondContact O-N 3.11Å; L355-Q358 PolarHBondContact O-N 3.4Å; L355-R359 WeakPolarHBondContact O-CB 3.29Å; L355-R359 PolarHBondContact O-N 3.14Å |
| 356 | W | 61.7 | Low | 59.6 | Low | 38 Ų | 38 | 74 Ų | 74 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 177.7 | -175 | 75.8 | 0 | 0 | 0 | 112.1 | I352 C353 A354 Q358 R359 N381 V436 I439 | I352-W356 PolarHBondContact O-N 3.41Å; C353-W356 PolarHBondContact O-N 3.32Å; A354-W356 VanDerWaalsContact C-N 3.31Å; A354-W356 PolarHBondContact O-N 3.33Å; W356-Q358 PolarHBondContact O-N 3.08Å; W356-R359 PolarHBondContact O-N 3.1Å; W356-N381 PolarHBondContact NE1-ND2 3.47Å; W356-N381 VanDerWaalsContact NE1-ND2 3.12Å; W356-V436 HydrophobicContact CH2-CB 4.19Å; W356-V436 HydrophobicContact CH2-CG1 3.97Å; W356-V436 HydrophobicContact CH2-CG2 3.96Å; W356-V436 HydrophobicContact CZ2-CG2 3.92Å; W356-V436 HydrophobicContact CZ3-CG1 4.46Å; W356-I439 HydrophobicContact CE3-CG2 4.44Å; W356-I439 HydrophobicContact CH2-CB 3.87Å; W356-I439 HydrophobicContact CH2-CD1 3.66Å; W356-I439 HydrophobicContact CH2-CG1 4.35Å; W356-I439 HydrophobicContact CH2-CG2 3.51Å; W356-I439 HydrophobicContact CZ2-CD1 3.87Å; W356-I439 HydrophobicContact CZ3-CB 4.25Å; W356-I439 HydrophobicContact CZ3-CG2 3.44Å; W356-I439 VanDerWaalsContact CZ3-CG2 3.44Å |
| 357 | L | 58.5 | Low | 58.5 | Low | 28 Ų | 28 | 78.6 Ų | 78.6 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.7 | -28.8 | 177 | -65.9 | 164.6 | 0 | 0 | 0 | 113.2 | C353 A354 M421 I428 | C353-L357 WeakPolarHBondContact O-CD1 3.25Å; C353-L357 VanDerWaalsContact O-CG 3.22Å; C353-L357 WeakPolarHBondContact O-CG 3.39Å; C353-L357 PolarHBondContact O-N 2.89Å; A354-L357 PolarHBondContact O-N 3.39Å; L357-M421 HydrophobicContact CD1-CE 3.64Å; L357-I428 HydrophobicContact CD2-CD1 3.48Å; L357-I428 VanDerWaalsContact CD2-CD1 3.48Å |
| 358 | Q | 60.9 | Low | 57.2 | Low | 116 Ų | 116 | 82.4 Ų | 82.4 | 54% | 0.542 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -86.2 | -32.8 | 178.9 | -174.7 | 174.6 | -10.4 | 0 | 0 | 113.1 | A354 L355 W356 E360 S361 | A354-Q358 WeakPolarHBondContact O-CB 3.3Å; A354-Q358 PolarHBondContact O-N 3.15Å; A354-Q358 VanDerWaalsContact O-N 3.09Å; L355-Q358 PolarHBondContact O-N 3.4Å; W356-Q358 PolarHBondContact O-N 3.08Å; Q358-E360 VanDerWaalsContact C-N 3.27Å; Q358-E360 PolarHBondContact O-N 3Å; Q358-S361 PolarHBondContact O-N 2.91Å; Q358-S361 PolarHBondContact O-OG 3.01Å |
| 359 | R | 53.7 | Low | 56.1 | Low | 195 Ų | 195 | 83 Ų | 83 | 74% | 0.736 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.9 | -22.8 | -174.4 | -154.6 | 172.7 | -163.8 | 167.2 | 5.1 | 113.3 | L355 W356 T363 | L355-R359 WeakPolarHBondContact O-CB 3.29Å; L355-R359 PolarHBondContact O-N 3.14Å; W356-R359 PolarHBondContact O-N 3.1Å; R359-T363 WeakPolarHBondContact O-CB 3.33Å; R359-T363 WeakPolarHBondContact O-CG2 3.3Å; R359-T363 PolarHBondContact O-N 3.47Å; R359-T363 PolarHBondContact O-OG1 3.31Å |
| 360 | E | 52 | Low | 55 | Low | 50 Ų | 50 | 88 Ų | 88 | 23% | 0.234 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -83 | -33.5 | 177.7 | -69.9 | -176.2 | 147.4 | 0 | 0 | 113.3 | Q358 D362 T363 Q364 V436 | Q358-E360 VanDerWaalsContact C-N 3.27Å; Q358-E360 PolarHBondContact O-N 3Å; E360-D362 PolarHBondContact O-N 2.79Å; E360-T363 WeakPolarHBondContact CA-OG1 3.3Å; E360-T363 PolarHBondContact O-N 3.26Å; E360-T363 PolarHBondContact O-OG1 3.05Å; E360-Q364 WeakPolarHBondContact O-CG 3.41Å; E360-Q364 PolarHBondContact O-N 2.91Å; E360-V436 WeakPolarHBondContact OE1-CG2 3.3Å; E360-V436 VanDerWaalsContact OE2-CG1 3.24Å; E360-V436 WeakPolarHBondContact OE2-CG1 3.46Å; E360-V436 WeakPolarHBondContact OE2-CG2 3.47Å |
| 361 | S | 46.7 | Very low | 54.1 | Low | 70 Ų | 70 | 96.3 Ų | 96.3 | 49% | 0.49 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 173.4 | 55.6 | 0 | 0 | 0 | 0 | 112 | Q358 | Q358-S361 PolarHBondContact O-N 2.91Å; Q358-S361 PolarHBondContact O-OG 3.01Å |
| 362 | D | 49 | Very low | 53 | Low | 106 Ų | 106 | 101.6 Ų | 101.6 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.9 | -23.6 | -177.4 | -61.3 | -3 | 0 | 0 | 0 | 112.5 | E360 | E360-D362 PolarHBondContact O-N 2.79Å |
| 363 | T | 48.7 | Very low | 52 | Low | 64 Ų | 64 | 107.1 Ų | 107.1 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -96.2 | -18.5 | -175.3 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | R359 E360 H365 K366 | R359-T363 WeakPolarHBondContact O-CB 3.33Å; R359-T363 WeakPolarHBondContact O-CG2 3.3Å; R359-T363 PolarHBondContact O-N 3.47Å; R359-T363 PolarHBondContact O-OG1 3.31Å; E360-T363 WeakPolarHBondContact CA-OG1 3.3Å; E360-T363 PolarHBondContact O-N 3.26Å; E360-T363 PolarHBondContact O-OG1 3.05Å; T363-H365 PolarHBondContact O-N 2.84Å; T363-K366 PolarHBondContact O-N 3.3Å; T363-K366 VanDerWaalsContact O-N 3.1Å |
| 364 | Q | 45.2 | Very low | 51.3 | Low | 117 Ų | 117 | 109.9 Ų | 109.9 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.5 | 172.8 | -76.7 | -147.9 | -35 | 0 | 0 | 113.1 | E360 D431 | E360-Q364 WeakPolarHBondContact O-CG 3.41Å; E360-Q364 PolarHBondContact O-N 2.91Å; Q364-D431 PolarHBondContact NE2-O 2.69Å; Q364-D431 VanDerWaalsContact NE2-O 3.1Å |
| 365 | H | 45.5 | Very low | 50.2 | Low | 176 Ų | 176 | 116.3 Ų | 116.3 | 82% | 0.815 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -4.6 | -179.9 | -82 | -63.9 | 0 | 0 | 0 | 116.4 | T363 | T363-H365 PolarHBondContact O-N 2.84Š|
| 366 | K | 45.7 | Very low | 49.2 | Very low | 185 Ų | 185 | 117.7 Ų | 117.7 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.2 | -18.4 | -168.9 | -76.3 | -173.5 | 176.5 | 176.6 | 0 | 119.2 | T363 | T363-K366 PolarHBondContact O-N 3.3Å; T363-K366 VanDerWaalsContact O-N 3.1Å |
| 367 | L | 46.6 | Very low | 48.7 | Very low | 105 Ų | 105 | 118.5 Ų | 118.5 | 55% | 0.55 | 58% | 0.578 | S | S | . | * | trans | -130.5 | 68.9 | -170.1 | -75.5 | 171 | 0 | 0 | 0 | 115 | G369 | L367-G369 PolarHBondContact O-N 3.07Å; L367-G369 VanDerWaalsContact O-N 3.14Å | ||
| 368 | H | 47.4 | Very low | 48.4 | Very low | 182 Ų | 182 | 117.8 Ų | 117.8 | 84% | 0.843 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 2.9 | 175.5 | -145.5 | 82.3 | 0 | 0 | 0 | 114.7 | ||
| 369 | G | 50.7 | Low | 47.8 | Very low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | L367 | L367-G369 PolarHBondContact O-N 3.07Å; L367-G369 VanDerWaalsContact O-N 3.14Å |
| 370 | Q | 48 | Very low | 47.7 | Very low | 110 Ų | 110 | 111.3 Ų | 111.3 | 51% | 0.514 | 56% | 0.557 | S | S | . | * | trans | -119.4 | 52.2 | -170 | -73.8 | -171.3 | -28.7 | 0 | 0 | 114.6 | Q372 H373 | Q370-Q372 VanDerWaalsContact C-N 3.26Å; Q370-Q372 PolarHBondContact O-N 3Å; Q370-H373 PolarHBondContact O-N 2.71Å | ||
| 371 | R | 48.6 | Very low | 48.5 | Very low | 187 Ų | 187 | 110.2 Ų | 110.2 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.4 | -30.9 | -178.8 | -72.6 | -174.5 | 176.1 | -177 | -0.9 | 114.7 | I374 Y375 | R371-I374 PolarHBondContact O-N 3.24Å; R371-Y375 WeakPolarHBondContact O-CD2 3.44Å |
| 372 | Q | 44.6 | Very low | 49.8 | Very low | 170 Ų | 170 | 109.1 Ų | 109.1 | 79% | 0.794 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.2 | -36.6 | -178.8 | -74.9 | 173 | -31.1 | 0 | 0 | 113.6 | Q370 I374 Y375 | Q370-Q372 VanDerWaalsContact C-N 3.26Å; Q370-Q372 PolarHBondContact O-N 3Å; Q372-I374 VanDerWaalsContact C-N 3.26Å; Q372-I374 PolarHBondContact O-N 2.93Å; Q372-Y375 PolarHBondContact O-N 3.46Å |
| 373 | H | 45.6 | Very low | 51.1 | Low | 136 Ų | 136 | 106.5 Ų | 106.5 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.8 | -30.2 | 176.7 | -110.5 | -74.9 | 0 | 0 | 0 | 112.4 | Q370 S377 | Q370-H373 PolarHBondContact O-N 2.71Å; H373-S377 PolarHBondContact O-N 3.22Å |
| 374 | I | 48 | Very low | 52.6 | Low | 71 Ų | 71 | 104 Ų | 104 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 177.4 | -61.8 | 174.5 | 0 | 0 | 0 | 110.3 | R371 Q372 L376 S377 L378 | R371-I374 PolarHBondContact O-N 3.24Å; Q372-I374 VanDerWaalsContact C-N 3.26Å; Q372-I374 PolarHBondContact O-N 2.93Å; I374-L376 PolarHBondContact O-N 3.2Å; I374-S377 PolarHBondContact O-N 3.26Å; I374-S377 PolarHBondContact O-OG 2.65Å; I374-L378 HydrophobicContact CG2-CD1 3.84Å; I374-L378 WeakPolarHBondContact O-CB 3.45Å; I374-L378 WeakPolarHBondContact O-CD1 3.37Å; I374-L378 PolarHBondContact O-N 2.98Å |
| 375 | Y | 42.5 | Very low | 54.2 | Low | 160 Ų | 160 | 99.1 Ų | 99.1 | 63% | 0.627 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 179.9 | -82 | -79.1 | 0 | 0 | 0 | 113.9 | R371 Q372 L378 H379 | R371-Y375 WeakPolarHBondContact O-CD2 3.44Å; Q372-Y375 PolarHBondContact O-N 3.46Å; Y375-L378 WeakPolarHBondContact O-CB 3.45Å; Y375-L378 PolarHBondContact O-N 3.48Å; Y375-H379 PolarHBondContact O-N 3.06Å; Y375-H379 VanDerWaalsContact O-N 3.11Å |
| 376 | L | 44 | Very low | 56 | Low | 134 Ų | 134 | 93 Ų | 93 | 70% | 0.702 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -69.4 | -36.5 | 178.6 | -74.3 | 170.1 | 0 | 0 | 0 | 112.3 | I374 | I374-L376 PolarHBondContact O-N 3.2Å |
| 377 | S | 51 | Low | 57.9 | Low | 55 Ų | 55 | 84.2 Ų | 84.2 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 172.4 | 78.9 | 0 | 0 | 0 | 0 | 111.2 | H373 I374 H379 A380 N381 | H373-S377 PolarHBondContact O-N 3.22Å; I374-S377 PolarHBondContact O-N 3.26Å; I374-S377 PolarHBondContact O-OG 2.65Å; S377-H379 VanDerWaalsContact C-N 3.3Å; S377-H379 PolarHBondContact O-N 3.38Å; S377-A380 PolarHBondContact O-N 3Å; S377-A380 VanDerWaalsContact O-N 3.07Å; S377-N381 PolarHBondContact O-N 3.26Å; S377-N381 PolarHBondContact O-ND2 3.37Å; S377-N381 PolarHBondContact O-OD1 3.07Å |
| 378 | L | 51.7 | Low | 59.7 | Low | 13 Ų | 13 | 79.3 Ų | 79.3 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -51.7 | -45.2 | 175.7 | -105.7 | 58.5 | 0 | 0 | 0 | 112.3 | I374 Y375 A380 N381 V382 V435 | I374-L378 HydrophobicContact CG2-CD1 3.84Å; I374-L378 WeakPolarHBondContact O-CB 3.45Å; I374-L378 WeakPolarHBondContact O-CD1 3.37Å; I374-L378 PolarHBondContact O-N 2.98Å; Y375-L378 WeakPolarHBondContact O-CB 3.45Å; Y375-L378 PolarHBondContact O-N 3.48Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.09Å; L378-N381 CarbonylContact O-C 3.44Å; L378-N381 WeakPolarHBondContact O-CA 3.36Å; L378-N381 WeakPolarHBondContact O-CB 3.26Å; L378-N381 PolarHBondContact O-N 2.92Å; L378-V382 WeakPolarHBondContact O-CG2 3.19Å; L378-V382 PolarHBondContact O-N 3.29Å; L378-V435 HydrophobicContact CD2-CB 3.87Å; L378-V435 HydrophobicContact CD2-CG1 3.83Å; L378-V435 HydrophobicContact CD2-CG2 3.9Å; L378-V435 HydrophobicContact CG-CG1 4.09Å |
| 379 | H | 47.9 | Very low | 61.6 | Low | 143 Ų | 143 | 72 Ų | 72 | 66% | 0.662 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.3 | -33.9 | 179.8 | -110.6 | -68.1 | 0 | 0 | 0 | 113.7 | Y375 S377 N381 | Y375-H379 PolarHBondContact O-N 3.06Å; Y375-H379 VanDerWaalsContact O-N 3.11Å; S377-H379 VanDerWaalsContact C-N 3.3Å; S377-H379 PolarHBondContact O-N 3.38Å; H379-N381 VanDerWaalsContact C-N 3.34Å |
| 380 | A | 52.9 | Low | 63.5 | Low | 31 Ų | 31 | 70.5 Ų | 70.5 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.9 | -33.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S377 L378 Q384 | S377-A380 PolarHBondContact O-N 3Å; S377-A380 VanDerWaalsContact O-N 3.07Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.09Å; A380-Q384 VanDerWaalsContact C-NE2 3.35Å; A380-Q384 PolarHBondContact O-NE2 2.92Å |
| 381 | N | 67.6 | Low | 65.4 | Low | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.5 | -25.1 | -179.9 | -59.8 | -29.5 | 0 | 0 | 0 | 113.3 | W356 S377 L378 H379 Q384 H385 | W356-N381 PolarHBondContact NE1-ND2 3.47Å; W356-N381 VanDerWaalsContact NE1-ND2 3.12Å; S377-N381 PolarHBondContact O-N 3.26Å; S377-N381 PolarHBondContact O-ND2 3.37Å; S377-N381 PolarHBondContact O-OD1 3.07Å; L378-N381 CarbonylContact O-C 3.44Å; L378-N381 WeakPolarHBondContact O-CA 3.36Å; L378-N381 WeakPolarHBondContact O-CB 3.26Å; L378-N381 PolarHBondContact O-N 2.92Å; H379-N381 VanDerWaalsContact C-N 3.34Å; N381-Q384 PolarHBondContact O-N 3.28Å; N381-H385 WeakPolarHBondContact O-CB 3.31Å; N381-H385 PolarHBondContact O-N 3.25Å |
| 382 | V | 75.3 | Confident | 67.3 | Low | 48 Ų | 48 | 56.4 Ų | 56.4 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 179.3 | 165.7 | 0 | 0 | 0 | 0 | 112 | L378 Q384 H385 I386 | L378-V382 WeakPolarHBondContact O-CG2 3.19Å; L378-V382 PolarHBondContact O-N 3.29Å; V382-Q384 VanDerWaalsContact C-N 3.33Å; V382-Q384 PolarHBondContact O-N 3.38Å; V382-H385 PolarHBondContact O-N 3.33Å; V382-I386 HydrophobicContact CG1-CD1 3.84Å; V382-I386 WeakPolarHBondContact O-CG1 3.4Å; V382-I386 PolarHBondContact O-N 3.05Å |
| 383 | E | 76.4 | Confident | 69.5 | Low | 51 Ų | 51 | 53.5 Ų | 53.5 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 177.1 | -71.2 | -55.1 | 140.5 | 0 | 0 | 111.7 | S309 A312 H385 I386 S387 | S309-E383 WeakPolarHBondContact OG-CG 3.29Å; A312-E383 HydrophobicContact CB-CB 3.94Å; E383-H385 VanDerWaalsContact C-N 3.33Å; E383-H385 PolarHBondContact O-N 2.88Å; E383-I386 PolarHBondContact O-N 3.41Å; E383-S387 WeakPolarHBondContact O-CB 3.44Å; E383-S387 PolarHBondContact O-N 2.89Å |
| 384 | Q | 78.7 | Confident | 71.6 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 172.4 | -70.7 | 169.7 | 78 | 0 | 0 | 111.1 | H307 A312 A380 N381 V382 S387 V388 | H307-Q384 PolarHBondContact ND1-OE1 3.24Å; H307-Q384 PolarHBondContact O-NE2 2.71Å; A312-Q384 HydrophobicContact CB-CB 4.39Å; A312-Q384 HydrophobicContact CB-CG 3.86Å; A380-Q384 VanDerWaalsContact C-NE2 3.35Å; A380-Q384 PolarHBondContact O-NE2 2.92Å; N381-Q384 PolarHBondContact O-N 3.28Å; V382-Q384 VanDerWaalsContact C-N 3.33Å; V382-Q384 PolarHBondContact O-N 3.38Å; Q384-S387 WeakPolarHBondContact O-CB 3.43Å; Q384-S387 PolarHBondContact O-N 3.27Å; Q384-V388 WeakPolarHBondContact O-CG2 3.43Å; Q384-V388 PolarHBondContact O-N 2.87Å |
| 385 | H | 78.9 | Confident | 73.6 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 7% | 0.069 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.2 | -35.1 | 176.2 | 176 | -128 | 0 | 0 | 0 | 113.7 | N381 V382 E383 Q389 I439 K442 | N381-H385 WeakPolarHBondContact O-CB 3.31Å; N381-H385 PolarHBondContact O-N 3.25Å; V382-H385 PolarHBondContact O-N 3.33Å; E383-H385 VanDerWaalsContact C-N 3.33Å; E383-H385 PolarHBondContact O-N 2.88Å; H385-Q389 PolarHBondContact ND1-NE2 3.1Å; H385-Q389 PolarHBondContact NE2-NE2 3.48Å; H385-Q389 WeakPolarHBondContact O-CB 3.07Å; H385-Q389 WeakPolarHBondContact O-CG 3.48Å; H385-Q389 PolarHBondContact O-N 3.46Å; H385-I439 VanDerWaalsContact CE1-CG1 3.47Å; H385-I439 WeakPolarHBondContact CE1-CG1 3.22Å; H385-I439 WeakPolarHBondContact NE2-CA 3.42Å; H385-K442 WeakPolarHBondContact NE2-CB 3.36Å; H385-K442 WeakPolarHBondContact NE2-CD 3.31Å; H385-K442 WeakPolarHBondContact NE2-CG 3.28Å |
| 386 | I | 84.2 | Confident | 75.9 | Confident | 49 Ų | 49 | 38.6 Ų | 38.6 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65 | -44 | 172.8 | -70.3 | 165.7 | 0 | 0 | 0 | 110 | V382 E383 Q389 K390 | V382-I386 HydrophobicContact CG1-CD1 3.84Å; V382-I386 WeakPolarHBondContact O-CG1 3.4Å; V382-I386 PolarHBondContact O-N 3.05Å; E383-I386 PolarHBondContact O-N 3.41Å; I386-Q389 PolarHBondContact O-N 3.39Å; I386-K390 HydrophobicContact CG2-CD 4.06Å; I386-K390 WeakPolarHBondContact O-CG 3.35Å; I386-K390 PolarHBondContact O-N 2.78Å |
| 387 | S | 86 | Confident | 78.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.8 | -51.9 | 175.4 | -148 | 0 | 0 | 0 | 0 | 111.5 | A312 R315 A316 Y319 E383 Q384 Q389 K390 F391 | A312-S387 WeakPolarHBondContact O-CB 3.44Å; A312-S387 PolarHBondContact O-OG 3Å; R315-S387 WeakPolarHBondContact CB-OG 3.39Å; A316-S387 PolarHBondContact N-OG 2.67Å; A316-S387 VanDerWaalsContact N-OG 3.17Å; Y319-S387 WeakPolarHBondContact CD2-O 3.48Å; Y319-S387 WeakPolarHBondContact CE2-OG 3.39Å; E383-S387 WeakPolarHBondContact O-CB 3.44Å; E383-S387 PolarHBondContact O-N 2.89Å; Q384-S387 WeakPolarHBondContact O-CB 3.43Å; Q384-S387 PolarHBondContact O-N 3.27Å; S387-Q389 PolarHBondContact O-N 2.9Å; S387-K390 PolarHBondContact O-N 2.67Å; S387-F391 WeakPolarHBondContact O-CB 3.32Å; S387-F391 PolarHBondContact O-N 3.11Å |
| 388 | V | 84.2 | Confident | 80 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -36.1 | 178.5 | 171.1 | 0 | 0 | 0 | 0 | 112.4 | E349 M350 Q384 F391 L392 L443 | E349-V388 HydrophobicContact CB-CG2 4.16Å; M350-V388 HydrophobicContact SD-CG1 3.78Å; Q384-V388 WeakPolarHBondContact O-CG2 3.43Å; Q384-V388 PolarHBondContact O-N 2.87Å; V388-F391 PolarHBondContact O-N 3.34Å; V388-L392 WeakPolarHBondContact O-CG 3.32Å; V388-L392 PolarHBondContact O-N 2.92Å; V388-L443 HydrophobicContact CG1-CD1 3.97Å |
| 389 | Q | 87 | Confident | 81.8 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 13% | 0.131 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 172 | -86.9 | -177.8 | 73 | 0 | 0 | 112.6 | H385 I386 S387 L392 R393 | H385-Q389 PolarHBondContact ND1-NE2 3.1Å; H385-Q389 PolarHBondContact NE2-NE2 3.48Å; H385-Q389 WeakPolarHBondContact O-CB 3.07Å; H385-Q389 WeakPolarHBondContact O-CG 3.48Å; H385-Q389 PolarHBondContact O-N 3.46Å; I386-Q389 PolarHBondContact O-N 3.39Å; S387-Q389 PolarHBondContact O-N 2.9Å; Q389-L392 PolarHBondContact O-N 2.86Å; Q389-R393 WeakPolarHBondContact O-CG 3.49Å; Q389-R393 PolarHBondContact O-N 3.35Å; Q389-R393 VanDerWaalsContact O-N 3.08Å |
| 390 | K | 89.6 | Confident | 83.8 | Confident | 40 Ų | 40 | 24.9 Ų | 24.9 | 17% | 0.174 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 178.4 | -69.6 | 172 | 172.4 | -159.6 | 0 | 110.9 | A316 D320 I386 S387 L392 R393 T394 | A316-K390 HydrophobicContact CB-CD 3.71Å; A316-K390 WeakPolarHBondContact O-CD 3.29Å; D320-K390 WeakPolarHBondContact OD1-CD 3.44Å; D320-K390 WeakPolarHBondContact OD1-CG 3.06Å; D320-K390 VanDerWaalsContact OD2-CD 3.32Å; D320-K390 WeakPolarHBondContact OD2-CD 3.41Å; D320-K390 WeakPolarHBondContact OD2-CE 3.42Å; D320-K390 IonicContact OD2-NZ 3.37Å; D320-K390 PolarHBondContact OD2-NZ 2.91Å; I386-K390 HydrophobicContact CG2-CD 4.06Å; I386-K390 WeakPolarHBondContact O-CG 3.35Å; I386-K390 PolarHBondContact O-N 2.78Å; S387-K390 PolarHBondContact O-N 2.67Å; K390-L392 PolarHBondContact O-N 3.3Å; K390-R393 CarbonylContact O-C 3.44Å; K390-R393 WeakPolarHBondContact O-CA 3.46Å; K390-R393 WeakPolarHBondContact O-CB 3.16Å; K390-R393 PolarHBondContact O-N 3.28Å; K390-R393 VanDerWaalsContact O-N 3.1Å; K390-T394 PolarHBondContact O-N 3.17Å; K390-T394 PolarHBondContact O-OG1 2.97Å |
| 391 | F | 88.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 171.6 | -176.4 | -96.9 | 0 | 0 | 0 | 112.8 | Y319 I342 L346 S387 V388 R393 T394 L395 | Y319-F391 AromaticContact CD1-CD2 3.78Å; Y319-F391 HydrophobicContact CD1-CD2 3.78Å; Y319-F391 HydrophobicContact CD2-CB 3.67Å; Y319-F391 HydrophobicContact CD2-CD2 4.28Å; Y319-F391 HydrophobicContact CD2-CG 4.47Å; Y319-F391 AromaticContact CE1-CD2 3.66Å; Y319-F391 HydrophobicContact CE1-CD2 3.66Å; Y319-F391 HydrophobicContact CE1-CE2 4.34Å; Y319-F391 HydrophobicContact CE2-CB 3.87Å; Y319-F391 HydrophobicContact CE2-CD2 4.15Å; Y319-F391 HydrophobicContact CE2-CG 4.39Å; Y319-F391 HydrophobicContact CG-CB 4.05Å; Y319-F391 HydrophobicContact CG-CD2 4.12Å; Y319-F391 AromaticContact CZ-CD2 3.86Å; I342-F391 HydrophobicContact CG2-CE2 3.74Å; I342-F391 HydrophobicContact CG2-CZ 4.01Å; L346-F391 HydrophobicContact CB-CE1 3.74Å; L346-F391 HydrophobicContact CB-CZ 3.57Å; L346-F391 HydrophobicContact CD1-CE1 3.72Å; L346-F391 HydrophobicContact CD1-CZ 3.99Å; L346-F391 HydrophobicContact CG-CE1 3.58Å; L346-F391 HydrophobicContact CG-CZ 3.93Å; S387-F391 WeakPolarHBondContact O-CB 3.32Å; S387-F391 PolarHBondContact O-N 3.11Å; V388-F391 PolarHBondContact O-N 3.34Å; F391-R393 VanDerWaalsContact C-N 3.31Å; F391-R393 PolarHBondContact O-N 3.27Å; F391-T394 WeakPolarHBondContact O-CA 3.5Å; F391-T394 VanDerWaalsContact O-CB 3.24Å; F391-T394 WeakPolarHBondContact O-CB 3.48Å; F391-T394 PolarHBondContact O-N 3.19Å; F391-L395 HydrophobicContact CD1-CD1 4.41Å; F391-L395 HydrophobicContact CD1-CG 4.34Å; F391-L395 HydrophobicContact CE1-CD1 3.76Å; F391-L395 HydrophobicContact CE1-CD2 4.02Å; F391-L395 HydrophobicContact CE1-CG 3.75Å; F391-L395 HydrophobicContact CZ-CD1 4.46Å; F391-L395 HydrophobicContact CZ-CD2 3.88Å; F391-L395 HydrophobicContact CZ-CG 4.1Å; F391-L395 PolarHBondContact O-N 2.96Å |
| 392 | L | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -33.1 | 174.8 | -70.9 | -178.2 | 0 | 0 | 0 | 112.7 | V388 Q389 K390 T394 L395 E396 F417 L443 L447 V450 | V388-L392 WeakPolarHBondContact O-CG 3.32Å; V388-L392 PolarHBondContact O-N 2.92Å; Q389-L392 PolarHBondContact O-N 2.86Å; K390-L392 PolarHBondContact O-N 3.3Å; L392-T394 VanDerWaalsContact C-N 3.33Å; L392-L395 HydrophobicContact CD2-CD1 3.95Å; L392-L395 PolarHBondContact O-N 3.06Å; L392-E396 WeakPolarHBondContact O-CB 3.05Å; L392-E396 PolarHBondContact O-N 3.45Å; L392-F417 HydrophobicContact CD2-CE1 4.33Å; L392-L443 HydrophobicContact CD1-CD1 3.61Å; L392-L447 HydrophobicContact CD1-CD2 3.82Å; L392-L447 HydrophobicContact CD1-CG 3.88Å; L392-L447 HydrophobicContact CD2-CD2 3.92Å; L392-V450 HydrophobicContact CB-CG2 4.48Å; L392-V450 WeakPolarHBondContact O-CG2 3.15Å |
| 393 | R | 91.1 | Very high | 86.8 | Confident | 109 Ų | 109 | 23.6 Ų | 23.6 | 41% | 0.411 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -67.6 | -33.3 | 169.7 | -64.8 | 174.5 | -166.1 | 176.9 | 3.1 | 112 | Q389 K390 F391 E396 A397 | Q389-R393 WeakPolarHBondContact O-CG 3.49Å; Q389-R393 PolarHBondContact O-N 3.35Å; Q389-R393 VanDerWaalsContact O-N 3.08Å; K390-R393 CarbonylContact O-C 3.44Å; K390-R393 WeakPolarHBondContact O-CA 3.46Å; K390-R393 WeakPolarHBondContact O-CB 3.16Å; K390-R393 PolarHBondContact O-N 3.28Å; K390-R393 VanDerWaalsContact O-N 3.1Å; F391-R393 VanDerWaalsContact C-N 3.31Å; F391-R393 PolarHBondContact O-N 3.27Å; R393-E396 WeakPolarHBondContact O-CB 3.49Å; R393-E396 PolarHBondContact O-N 3.31Å; R393-A397 WeakPolarHBondContact O-CB 3.46Å; R393-A397 PolarHBondContact O-N 3.46Å |
| 394 | T | 89.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 170.9 | -41.8 | 0 | 0 | 0 | 0 | 110.3 | Y319 L322 T323 F326 K390 F391 L392 E396 A397 I398 | Y319-T394 PolarHBondContact O-OG1 3.41Å; Y319-T394 VanDerWaalsContact O-OG1 3.04Å; L322-T394 HydrophobicContact CB-CG2 3.72Å; T323-T394 VanDerWaalsContact OG1-CA 3.31Å; T323-T394 WeakPolarHBondContact OG1-CA 2.95Å; T323-T394 WeakPolarHBondContact OG1-CB 3.46Å; T323-T394 PolarHBondContact OG1-N 3.42Å; T323-T394 PolarHBondContact OG1-OG1 3.44Å; F326-T394 HydrophobicContact CD2-CG2 4.38Å; K390-T394 PolarHBondContact O-N 3.17Å; K390-T394 PolarHBondContact O-OG1 2.97Å; F391-T394 WeakPolarHBondContact O-CA 3.5Å; F391-T394 VanDerWaalsContact O-CB 3.24Å; F391-T394 WeakPolarHBondContact O-CB 3.48Å; F391-T394 PolarHBondContact O-N 3.19Å; L392-T394 VanDerWaalsContact C-N 3.33Å; T394-E396 PolarHBondContact O-N 3.04Å; T394-A397 PolarHBondContact O-N 3.02Å; T394-I398 HydrophobicContact CG2-CD1 4.05Å; T394-I398 WeakPolarHBondContact O-CB 3.27Å; T394-I398 WeakPolarHBondContact O-CG1 3.45Å; T394-I398 PolarHBondContact O-N 2.95Å |
| 395 | L | 89.1 | Confident | 87.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 173.7 | -65.2 | -173.7 | 0 | 0 | 0 | 112.6 | F339 L346 F391 L392 A397 I398 V399 L414 V450 | F339-L395 HydrophobicContact CE2-CD2 4.2Å; F339-L395 HydrophobicContact CZ-CD2 4.15Å; L346-L395 HydrophobicContact CD1-CD1 3.82Å; L346-L395 HydrophobicContact CD1-CD2 4.28Å; F391-L395 HydrophobicContact CD1-CD1 4.41Å; F391-L395 HydrophobicContact CD1-CG 4.34Å; F391-L395 HydrophobicContact CE1-CD1 3.76Å; F391-L395 HydrophobicContact CE1-CD2 4.02Å; F391-L395 HydrophobicContact CE1-CG 3.75Å; F391-L395 HydrophobicContact CZ-CD1 4.46Å; F391-L395 HydrophobicContact CZ-CD2 3.88Å; F391-L395 HydrophobicContact CZ-CG 4.1Å; F391-L395 PolarHBondContact O-N 2.96Å; L392-L395 HydrophobicContact CD2-CD1 3.95Å; L392-L395 PolarHBondContact O-N 3.06Å; L395-A397 VanDerWaalsContact C-N 3.34Å; L395-A397 PolarHBondContact O-N 2.88Å; L395-I398 PolarHBondContact O-N 2.78Å; L395-V399 WeakPolarHBondContact O-CG2 3.42Å; L395-V399 PolarHBondContact O-N 2.97Å; L395-L414 HydrophobicContact CD1-CD2 4.03Å; L395-L414 HydrophobicContact CD2-CD2 3.96Å; L395-V450 HydrophobicContact CB-CG1 4.31Å; L395-V450 HydrophobicContact CB-CG2 4.27Å |
| 396 | E | 92.1 | Very high | 88 | Confident | 52 Ų | 52 | 26.2 Ų | 26.2 | 24% | 0.243 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56 | -48.4 | 175.4 | -174.7 | -177.3 | 166.9 | 0 | 0 | 110.8 | L392 R393 T394 S400 R449 V450 | L392-E396 WeakPolarHBondContact O-CB 3.05Å; L392-E396 PolarHBondContact O-N 3.45Å; R393-E396 WeakPolarHBondContact O-CB 3.49Å; R393-E396 PolarHBondContact O-N 3.31Å; T394-E396 PolarHBondContact O-N 3.04Å; E396-S400 WeakPolarHBondContact O-CB 3.44Å; E396-S400 PolarHBondContact O-N 3.15Å; E396-S400 PolarHBondContact O-OG 2.98Å; E396-R449 HydrophobicContact CG-CB 4.14Å; E396-R449 WeakPolarHBondContact OE1-CB 3.41Å; E396-R449 WeakPolarHBondContact OE1-CD 3.45Å; E396-R449 WeakPolarHBondContact OE2-CB 3.38Å; E396-R449 VanDerWaalsContact OE2-CD 3.28Å; E396-R449 WeakPolarHBondContact OE2-CD 3.49Å; E396-V450 HydrophobicContact CB-CG2 4.1Å |
| 397 | A | 90.5 | Very high | 88.1 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | T323 F326 R393 T394 L395 N401 | T323-A397 HydrophobicContact CG2-CB 3.98Å; F326-A397 HydrophobicContact CB-CB 4.12Å; R393-A397 WeakPolarHBondContact O-CB 3.46Å; R393-A397 PolarHBondContact O-N 3.46Å; T394-A397 PolarHBondContact O-N 3.02Å; L395-A397 VanDerWaalsContact C-N 3.34Å; L395-A397 PolarHBondContact O-N 2.88Å; A397-N401 WeakPolarHBondContact O-CB 3.43Å; A397-N401 PolarHBondContact O-N 3.43Å; A397-N401 VanDerWaalsContact O-N 3.14Å; A397-N401 PolarHBondContact O-ND2 2.96Å |
| 398 | I | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -56.3 | 175.6 | -72.9 | 170.5 | 0 | 0 | 0 | 110.3 | F326 F339 I342 T394 L395 S400 N401 V402 G403 L406 | F326-I398 HydrophobicContact CD1-CG1 4.03Å; F326-I398 HydrophobicContact CD2-CD1 4.11Å; F326-I398 HydrophobicContact CD2-CG1 3.49Å; F326-I398 VanDerWaalsContact CD2-CG1 3.49Å; F326-I398 HydrophobicContact CE1-CG1 3.8Å; F326-I398 HydrophobicContact CE2-CD1 3.49Å; F326-I398 VanDerWaalsContact CE2-CD1 3.49Å; F326-I398 HydrophobicContact CE2-CG1 3.25Å; F326-I398 HydrophobicContact CG-CG1 3.87Å; F326-I398 HydrophobicContact CZ-CD1 3.76Å; F326-I398 HydrophobicContact CZ-CG1 3.38Å; F339-I398 HydrophobicContact CD2-CD1 4.06Å; F339-I398 HydrophobicContact CD2-CG2 4.13Å; F339-I398 HydrophobicContact CE2-CD1 3.72Å; F339-I398 HydrophobicContact CE2-CG2 3.94Å; I342-I398 HydrophobicContact CD1-CD1 4.16Å; T394-I398 HydrophobicContact CG2-CD1 4.05Å; T394-I398 WeakPolarHBondContact O-CB 3.27Å; T394-I398 WeakPolarHBondContact O-CG1 3.45Å; T394-I398 PolarHBondContact O-N 2.95Å; L395-I398 PolarHBondContact O-N 2.78Å; I398-S400 VanDerWaalsContact C-N 3.28Å; I398-S400 PolarHBondContact O-N 3.14Å; I398-N401 PolarHBondContact O-N 2.94Å; I398-V402 HydrophobicContact CG2-CG2 3.9Å; I398-V402 CarbonylContact O-C 3.53Å; I398-V402 WeakPolarHBondContact O-CA 3.46Å; I398-V402 WeakPolarHBondContact O-CG2 3.41Å; I398-V402 PolarHBondContact O-N 3.31Å; I398-G403 PolarHBondContact O-N 3.48Å; I398-L406 HydrophobicContact CG2-CD1 3.82Å; I398-L406 HydrophobicContact CG2-CD2 3.88Å; I398-L406 HydrophobicContact CG2-CG 4.35Å |
| 399 | V | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | -177.7 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | L395 N401 G403 L414 A453 F454 N457 | L395-V399 WeakPolarHBondContact O-CG2 3.42Å; L395-V399 PolarHBondContact O-N 2.97Å; V399-N401 PolarHBondContact O-N 3.23Å; V399-G403 WeakPolarHBondContact O-CA 3.47Å; V399-G403 PolarHBondContact O-N 2.84Å; V399-G403 VanDerWaalsContact O-N 3.12Å; V399-L414 HydrophobicContact CG2-CD1 4.32Å; V399-A453 HydrophobicContact CB-CB 3.94Å; V399-A453 VanDerWaalsContact CG1-C 3.48Å; V399-A453 HydrophobicContact CG1-CB 3.71Å; V399-F454 HydrophobicContact CB-CD1 4.42Å; V399-F454 HydrophobicContact CB-CE1 4.27Å; V399-F454 HydrophobicContact CG1-CD1 3.44Å; V399-F454 VanDerWaalsContact CG1-CD1 3.44Å; V399-F454 HydrophobicContact CG1-CE1 3.74Å; V399-F454 HydrophobicContact CG1-CG 4.09Å; V399-F454 HydrophobicContact CG2-CD1 4.04Å; V399-F454 HydrophobicContact CG2-CE1 3.43Å; V399-F454 VanDerWaalsContact CG2-CE1 3.43Å; V399-F454 HydrophobicContact CG2-CZ 3.77Å; V399-N457 VanDerWaalsContact O-CB 3.24Å; V399-N457 WeakPolarHBondContact O-CB 3.37Å |
| 400 | S | 90.1 | Very high | 88.1 | Confident | 48 Ų | 48 | 36 Ų | 36 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.5 | -23.4 | -178.4 | -56.6 | 0 | 0 | 0 | 0 | 115.1 | E396 I398 A453 N457 | E396-S400 WeakPolarHBondContact O-CB 3.44Å; E396-S400 PolarHBondContact O-N 3.15Å; E396-S400 PolarHBondContact O-OG 2.98Å; I398-S400 VanDerWaalsContact C-N 3.28Å; I398-S400 PolarHBondContact O-N 3.14Å; S400-A453 WeakPolarHBondContact OG-CB 3.44Å; S400-N457 PolarHBondContact O-ND2 3.09Å |
| 401 | N | 87.7 | Confident | 88 | Confident | 77 Ų | 77 | 34.1 Ų | 34.1 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -115.3 | -23.5 | -175.7 | -68.4 | -85.8 | 0 | 0 | 0 | 114.2 | A397 I398 V399 | A397-N401 WeakPolarHBondContact O-CB 3.43Å; A397-N401 PolarHBondContact O-N 3.43Å; A397-N401 VanDerWaalsContact O-N 3.14Å; A397-N401 PolarHBondContact O-ND2 2.96Å; I398-N401 PolarHBondContact O-N 2.94Å; V399-N401 PolarHBondContact O-N 3.23Å |
| 402 | V | 85.8 | Confident | 88 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -144.2 | 16.4 | -175.4 | -59.6 | 0 | 0 | 0 | 0 | 113.4 | F326 A331 H336 I398 S404 L405 L406 | F326-V402 HydrophobicContact CD1-CG2 4.14Å; F326-V402 HydrophobicContact CE1-CG2 3.79Å; A331-V402 HydrophobicContact CB-CG1 4.05Å; H336-V402 HydrophobicContact CB-CB 4.41Å; H336-V402 HydrophobicContact CB-CG2 4.22Å; I398-V402 HydrophobicContact CG2-CG2 3.9Å; I398-V402 CarbonylContact O-C 3.53Å; I398-V402 WeakPolarHBondContact O-CA 3.46Å; I398-V402 WeakPolarHBondContact O-CG2 3.41Å; I398-V402 PolarHBondContact O-N 3.31Å; V402-S404 VanDerWaalsContact C-N 3.25Å; V402-S404 PolarHBondContact O-N 3.33Å; V402-L405 HydrophobicContact CB-CB 4.4Å; V402-L405 HydrophobicContact CB-CD1 4.41Å; V402-L405 HydrophobicContact CG1-CD1 4.4Å; V402-L405 WeakPolarHBondContact O-CA 3.12Å; V402-L405 WeakPolarHBondContact O-CB 3.12Å; V402-L405 PolarHBondContact O-N 3.45Å; V402-L406 HydrophobicContact CG2-CD2 4.26Å; V402-L406 PolarHBondContact O-N 2.98Å |
| 403 | G | 84.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -55.6 | -36.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I398 V399 L405 Y411 | I398-G403 PolarHBondContact O-N 3.48Å; V399-G403 WeakPolarHBondContact O-CA 3.47Å; V399-G403 PolarHBondContact O-N 2.84Å; V399-G403 VanDerWaalsContact O-N 3.12Å; G403-L405 VanDerWaalsContact C-N 3.28Å; G403-L405 PolarHBondContact O-N 2.95Å; G403-Y411 WeakPolarHBondContact O-CD2 3.23Å |
| 404 | S | 85.4 | Confident | 87.5 | Confident | 59 Ų | 59 | 36 Ų | 36 | 41% | 0.413 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -74.4 | -9.6 | 175 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | V402 | V402-S404 VanDerWaalsContact C-N 3.25Å; V402-S404 PolarHBondContact O-N 3.33Å |
| 405 | L | 86.5 | Confident | 87.5 | Confident | 70 Ų | 70 | 36 Ų | 36 | 37% | 0.366 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -106.3 | 2.1 | 178.3 | -56.5 | 177.6 | 0 | 0 | 0 | 113.1 | A331 H336 V402 G403 | A331-L405 HydrophobicContact CB-CD1 3.74Å; H336-L405 HydrophobicContact CB-CB 4.44Å; V402-L405 HydrophobicContact CB-CB 4.4Å; V402-L405 HydrophobicContact CB-CD1 4.41Å; V402-L405 HydrophobicContact CG1-CD1 4.4Å; V402-L405 WeakPolarHBondContact O-CA 3.12Å; V402-L405 WeakPolarHBondContact O-CB 3.12Å; V402-L405 PolarHBondContact O-N 3.45Å; G403-L405 VanDerWaalsContact C-N 3.28Å; G403-L405 PolarHBondContact O-N 2.95Å |
| 406 | L | 86.5 | Confident | 87.3 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -78.9 | 149.5 | 172.7 | -57.3 | -172.1 | 0 | 0 | 0 | 110.3 | H336 F339 I398 V402 Y411 L414 H459 | H336-L406 HydrophobicContact CB-CD2 3.98Å; F339-L406 HydrophobicContact CB-CD2 4.05Å; F339-L406 HydrophobicContact CD1-CD1 4.12Å; F339-L406 HydrophobicContact CD1-CD2 4.07Å; F339-L406 HydrophobicContact CD1-CG 4.49Å; F339-L406 HydrophobicContact CD2-CD2 4.08Å; F339-L406 HydrophobicContact CE1-CD1 3.97Å; F339-L406 HydrophobicContact CG-CD1 4.46Å; F339-L406 HydrophobicContact CG-CD2 3.76Å; F339-L406 HydrophobicContact CZ-CD1 4.24Å; I398-L406 HydrophobicContact CG2-CD1 3.82Å; I398-L406 HydrophobicContact CG2-CD2 3.88Å; I398-L406 HydrophobicContact CG2-CG 4.35Å; V402-L406 HydrophobicContact CG2-CD2 4.26Å; V402-L406 PolarHBondContact O-N 2.98Å; L406-Y411 HydrophobicContact CD1-CD2 4.27Å; L406-L414 HydrophobicContact CD1-CD1 4.17Å; L406-H459 PolarHBondContact O-CD2 3.33Å; L406-H459 VanDerWaalsContact O-CD2 3.24Å; L406-H459 PolarHBondContact O-NE2 3.48Å; L406-H459 VanDerWaalsContact O-NE2 3.09Å |
| 407 | P | 86.9 | Confident | 87 | Confident | 60 Ų | 60 | 37.5 Ų | 37.5 | 39% | 0.39 | 21% | 0.207 | S | C | . | . | trans | -57 | 137.9 | 171.6 | -22.8 | 32.9 | 0 | 0 | 0 | 111.3 | E409 S410 Y411 | P407-E409 VanDerWaalsContact C-N 3.34Å; P407-E409 PolarHBondContact O-N 3.14Å; P407-S410 WeakPolarHBondContact O-CA 3.24Å; P407-S410 VanDerWaalsContact O-CB 3.32Å; P407-S410 WeakPolarHBondContact O-CB 3.27Å; P407-S410 PolarHBondContact O-N 3.24Å; P407-Y411 PolarHBondContact O-N 3.45Å | ||
| 408 | P | 86.5 | Confident | 86.9 | Confident | 56 Ų | 56 | 37.1 Ų | 37.1 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.1 | -44.6 | -173.7 | 15.6 | -28.5 | 0 | 0 | 0 | 113.1 | S410 Y411 Q412 | P408-S410 VanDerWaalsContact C-N 3.33Å; P408-S410 PolarHBondContact O-N 3.18Å; P408-Y411 PolarHBondContact O-N 3.12Å; P408-Q412 WeakPolarHBondContact O-CB 3.48Å; P408-Q412 PolarHBondContact O-N 3.06Å |
| 409 | E | 85.8 | Confident | 86.8 | Confident | 155 Ų | 155 | 37.8 Ų | 37.8 | 72% | 0.724 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.3 | -41.9 | 176.9 | -60.5 | 172.1 | -175 | 0 | 0 | 112.1 | P407 M413 | P407-E409 VanDerWaalsContact C-N 3.34Å; P407-E409 PolarHBondContact O-N 3.14Å; E409-M413 VanDerWaalsContact O-CB 3.26Å; E409-M413 WeakPolarHBondContact O-CB 3.43Å; E409-M413 PolarHBondContact O-N 3.15Å |
| 410 | S | 85.5 | Confident | 86.6 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 177.9 | -70.2 | 0 | 0 | 0 | 0 | 111.4 | L343 P407 P408 M413 L414 | L343-S410 WeakPolarHBondContact CD1-OG 3.37Å; P407-S410 WeakPolarHBondContact O-CA 3.24Å; P407-S410 VanDerWaalsContact O-CB 3.32Å; P407-S410 WeakPolarHBondContact O-CB 3.27Å; P407-S410 PolarHBondContact O-N 3.24Å; P408-S410 VanDerWaalsContact C-N 3.33Å; P408-S410 PolarHBondContact O-N 3.18Å; S410-M413 PolarHBondContact O-N 3.07Å; S410-L414 WeakPolarHBondContact O-CG 3.18Å; S410-L414 PolarHBondContact O-N 3.21Å; S410-L414 VanDerWaalsContact O-N 3.15Å |
| 411 | Y | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 176.3 | -177.7 | -87.8 | 0 | 0 | 0 | 111.5 | G403 L406 P407 P408 M413 L414 Q415 F454 N457 P458 H459 | G403-Y411 WeakPolarHBondContact O-CD2 3.23Å; L406-Y411 HydrophobicContact CD1-CD2 4.27Å; P407-Y411 PolarHBondContact O-N 3.45Å; P408-Y411 PolarHBondContact O-N 3.12Å; Y411-M413 VanDerWaalsContact C-N 3.34Å; Y411-M413 PolarHBondContact O-N 2.71Å; Y411-L414 WeakPolarHBondContact O-CB 3.39Å; Y411-L414 PolarHBondContact O-N 3.14Å; Y411-Q415 HydrophobicContact CD1-CG 4.47Å; Y411-Q415 HydrophobicContact CE1-CG 4.27Å; Y411-Q415 VanDerWaalsContact CZ-NE2 3.28Å; Y411-Q415 WeakPolarHBondContact O-CG 3.24Å; Y411-Q415 PolarHBondContact O-N 3.47Å; Y411-Q415 VanDerWaalsContact O-N 3.13Å; Y411-Q415 PolarHBondContact OH-NE2 3.26Å; Y411-F454 HydrophobicContact CD2-CD1 4.45Å; Y411-F454 HydrophobicContact CD2-CE1 4.07Å; Y411-F454 HydrophobicContact CE1-CD1 4.33Å; Y411-F454 AromaticContact CE2-CD1 3.67Å; Y411-F454 HydrophobicContact CE2-CD1 3.67Å; Y411-F454 AromaticContact CE2-CE1 3.72Å; Y411-F454 HydrophobicContact CE2-CE1 3.72Å; Y411-F454 AromaticContact CZ-CD1 3.59Å; Y411-F454 AromaticContact CZ-CE1 3.99Å; Y411-N457 PolarHBondContact OH-O 3.04Å; Y411-P458 VanDerWaalsContact OH-CA 3.28Å; Y411-P458 WeakPolarHBondContact OH-CA 3.22Å; Y411-H459 HydrophobicContact CD1-CB 3.49Å; Y411-H459 VanDerWaalsContact CD1-CB 3.49Å; Y411-H459 HydrophobicContact CD2-CB 3.74Å; Y411-H459 HydrophobicContact CE1-CB 3.44Å; Y411-H459 VanDerWaalsContact CE1-CB 3.44Å; Y411-H459 HydrophobicContact CE2-CB 3.71Å; Y411-H459 HydrophobicContact CG-CB 3.63Å; Y411-H459 PolarHBondContact OH-N 3.5Å |
| 412 | Q | 87.2 | Confident | 86.1 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 176.6 | -168.4 | -178.1 | 10.2 | 0 | 0 | 112.1 | P408 Q415 L416 Y465 | P408-Q412 WeakPolarHBondContact O-CB 3.48Å; P408-Q412 PolarHBondContact O-N 3.06Å; Q412-Q415 PolarHBondContact O-N 3.37Å; Q412-L416 HydrophobicContact CG-CD1 4.37Å; Q412-L416 WeakPolarHBondContact O-CG 3.37Å; Q412-L416 PolarHBondContact O-N 3.16Å; Q412-Y465 HydrophobicContact CG-CE2 4.12Å; Q412-Y465 PolarHBondContact NE2-OH 3.31Å |
| 413 | M | 84.5 | Confident | 86 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 42% | 0.419 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 175.6 | -173.5 | -170.7 | -61.1 | 0 | 0 | 111.7 | L343 Q347 E409 S410 Y411 Q415 F417 | L343-M413 HydrophobicContact CD1-SD 4.32Å; Q347-M413 PolarHBondContact NE2-SD 3.38Å; E409-M413 VanDerWaalsContact O-CB 3.26Å; E409-M413 WeakPolarHBondContact O-CB 3.43Å; E409-M413 PolarHBondContact O-N 3.15Å; S410-M413 PolarHBondContact O-N 3.07Å; Y411-M413 VanDerWaalsContact C-N 3.34Å; Y411-M413 PolarHBondContact O-N 2.71Å; M413-Q415 VanDerWaalsContact C-N 3.34Å; M413-Q415 PolarHBondContact O-N 2.81Å; M413-F417 VanDerWaalsContact O-CB 3.28Å; M413-F417 WeakPolarHBondContact O-CB 3.44Å; M413-F417 PolarHBondContact O-N 3.28Å |
| 414 | L | 86.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 174.4 | -68.6 | 176.2 | 0 | 0 | 0 | 112.4 | F339 L343 L346 L395 V399 L406 S410 Y411 F417 V418 F454 | F339-L414 HydrophobicContact CE1-CD1 3.82Å; F339-L414 HydrophobicContact CE1-CD2 4.41Å; F339-L414 HydrophobicContact CE1-CG 4.09Å; F339-L414 HydrophobicContact CZ-CD1 3.57Å; F339-L414 HydrophobicContact CZ-CD2 3.97Å; F339-L414 HydrophobicContact CZ-CG 4.01Å; L343-L414 HydrophobicContact CD2-CD2 3.48Å; L343-L414 VanDerWaalsContact CD2-CD2 3.48Å; L343-L414 HydrophobicContact CD2-CG 4.04Å; L346-L414 HydrophobicContact CD1-CD2 3.41Å; L346-L414 VanDerWaalsContact CD1-CD2 3.41Å; L395-L414 HydrophobicContact CD1-CD2 4.03Å; L395-L414 HydrophobicContact CD2-CD2 3.96Å; V399-L414 HydrophobicContact CG2-CD1 4.32Å; L406-L414 HydrophobicContact CD1-CD1 4.17Å; S410-L414 WeakPolarHBondContact O-CG 3.18Å; S410-L414 PolarHBondContact O-N 3.21Å; S410-L414 VanDerWaalsContact O-N 3.15Å; Y411-L414 WeakPolarHBondContact O-CB 3.39Å; Y411-L414 PolarHBondContact O-N 3.14Å; L414-F417 WeakPolarHBondContact O-CB 3.49Å; L414-F417 PolarHBondContact O-N 3.3Å; L414-V418 WeakPolarHBondContact O-CG2 3.45Å; L414-V418 PolarHBondContact O-N 3.45Å; L414-F454 HydrophobicContact CB-CE1 4.41Å; L414-F454 HydrophobicContact CB-CE2 4.4Å; L414-F454 HydrophobicContact CB-CZ 3.59Å; L414-F454 HydrophobicContact CD1-CE1 4.33Å; L414-F454 HydrophobicContact CD1-CZ 3.97Å; L414-F454 HydrophobicContact CG-CZ 4.49Å |
| 415 | Q | 88.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -49.5 | -178.4 | -71.5 | -172 | -22.1 | 0 | 0 | 111 | Y411 Q412 M413 F417 V418 L419 F454 Y465 | Y411-Q415 HydrophobicContact CD1-CG 4.47Å; Y411-Q415 HydrophobicContact CE1-CG 4.27Å; Y411-Q415 VanDerWaalsContact CZ-NE2 3.28Å; Y411-Q415 WeakPolarHBondContact O-CG 3.24Å; Y411-Q415 PolarHBondContact O-N 3.47Å; Y411-Q415 VanDerWaalsContact O-N 3.13Å; Y411-Q415 PolarHBondContact OH-NE2 3.26Å; Q412-Q415 PolarHBondContact O-N 3.37Å; M413-Q415 VanDerWaalsContact C-N 3.34Å; M413-Q415 PolarHBondContact O-N 2.81Å; Q415-F417 PolarHBondContact O-N 3Å; Q415-V418 PolarHBondContact O-N 3.35Å; Q415-L419 WeakPolarHBondContact O-CB 3.24Å; Q415-L419 WeakPolarHBondContact O-CD1 3.45Å; Q415-L419 WeakPolarHBondContact O-CG 3.36Å; Q415-L419 PolarHBondContact O-N 2.97Å; Q415-F454 HydrophobicContact CG-CD1 3.72Å; Q415-F454 HydrophobicContact CG-CD2 3.8Å; Q415-F454 HydrophobicContact CG-CE1 3.65Å; Q415-F454 HydrophobicContact CG-CE2 3.73Å; Q415-F454 HydrophobicContact CG-CG 3.81Å; Q415-F454 HydrophobicContact CG-CZ 3.68Å; Q415-F454 VanDerWaalsContact NE2-CD1 3.26Å; Q415-Y465 HydrophobicContact CB-CD2 4.49Å |
| 416 | L | 86.8 | Confident | 85 | Confident | 54 Ų | 54 | 46.2 Ų | 46.2 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.4 | -38.1 | 173.5 | -72.7 | 172.4 | 0 | 0 | 0 | 111.9 | Q412 R420 Y465 | Q412-L416 HydrophobicContact CG-CD1 4.37Å; Q412-L416 WeakPolarHBondContact O-CG 3.37Å; Q412-L416 PolarHBondContact O-N 3.16Å; L416-R420 VanDerWaalsContact O-CB 3.29Å; L416-R420 WeakPolarHBondContact O-CB 3.48Å; L416-R420 WeakPolarHBondContact O-CD 3.36Å; L416-R420 WeakPolarHBondContact O-CG 3.38Å; L416-R420 PolarHBondContact O-N 2.8Å; L416-Y465 HydrophobicContact CD2-CD2 4.27Å; L416-Y465 HydrophobicContact CD2-CE1 4.34Å; L416-Y465 HydrophobicContact CD2-CE2 3.61Å; L416-Y465 HydrophobicContact CG-CE2 3.79Å |
| 417 | F | 85.1 | Confident | 84.5 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -52.7 | 174.5 | 160.5 | -98.3 | 0 | 0 | 0 | 112.6 | L346 M350 L392 M413 L414 Q415 L419 R420 M421 L447 | L346-F417 HydrophobicContact CD1-CD1 4.48Å; L346-F417 HydrophobicContact CD2-CD1 4.36Å; L346-F417 HydrophobicContact CD2-CD2 4.18Å; L346-F417 HydrophobicContact CD2-CE1 4.45Å; L346-F417 HydrophobicContact CD2-CE2 4.26Å; L346-F417 HydrophobicContact CD2-CG 4.25Å; L346-F417 HydrophobicContact CD2-CZ 4.42Å; M350-F417 HydrophobicContact CB-CE2 3.79Å; M350-F417 HydrophobicContact CB-CZ 4.27Å; M350-F417 HydrophobicContact CE-CE2 3.77Å; M350-F417 HydrophobicContact CE-CZ 3.67Å; M350-F417 HydrophobicContact CG-CE1 4.47Å; M350-F417 HydrophobicContact CG-CE2 3.49Å; M350-F417 VanDerWaalsContact CG-CE2 3.49Å; M350-F417 HydrophobicContact CG-CZ 3.45Å; M350-F417 VanDerWaalsContact CG-CZ 3.45Å; M350-F417 HydrophobicContact SD-CE2 4.08Å; M350-F417 HydrophobicContact SD-CZ 3.63Å; L392-F417 HydrophobicContact CD2-CE1 4.33Å; M413-F417 VanDerWaalsContact O-CB 3.28Å; M413-F417 WeakPolarHBondContact O-CB 3.44Å; M413-F417 PolarHBondContact O-N 3.28Å; L414-F417 WeakPolarHBondContact O-CB 3.49Å; L414-F417 PolarHBondContact O-N 3.3Å; Q415-F417 PolarHBondContact O-N 3Å; F417-L419 PolarHBondContact O-N 3.06Å; F417-R420 PolarHBondContact O-N 2.62Å; F417-M421 HydrophobicContact CD2-CG 3.88Å; F417-M421 HydrophobicContact CE2-CB 4.5Å; F417-M421 HydrophobicContact CE2-CG 3.36Å; F417-M421 HydrophobicContact CE2-SD 4.35Å; F417-M421 HydrophobicContact CZ-CG 3.8Å; F417-M421 WeakPolarHBondContact O-CG 3.25Å; F417-M421 PolarHBondContact O-N 2.91Å; F417-L447 HydrophobicContact CE1-CD2 4.29Å |
| 418 | V | 87.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 179.9 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L414 Q415 R420 M421 L422 L447 V450 L451 F454 | L414-V418 WeakPolarHBondContact O-CG2 3.45Å; L414-V418 PolarHBondContact O-N 3.45Å; Q415-V418 PolarHBondContact O-N 3.35Å; V418-R420 VanDerWaalsContact C-N 3.29Å; V418-R420 PolarHBondContact O-N 3.06Å; V418-M421 PolarHBondContact O-N 3.29Å; V418-L422 HydrophobicContact CG1-CD1 3.89Å; V418-L422 HydrophobicContact CG1-CG 4.33Å; V418-L422 WeakPolarHBondContact O-CG 3.49Å; V418-L422 PolarHBondContact O-N 3.1Å; V418-L447 HydrophobicContact CG1-CB 4.43Å; V418-L447 HydrophobicContact CG1-CD2 4.37Å; V418-L447 HydrophobicContact CG2-CD2 4.16Å; V418-V450 HydrophobicContact CG2-CB 4.33Å; V418-V450 HydrophobicContact CG2-CG1 3.92Å; V418-L451 HydrophobicContact CG1-CB 4.28Å; V418-F454 HydrophobicContact CG2-CE2 4.15Å |
| 419 | L | 87.9 | Confident | 82.8 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -26.6 | 179.2 | -64.4 | 168.2 | 0 | 0 | 0 | 112.9 | Q415 F417 P423 L451 Y465 V468 L472 | Q415-L419 WeakPolarHBondContact O-CB 3.24Å; Q415-L419 WeakPolarHBondContact O-CD1 3.45Å; Q415-L419 WeakPolarHBondContact O-CG 3.36Å; Q415-L419 PolarHBondContact O-N 2.97Å; F417-L419 PolarHBondContact O-N 3.06Å; L419-P423 WeakPolarHBondContact O-CD 3.37Å; L419-L451 HydrophobicContact CD2-CD1 3.75Å; L419-Y465 HydrophobicContact CD1-CD2 3.94Å; L419-Y465 HydrophobicContact CD1-CG 4.04Å; L419-V468 HydrophobicContact CD2-CG1 4.2Å; L419-L472 HydrophobicContact CD2-CD1 3.65Å |
| 420 | R | 85.2 | Confident | 81.8 | Confident | 170 Ų | 170 | 48.7 Ų | 48.7 | 64% | 0.642 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -81.2 | -34.5 | 172.2 | -75.2 | 168.5 | 178.7 | 178.3 | -1 | 113 | L416 F417 V418 R424 | L416-R420 VanDerWaalsContact O-CB 3.29Å; L416-R420 WeakPolarHBondContact O-CB 3.48Å; L416-R420 WeakPolarHBondContact O-CD 3.36Å; L416-R420 WeakPolarHBondContact O-CG 3.38Å; L416-R420 PolarHBondContact O-N 2.8Å; F417-R420 PolarHBondContact O-N 2.62Å; V418-R420 VanDerWaalsContact C-N 3.29Å; V418-R420 PolarHBondContact O-N 3.06Å; R420-R424 WeakPolarHBondContact O-CG 3.18Å |
| 421 | M | 82.2 | Confident | 80.7 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -80.7 | -30.8 | -177.9 | -70.4 | -53.9 | -58.8 | 0 | 0 | 113.6 | M350 L357 F417 V418 R424 C425 L447 | M350-M421 HydrophobicContact CE-CE 3.88Å; M350-M421 HydrophobicContact CE-CG 4.34Å; M350-M421 HydrophobicContact CE-SD 4.43Å; L357-M421 HydrophobicContact CD1-CE 3.64Å; F417-M421 HydrophobicContact CD2-CG 3.88Å; F417-M421 HydrophobicContact CE2-CB 4.5Å; F417-M421 HydrophobicContact CE2-CG 3.36Å; F417-M421 HydrophobicContact CE2-SD 4.35Å; F417-M421 HydrophobicContact CZ-CG 3.8Å; F417-M421 WeakPolarHBondContact O-CG 3.25Å; F417-M421 PolarHBondContact O-N 2.91Å; V418-M421 PolarHBondContact O-N 3.29Å; M421-R424 HydrophobicContact CE-CB 4.47Å; M421-R424 PolarHBondContact O-N 2.89Å; M421-C425 PolarHBondContact O-N 2.89Å; M421-C425 VanDerWaalsContact O-N 3.11Å; M421-C425 PolarHBondContact O-SG 3.11Å; M421-C425 VanDerWaalsContact O-SG 3.37Å; M421-L447 HydrophobicContact CB-CD1 3.73Å; M421-L447 HydrophobicContact CB-CD2 4.35Å |
| 422 | L | 85.6 | Confident | 79.7 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.5 | -52 | 177.2 | -81.8 | 168.9 | 0 | 0 | 0 | 112.8 | V418 R424 C425 E426 R444 L447 L451 L472 | V418-L422 HydrophobicContact CG1-CD1 3.89Å; V418-L422 HydrophobicContact CG1-CG 4.33Å; V418-L422 WeakPolarHBondContact O-CG 3.49Å; V418-L422 PolarHBondContact O-N 3.1Å; L422-R424 VanDerWaalsContact C-N 3.32Å; L422-R424 PolarHBondContact O-N 2.92Å; L422-C425 PolarHBondContact O-N 3.36Å; L422-C425 VanDerWaalsContact O-N 3.11Å; L422-E426 PolarHBondContact O-N 3.35Å; L422-R444 HydrophobicContact CD2-CG 3.87Å; L422-L447 HydrophobicContact CD2-CB 3.5Å; L422-L447 VanDerWaalsContact CD2-CB 3.5Å; L422-L447 HydrophobicContact CD2-CD1 4.34Å; L422-L447 HydrophobicContact CG-CB 3.86Å; L422-L447 HydrophobicContact CG-CD1 4.43Å; L422-L451 HydrophobicContact CD1-CB 4.39Å; L422-L451 HydrophobicContact CD1-CD2 3.79Å; L422-L472 HydrophobicContact CB-CD1 4.14Å; L422-L472 HydrophobicContact CD1-CD1 4.06Å |
| 423 | P | 84 | Confident | 79.1 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -35.1 | 173.3 | -26.5 | 35.2 | 0 | 0 | 0 | 114.4 | L419 C425 E426 T427 L472 | L419-P423 WeakPolarHBondContact O-CD 3.37Å; P423-C425 PolarHBondContact O-N 2.91Å; P423-E426 WeakPolarHBondContact O-CA 3.25Å; P423-E426 WeakPolarHBondContact O-CB 3.09Å; P423-E426 PolarHBondContact O-N 3.3Å; P423-T427 PolarHBondContact O-N 3.05Å; P423-T427 VanDerWaalsContact O-N 3.11Å; P423-T427 PolarHBondContact O-OG1 3.38Å; P423-L472 HydrophobicContact CG-CD2 3.86Å |
| 424 | R | 78.2 | Confident | 78.7 | Confident | 140 Ų | 140 | 58.4 Ų | 58.4 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.8 | -22.7 | 176.9 | -71.5 | 175.9 | 167.2 | -160.6 | -7.3 | 112.9 | R420 M421 L422 T427 | R420-R424 WeakPolarHBondContact O-CG 3.18Å; M421-R424 HydrophobicContact CE-CB 4.47Å; M421-R424 PolarHBondContact O-N 2.89Å; L422-R424 VanDerWaalsContact C-N 3.32Å; L422-R424 PolarHBondContact O-N 2.92Å; R424-T427 PolarHBondContact O-OG1 3.26Å; R424-T427 VanDerWaalsContact O-OG1 3.12Å |
| 425 | C | 78.8 | Confident | 78 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -87.4 | -10.7 | 169.1 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | M421 L422 P423 R444 | M421-C425 PolarHBondContact O-N 2.89Å; M421-C425 VanDerWaalsContact O-N 3.11Å; M421-C425 PolarHBondContact O-SG 3.11Å; M421-C425 VanDerWaalsContact O-SG 3.37Å; L422-C425 PolarHBondContact O-N 3.36Å; L422-C425 VanDerWaalsContact O-N 3.11Å; P423-C425 PolarHBondContact O-N 2.91Å; C425-R444 HydrophobicContact CB-CB 3.77Å; C425-R444 HydrophobicContact CB-CG 4.14Å |
| 426 | E | 78.5 | Confident | 77.2 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -86 | -29.6 | 174.2 | -71.2 | 178.1 | 169.6 | 0 | 0 | 112.2 | L422 P423 I428 R444 | L422-E426 PolarHBondContact O-N 3.35Å; P423-E426 WeakPolarHBondContact O-CA 3.25Å; P423-E426 WeakPolarHBondContact O-CB 3.09Å; P423-E426 PolarHBondContact O-N 3.3Å; E426-I428 PolarHBondContact O-N 3.09Å; E426-R444 IonicContact OE1-CZ 3.69Å; E426-R444 VanDerWaalsContact OE1-CZ 3.26Å; E426-R444 IonicContact OE1-NE 3.97Å; E426-R444 PolarHBondContact OE1-NE 3.49Å; E426-R444 VanDerWaalsContact OE1-NE 3.14Å; E426-R444 IonicContact OE1-NH2 3.7Å; E426-R444 PolarHBondContact OE1-NH2 2.87Å |
| 427 | T | 75.2 | Confident | 76.6 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 66% | 0.663 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -73.2 | -3.3 | 179.4 | 46.7 | 0 | 0 | 0 | 0 | 115 | P423 R424 T429 | P423-T427 PolarHBondContact O-N 3.05Å; P423-T427 VanDerWaalsContact O-N 3.11Å; P423-T427 PolarHBondContact O-OG1 3.38Å; R424-T427 PolarHBondContact O-OG1 3.26Å; R424-T427 VanDerWaalsContact O-OG1 3.12Å; T427-T429 PolarHBondContact O-N 3Å |
| 428 | I | 73 | Confident | 76.3 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | trans | -82.9 | 104.2 | 177.2 | -71.4 | 178.7 | 0 | 0 | 0 | 109.3 | L357 E426 V436 R437 A440 | L357-I428 HydrophobicContact CD2-CD1 3.48Å; L357-I428 VanDerWaalsContact CD2-CD1 3.48Å; E426-I428 PolarHBondContact O-N 3.09Å; I428-V436 HydrophobicContact CD1-CG1 4.36Å; I428-V436 HydrophobicContact CG2-CG1 4.32Å; I428-R437 HydrophobicContact CG2-CG 4.05Å; I428-A440 HydrophobicContact CB-CB 4.32Å; I428-A440 HydrophobicContact CD1-CB 3.62Å; I428-A440 HydrophobicContact CG2-CB 4.2Å | ||
| 429 | T | 64.5 | Low | 75.9 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | trans | -73.2 | 172.7 | -173.4 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | T427 D431 S432 R437 | T427-T429 PolarHBondContact O-N 3Å; T429-D431 VanDerWaalsContact CB-OD2 3.3Å; T429-D431 WeakPolarHBondContact CB-OD2 3.11Å; T429-D431 PolarHBondContact O-N 3.4Å; T429-D431 PolarHBondContact OG1-N 2.98Å; T429-D431 PolarHBondContact OG1-OD2 3.15Å; T429-S432 PolarHBondContact O-N 3.41Å; T429-R437 WeakPolarHBondContact O-CD 3.32Å | ||
| 430 | E | 65.8 | Low | 75.4 | Confident | 112 Ų | 112 | 61.7 Ų | 61.7 | 52% | 0.523 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -11.5 | 174.7 | -63.7 | -170.8 | 176.4 | 0 | 0 | 113.1 | R437 K480 | E430-R437 PolarHBondContact O-NH1 2.89Å; E430-R437 PolarHBondContact O-NH2 3.21Å; E430-K480 IonicContact OE1-NZ 2.71Å; E430-K480 PolarHBondContact OE1-NZ 3.27Å; E430-K480 IonicContact OE2-NZ 3.92Å |
| 431 | D | 62.2 | Low | 75.3 | Confident | 120 Ų | 120 | 60.6 Ų | 60.6 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.4 | 178.5 | -38.8 | -79.3 | 0 | 0 | 0 | 114 | Q364 T429 | Q364-D431 PolarHBondContact NE2-O 2.69Å; Q364-D431 VanDerWaalsContact NE2-O 3.1Å; T429-D431 VanDerWaalsContact CB-OD2 3.3Å; T429-D431 WeakPolarHBondContact CB-OD2 3.11Å; T429-D431 PolarHBondContact O-N 3.4Å; T429-D431 PolarHBondContact OG1-N 2.98Å; T429-D431 PolarHBondContact OG1-OD2 3.15Å |
| 432 | S | 67.7 | Low | 75.5 | Confident | 20 Ų | 20 | 65 Ų | 65 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -70.3 | 160.6 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | T429 R437 | T429-S432 PolarHBondContact O-N 3.41Å; S432-R437 PolarHBondContact O-NE 3Å; S432-R437 PolarHBondContact O-NH2 3.02Å |
| 433 | D | 73.3 | Confident | 75.4 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | trans | -56.2 | 148.9 | 177.3 | -169.6 | -71 | 0 | 0 | 0 | 111.2 | V435 V436 R437 | D433-V435 VanDerWaalsContact C-N 3.28Å; D433-V435 PolarHBondContact O-N 3.26Å; D433-V435 WeakPolarHBondContact OD1-CB 3.22Å; D433-V435 PolarHBondContact OD1-N 3.09Å; D433-V436 HydrophobicContact CB-CB 4.13Å; D433-V436 HydrophobicContact CB-CG2 3.77Å; D433-V436 PolarHBondContact O-N 3.38Å; D433-V436 VanDerWaalsContact O-N 3.17Å; D433-R437 PolarHBondContact O-N 3.4Å; D433-R437 PolarHBondContact O-NE 2.81Å | ||
| 434 | F | 75.9 | Confident | 75.6 | Confident | 151 Ų | 151 | 64 Ų | 64 | 66% | 0.662 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58 | -40.9 | 177.5 | 172.3 | -97.2 | 0 | 0 | 0 | 112.2 | V436 S438 | F434-V436 VanDerWaalsContact C-N 3.32Å; F434-S438 VanDerWaalsContact O-CB 3.29Å; F434-S438 WeakPolarHBondContact O-CB 3.35Å; F434-S438 PolarHBondContact O-N 3.23Å |
| 435 | V | 71.9 | Confident | 76.1 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | L378 D433 S438 I439 | L378-V435 HydrophobicContact CD2-CB 3.87Å; L378-V435 HydrophobicContact CD2-CG1 3.83Å; L378-V435 HydrophobicContact CD2-CG2 3.9Å; L378-V435 HydrophobicContact CG-CG1 4.09Å; D433-V435 VanDerWaalsContact C-N 3.28Å; D433-V435 PolarHBondContact O-N 3.26Å; D433-V435 WeakPolarHBondContact OD1-CB 3.22Å; D433-V435 PolarHBondContact OD1-N 3.09Å; V435-S438 WeakPolarHBondContact O-CB 3.46Å; V435-S438 PolarHBondContact O-N 3.05Å; V435-I439 HydrophobicContact CG1-CD1 3.86Å; V435-I439 HydrophobicContact CG1-CG1 4.45Å; V435-I439 WeakPolarHBondContact O-CB 3.47Å; V435-I439 VanDerWaalsContact O-CG1 3.28Å; V435-I439 WeakPolarHBondContact O-CG1 3.38Å; V435-I439 PolarHBondContact O-N 3.14Å |
| 436 | V | 71.4 | Confident | 76.6 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 179.5 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | W356 E360 I428 D433 F434 S438 I439 A440 | W356-V436 HydrophobicContact CH2-CB 4.19Å; W356-V436 HydrophobicContact CH2-CG1 3.97Å; W356-V436 HydrophobicContact CH2-CG2 3.96Å; W356-V436 HydrophobicContact CZ2-CG2 3.92Å; W356-V436 HydrophobicContact CZ3-CG1 4.46Å; E360-V436 WeakPolarHBondContact OE1-CG2 3.3Å; E360-V436 VanDerWaalsContact OE2-CG1 3.24Å; E360-V436 WeakPolarHBondContact OE2-CG1 3.46Å; E360-V436 WeakPolarHBondContact OE2-CG2 3.47Å; I428-V436 HydrophobicContact CD1-CG1 4.36Å; I428-V436 HydrophobicContact CG2-CG1 4.32Å; D433-V436 HydrophobicContact CB-CB 4.13Å; D433-V436 HydrophobicContact CB-CG2 3.77Å; D433-V436 PolarHBondContact O-N 3.38Å; D433-V436 VanDerWaalsContact O-N 3.17Å; F434-V436 VanDerWaalsContact C-N 3.32Å; V436-S438 VanDerWaalsContact C-N 3.32Å; V436-S438 PolarHBondContact O-N 3.36Å; V436-I439 PolarHBondContact O-N 3.24Å; V436-A440 WeakPolarHBondContact O-CB 3.27Å; V436-A440 PolarHBondContact O-N 3.08Å |
| 437 | R | 75.1 | Confident | 77.2 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 28% | 0.275 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 173.3 | -72.5 | 179.7 | -76.9 | 175.5 | -20.9 | 112.4 | I428 T429 E430 S432 D433 R441 | I428-R437 HydrophobicContact CG2-CG 4.05Å; T429-R437 WeakPolarHBondContact O-CD 3.32Å; E430-R437 PolarHBondContact O-NH1 2.89Å; E430-R437 PolarHBondContact O-NH2 3.21Å; S432-R437 PolarHBondContact O-NE 3Å; S432-R437 PolarHBondContact O-NH2 3.02Å; D433-R437 PolarHBondContact O-N 3.4Å; D433-R437 PolarHBondContact O-NE 2.81Å; R437-R441 VanDerWaalsContact O-CB 3.31Å; R437-R441 WeakPolarHBondContact O-CB 3.48Å; R437-R441 WeakPolarHBondContact O-CD 3.14Å; R437-R441 WeakPolarHBondContact O-CG 3.21Å; R437-R441 PolarHBondContact O-N 2.83Å |
| 438 | S | 79.3 | Confident | 77.9 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.2 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | F434 V435 V436 K442 | F434-S438 VanDerWaalsContact O-CB 3.29Å; F434-S438 WeakPolarHBondContact O-CB 3.35Å; F434-S438 PolarHBondContact O-N 3.23Å; V435-S438 WeakPolarHBondContact O-CB 3.46Å; V435-S438 PolarHBondContact O-N 3.05Å; V436-S438 VanDerWaalsContact C-N 3.32Å; V436-S438 PolarHBondContact O-N 3.36Å; S438-K442 VanDerWaalsContact O-CG 3.31Å; S438-K442 WeakPolarHBondContact O-CG 3.33Å; S438-K442 PolarHBondContact O-N 3.04Å; S438-K442 VanDerWaalsContact O-N 3.17Å |
| 439 | I | 77.2 | Confident | 78.9 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -53.4 | 174.5 | -73.9 | 171.4 | 0 | 0 | 0 | 110.5 | W356 H385 V435 V436 R441 K442 L443 | W356-I439 HydrophobicContact CE3-CG2 4.44Å; W356-I439 HydrophobicContact CH2-CB 3.87Å; W356-I439 HydrophobicContact CH2-CD1 3.66Å; W356-I439 HydrophobicContact CH2-CG1 4.35Å; W356-I439 HydrophobicContact CH2-CG2 3.51Å; W356-I439 HydrophobicContact CZ2-CD1 3.87Å; W356-I439 HydrophobicContact CZ3-CB 4.25Å; W356-I439 HydrophobicContact CZ3-CG2 3.44Å; W356-I439 VanDerWaalsContact CZ3-CG2 3.44Å; H385-I439 VanDerWaalsContact CE1-CG1 3.47Å; H385-I439 WeakPolarHBondContact CE1-CG1 3.22Å; H385-I439 WeakPolarHBondContact NE2-CA 3.42Å; V435-I439 HydrophobicContact CG1-CD1 3.86Å; V435-I439 HydrophobicContact CG1-CG1 4.45Å; V435-I439 WeakPolarHBondContact O-CB 3.47Å; V435-I439 VanDerWaalsContact O-CG1 3.28Å; V435-I439 WeakPolarHBondContact O-CG1 3.38Å; V435-I439 PolarHBondContact O-N 3.14Å; V436-I439 PolarHBondContact O-N 3.24Å; I439-R441 PolarHBondContact O-N 2.94Å; I439-K442 PolarHBondContact O-N 2.87Å; I439-L443 WeakPolarHBondContact O-CB 3.38Å; I439-L443 PolarHBondContact O-N 3.19Å |
| 440 | A | 79.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -43 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I428 V436 L443 R444 | I428-A440 HydrophobicContact CB-CB 4.32Å; I428-A440 HydrophobicContact CD1-CB 3.62Å; I428-A440 HydrophobicContact CG2-CB 4.2Å; V436-A440 WeakPolarHBondContact O-CB 3.27Å; V436-A440 PolarHBondContact O-N 3.08Å; A440-L443 PolarHBondContact O-N 3.12Å; A440-R444 WeakPolarHBondContact O-CB 3.49Å; A440-R444 PolarHBondContact O-N 3.43Å |
| 441 | R | 82.2 | Confident | 81.5 | Confident | 146 Ų | 146 | 43.8 Ų | 43.8 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.1 | -43.4 | 175.9 | -75.4 | 171 | 178.1 | -177 | -1.1 | 112.2 | R437 I439 T445 | R437-R441 VanDerWaalsContact O-CB 3.31Å; R437-R441 WeakPolarHBondContact O-CB 3.48Å; R437-R441 WeakPolarHBondContact O-CD 3.14Å; R437-R441 WeakPolarHBondContact O-CG 3.21Å; R437-R441 PolarHBondContact O-N 2.83Å; I439-R441 PolarHBondContact O-N 2.94Å; R441-T445 WeakPolarHBondContact O-CB 3.35Å; R441-T445 PolarHBondContact O-N 3.41Å; R441-T445 PolarHBondContact O-OG1 3.2Å |
| 442 | K | 85.7 | Confident | 82.9 | Confident | 100 Ų | 100 | 38.6 Ų | 38.6 | 44% | 0.435 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 175.5 | -73.9 | 169.1 | 179.8 | 173.4 | 0 | 111.7 | H385 S438 I439 T445 S446 | H385-K442 WeakPolarHBondContact NE2-CB 3.36Å; H385-K442 WeakPolarHBondContact NE2-CD 3.31Å; H385-K442 WeakPolarHBondContact NE2-CG 3.28Å; S438-K442 VanDerWaalsContact O-CG 3.31Å; S438-K442 WeakPolarHBondContact O-CG 3.33Å; S438-K442 PolarHBondContact O-N 3.04Å; S438-K442 VanDerWaalsContact O-N 3.17Å; I439-K442 PolarHBondContact O-N 2.87Å; K442-T445 WeakPolarHBondContact O-CB 3.38Å; K442-T445 PolarHBondContact O-N 3.14Å; K442-S446 PolarHBondContact O-N 3.38Å; K442-S446 PolarHBondContact O-OG 2.89Å |
| 443 | L | 84.8 | Confident | 84 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -49.7 | 176.8 | -173.1 | 62.2 | 0 | 0 | 0 | 111.7 | V388 L392 I439 A440 T445 S446 L447 | V388-L443 HydrophobicContact CG1-CD1 3.97Å; L392-L443 HydrophobicContact CD1-CD1 3.61Å; I439-L443 WeakPolarHBondContact O-CB 3.38Å; I439-L443 PolarHBondContact O-N 3.19Å; A440-L443 PolarHBondContact O-N 3.12Å; L443-T445 VanDerWaalsContact C-N 3.31Å; L443-T445 PolarHBondContact O-N 3.48Å; L443-S446 PolarHBondContact O-N 3.39Å; L443-S446 VanDerWaalsContact O-N 3.16Å; L443-L447 HydrophobicContact CG-CD1 4.17Å; L443-L447 WeakPolarHBondContact O-CG 3.21Å; L443-L447 PolarHBondContact O-N 3.4Å |
| 444 | R | 86.9 | Confident | 84.8 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -37.3 | 176 | -167.4 | 166.8 | 165.1 | -128.8 | -3.5 | 112.4 | L422 C425 E426 A440 C448 D479 L484 | L422-R444 HydrophobicContact CD2-CG 3.87Å; C425-R444 HydrophobicContact CB-CB 3.77Å; C425-R444 HydrophobicContact CB-CG 4.14Å; E426-R444 IonicContact OE1-CZ 3.69Å; E426-R444 VanDerWaalsContact OE1-CZ 3.26Å; E426-R444 IonicContact OE1-NE 3.97Å; E426-R444 PolarHBondContact OE1-NE 3.49Å; E426-R444 VanDerWaalsContact OE1-NE 3.14Å; E426-R444 IonicContact OE1-NH2 3.7Å; E426-R444 PolarHBondContact OE1-NH2 2.87Å; A440-R444 WeakPolarHBondContact O-CB 3.49Å; A440-R444 PolarHBondContact O-N 3.43Å; R444-C448 VanDerWaalsContact O-CB 3.27Å; R444-C448 WeakPolarHBondContact O-CB 3.31Å; R444-C448 PolarHBondContact O-N 3.17Å; R444-D479 IonicContact CZ-OD2 2.7Å; R444-D479 IonicContact NH1-OD2 3.14Å; R444-D479 PolarHBondContact NH1-OD2 2.78Å; R444-D479 IonicContact NH2-OD2 2.64Å; R444-L484 HydrophobicContact CG-CD1 4.37Å; R444-L484 HydrophobicContact CG-CD2 3.84Å; R444-L484 VanDerWaalsContact NH1-CD2 3.34Å |
| 445 | T | 89.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 13% | 0.129 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 172.4 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | R441 K442 L443 C448 R449 I483 L487 | R441-T445 WeakPolarHBondContact O-CB 3.35Å; R441-T445 PolarHBondContact O-N 3.41Å; R441-T445 PolarHBondContact O-OG1 3.2Å; K442-T445 WeakPolarHBondContact O-CB 3.38Å; K442-T445 PolarHBondContact O-N 3.14Å; L443-T445 VanDerWaalsContact C-N 3.31Å; L443-T445 PolarHBondContact O-N 3.48Å; T445-C448 PolarHBondContact O-N 2.94Å; T445-R449 PolarHBondContact O-N 2.95Å; T445-I483 HydrophobicContact CG2-CG2 3.88Å; T445-L487 HydrophobicContact CG2-CD1 3.66Å |
| 446 | S | 89.4 | Confident | 86 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.7 | -42.9 | 178.3 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | K442 L443 C448 R449 V450 | K442-S446 PolarHBondContact O-N 3.38Å; K442-S446 PolarHBondContact O-OG 2.89Å; L443-S446 PolarHBondContact O-N 3.39Å; L443-S446 VanDerWaalsContact O-N 3.16Å; S446-C448 VanDerWaalsContact C-N 3.29Å; S446-C448 PolarHBondContact O-N 3.15Å; S446-R449 WeakPolarHBondContact O-CB 3.38Å; S446-R449 PolarHBondContact O-N 3.45Å; S446-R449 VanDerWaalsContact O-N 3.1Å; S446-V450 PolarHBondContact O-N 2.85Å; S446-V450 VanDerWaalsContact O-N 3.13Å |
| 447 | L | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | 174.9 | -70.7 | 169.6 | 0 | 0 | 0 | 112.2 | L392 F417 V418 M421 L422 L443 R449 V450 L451 | L392-L447 HydrophobicContact CD1-CD2 3.82Å; L392-L447 HydrophobicContact CD1-CG 3.88Å; L392-L447 HydrophobicContact CD2-CD2 3.92Å; F417-L447 HydrophobicContact CE1-CD2 4.29Å; V418-L447 HydrophobicContact CG1-CB 4.43Å; V418-L447 HydrophobicContact CG1-CD2 4.37Å; V418-L447 HydrophobicContact CG2-CD2 4.16Å; M421-L447 HydrophobicContact CB-CD1 3.73Å; M421-L447 HydrophobicContact CB-CD2 4.35Å; L422-L447 HydrophobicContact CD2-CB 3.5Å; L422-L447 VanDerWaalsContact CD2-CB 3.5Å; L422-L447 HydrophobicContact CD2-CD1 4.34Å; L422-L447 HydrophobicContact CG-CB 3.86Å; L422-L447 HydrophobicContact CG-CD1 4.43Å; L443-L447 HydrophobicContact CG-CD1 4.17Å; L443-L447 WeakPolarHBondContact O-CG 3.21Å; L443-L447 PolarHBondContact O-N 3.4Å; L447-R449 VanDerWaalsContact C-N 3.34Å; L447-R449 PolarHBondContact O-N 3.43Å; L447-V450 PolarHBondContact O-N 3.47Å; L447-L451 PolarHBondContact O-N 3.09Å |
| 448 | C | 91.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.034 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | R444 T445 S446 L451 N452 L484 | R444-C448 VanDerWaalsContact O-CB 3.27Å; R444-C448 WeakPolarHBondContact O-CB 3.31Å; R444-C448 PolarHBondContact O-N 3.17Å; T445-C448 PolarHBondContact O-N 2.94Å; S446-C448 VanDerWaalsContact C-N 3.29Å; S446-C448 PolarHBondContact O-N 3.15Å; C448-L451 PolarHBondContact O-N 3.38Å; C448-N452 PolarHBondContact O-N 3.46Å; C448-L484 HydrophobicContact CB-CD1 3.63Å |
| 449 | R | 92.8 | Very high | 87.5 | Confident | 75 Ų | 75 | 31.4 Ų | 31.4 | 28% | 0.283 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 171.1 | -61.8 | -162.9 | -172.2 | 91.1 | 1.4 | 112.5 | E396 T445 S446 L447 L451 N452 A453 L487 | E396-R449 HydrophobicContact CG-CB 4.14Å; E396-R449 WeakPolarHBondContact OE1-CB 3.41Å; E396-R449 WeakPolarHBondContact OE1-CD 3.45Å; E396-R449 WeakPolarHBondContact OE2-CB 3.38Å; E396-R449 VanDerWaalsContact OE2-CD 3.28Å; E396-R449 WeakPolarHBondContact OE2-CD 3.49Å; T445-R449 PolarHBondContact O-N 2.95Å; S446-R449 WeakPolarHBondContact O-CB 3.38Å; S446-R449 PolarHBondContact O-N 3.45Å; S446-R449 VanDerWaalsContact O-N 3.1Å; L447-R449 VanDerWaalsContact C-N 3.34Å; L447-R449 PolarHBondContact O-N 3.43Å; R449-L451 VanDerWaalsContact C-N 3.29Å; R449-L451 PolarHBondContact O-N 3.16Å; R449-N452 PolarHBondContact O-N 3.4Å; R449-N452 VanDerWaalsContact O-N 3.15Å; R449-A453 PolarHBondContact O-N 3.23Å; R449-L487 HydrophobicContact CG-CD1 3.87Å; R449-L487 HydrophobicContact CG-CD2 4.09Å |
| 450 | V | 91.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | L392 L395 E396 V418 S446 L447 A453 F454 | L392-V450 HydrophobicContact CB-CG2 4.48Å; L392-V450 WeakPolarHBondContact O-CG2 3.15Å; L395-V450 HydrophobicContact CB-CG1 4.31Å; L395-V450 HydrophobicContact CB-CG2 4.27Å; E396-V450 HydrophobicContact CB-CG2 4.1Å; V418-V450 HydrophobicContact CG2-CB 4.33Å; V418-V450 HydrophobicContact CG2-CG1 3.92Å; S446-V450 PolarHBondContact O-N 2.85Å; S446-V450 VanDerWaalsContact O-N 3.13Å; L447-V450 PolarHBondContact O-N 3.47Å; V450-A453 WeakPolarHBondContact O-CB 3.41Å; V450-A453 PolarHBondContact O-N 2.93Å; V450-F454 HydrophobicContact CG1-CD2 4.23Å; V450-F454 HydrophobicContact CG1-CE2 3.68Å; V450-F454 HydrophobicContact CG1-CZ 4.2Å; V450-F454 VanDerWaalsContact O-CD2 3.24Å; V450-F454 WeakPolarHBondContact O-CD2 3.18Å; V450-F454 PolarHBondContact O-N 2.96Å; V450-F454 VanDerWaalsContact O-N 3.08Å |
| 451 | L | 92.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 172.9 | -172.3 | 67 | 0 | 0 | 0 | 112.4 | V418 L419 L422 L447 C448 R449 A453 F454 L455 Y464 L473 | V418-L451 HydrophobicContact CG1-CB 4.28Å; L419-L451 HydrophobicContact CD2-CD1 3.75Å; L422-L451 HydrophobicContact CD1-CB 4.39Å; L422-L451 HydrophobicContact CD1-CD2 3.79Å; L447-L451 PolarHBondContact O-N 3.09Å; C448-L451 PolarHBondContact O-N 3.38Å; R449-L451 VanDerWaalsContact C-N 3.29Å; R449-L451 PolarHBondContact O-N 3.16Å; L451-A453 VanDerWaalsContact C-N 3.34Å; L451-F454 PolarHBondContact O-N 2.9Å; L451-L455 PolarHBondContact O-N 3.03Å; L451-L455 VanDerWaalsContact O-N 3.15Å; L451-Y464 VanDerWaalsContact CD1-OH 3.27Å; L451-Y464 WeakPolarHBondContact CD1-OH 3.5Å; L451-L473 HydrophobicContact CD2-CD1 4.21Å; L451-L473 HydrophobicContact CD2-CD2 4.1Å; L451-L473 HydrophobicContact CD2-CG 3.85Å |
| 452 | N | 91.8 | Very high | 87.6 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.5 | -33 | 174 | -73.1 | -17.3 | 0 | 0 | 0 | 112.6 | C448 R449 L455 L456 L487 G491 | C448-N452 PolarHBondContact O-N 3.46Å; R449-N452 PolarHBondContact O-N 3.4Å; R449-N452 VanDerWaalsContact O-N 3.15Å; N452-L455 WeakPolarHBondContact O-CB 3.26Å; N452-L455 PolarHBondContact O-N 2.82Å; N452-L456 WeakPolarHBondContact O-CG 3.36Å; N452-L456 PolarHBondContact O-N 3.44Å; N452-L487 PolarHBondContact ND2-O 3.36Å; N452-G491 WeakPolarHBondContact OD1-CA 3.29Å |
| 453 | A | 91.7 | Very high | 86.9 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | V399 S400 R449 V450 L451 L455 L456 N457 | V399-A453 HydrophobicContact CB-CB 3.94Å; V399-A453 VanDerWaalsContact CG1-C 3.48Å; V399-A453 HydrophobicContact CG1-CB 3.71Å; S400-A453 WeakPolarHBondContact OG-CB 3.44Å; R449-A453 PolarHBondContact O-N 3.23Å; V450-A453 WeakPolarHBondContact O-CB 3.41Å; V450-A453 PolarHBondContact O-N 2.93Å; L451-A453 VanDerWaalsContact C-N 3.34Å; A453-L455 VanDerWaalsContact C-N 3.33Å; A453-L455 PolarHBondContact O-N 2.97Å; A453-L456 PolarHBondContact O-N 3.45Å; A453-N457 PolarHBondContact O-N 2.83Å |
| 454 | F | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -34.9 | 174.4 | -73 | -52 | 0 | 0 | 0 | 113.5 | V399 Y411 L414 Q415 V418 V450 L451 L456 N457 Y464 | V399-F454 HydrophobicContact CB-CD1 4.42Å; V399-F454 HydrophobicContact CB-CE1 4.27Å; V399-F454 HydrophobicContact CG1-CD1 3.44Å; V399-F454 VanDerWaalsContact CG1-CD1 3.44Å; V399-F454 HydrophobicContact CG1-CE1 3.74Å; V399-F454 HydrophobicContact CG1-CG 4.09Å; V399-F454 HydrophobicContact CG2-CD1 4.04Å; V399-F454 HydrophobicContact CG2-CE1 3.43Å; V399-F454 VanDerWaalsContact CG2-CE1 3.43Å; V399-F454 HydrophobicContact CG2-CZ 3.77Å; Y411-F454 HydrophobicContact CD2-CD1 4.45Å; Y411-F454 HydrophobicContact CD2-CE1 4.07Å; Y411-F454 HydrophobicContact CE1-CD1 4.33Å; Y411-F454 AromaticContact CE2-CD1 3.67Å; Y411-F454 HydrophobicContact CE2-CD1 3.67Å; Y411-F454 AromaticContact CE2-CE1 3.72Å; Y411-F454 HydrophobicContact CE2-CE1 3.72Å; Y411-F454 AromaticContact CZ-CD1 3.59Å; Y411-F454 AromaticContact CZ-CE1 3.99Å; L414-F454 HydrophobicContact CB-CE1 4.41Å; L414-F454 HydrophobicContact CB-CE2 4.4Å; L414-F454 HydrophobicContact CB-CZ 3.59Å; L414-F454 HydrophobicContact CD1-CE1 4.33Å; L414-F454 HydrophobicContact CD1-CZ 3.97Å; L414-F454 HydrophobicContact CG-CZ 4.49Å; Q415-F454 HydrophobicContact CG-CD1 3.72Å; Q415-F454 HydrophobicContact CG-CD2 3.8Å; Q415-F454 HydrophobicContact CG-CE1 3.65Å; Q415-F454 HydrophobicContact CG-CE2 3.73Å; Q415-F454 HydrophobicContact CG-CG 3.81Å; Q415-F454 HydrophobicContact CG-CZ 3.68Å; Q415-F454 VanDerWaalsContact NE2-CD1 3.26Å; V418-F454 HydrophobicContact CG2-CE2 4.15Å; V450-F454 HydrophobicContact CG1-CD2 4.23Å; V450-F454 HydrophobicContact CG1-CE2 3.68Å; V450-F454 HydrophobicContact CG1-CZ 4.2Å; V450-F454 VanDerWaalsContact O-CD2 3.24Å; V450-F454 WeakPolarHBondContact O-CD2 3.18Å; V450-F454 PolarHBondContact O-N 2.96Å; V450-F454 VanDerWaalsContact O-N 3.08Å; L451-F454 PolarHBondContact O-N 2.9Å; F454-L456 VanDerWaalsContact C-N 3.33Å; F454-N457 CarbonylContact O-C 3.59Å; F454-Y464 HydrophobicContact CB-CE2 4.01Å |
| 455 | L | 86.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 173.9 | -84.1 | 168.1 | 0 | 0 | 0 | 113.1 | L451 N452 A453 Y464 L466 L473 I494 C495 | L451-L455 PolarHBondContact O-N 3.03Å; L451-L455 VanDerWaalsContact O-N 3.15Å; N452-L455 WeakPolarHBondContact O-CB 3.26Å; N452-L455 PolarHBondContact O-N 2.82Å; A453-L455 VanDerWaalsContact C-N 3.33Å; A453-L455 PolarHBondContact O-N 2.97Å; L455-Y464 HydrophobicContact CD2-CE1 3.59Å; L455-Y464 HydrophobicContact CG-CE1 4.06Å; L455-L466 HydrophobicContact CD2-CD1 3.65Å; L455-L473 HydrophobicContact CD1-CD1 3.55Å; L455-I494 HydrophobicContact CB-CG2 4.05Å; L455-C495 WeakPolarHBondContact CD2-SG 3.37Å |
| 456 | L | 85.9 | Confident | 85.3 | Confident | 98 Ų | 98 | 41.5 Ų | 41.5 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -84.5 | -28.6 | -178.7 | -68.8 | 169.9 | 0 | 0 | 0 | 113.1 | N452 A453 F454 P458 I494 | N452-L456 WeakPolarHBondContact O-CG 3.36Å; N452-L456 PolarHBondContact O-N 3.44Å; A453-L456 PolarHBondContact O-N 3.45Å; F454-L456 VanDerWaalsContact C-N 3.33Å; L456-P458 VanDerWaalsContact C-CD 3.45Å; L456-P458 WeakPolarHBondContact O-CD 3.37Å; L456-I494 HydrophobicContact CD1-CD1 4.03Å; L456-I494 HydrophobicContact CD2-CD1 3.97Å; L456-I494 HydrophobicContact CD2-CG1 4.08Å; L456-I494 HydrophobicContact CD2-CG2 3.72Å; L456-I494 HydrophobicContact CG-CD1 3.98Å; L456-I494 HydrophobicContact CG-CG2 4.26Å |
| 457 | N | 86.2 | Confident | 85 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -127.2 | 68.2 | -176.4 | -67.9 | -88.5 | 0 | 0 | 0 | 111.6 | V399 S400 Y411 A453 F454 | V399-N457 VanDerWaalsContact O-CB 3.24Å; V399-N457 WeakPolarHBondContact O-CB 3.37Å; S400-N457 PolarHBondContact O-ND2 3.09Å; Y411-N457 PolarHBondContact OH-O 3.04Å; A453-N457 PolarHBondContact O-N 2.83Å; F454-N457 CarbonylContact O-C 3.59Å |
| 458 | P | 83.6 | Confident | 84.8 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | trans | -64.1 | 131.4 | 174.2 | 27.2 | -34.3 | 0 | 0 | 0 | 111.3 | Y411 L456 | Y411-P458 VanDerWaalsContact OH-CA 3.28Å; Y411-P458 WeakPolarHBondContact OH-CA 3.22Å; L456-P458 VanDerWaalsContact C-CD 3.45Å; L456-P458 WeakPolarHBondContact O-CD 3.37Å | ||
| 459 | H | 86.8 | Confident | 84.6 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | trans | -77.2 | 128.2 | 175.8 | 174.9 | -84.9 | 0 | 0 | 0 | 111 | L406 Y411 K461 S462 | L406-H459 PolarHBondContact O-CD2 3.33Å; L406-H459 VanDerWaalsContact O-CD2 3.24Å; L406-H459 PolarHBondContact O-NE2 3.48Å; L406-H459 VanDerWaalsContact O-NE2 3.09Å; Y411-H459 HydrophobicContact CD1-CB 3.49Å; Y411-H459 VanDerWaalsContact CD1-CB 3.49Å; Y411-H459 HydrophobicContact CD2-CB 3.74Å; Y411-H459 HydrophobicContact CE1-CB 3.44Å; Y411-H459 VanDerWaalsContact CE1-CB 3.44Å; Y411-H459 HydrophobicContact CE2-CB 3.71Å; Y411-H459 HydrophobicContact CG-CB 3.63Å; Y411-H459 PolarHBondContact OH-N 3.5Å; H459-K461 VanDerWaalsContact C-N 3.32Å; H459-K461 PolarHBondContact CE1-N 2.92Å; H459-K461 PolarHBondContact ND1-N 2.99Å; H459-K461 PolarHBondContact O-N 3.33Å; H459-S462 PolarHBondContact ND1-N 2.91Å; H459-S462 PolarHBondContact O-N 3.31Å; H459-S462 VanDerWaalsContact O-N 3.13Å | ||
| 460 | P | 82.5 | Confident | 84.3 | Confident | 103 Ų | 103 | 48 Ų | 48 | 67% | 0.669 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.5 | -166.3 | 23.6 | -34.9 | 0 | 0 | 0 | 114.8 | ||
| 461 | K | 82.2 | Confident | 84.1 | Confident | 122 Ų | 122 | 51.3 Ų | 51.3 | 53% | 0.53 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 18.8 | 179.8 | -48.7 | -177.6 | 176.8 | 178 | 0 | 113.6 | H459 N517 T518 | H459-K461 VanDerWaalsContact C-N 3.32Å; H459-K461 PolarHBondContact CE1-N 2.92Å; H459-K461 PolarHBondContact ND1-N 2.99Å; H459-K461 PolarHBondContact O-N 3.33Å; K461-N517 PolarHBondContact NZ-O 3.47Å; K461-T518 PolarHBondContact NZ-O 3.16Å |
| 462 | S | 77 | Confident | 83.9 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -129.5 | 121.4 | 177.4 | -180 | 0 | 0 | 0 | 0 | 111 | H459 Y464 | H459-S462 PolarHBondContact ND1-N 2.91Å; H459-S462 PolarHBondContact O-N 3.31Å; H459-S462 VanDerWaalsContact O-N 3.13Å; S462-Y464 PolarHBondContact O-N 3.12Å |
| 463 | P | 69.6 | Low | 83.9 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 60% | 0.604 | 28% | 0.278 | S | S | * | . | trans | -66 | 127.1 | 177 | 28.3 | -33.7 | 0 | 0 | 0 | 110.3 | ||||
| 464 | Y | 71.9 | Confident | 83.8 | Confident | 46 Ų | 46 | 58.3 Ų | 58.3 | 18% | 0.18 | 30% | 0.303 | C | S | . | . | trans | -81.7 | 136.1 | 175.1 | -177.4 | -135.3 | 0 | 0 | 0 | 111 | L451 F454 L455 S462 L466 | L451-Y464 VanDerWaalsContact CD1-OH 3.27Å; L451-Y464 WeakPolarHBondContact CD1-OH 3.5Å; F454-Y464 HydrophobicContact CB-CE2 4.01Å; L455-Y464 HydrophobicContact CD2-CE1 3.59Å; L455-Y464 HydrophobicContact CG-CE1 4.06Å; S462-Y464 PolarHBondContact O-N 3.12Å; Y464-L466 HydrophobicContact CD1-CB 3.72Å; Y464-L466 HydrophobicContact CD1-CD1 3.83Å; Y464-L466 HydrophobicContact CD1-CG 4.36Å; Y464-L466 HydrophobicContact CE1-CB 4.15Å; Y464-L466 HydrophobicContact CE1-CD1 3.66Å; Y464-L466 PolarHBondContact O-N 3.25Å | ||
| 465 | Y | 80 | Confident | 83.6 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | trans | -74.9 | 51.1 | 173.6 | -59.9 | -79.3 | 0 | 0 | 0 | 112.2 | Q412 Q415 L416 L419 N467 V468 G469 | Q412-Y465 HydrophobicContact CG-CE2 4.12Å; Q412-Y465 PolarHBondContact NE2-OH 3.31Å; Q415-Y465 HydrophobicContact CB-CD2 4.49Å; L416-Y465 HydrophobicContact CD2-CD2 4.27Å; L416-Y465 HydrophobicContact CD2-CE1 4.34Å; L416-Y465 HydrophobicContact CD2-CE2 3.61Å; L416-Y465 HydrophobicContact CG-CE2 3.79Å; L419-Y465 HydrophobicContact CD1-CD2 3.94Å; L419-Y465 HydrophobicContact CD1-CG 4.04Å; Y465-N467 VanDerWaalsContact C-N 3.33Å; Y465-N467 PolarHBondContact O-N 2.89Å; Y465-V468 PolarHBondContact O-N 3.38Å; Y465-G469 PolarHBondContact O-N 2.9Å | ||
| 466 | L | 76.5 | Confident | 83.6 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 38% | 0.382 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -52.1 | -46 | -168.4 | -179.7 | 59.1 | 0 | 0 | 0 | 113 | L455 Y464 V468 G469 I470 | L455-L466 HydrophobicContact CD2-CD1 3.65Å; Y464-L466 HydrophobicContact CD1-CB 3.72Å; Y464-L466 HydrophobicContact CD1-CD1 3.83Å; Y464-L466 HydrophobicContact CD1-CG 4.36Å; Y464-L466 HydrophobicContact CE1-CB 4.15Å; Y464-L466 HydrophobicContact CE1-CD1 3.66Å; Y464-L466 PolarHBondContact O-N 3.25Å; L466-V468 PolarHBondContact O-N 3.01Å; L466-G469 PolarHBondContact O-N 3.21Å; L466-I470 HydrophobicContact CD1-CD1 3.75Å; L466-I470 HydrophobicContact CD1-CG1 4.06Å; L466-I470 HydrophobicContact CD2-CD1 4.5Å; L466-I470 HydrophobicContact CG-CD1 3.76Å; L466-I470 HydrophobicContact CG-CG1 4.43Å; L466-I470 WeakPolarHBondContact O-CB 3.46Å; L466-I470 VanDerWaalsContact O-CG1 3.3Å; L466-I470 WeakPolarHBondContact O-CG1 3.36Å; L466-I470 PolarHBondContact O-N 3.49Å |
| 467 | N | 83.5 | Confident | 83.6 | Confident | 122 Ų | 122 | 61 Ų | 61 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | -179.8 | -62.3 | -10.5 | 0 | 0 | 0 | 111.8 | Y465 I470 D471 | Y465-N467 VanDerWaalsContact C-N 3.33Å; Y465-N467 PolarHBondContact O-N 2.89Å; N467-I470 PolarHBondContact O-N 3.38Å; N467-D471 PolarHBondContact O-N 2.95Å |
| 468 | V | 86.6 | Confident | 83.6 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 44% | 0.436 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 178 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | L419 Y465 L466 D471 L472 | L419-V468 HydrophobicContact CD2-CG1 4.2Å; Y465-V468 PolarHBondContact O-N 3.38Å; L466-V468 PolarHBondContact O-N 3.01Å; V468-D471 PolarHBondContact O-N 3.23Å; V468-L472 HydrophobicContact CG1-CD1 4.42Å; V468-L472 WeakPolarHBondContact O-CG 3.49Å; V468-L472 PolarHBondContact O-N 3.18Å |
| 469 | G | 85.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y465 L466 D471 L472 L473 | Y465-G469 PolarHBondContact O-N 2.9Å; L466-G469 PolarHBondContact O-N 3.21Å; G469-D471 PolarHBondContact O-N 3.34Å; G469-L472 PolarHBondContact O-N 3.31Å; G469-L473 WeakPolarHBondContact O-CD1 3.41Å; G469-L473 VanDerWaalsContact O-CG 3.25Å; G469-L473 WeakPolarHBondContact O-CG 3.28Å; G469-L473 PolarHBondContact O-N 3.32Å |
| 470 | I | 86.5 | Confident | 82.7 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.5 | -72.9 | 171.4 | 0 | 0 | 0 | 111.2 | L466 N467 L473 R474 L492 C495 | L466-I470 HydrophobicContact CD1-CD1 3.75Å; L466-I470 HydrophobicContact CD1-CG1 4.06Å; L466-I470 HydrophobicContact CD2-CD1 4.5Å; L466-I470 HydrophobicContact CG-CD1 3.76Å; L466-I470 HydrophobicContact CG-CG1 4.43Å; L466-I470 WeakPolarHBondContact O-CB 3.46Å; L466-I470 VanDerWaalsContact O-CG1 3.3Å; L466-I470 WeakPolarHBondContact O-CG1 3.36Å; L466-I470 PolarHBondContact O-N 3.49Å; N467-I470 PolarHBondContact O-N 3.38Å; I470-L473 CarbonylContact O-C 3.58Å; I470-L473 PolarHBondContact O-N 2.62Å; I470-R474 HydrophobicContact CG2-CG 4.36Å; I470-R474 WeakPolarHBondContact O-CG 3.37Å; I470-R474 PolarHBondContact O-N 2.86Å; I470-L492 HydrophobicContact CG2-CD2 4.26Å; I470-C495 HydrophobicContact CD1-CB 4.27Å; I470-C495 HydrophobicContact CG1-CB 4.32Å |
| 471 | D | 89.1 | Confident | 82.1 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.4 | -33.5 | -179 | -74.5 | -25.6 | 0 | 0 | 0 | 113 | N467 V468 G469 R474 R475 | N467-D471 PolarHBondContact O-N 2.95Å; V468-D471 PolarHBondContact O-N 3.23Å; G469-D471 PolarHBondContact O-N 3.34Å; D471-R474 PolarHBondContact O-N 3.4Å; D471-R474 WeakPolarHBondContact OD1-CD 3.34Å; D471-R474 IonicContact OD1-CZ 2.67Å; D471-R474 IonicContact OD1-NE 2.78Å; D471-R474 IonicContact OD1-NH1 3.84Å; D471-R474 PolarHBondContact OD1-NH1 2.64Å; D471-R475 WeakPolarHBondContact O-CG 3.38Å; D471-R475 PolarHBondContact O-N 2.58Å; D471-R475 VanDerWaalsContact O-N 3.11Å |
| 472 | L | 88.5 | Confident | 81.9 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 169.6 | -66.1 | 173.1 | 0 | 0 | 0 | 111.7 | L419 L422 P423 V468 G469 R475 G476 | L419-L472 HydrophobicContact CD2-CD1 3.65Å; L422-L472 HydrophobicContact CB-CD1 4.14Å; L422-L472 HydrophobicContact CD1-CD1 4.06Å; P423-L472 HydrophobicContact CG-CD2 3.86Å; V468-L472 HydrophobicContact CG1-CD1 4.42Å; V468-L472 WeakPolarHBondContact O-CG 3.49Å; V468-L472 PolarHBondContact O-N 3.18Å; G469-L472 PolarHBondContact O-N 3.31Å; L472-R475 PolarHBondContact O-N 3.08Å; L472-G476 PolarHBondContact O-N 2.82Å |
| 473 | L | 90 | Very high | 82.4 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 174.9 | -68.9 | 164.1 | 0 | 0 | 0 | 112.2 | L451 L455 G469 I470 G476 A477 S488 L492 | L451-L473 HydrophobicContact CD2-CD1 4.21Å; L451-L473 HydrophobicContact CD2-CD2 4.1Å; L451-L473 HydrophobicContact CD2-CG 3.85Å; L455-L473 HydrophobicContact CD1-CD1 3.55Å; G469-L473 WeakPolarHBondContact O-CD1 3.41Å; G469-L473 VanDerWaalsContact O-CG 3.25Å; G469-L473 WeakPolarHBondContact O-CG 3.28Å; G469-L473 PolarHBondContact O-N 3.32Å; I470-L473 CarbonylContact O-C 3.58Å; I470-L473 PolarHBondContact O-N 2.62Å; L473-G476 PolarHBondContact O-N 2.82Å; L473-A477 WeakPolarHBondContact O-CB 3.32Å; L473-A477 PolarHBondContact O-N 2.64Å; L473-S488 WeakPolarHBondContact O-CB 3.38Å; L473-L492 HydrophobicContact CB-CD2 3.77Å; L473-L492 HydrophobicContact CB-CG 3.99Å |
| 474 | R | 91 | Very high | 83.1 | Confident | 147 Ų | 147 | 66.6 Ų | 66.6 | 56% | 0.555 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 171.4 | -74.6 | 169 | 177.3 | 155.1 | -2.4 | 111.4 | I470 D471 A477 A478 L492 | I470-R474 HydrophobicContact CG2-CG 4.36Å; I470-R474 WeakPolarHBondContact O-CG 3.37Å; I470-R474 PolarHBondContact O-N 2.86Å; D471-R474 PolarHBondContact O-N 3.4Å; D471-R474 WeakPolarHBondContact OD1-CD 3.34Å; D471-R474 IonicContact OD1-CZ 2.67Å; D471-R474 IonicContact OD1-NE 2.78Å; D471-R474 IonicContact OD1-NH1 3.84Å; D471-R474 PolarHBondContact OD1-NH1 2.64Å; R474-A477 PolarHBondContact O-N 3.06Å; R474-A478 PolarHBondContact O-N 3.42Å; R474-L492 HydrophobicContact CG-CD1 4.47Å; R474-L492 HydrophobicContact CG-CD2 4.03Å |
| 475 | R | 86.8 | Confident | 83.9 | Confident | 147 Ų | 147 | 65.2 Ų | 65.2 | 56% | 0.555 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.8 | -47.7 | 174.9 | -66.6 | 169.1 | -166.4 | -166.1 | 2.4 | 111.7 | D471 L472 A477 A478 | D471-R475 WeakPolarHBondContact O-CG 3.38Å; D471-R475 PolarHBondContact O-N 2.58Å; D471-R475 VanDerWaalsContact O-N 3.11Å; L472-R475 PolarHBondContact O-N 3.08Å; R475-A477 VanDerWaalsContact C-N 3.28Å; R475-A477 PolarHBondContact O-N 3.46Å; R475-A478 PolarHBondContact O-N 3.04Å; R475-A478 VanDerWaalsContact O-N 3.14Å |
| 476 | G | 85.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -31.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L472 L473 A478 D479 T485 S488 | L472-G476 PolarHBondContact O-N 2.82Å; L473-G476 PolarHBondContact O-N 2.82Å; G476-A478 VanDerWaalsContact C-N 3.26Å; G476-A478 PolarHBondContact O-N 3.34Å; G476-D479 WeakPolarHBondContact O-CB 3.26Å; G476-D479 PolarHBondContact O-N 3.49Å; G476-T485 WeakPolarHBondContact O-CA 3.09Å; G476-T485 PolarHBondContact O-OG1 3.3Å; G476-S488 VanDerWaalsContact C-CB 3.44Å; G476-S488 WeakPolarHBondContact CA-OG 3.46Å |
| 477 | A | 87.4 | Confident | 85.1 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -11.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L473 R474 R475 K489 L492 | L473-A477 WeakPolarHBondContact O-CB 3.32Å; L473-A477 PolarHBondContact O-N 2.64Å; R474-A477 PolarHBondContact O-N 3.06Å; R475-A477 VanDerWaalsContact C-N 3.28Å; R475-A477 PolarHBondContact O-N 3.46Å; A477-K489 HydrophobicContact CB-CG 3.84Å; A477-K489 WeakPolarHBondContact O-CE 3.49Å; A477-L492 HydrophobicContact CB-CD1 3.76Å |
| 478 | A | 85 | Confident | 85.4 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 1.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R474 R475 G476 | R474-A478 PolarHBondContact O-N 3.42Å; R475-A478 PolarHBondContact O-N 3.04Å; R475-A478 VanDerWaalsContact O-N 3.14Å; G476-A478 VanDerWaalsContact C-N 3.26Å; G476-A478 PolarHBondContact O-N 3.34Å |
| 479 | D | 78.2 | Confident | 85.7 | Confident | 54 Ų | 54 | 59 Ų | 59 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -79.5 | 158.3 | -176.1 | -162.5 | 0.7 | 0 | 0 | 0 | 113.1 | R444 G476 G481 T485 | R444-D479 IonicContact CZ-OD2 2.7Å; R444-D479 IonicContact NH1-OD2 3.14Å; R444-D479 PolarHBondContact NH1-OD2 2.78Å; R444-D479 IonicContact NH2-OD2 2.64Å; G476-D479 WeakPolarHBondContact O-CB 3.26Å; G476-D479 PolarHBondContact O-N 3.49Å; D479-G481 PolarHBondContact O-N 3.09Å; D479-T485 PolarHBondContact O-OG1 3.28Å |
| 480 | K | 73.5 | Confident | 86 | Confident | 159 Ų | 159 | 64 Ų | 64 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -75.1 | 7.6 | 177 | -53.2 | 177.7 | -171.8 | 170.8 | 0 | 113.6 | E430 | E430-K480 IonicContact OE1-NZ 2.71Å; E430-K480 PolarHBondContact OE1-NZ 3.27Å; E430-K480 IonicContact OE2-NZ 3.92Å |
| 481 | G | 71 | Confident | 86.2 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | trans | -113.4 | 93.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D479 I483 L484 T485 | D479-G481 PolarHBondContact O-N 3.09Å; G481-I483 VanDerWaalsContact C-N 3.34Å; G481-I483 PolarHBondContact O-N 2.68Å; G481-L484 PolarHBondContact O-N 3.28Å; G481-T485 PolarHBondContact O-N 3.22Å; G481-T485 PolarHBondContact O-OG1 2.85Å | ||
| 482 | D | 77.2 | Confident | 86.3 | Confident | 141 Ų | 141 | 61.3 Ų | 61.3 | 75% | 0.754 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -34.6 | -55 | -171.5 | -56.4 | -36.2 | 0 | 0 | 0 | 115.8 | T485 A486 | D482-T485 PolarHBondContact O-N 2.99Å; D482-A486 VanDerWaalsContact O-CB 3.24Å; D482-A486 WeakPolarHBondContact O-CB 3.35Å; D482-A486 PolarHBondContact O-N 2.96Å |
| 483 | I | 86.9 | Confident | 86.4 | Confident | 111 Ų | 111 | 62.8 Ų | 62.8 | 57% | 0.569 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | -176.5 | -57.6 | 176.7 | 0 | 0 | 0 | 111.3 | T445 G481 L487 | T445-I483 HydrophobicContact CG2-CG2 3.88Å; G481-I483 VanDerWaalsContact C-N 3.34Å; G481-I483 PolarHBondContact O-N 2.68Å; I483-L487 HydrophobicContact CG2-CD1 4.15Å; I483-L487 WeakPolarHBondContact O-CB 3.49Å; I483-L487 VanDerWaalsContact O-CG 3.29Å; I483-L487 WeakPolarHBondContact O-CG 3.49Å; I483-L487 PolarHBondContact O-N 2.82Å |
| 484 | L | 85 | Confident | 86.3 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 178.8 | 179.5 | 62.7 | 0 | 0 | 0 | 110.7 | R444 C448 G481 A486 L487 S488 | R444-L484 HydrophobicContact CG-CD1 4.37Å; R444-L484 HydrophobicContact CG-CD2 3.84Å; R444-L484 VanDerWaalsContact NH1-CD2 3.34Å; C448-L484 HydrophobicContact CB-CD1 3.63Å; G481-L484 PolarHBondContact O-N 3.28Å; L484-A486 VanDerWaalsContact C-N 3.34Å; L484-A486 PolarHBondContact O-N 3.49Å; L484-L487 PolarHBondContact O-N 3.16Å; L484-S488 VanDerWaalsContact O-CB 3.26Å; L484-S488 WeakPolarHBondContact O-CB 3.47Å; L484-S488 PolarHBondContact O-N 3.13Å; L484-S488 PolarHBondContact O-OG 3.36Å |
| 485 | T | 88 | Confident | 86.1 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.104 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | G476 D479 G481 D482 K489 | G476-T485 WeakPolarHBondContact O-CA 3.09Å; G476-T485 PolarHBondContact O-OG1 3.3Å; D479-T485 PolarHBondContact O-OG1 3.28Å; G481-T485 PolarHBondContact O-N 3.22Å; G481-T485 PolarHBondContact O-OG1 2.85Å; D482-T485 PolarHBondContact O-N 2.99Å; T485-K489 HydrophobicContact CG2-CD 4.13Å; T485-K489 WeakPolarHBondContact O-CB 3.3Å; T485-K489 WeakPolarHBondContact O-CG 3.46Å; T485-K489 PolarHBondContact O-N 3.48Å |
| 486 | A | 90.9 | Very high | 86.1 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.8 | -47.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D482 L484 S488 K489 H490 | D482-A486 VanDerWaalsContact O-CB 3.24Å; D482-A486 WeakPolarHBondContact O-CB 3.35Å; D482-A486 PolarHBondContact O-N 2.96Å; L484-A486 VanDerWaalsContact C-N 3.34Å; L484-A486 PolarHBondContact O-N 3.49Å; A486-S488 VanDerWaalsContact C-N 3.3Å; A486-S488 PolarHBondContact O-N 2.91Å; A486-K489 PolarHBondContact O-N 3.29Å; A486-H490 WeakPolarHBondContact O-CB 3.44Å; A486-H490 PolarHBondContact O-N 2.98Å |
| 487 | L | 90.4 | Very high | 86.1 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -36.5 | 176.5 | -75.4 | 171.8 | 0 | 0 | 0 | 112.7 | T445 R449 N452 I483 L484 H490 G491 | T445-L487 HydrophobicContact CG2-CD1 3.66Å; R449-L487 HydrophobicContact CG-CD1 3.87Å; R449-L487 HydrophobicContact CG-CD2 4.09Å; N452-L487 PolarHBondContact ND2-O 3.36Å; I483-L487 HydrophobicContact CG2-CD1 4.15Å; I483-L487 WeakPolarHBondContact O-CB 3.49Å; I483-L487 VanDerWaalsContact O-CG 3.29Å; I483-L487 WeakPolarHBondContact O-CG 3.49Å; I483-L487 PolarHBondContact O-N 2.82Å; L484-L487 PolarHBondContact O-N 3.16Å; L487-H490 WeakPolarHBondContact O-CB 3.43Å; L487-H490 PolarHBondContact O-N 2.87Å; L487-G491 PolarHBondContact O-N 3.19Å |
| 488 | S | 91.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -73.8 | -41.7 | 179.7 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | L473 G476 L484 A486 H490 G491 L492 | L473-S488 WeakPolarHBondContact O-CB 3.38Å; G476-S488 VanDerWaalsContact C-CB 3.44Å; G476-S488 WeakPolarHBondContact CA-OG 3.46Å; L484-S488 VanDerWaalsContact O-CB 3.26Å; L484-S488 WeakPolarHBondContact O-CB 3.47Å; L484-S488 PolarHBondContact O-N 3.13Å; L484-S488 PolarHBondContact O-OG 3.36Å; A486-S488 VanDerWaalsContact C-N 3.3Å; A486-S488 PolarHBondContact O-N 2.91Å; S488-H490 VanDerWaalsContact C-N 3.29Å; S488-H490 PolarHBondContact O-N 3.5Å; S488-G491 PolarHBondContact O-N 2.92Å; S488-L492 WeakPolarHBondContact O-CG 3.21Å; S488-L492 PolarHBondContact O-N 3.49Å |
| 489 | K | 92.4 | Very high | 85.7 | Confident | 119 Ų | 119 | 66.8 Ų | 66.8 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 170.1 | -73.2 | 170.6 | -178.2 | 175.2 | 0 | 112.3 | A477 T485 A486 S493 | A477-K489 HydrophobicContact CB-CG 3.84Å; A477-K489 WeakPolarHBondContact O-CE 3.49Å; T485-K489 HydrophobicContact CG2-CD 4.13Å; T485-K489 WeakPolarHBondContact O-CB 3.3Å; T485-K489 WeakPolarHBondContact O-CG 3.46Å; T485-K489 PolarHBondContact O-N 3.48Å; A486-K489 PolarHBondContact O-N 3.29Å; K489-S493 WeakPolarHBondContact O-CB 3.28Å; K489-S493 PolarHBondContact O-N 2.87Å |
| 490 | H | 91.9 | Very high | 86 | Confident | 106 Ų | 106 | 71.9 Ų | 71.9 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 172.4 | -176.7 | -109.8 | 0 | 0 | 0 | 111.8 | A486 L487 S488 L492 S493 I494 | A486-H490 WeakPolarHBondContact O-CB 3.44Å; A486-H490 PolarHBondContact O-N 2.98Å; L487-H490 WeakPolarHBondContact O-CB 3.43Å; L487-H490 PolarHBondContact O-N 2.87Å; S488-H490 VanDerWaalsContact C-N 3.29Å; S488-H490 PolarHBondContact O-N 3.5Å; H490-L492 PolarHBondContact O-N 3.35Å; H490-S493 PolarHBondContact O-N 2.85Å; H490-S493 VanDerWaalsContact O-N 3.16Å; H490-I494 WeakPolarHBondContact O-CG1 3.3Å; H490-I494 PolarHBondContact O-N 3.39Å |
| 491 | G | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N452 L487 S488 S493 I494 C495 | N452-G491 WeakPolarHBondContact OD1-CA 3.29Å; L487-G491 PolarHBondContact O-N 3.19Å; S488-G491 PolarHBondContact O-N 2.92Å; G491-S493 PolarHBondContact O-N 3.19Å; G491-I494 WeakPolarHBondContact O-CB 3.44Å; G491-I494 PolarHBondContact O-N 2.89Å; G491-C495 PolarHBondContact O-N 3.39Å; G491-C495 PolarHBondContact O-SG 2.63Å |
| 492 | L | 91.6 | Very high | 86.8 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 19% | 0.188 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 173.1 | -65.3 | 174.7 | 0 | 0 | 0 | 111.9 | I470 L473 R474 A477 S488 H490 I494 C495 D496 | I470-L492 HydrophobicContact CG2-CD2 4.26Å; L473-L492 HydrophobicContact CB-CD2 3.77Å; L473-L492 HydrophobicContact CB-CG 3.99Å; R474-L492 HydrophobicContact CG-CD1 4.47Å; R474-L492 HydrophobicContact CG-CD2 4.03Å; A477-L492 HydrophobicContact CB-CD1 3.76Å; S488-L492 WeakPolarHBondContact O-CG 3.21Å; S488-L492 PolarHBondContact O-N 3.49Å; H490-L492 PolarHBondContact O-N 3.35Å; L492-I494 VanDerWaalsContact C-N 3.3Å; L492-I494 PolarHBondContact O-N 2.73Å; L492-C495 WeakPolarHBondContact O-CB 3.17Å; L492-C495 PolarHBondContact O-N 2.96Å; L492-C495 VanDerWaalsContact O-N 3.14Å; L492-D496 PolarHBondContact O-N 3.08Å |
| 493 | S | 90.9 | Very high | 86.8 | Confident | 43 Ų | 43 | 72.9 Ų | 72.9 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -30.5 | 176.2 | -165.4 | 0 | 0 | 0 | 0 | 113.1 | K489 H490 G491 R497 | K489-S493 WeakPolarHBondContact O-CB 3.28Å; K489-S493 PolarHBondContact O-N 2.87Å; H490-S493 PolarHBondContact O-N 2.85Å; H490-S493 VanDerWaalsContact O-N 3.16Å; G491-S493 PolarHBondContact O-N 3.19Å; S493-R497 WeakPolarHBondContact O-CB 3.48Å; S493-R497 WeakPolarHBondContact O-CD 3.45Å; S493-R497 WeakPolarHBondContact O-CG 3.38Å; S493-R497 PolarHBondContact O-N 3.32Å |
| 494 | I | 87.9 | Confident | 86.2 | Confident | 15 Ų | 15 | 73.9 Ų | 73.9 | 8% | 0.077 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.3 | -50.6 | 169.5 | -68.5 | 160.8 | 0 | 0 | 0 | 109.7 | L455 L456 H490 G491 L492 D496 R497 I498 | L455-I494 HydrophobicContact CB-CG2 4.05Å; L456-I494 HydrophobicContact CD1-CD1 4.03Å; L456-I494 HydrophobicContact CD2-CD1 3.97Å; L456-I494 HydrophobicContact CD2-CG1 4.08Å; L456-I494 HydrophobicContact CD2-CG2 3.72Å; L456-I494 HydrophobicContact CG-CD1 3.98Å; L456-I494 HydrophobicContact CG-CG2 4.26Å; H490-I494 WeakPolarHBondContact O-CG1 3.3Å; H490-I494 PolarHBondContact O-N 3.39Å; G491-I494 WeakPolarHBondContact O-CB 3.44Å; G491-I494 PolarHBondContact O-N 2.89Å; L492-I494 VanDerWaalsContact C-N 3.3Å; L492-I494 PolarHBondContact O-N 2.73Å; I494-D496 VanDerWaalsContact C-N 3.35Å; I494-D496 PolarHBondContact O-N 3.12Å; I494-R497 PolarHBondContact O-N 2.82Å; I494-I498 HydrophobicContact CG2-CD1 3.7Å; I494-I498 HydrophobicContact CG2-CG1 4.49Å; I494-I498 WeakPolarHBondContact O-CG1 3.47Å; I494-I498 PolarHBondContact O-N 2.92Å |
| 495 | C | 86.7 | Confident | 85.6 | Confident | 14 Ų | 14 | 78.2 Ų | 78.2 | 10% | 0.095 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 176.5 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | L455 I470 G491 L492 R497 I498 A499 | L455-C495 WeakPolarHBondContact CD2-SG 3.37Å; I470-C495 HydrophobicContact CD1-CB 4.27Å; I470-C495 HydrophobicContact CG1-CB 4.32Å; G491-C495 PolarHBondContact O-N 3.39Å; G491-C495 PolarHBondContact O-SG 2.63Å; L492-C495 WeakPolarHBondContact O-CB 3.17Å; L492-C495 PolarHBondContact O-N 2.96Å; L492-C495 VanDerWaalsContact O-N 3.14Å; C495-R497 PolarHBondContact O-N 3.24Å; C495-I498 PolarHBondContact O-N 2.93Å; C495-A499 WeakPolarHBondContact O-CB 3.28Å; C495-A499 PolarHBondContact O-N 3.19Å |
| 496 | D | 87.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 81 Ų | 81 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 179.1 | -74.7 | -36.1 | 0 | 0 | 0 | 112 | L492 I494 A499 K500 | L492-D496 PolarHBondContact O-N 3.08Å; I494-D496 VanDerWaalsContact C-N 3.35Å; I494-D496 PolarHBondContact O-N 3.12Å; D496-A499 PolarHBondContact O-N 3.48Å; D496-K500 WeakPolarHBondContact O-CA 3.31Å; D496-K500 WeakPolarHBondContact O-CB 3.27Å; D496-K500 PolarHBondContact O-N 3.07Å |
| 497 | R | 85.6 | Confident | 83.1 | Confident | 171 Ų | 171 | 88.1 Ų | 88.1 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70 | -33 | 177.2 | -72.8 | 169.2 | -171.2 | -153.1 | 1.1 | 113.1 | S493 I494 C495 K500 P501 | S493-R497 WeakPolarHBondContact O-CB 3.48Å; S493-R497 WeakPolarHBondContact O-CD 3.45Å; S493-R497 WeakPolarHBondContact O-CG 3.38Å; S493-R497 PolarHBondContact O-N 3.32Å; I494-R497 PolarHBondContact O-N 2.82Å; C495-R497 PolarHBondContact O-N 3.24Å; R497-K500 CarbonylContact O-C 3.54Å; R497-P501 WeakPolarHBondContact O-CA 3.43Å |
| 498 | I | 82.3 | Confident | 81.5 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 56% | 0.559 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.4 | -44.7 | 174.5 | -67.8 | 167.7 | 0 | 0 | 0 | 110 | I494 C495 | I494-I498 HydrophobicContact CG2-CD1 3.7Å; I494-I498 HydrophobicContact CG2-CG1 4.49Å; I494-I498 WeakPolarHBondContact O-CG1 3.47Å; I494-I498 PolarHBondContact O-N 2.92Å; C495-I498 PolarHBondContact O-N 2.93Å |
| 499 | A | 81.6 | Confident | 79.9 | Confident | 78 Ų | 78 | 96.3 Ų | 96.3 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.7 | -27.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C495 D496 | C495-A499 WeakPolarHBondContact O-CB 3.28Å; C495-A499 PolarHBondContact O-N 3.19Å; D496-A499 PolarHBondContact O-N 3.48Å |
| 500 | K | 83.8 | Confident | 77.9 | Confident | 161 Ų | 161 | 95.4 Ų | 95.4 | 70% | 0.7 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -136.2 | 81.3 | 179 | -62.3 | 176.6 | -175.6 | 170.1 | 0 | 110.1 | D496 R497 V502 | D496-K500 WeakPolarHBondContact O-CA 3.31Å; D496-K500 WeakPolarHBondContact O-CB 3.27Å; D496-K500 PolarHBondContact O-N 3.07Å; R497-K500 CarbonylContact O-C 3.54Å; K500-V502 PolarHBondContact O-N 3.33Å |
| 501 | P | 80.7 | Confident | 75.8 | Confident | 66 Ų | 66 | 94.5 Ų | 94.5 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | trans | -55.6 | 128.5 | 174.9 | -26.2 | 35.6 | 0 | 0 | 0 | 111.9 | R497 M503 I505 | R497-P501 WeakPolarHBondContact O-CA 3.43Å; P501-M503 VanDerWaalsContact C-N 3.25Å; P501-M503 PolarHBondContact O-N 3Å; P501-I505 HydrophobicContact CB-CD1 3.66Å; P501-I505 HydrophobicContact CB-CG1 4Å; P501-I505 HydrophobicContact CG-CD1 3.6Å; P501-I505 HydrophobicContact CG-CG1 4.32Å | ||
| 502 | V | 79.9 | Confident | 73.6 | Confident | 135 Ų | 135 | 99.9 Ų | 99.9 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -75.8 | -18.7 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | K500 | K500-V502 PolarHBondContact O-N 3.33Š|
| 503 | M | 77.9 | Confident | 71.1 | Confident | 147 Ų | 147 | 106.3 Ų | 106.3 | 72% | 0.724 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -102.4 | 145.5 | 174.7 | -61.6 | -66.9 | -77.7 | 0 | 0 | 109.7 | P501 I505 | P501-M503 VanDerWaalsContact C-N 3.25Å; P501-M503 PolarHBondContact O-N 3Å; M503-I505 PolarHBondContact O-N 3.02Å |
| 504 | P | 75.1 | Confident | 68.9 | Low | 131 Ų | 131 | 108.2 Ų | 108.2 | 85% | 0.851 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 123.2 | 174.9 | 27 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 505 | I | 71.8 | Confident | 66.7 | Low | 101 Ų | 101 | 115.8 Ų | 115.8 | 52% | 0.518 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -102.7 | 151.9 | 171.5 | -56.9 | -170.5 | 0 | 0 | 0 | 108.5 | P501 M503 Q507 I509 | P501-I505 HydrophobicContact CB-CD1 3.66Å; P501-I505 HydrophobicContact CB-CG1 4Å; P501-I505 HydrophobicContact CG-CD1 3.6Å; P501-I505 HydrophobicContact CG-CG1 4.32Å; M503-I505 PolarHBondContact O-N 3.02Å; I505-Q507 PolarHBondContact O-N 3.42Å; I505-I509 HydrophobicContact CG2-CD1 4.07Å; I505-I509 HydrophobicContact CG2-CG1 4.25Å |
| 506 | S | 65.2 | Low | 64.5 | Low | 76 Ų | 76 | 124.8 Ų | 124.8 | 53% | 0.531 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 128.2 | 170.7 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | S508 | S506-S508 WeakPolarHBondContact CB-O 3.33Å; S506-S508 PolarHBondContact O-N 3.35Å; S506-S508 PolarHBondContact OG-N 2.93Å; S506-S508 PolarHBondContact OG-O 3.5Å; S506-S508 PolarHBondContact OG-OG 2.98Å |
| 507 | Q | 61.1 | Low | 62.1 | Low | 210 Ų | 210 | 124.4 Ų | 124.4 | 98% | 0.981 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -64.7 | -20.9 | 175.3 | -68.6 | -179.3 | -16.6 | 0 | 0 | 112.2 | I505 | I505-Q507 PolarHBondContact O-N 3.42Š|
| 508 | S | 57.1 | Low | 60.1 | Low | 82 Ų | 82 | 121.1 Ų | 121.1 | 57% | 0.573 | 66% | 0.663 | S | S | * | * | trans | -107.5 | 103 | 164.6 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | S506 | S506-S508 WeakPolarHBondContact CB-O 3.33Å; S506-S508 PolarHBondContact O-N 3.35Å; S506-S508 PolarHBondContact OG-N 2.93Å; S506-S508 PolarHBondContact OG-O 3.5Å; S506-S508 PolarHBondContact OG-OG 2.98Å | ||
| 509 | I | 56.7 | Low | 58.1 | Low | 123 Ų | 123 | 121.6 Ų | 121.6 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | trans | -87.4 | 102.9 | 155.6 | -60.8 | 170.7 | 0 | 0 | 0 | 106.2 | I505 C511 | I505-I509 HydrophobicContact CG2-CD1 4.07Å; I505-I509 HydrophobicContact CG2-CG1 4.25Å; I509-C511 PolarHBondContact O-N 3.36Å; I509-C511 VanDerWaalsContact O-N 3.09Å | ||
| 510 | T | 50.8 | Low | 56.1 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | trans | -76 | 91.2 | 173.4 | 44.8 | 0 | 0 | 0 | 0 | 109.8 | I512 | T510-I512 HydrophobicContact CG2-CD1 3.87Å; T510-I512 HydrophobicContact CG2-CG1 4.49Å; T510-I512 PolarHBondContact O-N 3.24Å | ||
| 511 | C | 48.5 | Very low | 54.1 | Low | 87 Ų | 87 | 118.1 Ų | 118.1 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | trans | -68.6 | 29.9 | 175.1 | -60.4 | 0 | 0 | 0 | 0 | 114.1 | I509 E513 A514 | I509-C511 PolarHBondContact O-N 3.36Å; I509-C511 VanDerWaalsContact O-N 3.09Å; C511-E513 PolarHBondContact O-N 2.94Å; C511-E513 VanDerWaalsContact O-N 3.12Å; C511-A514 PolarHBondContact O-N 2.89Å | ||
| 512 | I | 43.3 | Very low | 52.4 | Low | 112 Ų | 112 | 118.9 Ų | 118.9 | 57% | 0.574 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -13.1 | -164 | -71.7 | 178.1 | 0 | 0 | 0 | 113.6 | T510 | T510-I512 HydrophobicContact CG2-CD1 3.87Å; T510-I512 HydrophobicContact CG2-CG1 4.49Å; T510-I512 PolarHBondContact O-N 3.24Å |
| 513 | E | 40.1 | Very low | 50.5 | Low | 172 Ų | 172 | 114.7 Ų | 114.7 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -14.7 | 179.7 | -61.3 | -175.9 | 150 | 0 | 0 | 113.3 | C511 E515 R516 | C511-E513 PolarHBondContact O-N 2.94Å; C511-E513 VanDerWaalsContact O-N 3.12Å; E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 3.12Å; E513-R516 PolarHBondContact O-N 3.31Å |
| 514 | A | 43.3 | Very low | 48.9 | Very low | 83 Ų | 83 | 111.2 Ų | 111.2 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -24.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | C511 | C511-A514 PolarHBondContact O-N 2.89Š|
| 515 | E | 42 | Very low | 47.5 | Very low | 174 Ų | 174 | 108.9 Ų | 108.9 | 81% | 0.813 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -2.9 | -177.5 | -62.5 | -174 | 149.4 | 0 | 0 | 113.7 | E513 | E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 3.12Å |
| 516 | R | 40.3 | Very low | 46.1 | Very low | 203 Ų | 203 | 111.3 Ų | 111.3 | 77% | 0.766 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -18.4 | -173.5 | -75.5 | -175.2 | 169.6 | -178.6 | -2.2 | 115.7 | E513 | E513-R516 PolarHBondContact O-N 3.31Š|
| 517 | N | 37.2 | Very low | 44.9 | Very low | 90 Ų | 90 | 113 Ų | 113 | 48% | 0.481 | 63% | 0.632 | S | S | . | * | trans | -107.4 | 71.2 | 172.3 | -74.8 | 4 | 0 | 0 | 0 | 111 | K461 D519 D524 | K461-N517 PolarHBondContact NZ-O 3.47Å; N517-D519 PolarHBondContact O-N 2.84Å; N517-D524 PolarHBondContact ND2-OD1 3.29Å | ||
| 518 | T | 43.7 | Very low | 43.8 | Very low | 103 Ų | 103 | 109 Ų | 109 | 63% | 0.632 | 62% | 0.617 | S | S | * | * | trans | -58.7 | -39.2 | 166 | 49.3 | 0 | 0 | 0 | 0 | 110.6 | K461 G520 | K461-T518 PolarHBondContact NZ-O 3.16Å; T518-G520 PolarHBondContact O-N 3.13Å | ||
| 519 | D | 40.3 | Very low | 43.2 | Very low | 118 Ų | 118 | 107.5 Ų | 107.5 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -91.1 | 92.1 | -172.9 | -58.5 | 3.5 | 0 | 0 | 0 | 109 | N517 T521 | N517-D519 PolarHBondContact O-N 2.84Å; D519-T521 PolarHBondContact O-N 2.78Å |
| 520 | G | 38.7 | Very low | 42.3 | Very low | 57 Ų | 57 | 102.8 Ų | 102.8 | 59% | 0.588 | 59% | 0.588 | S | S | * | * | trans | -74.7 | 54.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | T518 | T518-G520 PolarHBondContact O-N 3.13Š| ||
| 521 | T | 42.6 | Very low | 41.8 | Very low | 110 Ų | 110 | 104.4 Ų | 104.4 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | trans | -103.2 | 99.1 | -173.1 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | D519 A523 | D519-T521 PolarHBondContact O-N 2.78Å; T521-A523 PolarHBondContact O-N 3.28Å | ||
| 522 | A | 44.6 | Very low | 41.4 | Very low | 81 Ų | 81 | 104.8 Ų | 104.8 | 67% | 0.669 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 62.6 | -39.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | D524 V525 E526 | A522-D524 VanDerWaalsContact C-N 3.32Å; A522-D524 PolarHBondContact O-N 3.47Å; A522-V525 WeakPolarHBondContact O-CB 3.34Å; A522-V525 PolarHBondContact O-N 3.35Å; A522-V525 VanDerWaalsContact O-N 3.1Å; A522-E526 PolarHBondContact O-N 2.83Å |
| 523 | A | 40.7 | Very low | 41.3 | Very low | 47 Ų | 47 | 106.4 Ų | 106.4 | 39% | 0.388 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59 | -37.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T521 V525 E526 I527 | T521-A523 PolarHBondContact O-N 3.28Å; A523-V525 PolarHBondContact O-N 3.07Å; A523-E526 WeakPolarHBondContact O-CA 3.33Å; A523-E526 WeakPolarHBondContact O-CB 3.38Å; A523-E526 PolarHBondContact O-N 2.92Å; A523-I527 PolarHBondContact O-N 3.31Å |
| 524 | D | 43.7 | Very low | 41.2 | Very low | 74 Ų | 74 | 103.8 Ų | 103.8 | 40% | 0.396 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.4 | -28.1 | -179.4 | -51.3 | -35.5 | 0 | 0 | 0 | 112.5 | N517 A522 L528 | N517-D524 PolarHBondContact ND2-OD1 3.29Å; A522-D524 VanDerWaalsContact C-N 3.32Å; A522-D524 PolarHBondContact O-N 3.47Å; D524-L528 PolarHBondContact O-N 3.33Å |
| 525 | V | 46.6 | Very low | 41.2 | Very low | 82 Ų | 82 | 103.8 Ų | 103.8 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.4 | -31.5 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | A522 A523 S529 | A522-V525 WeakPolarHBondContact O-CB 3.34Å; A522-V525 PolarHBondContact O-N 3.35Å; A522-V525 VanDerWaalsContact O-N 3.1Å; A523-V525 PolarHBondContact O-N 3.07Å; V525-S529 WeakPolarHBondContact O-CB 3.46Å; V525-S529 PolarHBondContact O-N 2.82Å; V525-S529 PolarHBondContact O-OG 3.39Å |
| 526 | E | 40.7 | Very low | 41.2 | Very low | 153 Ų | 153 | 102.1 Ų | 102.1 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.3 | -35.8 | 179.7 | -143.8 | 164.2 | -138.4 | 0 | 0 | 111.6 | A522 A523 S529 G530 | A522-E526 PolarHBondContact O-N 2.83Å; A523-E526 WeakPolarHBondContact O-CA 3.33Å; A523-E526 WeakPolarHBondContact O-CB 3.38Å; A523-E526 PolarHBondContact O-N 2.92Å; E526-S529 PolarHBondContact O-N 3.18Å; E526-G530 PolarHBondContact O-N 2.89Å |
| 527 | I | 41.9 | Very low | 40.9 | Very low | 111 Ų | 111 | 97.1 Ų | 97.1 | 57% | 0.569 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.5 | -46.1 | 172.7 | -64.4 | 169.6 | 0 | 0 | 0 | 111 | A523 G530 H531 | A523-I527 PolarHBondContact O-N 3.31Å; I527-G530 PolarHBondContact O-N 3.38Å; I527-H531 PolarHBondContact O-N 3.29Å |
| 528 | L | 37.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 100.5 Ų | 100.5 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.7 | -29.9 | 175.7 | -72.4 | 170 | 0 | 0 | 0 | 113 | D524 | D524-L528 PolarHBondContact O-N 3.33Å |
| 529 | S | 42.9 | Very low | 40.1 | Very low | 51 Ų | 51 | 98.8 Ų | 98.8 | 36% | 0.357 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.4 | -33.8 | 175.3 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | V525 E526 L532 Q533 | V525-S529 WeakPolarHBondContact O-CB 3.46Å; V525-S529 PolarHBondContact O-N 2.82Å; V525-S529 PolarHBondContact O-OG 3.39Å; E526-S529 PolarHBondContact O-N 3.18Å; S529-L532 PolarHBondContact O-N 3.04Å; S529-Q533 PolarHBondContact O-N 2.93Å |
| 530 | G | 39.2 | Very low | 39.7 | Very low | 24 Ų | 24 | 103.2 Ų | 103.2 | 25% | 0.247 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -63.4 | -50 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E526 I527 L532 Q533 D534 | E526-G530 PolarHBondContact O-N 2.89Å; I527-G530 PolarHBondContact O-N 3.38Å; G530-L532 PolarHBondContact O-N 2.95Å; G530-Q533 PolarHBondContact O-N 2.92Å; G530-D534 PolarHBondContact O-N 3.2Å |
| 531 | H | 40.1 | Very low | 39.4 | Very low | 134 Ų | 134 | 107.3 Ų | 107.3 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.1 | -25.6 | 175.1 | -75.7 | -27 | 0 | 0 | 0 | 113.7 | I527 S535 | I527-H531 PolarHBondContact O-N 3.29Å; H531-S535 WeakPolarHBondContact O-CB 3.24Å; H531-S535 PolarHBondContact O-N 3.47Å; H531-S535 PolarHBondContact O-OG 2.87Å |
| 532 | L | 39.3 | Very low | 39 | Very low | 95 Ų | 95 | 106.5 Ų | 106.5 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -75.2 | -40.7 | 168 | -71.5 | 169.6 | 0 | 0 | 0 | 112 | S529 G530 S535 F536 | S529-L532 PolarHBondContact O-N 3.04Å; G530-L532 PolarHBondContact O-N 2.95Å; L532-S535 CarbonylContact O-C 3.58Å; L532-S535 WeakPolarHBondContact O-CB 3.43Å; L532-S535 PolarHBondContact O-N 3.09Å; L532-F536 HydrophobicContact CB-CD2 4.42Å; L532-F536 HydrophobicContact CB-CE2 4.43Å; L532-F536 HydrophobicContact CD2-CE2 4.25Å; L532-F536 WeakPolarHBondContact O-CD2 3.39Å; L532-F536 PolarHBondContact O-N 2.72Å |
| 533 | Q | 41.4 | Very low | 38.2 | Very low | 146 Ų | 146 | 108 Ų | 108 | 68% | 0.682 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.1 | -41.1 | 177.6 | -90.3 | -177.7 | -46.8 | 0 | 0 | 113.1 | S529 G530 S535 F536 S537 | S529-Q533 PolarHBondContact O-N 2.93Å; G530-Q533 PolarHBondContact O-N 2.92Å; Q533-S535 VanDerWaalsContact C-N 3.26Å; Q533-S535 PolarHBondContact O-N 2.85Å; Q533-F536 CarbonylContact O-C 3.54Å; Q533-F536 PolarHBondContact O-N 2.93Å; Q533-F536 VanDerWaalsContact O-N 3.08Å; Q533-S537 PolarHBondContact O-N 3.49Å |
| 534 | D | 39.3 | Very low | 37.9 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.3 | -41.2 | 172.5 | -69.5 | -30.1 | 0 | 0 | 0 | 110.8 | G530 F536 S537 | G530-D534 PolarHBondContact O-N 3.2Å; D534-F536 VanDerWaalsContact C-N 3.27Å; D534-F536 PolarHBondContact O-N 3.37Å; D534-S537 PolarHBondContact O-N 3.43Å; D534-S537 PolarHBondContact O-OG 3.18Å |
| 535 | S | 41.6 | Very low | 37.6 | Very low | 84 Ų | 84 | 112.6 Ų | 112.6 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.2 | -19.5 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 114.3 | H531 L532 Q533 | H531-S535 WeakPolarHBondContact O-CB 3.24Å; H531-S535 PolarHBondContact O-N 3.47Å; H531-S535 PolarHBondContact O-OG 2.87Å; L532-S535 CarbonylContact O-C 3.58Å; L532-S535 WeakPolarHBondContact O-CB 3.43Å; L532-S535 PolarHBondContact O-N 3.09Å; Q533-S535 VanDerWaalsContact C-N 3.26Å; Q533-S535 PolarHBondContact O-N 2.85Å |
| 536 | F | 43 | Very low | 37.1 | Very low | 139 Ų | 139 | 116.5 Ų | 116.5 | 61% | 0.61 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 13.4 | 180 | -72.4 | -58.6 | 0 | 0 | 0 | 114 | L283 L532 Q533 D534 I538 | L283-F536 HydrophobicContact CD1-CE2 4.35Å; L283-F536 HydrophobicContact CD1-CZ 4.25Å; L532-F536 HydrophobicContact CB-CD2 4.42Å; L532-F536 HydrophobicContact CB-CE2 4.43Å; L532-F536 HydrophobicContact CD2-CE2 4.25Å; L532-F536 WeakPolarHBondContact O-CD2 3.39Å; L532-F536 PolarHBondContact O-N 2.72Å; Q533-F536 CarbonylContact O-C 3.54Å; Q533-F536 PolarHBondContact O-N 2.93Å; Q533-F536 VanDerWaalsContact O-N 3.08Å; D534-F536 VanDerWaalsContact C-N 3.27Å; D534-F536 PolarHBondContact O-N 3.37Å; F536-I538 PolarHBondContact O-N 3.09Å |
| 537 | S | 34.3 | Very low | 36.9 | Very low | 97 Ų | 97 | 117.2 Ų | 117.2 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | trans | -75.8 | 20.2 | 177.9 | 63.6 | 0 | 0 | 0 | 0 | 115 | Q533 D534 | Q533-S537 PolarHBondContact O-N 3.49Å; D534-S537 PolarHBondContact O-N 3.43Å; D534-S537 PolarHBondContact O-OG 3.18Å | ||
| 538 | I | 33.5 | Very low | 36.7 | Very low | 161 Ų | 161 | 117.4 Ų | 117.4 | 83% | 0.826 | 67% | 0.669 | S | S | * | * | trans | -102.1 | 108 | 178.5 | -56.9 | 177.5 | 0 | 0 | 0 | 109.8 | F536 | F536-I538 PolarHBondContact O-N 3.09Š| ||
| 539 | G | 29.6 | Very low | 36.7 | Very low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 140 | -6.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | T541 | G539-T541 PolarHBondContact O-N 2.91Š|
| 540 | K | 33 | Very low | 36.3 | Very low | 210 Ų | 210 | 121 Ų | 121 | 91% | 0.913 | 70% | 0.697 | S | S | * | * | trans | -97.6 | 63.4 | 178.7 | -78.1 | -171.9 | 176.3 | 177.6 | 0 | 113.9 | A542 | K540-A542 PolarHBondContact O-N 3.34Å; K540-A542 VanDerWaalsContact C-N 3.32Å | ||
| 541 | T | 32.3 | Very low | 36.1 | Very low | 143 Ų | 143 | 130 Ų | 130 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | trans | -84.7 | 77.4 | 159.7 | 37.7 | 0 | 0 | 0 | 0 | 110.2 | G539 | G539-T541 PolarHBondContact O-N 2.91Š| ||
| 542 | A | 32.9 | Very low | 36 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | trans | -63.2 | 149.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K540 | K540-A542 PolarHBondContact O-N 3.34Å; K540-A542 VanDerWaalsContact C-N 3.32Å | ||
| 543 | S | 29.5 | Very low | 35.9 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -69.7 | 149.6 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 544 | V | 34.3 | Very low | 35.4 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | trans | -172.4 | 126.9 | 134.1 | 139.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 545 | A | 35.9 | Very low | 35.4 | Very low | 80 Ų | 80 | 136 Ų | 136 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | 29.6 | 127.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 546 | Q | 36.8 | Very low | 35.1 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | 89.3 | 128.4 | 121.4 | -81.2 | -174.9 | 26.9 | 0 | 0 | 124.2 | |||||
| 547 | K | 36.8 | Very low | 34.5 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | 89 | 119.2 | 136.8 | -78.5 | -178.3 | 172.4 | 178.3 | 0 | 122.1 | ||||
| 548 | N | 37.2 | Very low | 34.6 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | 60.2 | 113 | 137.9 | -64.2 | 50.5 | 0 | 0 | 0 | 119.1 | ||||
| 549 | E | 37.8 | Very low | 34.6 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | 77.3 | 124.5 | 98.8 | -68.1 | 177.9 | 133.4 | 0 | 0 | 114.5 | |||||
| 550 | G | 35.2 | Very low | 35 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | cis | 168 | -175.2 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 551 | R | 35.2 | Very low | 35.2 | Very low | 213 Ų | 213 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 69.3 | 105.1 | 169.1 | -71.8 | -173.3 | 168.7 | -171.8 | 0.1 | 120.5 | ||||
| 552 | R | 37.9 | Very low | 35.5 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 67% | 0.672 | 76% | 0.764 | S | S | * | * | 92.2 | 119.1 | 116.1 | -74.3 | 179.7 | 174.4 | -172.2 | -2.7 | 121.6 | |||||
| 553 | R | 37.5 | Very low | 35.9 | Very low | 217 Ų | 217 | 139.6 Ų | 139.6 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | trans | 83.1 | 99.2 | 134.4 | -70 | 178.4 | 175.5 | -177 | -4.7 | 120 | ||||
| 554 | S | 30.9 | Very low | 36.3 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -54.7 | 173.4 | 137.3 | 6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 555 | P | 37.5 | Very low | 36.6 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | cis | -145.2 | -176.5 | 32.6 | 42 | -21.4 | 0 | 0 | 0 | 118.7 | ||||
| 556 | S | 35.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 68.6 | 139.4 | 153.2 | 47.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 557 | N | 31.6 | Very low | 36.6 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -80.3 | 152.6 | 176.4 | -53.1 | -31.8 | 0 | 0 | 0 | 111.2 | ||||
| 558 | D | 35.5 | Very low | 36.5 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | -153.7 | 167.6 | 128.9 | -131.9 | -32.3 | 0 | 0 | 0 | 113.4 | |||||
| 559 | V | 33.5 | Very low | 36.5 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | trans | -64.4 | 147.7 | -171.3 | 175.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 560 | V | 37.8 | Very low | 36.4 | Very low | 132 Ų | 132 | 146 Ų | 146 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -167.8 | 123.6 | 137.9 | 134.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 561 | V | 37.1 | Very low | 36.5 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | trans | 45.7 | 118.3 | 147.3 | -175.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 562 | A | 39.8 | Very low | 36.6 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -135.5 | -147.3 | 136.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 563 | K | 39.8 | Very low | 36.6 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | trans | -156 | 166.6 | -146.3 | -69.7 | 142 | -168.8 | 175.9 | 0 | 108.4 | ||||
| 564 | R | 39.2 | Very low | 36.5 | Very low | 212 Ų | 212 | 143.2 Ų | 143.2 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | cis | -176.9 | 164.4 | -11.9 | -101 | -175.2 | 166.9 | -168.4 | -7.1 | 104.6 | ||||
| 565 | Q | 39.1 | Very low | 36.8 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | cis | -171.1 | 160.3 | -13.8 | -115.4 | 177.8 | -125.8 | 0 | 0 | 105.9 | ||||
| 566 | R | 36.6 | Very low | 36.8 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | cis | -165.4 | 147.2 | -10.4 | -151.8 | -168.1 | 179.1 | 172 | -1.4 | 109.6 | ||||
| 567 | T | 36.5 | Very low | 36.7 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | 51.2 | 134.3 | 147.6 | 43.3 | 0 | 0 | 0 | 0 | 125 | ||||
| 568 | K | 34.6 | Very low | 37 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -38.5 | 167.1 | 147.2 | -55.5 | 173.7 | 176.6 | -179.5 | 0 | 113.8 | ||||
| 569 | S | 37.4 | Very low | 37.1 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | -178.3 | 155.6 | 52.8 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 570 | T | 35.3 | Very low | 37.1 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 46.1 | 150.3 | 146.6 | 51.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 571 | E | 37.5 | Very low | 37.1 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | cis | -169.2 | 166 | 25.5 | -138.4 | 173.5 | 121.4 | 0 | 0 | 113.5 | ||||
| 572 | S | 38.4 | Very low | 36.8 | Very low | 85 Ų | 85 | 143.4 Ų | 143.4 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | trans | 53.4 | 111.3 | 146.2 | -71.5 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 573 | Q | 36.4 | Very low | 36.6 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | 80.5 | 147.7 | 121 | -69.2 | -163.4 | 8.9 | 0 | 0 | 125.1 | |||||
| 574 | R | 36.7 | Very low | 36.1 | Very low | 213 Ų | 213 | 144.5 Ų | 144.5 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 74.1 | 144.9 | 155.2 | -76.4 | 167.7 | -169.6 | -151 | -2.1 | 118.8 | ||||
| 575 | T | 36.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | cis | -170.7 | 159.8 | -22.3 | 15.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 576 | S | 38.8 | Very low | 35.2 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 60.1 | 153.5 | 150.7 | 55.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 577 | D | 33 | Very low | 34.7 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | cis | -167.9 | -173.3 | -19.5 | -99.2 | -39.7 | 0 | 0 | 0 | 109.2 | ||||
| 578 | S | 37.5 | Very low | 34.5 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 71.1 | 124.5 | 174.9 | 61.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 579 | S | 36.8 | Very low | 34.2 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | 84.6 | 148 | 51.4 | 89.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 580 | E | 35 | Very low | 33.9 | Very low | 158 Ų | 158 | 141 Ų | 141 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | cis | -157.1 | -161.1 | -4.4 | -139.4 | 175.7 | -148.9 | 0 | 0 | 110.9 | ||||
| 581 | H | 37.1 | Very low | 33.5 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | 73 | 120.4 | -179.6 | -54.9 | -70.6 | 0 | 0 | 0 | 116.1 | ||||
| 582 | V | 31.4 | Very low | 33.2 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | 81.1 | 107.6 | 31.6 | -173.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 583 | S | 34.7 | Very low | 32.6 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | -161 | 132.7 | 129.1 | -81.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 584 | Q | 28.8 | Very low | 32.3 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -97 | 145.8 | 167.3 | -64.6 | 175.3 | -11.9 | 0 | 0 | 109 | ||||
| 585 | T | 31.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -137.3 | 136.6 | 154.2 | -34.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 586 | K | 28.2 | Very low | 31.3 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -102.7 | 163.4 | 179.7 | -72.4 | -179.2 | 174.7 | 178.6 | 0 | 110.7 | ||||
| 587 | L | 26.6 | Very low | 30.8 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 61.9 | 133.1 | 150.2 | -72.1 | 155.8 | 0 | 0 | 0 | 117.7 | ||||
| 588 | V | 32.8 | Very low | 30.4 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | -161.8 | 138.8 | 104.6 | 141 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 589 | E | 27.1 | Very low | 29.9 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -74.6 | 152.5 | 171.9 | -65.6 | 142.7 | 123.7 | 0 | 0 | 110.4 | ||||
| 590 | N | 32.2 | Very low | 29.5 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -156.5 | 104.8 | 150.2 | -106.1 | -36.2 | 0 | 0 | 0 | 109.4 | ||||
| 591 | D | 25.7 | Very low | 29.1 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -55.3 | 144.7 | 148.6 | -71.4 | -62.2 | 0 | 0 | 0 | 109 | ||||
| 592 | N | 32.1 | Very low | 28.6 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -160.6 | 140.5 | 133.8 | -108.2 | -64.4 | 0 | 0 | 0 | 111.1 | ||||
| 593 | A | 25.2 | Very low | 28.5 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | trans | -75.3 | 151.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 594 | F | 30.2 | Very low | 28.1 | Very low | 207 Ų | 207 | 142.8 Ų | 142.8 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -125.9 | 79.1 | 151.1 | -111.9 | -85.5 | 0 | 0 | 0 | 109.7 | ||||
| 595 | Q | 23.9 | Very low | 28.2 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -83 | 108 | 158.2 | -77.8 | -172.2 | -11.3 | 0 | 0 | 108.8 | ||||
| 596 | S | 28.8 | Very low | 27.9 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | -172.6 | 144 | 163 | -77.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 597 | T | 28.2 | Very low | 27.9 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | cis | -159.6 | 152.8 | -19.7 | 17.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 598 | S | 25.5 | Very low | 28 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -32.6 | 157 | 169.3 | -44.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 599 | A | 25.2 | Very low | 27.6 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 77.8 | 99.4 | 147 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 600 | L | 29 | Very low | 27.6 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -129.9 | 111.5 | 130.2 | -69.5 | 172.2 | 0 | 0 | 0 | 105 | ||||
| 601 | Q | 27.5 | Very low | 27.4 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 46.6 | 98.5 | 88.3 | -66.6 | -178.4 | -55.1 | 0 | 0 | 110.2 | |||||
| 602 | V | 26.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | 53 | 84 | 51.4 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 603 | D | 29 | Very low | 27.4 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -127.4 | 138.7 | 157 | -101.6 | -43.2 | 0 | 0 | 0 | 108.4 | ||||
| 604 | S | 26 | Very low | 27.5 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -103.7 | 137.1 | -171.3 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 605 | V | 30.7 | Very low | 27.4 | Very low | 142 Ų | 142 | 142 Ų | 142 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -131.1 | 129.8 | 162.8 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 606 | E | 25 | Very low | 27.8 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 149.6 | -169.3 | -53.7 | 174.5 | 135.6 | 0 | 0 | 113.1 | ||
| 607 | P | 28.4 | Very low | 27.6 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 125.3 | 152.5 | 33.6 | -25.2 | 0 | 0 | 0 | 110.7 | ||
| 608 | F | 30 | Very low | 27.8 | Very low | 194 Ų | 194 | 146 Ų | 146 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137.2 | -177.3 | -72.2 | -100.2 | 0 | 0 | 0 | 114.1 | ||
| 609 | G | 24 | Very low | 27.7 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 175.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 610 | S | 26.8 | Very low | 27.9 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | cis | -146.3 | -179.7 | 6.7 | 48.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 611 | I | 28.7 | Very low | 27.8 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | -166.8 | 152.3 | 71.1 | -81 | 173.4 | 0 | 0 | 0 | 108 | |||||
| 612 | E | 24.8 | Very low | 28 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -84.6 | 151 | 175.8 | -54.3 | 169.8 | 120 | 0 | 0 | 112 | ||||
| 613 | E | 31.5 | Very low | 28.2 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -158.4 | 168.1 | 142.3 | -120.6 | 169.4 | -147.3 | 0 | 0 | 112.3 | ||||
| 614 | N | 28.5 | Very low | 28.4 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 65% | 0.647 | 80% | 0.796 | S | S | * | * | trans | -123.4 | 130.2 | -142.2 | -85.2 | -62.1 | 0 | 0 | 0 | 116.5 | ||||
| 615 | Y | 27.3 | Very low | 28.7 | Very low | 201 Ų | 201 | 144 Ų | 144 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | 56.2 | 178.5 | 143.6 | -76.3 | -76.8 | 0 | 0 | 0 | 119.2 | ||||
| 616 | P | 32.8 | Very low | 28.7 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -125 | 176.4 | -19.3 | 18.9 | 4.9 | 0 | 0 | 0 | 115.2 | ||||
| 617 | N | 24.6 | Very low | 29 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -37.8 | 149.9 | 167.3 | -50.9 | -30.8 | 0 | 0 | 0 | 116.9 | ||||
| 618 | Y | 31.1 | Very low | 29.1 | Very low | 241 Ų | 241 | 142.2 Ų | 142.2 | 95% | 0.945 | 79% | 0.789 | S | S | * | * | trans | -131.1 | 142.3 | 133.5 | -101.3 | -84.9 | 0 | 0 | 0 | 110.1 | ||||
| 619 | A | 23.3 | Very low | 29 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -139.8 | 142 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 620 | C | 29.8 | Very low | 29.3 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -155.8 | 158.3 | 154.6 | -121.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 621 | N | 26.3 | Very low | 29.3 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -93.4 | 169.1 | -179 | -54.6 | -39.8 | 0 | 0 | 0 | 110.8 | ||||
| 622 | D | 32.6 | Very low | 29.4 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | 175.6 | 114.8 | 113 | -79.5 | -11.7 | 0 | 0 | 0 | 106.9 | |||||
| 623 | E | 29.9 | Very low | 29.5 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | 58.6 | 103.4 | 89.8 | -69.1 | -152 | 170.9 | 0 | 0 | 114.9 | |||||
| 624 | S | 34 | Very low | 29.2 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 164.4 | 126.3 | 108.3 | 48.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 625 | G | 32.1 | Very low | 29.2 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 61.2 | 164.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 626 | S | 30.9 | Very low | 29.2 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | cis | -160.9 | 169.2 | -28.9 | 61.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 627 | D | 31.1 | Very low | 28.9 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | 63.3 | 107.3 | 159.2 | -47.3 | -47.3 | 0 | 0 | 0 | 118.5 | ||||
| 628 | I | 30.1 | Very low | 29.3 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | 84.5 | 122 | 67.1 | -69.7 | 166.6 | 0 | 0 | 0 | 113.4 | |||||
| 629 | G | 28.4 | Very low | 29.3 | Very low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | 104.4 | 146 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 630 | S | 30.3 | Very low | 29.9 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | cis | -156 | 164.5 | -2.1 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 631 | D | 26.4 | Very low | 30 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -29 | 119.7 | -179.4 | -62.1 | -46.4 | 0 | 0 | 0 | 118.4 | G633 | D631-G633 PolarHBondContact O-N 3.27Š| ||
| 632 | S | 31.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 115.1 Ų | 115.1 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | -78.1 | 69 | 162 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | S634 | S632-S634 PolarHBondContact O-N 3.32Š| ||
| 633 | G | 27.3 | Very low | 30.4 | Very low | 63 Ų | 63 | 113.4 Ų | 113.4 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | -60.6 | 131.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D631 S635 | D631-G633 PolarHBondContact O-N 3.27Å; G633-S635 PolarHBondContact O-N 3.1Å | ||
| 634 | S | 25.8 | Very low | 30.6 | Very low | 118 Ų | 118 | 108.8 Ų | 108.8 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | trans | -71.4 | 96.7 | -174.4 | 44.1 | 0 | 0 | 0 | 0 | 113.1 | S632 L636 | S632-S634 PolarHBondContact O-N 3.32Å; S634-L636 PolarHBondContact O-N 2.93Å; S634-L636 VanDerWaalsContact O-N 3.12Å | ||
| 635 | S | 27.7 | Very low | 30.5 | Very low | 101 Ų | 101 | 113.6 Ų | 113.6 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -72 | 103 | 168.7 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | G633 G637 | G633-S635 PolarHBondContact O-N 3.1Å; S635-G637 VanDerWaalsContact C-N 3.26Å; S635-G637 PolarHBondContact O-N 2.98Å | ||
| 636 | L | 27 | Very low | 30.4 | Very low | 166 Ų | 166 | 116.3 Ų | 116.3 | 87% | 0.869 | 69% | 0.685 | S | S | * | * | trans | -69.3 | 84.1 | 169 | -85.4 | 164.1 | 0 | 0 | 0 | 109.6 | S634 F638 | S634-L636 PolarHBondContact O-N 2.93Å; S634-L636 VanDerWaalsContact O-N 3.12Å; L636-F638 PolarHBondContact O-N 2.92Å | ||
| 637 | G | 27.4 | Very low | 30.3 | Very low | 49 Ų | 49 | 119.2 Ų | 119.2 | 51% | 0.505 | 69% | 0.693 | S | S | . | * | trans | -64.8 | 127.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S635 E639 | S635-G637 VanDerWaalsContact C-N 3.26Å; S635-G637 PolarHBondContact O-N 2.98Å; G637-E639 PolarHBondContact O-N 2.97Å; G637-E639 VanDerWaalsContact O-N 3.15Å | ||
| 638 | F | 31.4 | Very low | 30.1 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 65% | 0.654 | 72% | 0.719 | S | S | * | * | trans | -69.5 | 103.8 | 160.1 | -87.7 | -100.9 | 0 | 0 | 0 | 108.8 | L636 I640 | L636-F638 PolarHBondContact O-N 2.92Å; F638-I640 PolarHBondContact O-N 2.75Å; F638-I640 VanDerWaalsContact O-N 3.14Å | ||
| 639 | E | 32.9 | Very low | 30.1 | Very low | 156 Ų | 156 | 127 Ų | 127 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | trans | -67.8 | 103.9 | 157.8 | -70.7 | -168.9 | 156.9 | 0 | 0 | 108.7 | G637 N641 | G637-E639 PolarHBondContact O-N 2.97Å; G637-E639 VanDerWaalsContact O-N 3.15Å; E639-N641 WeakPolarHBondContact CB-ND2 3.46Å; E639-N641 PolarHBondContact O-N 3.17Å; E639-N641 PolarHBondContact OE2-ND2 3.5Å | ||
| 640 | I | 34.6 | Very low | 30.2 | Very low | 60 Ų | 60 | 130.2 Ų | 130.2 | 31% | 0.308 | 71% | 0.714 | S | S | . | * | trans | -74.1 | 81.5 | 163.9 | -54.5 | -179.8 | 0 | 0 | 0 | 106.5 | V104 F638 L642 | V104-I640 HydrophobicContact CG2-CD1 3.84Å; F638-I640 PolarHBondContact O-N 2.75Å; F638-I640 VanDerWaalsContact O-N 3.14Å; I640-L642 VanDerWaalsContact C-N 3.33Å; I640-L642 HydrophobicContact CG2-CD2 3.78Å; I640-L642 HydrophobicContact CG2-CG 4.24Å; I640-L642 PolarHBondContact O-N 2.99Å | ||
| 641 | N | 31.5 | Very low | 30.2 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | trans | -67.2 | 93 | 173.5 | -86.1 | -65 | 0 | 0 | 0 | 108.8 | E639 V643 | E639-N641 WeakPolarHBondContact CB-ND2 3.46Å; E639-N641 PolarHBondContact O-N 3.17Å; E639-N641 PolarHBondContact OE2-ND2 3.5Å; N641-V643 PolarHBondContact O-N 3.15Å | ||
| 642 | L | 36.3 | Very low | 30.5 | Very low | 48 Ų | 48 | 128.7 Ų | 128.7 | 25% | 0.251 | 70% | 0.697 | S | S | . | * | trans | -70.5 | 78.1 | 173.2 | -63.9 | 178.5 | 0 | 0 | 0 | 109.2 | Y107 L145 I640 | Y107-L642 HydrophobicContact CD1-CD2 3.8Å; Y107-L642 HydrophobicContact CD2-CD1 4.16Å; Y107-L642 HydrophobicContact CD2-CD2 4.06Å; Y107-L642 HydrophobicContact CE1-CD2 4Å; Y107-L642 HydrophobicContact CE2-CB 4.28Å; Y107-L642 HydrophobicContact CE2-CD2 4.27Å; Y107-L642 HydrophobicContact CG-CD2 3.81Å; L145-L642 HydrophobicContact CD1-CD1 4.27Å; L145-L642 HydrophobicContact CD2-CD1 4.44Å; I640-L642 VanDerWaalsContact C-N 3.33Å; I640-L642 HydrophobicContact CG2-CD2 3.78Å; I640-L642 HydrophobicContact CG2-CG 4.24Å; I640-L642 PolarHBondContact O-N 2.99Å | ||
| 643 | V | 32.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 66% | 0.655 | 69% | 0.685 | S | S | * | * | trans | -61.3 | 126.1 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | Y107 N641 | Y107-V643 PolarHBondContact OH-O 3.4Å; N641-V643 PolarHBondContact O-N 3.15Å | ||
| 644 | P | 33.2 | Very low | 30.6 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 53% | 0.526 | 69% | 0.687 | S | S | . | * | trans | -55.4 | 144.2 | 178.9 | -27.6 | 35.5 | 0 | 0 | 0 | 113 | N646 | P644-N646 VanDerWaalsContact C-N 3.34Å; P644-N646 PolarHBondContact O-N 3.17Å | ||
| 645 | R | 32.2 | Very low | 30.9 | Very low | 222 Ų | 222 | 134.3 Ų | 134.3 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | trans | -73.6 | 82.7 | 176.8 | -87.9 | 175.6 | 120.5 | -172.9 | -5.1 | 111.7 | ||||
| 646 | N | 30.5 | Very low | 31.2 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | trans | -105.1 | 133.8 | 159.3 | -70.6 | -10.3 | 0 | 0 | 0 | 110 | P644 | P644-N646 VanDerWaalsContact C-N 3.34Å; P644-N646 PolarHBondContact O-N 3.17Å | ||
| 647 | D | 27.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | trans | 57.2 | 69.8 | 162 | -53.4 | -27.6 | 0 | 0 | 0 | 119.1 | ||||
| 648 | R | 28.4 | Very low | 31.9 | Very low | 328 Ų | 328 | 142.2 Ų | 142.2 | 100% | 1.238 | 67% | 0.673 | S | S | * | * | trans | -148.5 | 0 | 139.2 | -85.1 | -156.1 | 179.2 | -176.3 | 0.2 | 111.9 |
Retrieved 648 of 648 residues in 1142 ms
(Link to these results)