| 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 | Very low | 42.9 | Very low | 234 Ų | 234 | 129.7 Ų | 129.7 | 100% | 1.153 | 63% | 0.633 | S | S | * | * | 0 | -5.9 | 0 | -61 | -173.5 | -170.7 | 0 | 0 | 115.1 | H3 | M1-H3 PolarHBondContact O-N 3.34Š| |||
| 2 | G | 34.8 | Very low | 44 | Very low | 48 Ų | 48 | 129.8 Ų | 129.8 | 50% | 0.495 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | -35 | -167.3 | 0 | 0 | 0 | 0 | 0 | 118 | H4 S5 | G2-H4 VanDerWaalsContact C-N 3.3Å; G2-H4 PolarHBondContact O-N 3.11Å; G2-H4 VanDerWaalsContact O-N 3.11Å; G2-S5 PolarHBondContact O-N 2.97Å; G2-S5 PolarHBondContact O-OG 3.27Å |
| 3 | H | 31.8 | Very low | 44.9 | Very low | 169 Ų | 169 | 121.6 Ų | 121.6 | 78% | 0.782 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.8 | -22.3 | -166.6 | -67.4 | -53.8 | 0 | 0 | 0 | 116.3 | M1 | M1-H3 PolarHBondContact O-N 3.34Å |
| 4 | H | 35 | Very low | 46 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -77.4 | -26.2 | 179.6 | -74.2 | -69.7 | 0 | 0 | 0 | 114 | G2 R8 | G2-H4 VanDerWaalsContact C-N 3.3Å; G2-H4 PolarHBondContact O-N 3.11Å; G2-H4 VanDerWaalsContact O-N 3.11Å; H4-R8 PolarHBondContact O-N 3.37Å |
| 5 | S | 42.1 | Very low | 47.2 | Very low | 65 Ų | 65 | 122.9 Ų | 122.9 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.6 | -42.2 | 177.3 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | G2 R8 R9 | G2-S5 PolarHBondContact O-N 2.97Å; G2-S5 PolarHBondContact O-OG 3.27Å; S5-R8 PolarHBondContact O-N 2.96Å; S5-R9 PolarHBondContact O-N 3.31Å |
| 6 | H | 44 | Very low | 48.1 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -40.5 | 179.1 | -73.7 | -94 | 0 | 0 | 0 | 112.7 | S10 | H6-S10 WeakPolarHBondContact O-CB 3.49Å; H6-S10 PolarHBondContact O-N 3.09Å |
| 7 | K | 46.9 | Very low | 48.9 | Very low | 168 Ų | 168 | 110.8 Ų | 110.8 | 73% | 0.73 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 175.3 | -80.2 | -168.6 | 174.2 | -176.1 | 0 | 112.3 | S11 | K7-S11 PolarHBondContact O-N 3.37Å; K7-S11 VanDerWaalsContact O-N 3.11Å |
| 8 | R | 47.1 | Very low | 49.7 | Very low | 196 Ų | 196 | 109.7 Ų | 109.7 | 74% | 0.74 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -50.4 | 175.1 | -82.4 | -171.6 | 172.3 | -177.9 | -1.2 | 112.3 | H4 S5 S10 S11 Q12 | H4-R8 PolarHBondContact O-N 3.37Å; S5-R8 PolarHBondContact O-N 2.96Å; R8-S10 VanDerWaalsContact C-N 3.34Å; R8-S10 PolarHBondContact O-N 3.5Å; R8-S11 PolarHBondContact O-N 3.07Å; R8-S11 VanDerWaalsContact O-N 3.07Å; R8-S11 PolarHBondContact O-OG 3.25Å; R8-Q12 PolarHBondContact O-N 3.39Å; R8-Q12 VanDerWaalsContact O-N 3.09Å |
| 9 | R | 49.1 | Very low | 50.4 | Low | 180 Ų | 180 | 112 Ų | 112 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.7 | -45.5 | 176.5 | -80.5 | -173.6 | 170.4 | -179.6 | -3.5 | 112.3 | S5 S11 Q12 L13 | S5-R9 PolarHBondContact O-N 3.31Å; R9-S11 VanDerWaalsContact C-N 3.32Å; R9-S11 PolarHBondContact O-N 3.11Å; R9-Q12 PolarHBondContact O-N 2.91Å; R9-L13 WeakPolarHBondContact O-CB 3.2Å; R9-L13 PolarHBondContact O-N 3.13Å |
| 10 | S | 50.5 | Low | 50.9 | Low | 36 Ų | 36 | 107.9 Ų | 107.9 | 25% | 0.252 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -54.6 | -45.3 | 174 | 172.9 | 0 | 0 | 0 | 0 | 112 | H6 R8 Q12 L13 K14 Y48 | H6-S10 WeakPolarHBondContact O-CB 3.49Å; H6-S10 PolarHBondContact O-N 3.09Å; R8-S10 VanDerWaalsContact C-N 3.34Å; R8-S10 PolarHBondContact O-N 3.5Å; S10-Q12 PolarHBondContact O-N 2.71Å; S10-L13 PolarHBondContact O-N 2.89Å; S10-K14 VanDerWaalsContact O-CB 3.28Å; S10-K14 WeakPolarHBondContact O-CB 2.79Å; S10-K14 PolarHBondContact O-N 2.87Å; S10-Y48 PolarHBondContact OG-OH 3.36Å |
| 11 | S | 57.4 | Low | 51.2 | Low | 63 Ų | 63 | 110.8 Ų | 110.8 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -35.8 | 179.2 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | K7 R8 R9 R15 | K7-S11 PolarHBondContact O-N 3.37Å; K7-S11 VanDerWaalsContact O-N 3.11Å; R8-S11 PolarHBondContact O-N 3.07Å; R8-S11 VanDerWaalsContact O-N 3.07Å; R8-S11 PolarHBondContact O-OG 3.25Å; R9-S11 VanDerWaalsContact C-N 3.32Å; R9-S11 PolarHBondContact O-N 3.11Å; S11-R15 WeakPolarHBondContact O-CG 3.38Å; S11-R15 PolarHBondContact O-N 2.91Å |
| 12 | Q | 56.9 | Low | 52.3 | Low | 131 Ų | 131 | 103 Ų | 103 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -72.3 | -42.7 | 174.4 | -78.8 | 176.7 | -78.2 | 0 | 0 | 111.9 | R8 R9 S10 R15 L16 | R8-Q12 PolarHBondContact O-N 3.39Å; R8-Q12 VanDerWaalsContact O-N 3.09Å; R9-Q12 PolarHBondContact O-N 2.91Å; S10-Q12 PolarHBondContact O-N 2.71Å; Q12-R15 CarbonylContact O-C 3.59Å; Q12-R15 WeakPolarHBondContact O-CA 3.41Å; Q12-R15 WeakPolarHBondContact O-CB 3.49Å; Q12-R15 PolarHBondContact O-N 2.92Å; Q12-R15 VanDerWaalsContact O-N 3.16Å; Q12-L16 PolarHBondContact O-N 3.35Å |
| 13 | L | 54.7 | Low | 53.6 | Low | 23 Ų | 23 | 101.2 Ų | 101.2 | 12% | 0.12 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 177.5 | -101 | 148.5 | 0 | 0 | 0 | 112.4 | R9 S10 R15 L16 L17 E40 I41 M44 | R9-L13 WeakPolarHBondContact O-CB 3.2Å; R9-L13 PolarHBondContact O-N 3.13Å; S10-L13 PolarHBondContact O-N 2.89Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.21Å; L13-L16 HydrophobicContact CD2-CD1 4.45Å; L13-L16 HydrophobicContact CG-CD1 4.38Å; L13-L16 WeakPolarHBondContact O-CB 3.49Å; L13-L16 PolarHBondContact O-N 3.44Å; L13-L17 WeakPolarHBondContact O-CG 3.11Å; L13-L17 PolarHBondContact O-N 3.33Å; L13-E40 HydrophobicContact CD1-CB 4.33Å; L13-E40 HydrophobicContact CD2-CB 4.04Å; L13-I41 HydrophobicContact CD2-CG1 4.24Å; L13-M44 HydrophobicContact CB-CG 4.44Å; L13-M44 HydrophobicContact CD1-CB 4.04Å; L13-M44 HydrophobicContact CD1-CG 4.32Å; L13-M44 HydrophobicContact CD2-CB 4.02Å; L13-M44 HydrophobicContact CD2-CE 4.4Å; L13-M44 HydrophobicContact CD2-CG 4.22Å |
| 14 | K | 60.5 | Low | 55.3 | Low | 74 Ų | 74 | 98.3 Ų | 98.3 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.1 | -30.9 | 172 | -156 | 172.1 | -174.6 | -175.4 | 0 | 111.5 | S10 L18 E64 I68 | S10-K14 VanDerWaalsContact O-CB 3.28Å; S10-K14 WeakPolarHBondContact O-CB 2.79Å; S10-K14 PolarHBondContact O-N 2.87Å; K14-L18 WeakPolarHBondContact O-CD1 3.19Å; K14-L18 VanDerWaalsContact O-CG 3.27Å; K14-L18 WeakPolarHBondContact O-CG 3.28Å; K14-L18 PolarHBondContact O-N 3Å; K14-E64 IonicContact NZ-OE1 2.68Å; K14-E64 PolarHBondContact NZ-OE1 3.45Å; K14-I68 HydrophobicContact CD-CD1 4.17Å |
| 15 | R | 63.9 | Low | 57 | Low | 188 Ų | 188 | 92.3 Ų | 92.3 | 71% | 0.709 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -69.5 | -42 | 167.6 | -74 | 179 | -178.1 | -175.2 | 0.6 | 112.6 | S11 Q12 L13 L18 H19 | S11-R15 WeakPolarHBondContact O-CG 3.38Å; S11-R15 PolarHBondContact O-N 2.91Å; Q12-R15 CarbonylContact O-C 3.59Å; Q12-R15 WeakPolarHBondContact O-CA 3.41Å; Q12-R15 WeakPolarHBondContact O-CB 3.49Å; Q12-R15 PolarHBondContact O-N 2.92Å; Q12-R15 VanDerWaalsContact O-N 3.16Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.21Å; R15-L18 PolarHBondContact O-N 2.86Å; R15-H19 WeakPolarHBondContact O-CB 3.43Å; R15-H19 PolarHBondContact O-N 3.22Å |
| 16 | L | 61.7 | Low | 58.2 | Low | 38 Ų | 38 | 91.3 Ų | 91.3 | 20% | 0.199 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 174 | -83 | 159.4 | 0 | 0 | 0 | 111.6 | Q12 L13 L18 H19 H20 E37 | Q12-L16 PolarHBondContact O-N 3.35Å; L13-L16 HydrophobicContact CD2-CD1 4.45Å; L13-L16 HydrophobicContact CG-CD1 4.38Å; L13-L16 WeakPolarHBondContact O-CB 3.49Å; L13-L16 PolarHBondContact O-N 3.44Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.89Å; L16-H19 CarbonylContact O-C 3.58Å; L16-H19 WeakPolarHBondContact O-CA 3.43Å; L16-H19 WeakPolarHBondContact O-CB 3.3Å; L16-H19 PolarHBondContact O-N 3.16Å; L16-H20 WeakPolarHBondContact CD2-NE2 3.44Å; L16-H20 WeakPolarHBondContact O-CB 3.37Å; L16-H20 PolarHBondContact O-CD2 3.48Å; L16-H20 PolarHBondContact O-N 3.41Å; L16-E37 HydrophobicContact CD2-CG 4.24Å |
| 17 | L | 62 | Low | 59.4 | Low | 2 Ų | 2 | 93.3 Ų | 93.3 | 1% | 0.01 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -56.3 | -46.2 | 174.7 | -71.1 | 174.2 | 0 | 0 | 0 | 112.1 | L13 H19 H20 R21 I41 M44 I68 E71 A72 V75 | L13-L17 WeakPolarHBondContact O-CG 3.11Å; L13-L17 PolarHBondContact O-N 3.33Å; L17-H19 VanDerWaalsContact C-N 3.31Å; L17-H19 PolarHBondContact O-N 3.2Å; L17-H20 CarbonylContact O-C 3.31Å; L17-H20 PolarHBondContact O-N 3.33Å; L17-R21 PolarHBondContact O-N 3.22Å; L17-I41 HydrophobicContact CD2-CD1 3.97Å; L17-M44 HydrophobicContact CD1-CE 3.82Å; L17-M44 HydrophobicContact CD1-SD 4.36Å; L17-M44 HydrophobicContact CD2-CE 3.99Å; L17-M44 HydrophobicContact CG-CE 4.19Å; L17-I68 HydrophobicContact CD1-CG2 4.06Å; L17-E71 HydrophobicContact CD1-CB 4.47Å; L17-A72 HydrophobicContact CD2-CB 4.31Å; L17-V75 HydrophobicContact CD2-CG2 4.22Å |
| 18 | L | 63.9 | Low | 60.7 | Low | 92 Ų | 92 | 90.9 Ų | 90.9 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -35.4 | 174.9 | -71.4 | 167.9 | 0 | 0 | 0 | 112.5 | K14 R15 L16 | K14-L18 WeakPolarHBondContact O-CD1 3.19Å; K14-L18 VanDerWaalsContact O-CG 3.27Å; K14-L18 WeakPolarHBondContact O-CG 3.28Å; K14-L18 PolarHBondContact O-N 3Å; R15-L18 PolarHBondContact O-N 2.86Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.89Å |
| 19 | H | 61.9 | Low | 61.6 | Low | 153 Ų | 153 | 81.5 Ų | 81.5 | 71% | 0.708 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -70.3 | -32.6 | 175.8 | -127.9 | -43 | 0 | 0 | 0 | 112.8 | R15 L16 L17 | R15-H19 WeakPolarHBondContact O-CB 3.43Å; R15-H19 PolarHBondContact O-N 3.22Å; L16-H19 CarbonylContact O-C 3.58Å; L16-H19 WeakPolarHBondContact O-CA 3.43Å; L16-H19 WeakPolarHBondContact O-CB 3.3Å; L16-H19 PolarHBondContact O-N 3.16Å; L17-H19 VanDerWaalsContact C-N 3.31Å; L17-H19 PolarHBondContact O-N 3.2Å |
| 20 | H | 60 | Low | 62.4 | Low | 30 Ų | 30 | 75.7 Ų | 75.7 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -95.7 | -0.3 | -178.7 | -61.9 | -55.2 | 0 | 0 | 0 | 114.3 | L16 L17 S22 I23 E37 V75 | L16-H20 WeakPolarHBondContact CD2-NE2 3.44Å; L16-H20 WeakPolarHBondContact O-CB 3.37Å; L16-H20 PolarHBondContact O-CD2 3.48Å; L16-H20 PolarHBondContact O-N 3.41Å; L17-H20 CarbonylContact O-C 3.31Å; L17-H20 PolarHBondContact O-N 3.33Å; H20-S22 PolarHBondContact O-N 3.29Å; H20-I23 HydrophobicContact CB-CD1 3.79Å; H20-I23 HydrophobicContact CB-CG1 4Å; H20-I23 PolarHBondContact O-N 2.91Å; H20-I23 VanDerWaalsContact O-N 3.11Å; H20-E37 IonicContact NE2-OE1 2.75Å; H20-V75 HydrophobicContact CB-CG1 4.03Å; H20-V75 HydrophobicContact CB-CG2 4.19Å |
| 21 | R | 57.3 | Low | 63.5 | Low | 168 Ų | 168 | 76.6 Ų | 76.6 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -22.9 | 169.5 | -90.9 | -175.8 | 168.5 | -165.1 | -1.3 | 113.1 | L17 E71 | L17-R21 PolarHBondContact O-N 3.22Å; R21-E71 IonicContact CZ-OE1 3.57Å; R21-E71 IonicContact NE-OE1 2.69Å; R21-E71 PolarHBondContact NE-OE1 3.08Å; R21-E71 IonicContact NH2-OE1 3.13Å; R21-E71 PolarHBondContact NH2-OE1 2.72Å |
| 22 | S | 56.8 | Low | 64.2 | Low | 71 Ų | 71 | 73.8 Ų | 73.8 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 35.8 | -179.8 | 58 | 0 | 0 | 0 | 0 | 114.2 | H20 T24 | H20-S22 PolarHBondContact O-N 3.29Å; S22-T24 PolarHBondContact O-N 3.01Å; S22-T24 PolarHBondContact O-OG1 2.68Å |
| 23 | I | 63.2 | Low | 64.5 | Low | 11 Ų | 11 | 67.6 Ų | 67.6 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | trans | -67 | 99.1 | 160 | -63.1 | 179.5 | 0 | 0 | 0 | 108.1 | H20 K28 A29 F32 V75 C79 L82 | H20-I23 HydrophobicContact CB-CD1 3.79Å; H20-I23 HydrophobicContact CB-CG1 4Å; H20-I23 PolarHBondContact O-N 2.91Å; H20-I23 VanDerWaalsContact O-N 3.11Å; I23-K28 HydrophobicContact CG2-CB 4.03Å; I23-A29 HydrophobicContact CG2-CB 4.11Å; I23-F32 HydrophobicContact CD1-CB 4.22Å; I23-F32 HydrophobicContact CD1-CG 4.34Å; I23-V75 HydrophobicContact CD1-CG1 4.26Å; I23-C79 WeakPolarHBondContact CD1-SG 3.44Å; I23-L82 HydrophobicContact CG2-CD1 3.88Å; I23-L82 VanDerWaalsContact O-CD1 3.29Å; I23-L82 WeakPolarHBondContact O-CD1 3.34Å | ||
| 24 | T | 65.8 | Low | 65.3 | Low | 107 Ų | 107 | 71.5 Ų | 71.5 | 66% | 0.656 | 36% | 0.357 | S | S | * | . | trans | -118.8 | -4 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | S22 | S22-T24 PolarHBondContact O-N 3.01Å; S22-T24 PolarHBondContact O-OG1 2.68Å | ||
| 25 | S | 70.4 | Confident | 65.9 | Low | 31 Ų | 31 | 69.5 Ų | 69.5 | 22% | 0.217 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -123.5 | 150.1 | 177.4 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | E27 K28 A29 | S25-E27 PolarHBondContact O-N 3.47Å; S25-K28 PolarHBondContact O-N 3.3Å; S25-K28 WeakPolarHBondContact OG-CG 3.48Å; S25-K28 PolarHBondContact OG-N 3.42Å; S25-A29 PolarHBondContact O-N 3.36Å |
| 26 | A | 67.6 | Low | 65.9 | Low | 45 Ų | 45 | 63.9 Ų | 63.9 | 37% | 0.372 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -27.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L30 L82 N83 | A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 3.23Å; A26-L82 WeakPolarHBondContact CB-O 3.31Å; A26-N83 PolarHBondContact O-ND2 2.94Å |
| 27 | E | 70.9 | Confident | 66.2 | Low | 152 Ų | 152 | 64.9 Ų | 64.9 | 71% | 0.71 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71 | -45.9 | 176 | -58 | 164.5 | 140.7 | 0 | 0 | 111.5 | S25 A29 L30 A31 | S25-E27 PolarHBondContact O-N 3.47Å; E27-A29 VanDerWaalsContact C-N 3.31Å; E27-A29 PolarHBondContact O-N 3.19Å; E27-L30 PolarHBondContact O-N 3.49Å; E27-L30 VanDerWaalsContact O-N 3.17Å; E27-A31 WeakPolarHBondContact O-CB 3.42Å; E27-A31 PolarHBondContact O-N 2.76Å |
| 28 | K | 72.7 | Confident | 66.7 | Low | 117 Ų | 117 | 67 Ų | 67 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 175.9 | -72.2 | 177.2 | 179.2 | 178.3 | 0 | 111.3 | I23 S25 A31 F32 | I23-K28 HydrophobicContact CG2-CB 4.03Å; S25-K28 PolarHBondContact O-N 3.3Å; S25-K28 WeakPolarHBondContact OG-CG 3.48Å; S25-K28 PolarHBondContact OG-N 3.42Å; K28-A31 PolarHBondContact O-N 2.89Å; K28-F32 WeakPolarHBondContact O-CB 3.29Å; K28-F32 PolarHBondContact O-N 3.4Å |
| 29 | A | 65.9 | Low | 67.4 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | I23 S25 E27 A33 C79 L82 N83 | I23-A29 HydrophobicContact CG2-CB 4.11Å; S25-A29 PolarHBondContact O-N 3.36Å; E27-A29 VanDerWaalsContact C-N 3.31Å; E27-A29 PolarHBondContact O-N 3.19Å; A29-A33 WeakPolarHBondContact O-CB 3.47Å; A29-A33 PolarHBondContact O-N 3.48Å; A29-C79 HydrophobicContact CB-CB 4.3Å; A29-L82 HydrophobicContact CB-CB 3.78Å; A29-L82 HydrophobicContact CB-CD1 4.47Å; A29-N83 HydrophobicContact CB-CB 4.06Å |
| 30 | L | 67.5 | Low | 68 | Low | 57 Ų | 57 | 63.8 Ų | 63.8 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.4 | -171.9 | 60.4 | 0 | 0 | 0 | 112.5 | A26 E27 A33 Q34 | A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 3.23Å; E27-L30 PolarHBondContact O-N 3.49Å; E27-L30 VanDerWaalsContact O-N 3.17Å; L30-A33 CarbonylContact O-C 3.58Å; L30-A33 WeakPolarHBondContact O-CA 3.29Å; L30-A33 WeakPolarHBondContact O-CB 3.48Å; L30-A33 PolarHBondContact O-N 3.22Å; L30-A33 VanDerWaalsContact O-N 3.13Å; L30-Q34 VanDerWaalsContact O-CG 3.3Å; L30-Q34 WeakPolarHBondContact O-CG 3.45Å; L30-Q34 PolarHBondContact O-N 2.57Å |
| 31 | A | 71.9 | Confident | 68.7 | Low | 55 Ų | 55 | 62.5 Ų | 62.5 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | E27 K28 A33 Q34 S35 | E27-A31 WeakPolarHBondContact O-CB 3.42Å; E27-A31 PolarHBondContact O-N 2.76Å; K28-A31 PolarHBondContact O-N 2.89Å; A31-A33 VanDerWaalsContact C-N 3.34Å; A31-A33 PolarHBondContact O-N 3.25Å; A31-Q34 PolarHBondContact O-N 2.85Å; A31-Q34 VanDerWaalsContact O-N 3.09Å; A31-S35 WeakPolarHBondContact O-CB 3.3Å; A31-S35 PolarHBondContact O-N 3.26Å |
| 32 | F | 72.2 | Confident | 69.8 | Low | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 171.9 | 175.8 | -93.7 | 0 | 0 | 0 | 112.5 | I23 K28 Q34 S35 E37 R38 I41 V75 L76 C79 | I23-F32 HydrophobicContact CD1-CB 4.22Å; I23-F32 HydrophobicContact CD1-CG 4.34Å; K28-F32 WeakPolarHBondContact O-CB 3.29Å; K28-F32 PolarHBondContact O-N 3.4Å; F32-Q34 PolarHBondContact O-N 3.47Å; F32-S35 PolarHBondContact O-N 3.3Å; F32-S35 PolarHBondContact O-OG 3.15Å; F32-E37 HydrophobicContact CD2-CB 3.88Å; F32-E37 HydrophobicContact CE2-CB 3.74Å; F32-R38 HydrophobicContact CD1-CB 4.46Å; F32-R38 HydrophobicContact CE1-CB 3.93Å; F32-R38 HydrophobicContact CZ-CB 4.03Å; F32-I41 HydrophobicContact CE2-CD1 3.64Å; F32-I41 HydrophobicContact CE2-CG1 4.19Å; F32-I41 HydrophobicContact CZ-CB 4.3Å; F32-I41 HydrophobicContact CZ-CD1 3.69Å; F32-I41 HydrophobicContact CZ-CG1 4.17Å; F32-V75 HydrophobicContact CZ-CG1 4.44Å; F32-L76 HydrophobicContact CE1-CD2 4.03Å; F32-L76 HydrophobicContact CZ-CD2 4.42Å; F32-C79 HydrophobicContact CD1-CB 4.05Å; F32-C79 WeakPolarHBondContact CD1-SG 3.38Å; F32-C79 HydrophobicContact CE1-CB 4.47Å |
| 33 | A | 63.6 | Low | 70.9 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.6 | -14.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | A29 L30 A31 R38 T86 R89 | A29-A33 WeakPolarHBondContact O-CB 3.47Å; A29-A33 PolarHBondContact O-N 3.48Å; L30-A33 CarbonylContact O-C 3.58Å; L30-A33 WeakPolarHBondContact O-CA 3.29Å; L30-A33 WeakPolarHBondContact O-CB 3.48Å; L30-A33 PolarHBondContact O-N 3.22Å; L30-A33 VanDerWaalsContact O-N 3.13Å; A31-A33 VanDerWaalsContact C-N 3.34Å; A31-A33 PolarHBondContact O-N 3.25Å; A33-R38 VanDerWaalsContact O-CD 3.29Å; A33-R38 WeakPolarHBondContact O-CD 3.47Å; A33-R38 PolarHBondContact O-NH1 3.18Å; A33-T86 HydrophobicContact CB-CG2 3.94Å; A33-R89 HydrophobicContact CB-CB 4.44Å; A33-R89 HydrophobicContact CB-CG 4.4Å |
| 34 | Q | 72.2 | Confident | 71.7 | Confident | 105 Ų | 105 | 54.4 Ų | 54.4 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -99.3 | -34.3 | 175.3 | -69.9 | 180 | 12.2 | 0 | 0 | 112.7 | L30 A31 F32 R38 | L30-Q34 VanDerWaalsContact O-CG 3.3Å; L30-Q34 WeakPolarHBondContact O-CG 3.45Å; L30-Q34 PolarHBondContact O-N 2.57Å; A31-Q34 PolarHBondContact O-N 2.85Å; A31-Q34 VanDerWaalsContact O-N 3.09Å; F32-Q34 PolarHBondContact O-N 3.47Å; Q34-R38 VanDerWaalsContact C-NH1 3.3Å; Q34-R38 PolarHBondContact O-NH1 2.85Å |
| 35 | S | 73.6 | Confident | 72.4 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -68 | 169.6 | -178.4 | 78.6 | 0 | 0 | 0 | 0 | 113.6 | A31 F32 E37 R38 | A31-S35 WeakPolarHBondContact O-CB 3.3Å; A31-S35 PolarHBondContact O-N 3.26Å; F32-S35 PolarHBondContact O-N 3.3Å; F32-S35 PolarHBondContact O-OG 3.15Å; S35-E37 VanDerWaalsContact CB-OE2 3.29Å; S35-E37 WeakPolarHBondContact CB-OE2 3.14Å; S35-E37 PolarHBondContact O-N 2.9Å; S35-E37 WeakPolarHBondContact OG-CB 3.41Å; S35-E37 WeakPolarHBondContact OG-CG 3.36Å; S35-E37 PolarHBondContact OG-N 3.03Å; S35-E37 PolarHBondContact OG-OE2 3.35Å; S35-R38 PolarHBondContact O-NH1 3.44Å |
| 36 | A | 63.1 | Low | 72.9 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R38 K39 E40 | A36-R38 PolarHBondContact O-N 2.89Å; A36-R38 VanDerWaalsContact O-N 3.13Å; A36-K39 WeakPolarHBondContact O-CB 3.38Å; A36-K39 PolarHBondContact O-N 2.86Å; A36-E40 PolarHBondContact O-N 3.05Å |
| 37 | E | 67.5 | Low | 73.6 | Confident | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.9 | -32.2 | -173.4 | -55.9 | 155.4 | 147.6 | 0 | 0 | 111.7 | L16 H20 F32 S35 K39 E40 I41 | L16-E37 HydrophobicContact CD2-CG 4.24Å; H20-E37 IonicContact NE2-OE1 2.75Å; F32-E37 HydrophobicContact CD2-CB 3.88Å; F32-E37 HydrophobicContact CE2-CB 3.74Å; S35-E37 VanDerWaalsContact CB-OE2 3.29Å; S35-E37 WeakPolarHBondContact CB-OE2 3.14Å; S35-E37 PolarHBondContact O-N 2.9Å; S35-E37 WeakPolarHBondContact OG-CB 3.41Å; S35-E37 WeakPolarHBondContact OG-CG 3.36Å; S35-E37 PolarHBondContact OG-N 3.03Å; S35-E37 PolarHBondContact OG-OE2 3.35Å; E37-K39 VanDerWaalsContact C-N 3.27Å; E37-K39 PolarHBondContact O-N 3.26Å; E37-E40 PolarHBondContact O-N 3.39Å; E37-E40 VanDerWaalsContact O-N 3.15Å; E37-I41 PolarHBondContact O-N 3.44Å |
| 38 | R | 72.1 | Confident | 74 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.2 | -38 | 174.1 | 77.6 | -174.3 | -171.6 | -91.1 | 6.8 | 113.5 | F32 A33 Q34 S35 A36 I42 | F32-R38 HydrophobicContact CD1-CB 4.46Å; F32-R38 HydrophobicContact CE1-CB 3.93Å; F32-R38 HydrophobicContact CZ-CB 4.03Å; A33-R38 VanDerWaalsContact O-CD 3.29Å; A33-R38 WeakPolarHBondContact O-CD 3.47Å; A33-R38 PolarHBondContact O-NH1 3.18Å; Q34-R38 VanDerWaalsContact C-NH1 3.3Å; Q34-R38 PolarHBondContact O-NH1 2.85Å; S35-R38 PolarHBondContact O-NH1 3.44Å; A36-R38 PolarHBondContact O-N 2.89Å; A36-R38 VanDerWaalsContact O-N 3.13Å; R38-I42 WeakPolarHBondContact O-CD1 3.4Å; R38-I42 VanDerWaalsContact O-CG1 3.29Å; R38-I42 WeakPolarHBondContact O-CG1 3.4Å; R38-I42 PolarHBondContact O-N 3.45Å |
| 39 | K | 78.8 | Confident | 74.5 | Confident | 95 Ų | 95 | 38.1 Ų | 38.1 | 41% | 0.413 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -73 | -42.6 | 177.3 | 179.1 | -179.2 | 167.4 | -179.5 | 0 | 109.9 | A36 E37 I41 I42 E43 Y93 | A36-K39 WeakPolarHBondContact O-CB 3.38Å; A36-K39 PolarHBondContact O-N 2.86Å; E37-K39 VanDerWaalsContact C-N 3.27Å; E37-K39 PolarHBondContact O-N 3.26Å; K39-I41 VanDerWaalsContact C-N 3.35Å; K39-I41 PolarHBondContact O-N 3.2Å; K39-I42 PolarHBondContact O-N 3.42Å; K39-E43 WeakPolarHBondContact CE-OE1 3.46Å; K39-E43 HydrophobicContact CG-CG 4.39Å; K39-E43 IonicContact NZ-OE1 3.58Å; K39-E43 WeakPolarHBondContact O-CG 3.48Å; K39-E43 PolarHBondContact O-N 3.11Å; K39-Y93 HydrophobicContact CG-CE1 4.24Å |
| 40 | E | 75.4 | Confident | 75.3 | Confident | 84 Ų | 84 | 41.6 Ų | 41.6 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 179.4 | -58 | -166.2 | 151.4 | 0 | 0 | 112.4 | L13 A36 E37 M44 | L13-E40 HydrophobicContact CD1-CB 4.33Å; L13-E40 HydrophobicContact CD2-CB 4.04Å; A36-E40 PolarHBondContact O-N 3.05Å; E37-E40 PolarHBondContact O-N 3.39Å; E37-E40 VanDerWaalsContact O-N 3.15Å; E40-M44 WeakPolarHBondContact O-CB 3.27Å; E40-M44 PolarHBondContact O-N 3.11Å |
| 41 | I | 74.7 | Confident | 75.9 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 174.2 | -67.7 | -164.5 | 0 | 0 | 0 | 111.6 | L13 L17 F32 E37 K39 M44 M45 A72 V75 L76 | L13-I41 HydrophobicContact CD2-CG1 4.24Å; L17-I41 HydrophobicContact CD2-CD1 3.97Å; F32-I41 HydrophobicContact CE2-CD1 3.64Å; F32-I41 HydrophobicContact CE2-CG1 4.19Å; F32-I41 HydrophobicContact CZ-CB 4.3Å; F32-I41 HydrophobicContact CZ-CD1 3.69Å; F32-I41 HydrophobicContact CZ-CG1 4.17Å; E37-I41 PolarHBondContact O-N 3.44Å; K39-I41 VanDerWaalsContact C-N 3.35Å; K39-I41 PolarHBondContact O-N 3.2Å; I41-M44 HydrophobicContact CB-CE 4.46Å; I41-M44 HydrophobicContact CG1-CE 4.48Å; I41-M44 HydrophobicContact CG2-CE 4.12Å; I41-M44 PolarHBondContact O-N 2.93Å; I41-M45 HydrophobicContact CG2-SD 4.44Å; I41-M45 WeakPolarHBondContact O-CG 3.49Å; I41-M45 PolarHBondContact O-N 2.61Å; I41-A72 HydrophobicContact CG2-CB 4.17Å; I41-V75 HydrophobicContact CD1-CB 4.45Å; I41-V75 HydrophobicContact CD1-CG1 3.87Å; I41-L76 HydrophobicContact CG2-CD1 4.15Å; I41-L76 HydrophobicContact CG2-CG 4.16Å |
| 42 | I | 79.2 | Confident | 76.3 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.2 | -43 | 176.9 | -65.2 | 165.4 | 0 | 0 | 0 | 111.3 | R38 K39 M44 M45 G46 L76 L90 Y93 I97 I100 | R38-I42 WeakPolarHBondContact O-CD1 3.4Å; R38-I42 VanDerWaalsContact O-CG1 3.29Å; R38-I42 WeakPolarHBondContact O-CG1 3.4Å; R38-I42 PolarHBondContact O-N 3.45Å; K39-I42 PolarHBondContact O-N 3.42Å; I42-M44 VanDerWaalsContact C-N 3.34Å; I42-M45 PolarHBondContact O-N 2.82Å; I42-G46 PolarHBondContact O-N 2.94Å; I42-G46 VanDerWaalsContact O-N 3.11Å; I42-L76 HydrophobicContact CG1-CD1 4.47Å; I42-L90 HydrophobicContact CD1-CD2 3.84Å; I42-Y93 HydrophobicContact CD1-CD1 4.11Å; I42-Y93 HydrophobicContact CD1-CD2 3.99Å; I42-Y93 HydrophobicContact CD1-CG 3.72Å; I42-Y93 HydrophobicContact CG2-CD1 4.39Å; I42-I97 HydrophobicContact CD1-CD1 4.13Å; I42-I97 HydrophobicContact CD1-CG1 4.3Å; I42-I97 HydrophobicContact CG1-CG1 4.45Å; I42-I97 HydrophobicContact CG2-CG1 4.41Å; I42-I100 HydrophobicContact CG2-CD1 4.18Å |
| 43 | E | 81.4 | Confident | 76.7 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 34% | 0.336 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | 175.3 | -72.6 | -176.2 | 169.4 | 0 | 0 | 111.7 | K39 G46 L47 | K39-E43 WeakPolarHBondContact CE-OE1 3.46Å; K39-E43 HydrophobicContact CG-CG 4.39Å; K39-E43 IonicContact NZ-OE1 3.58Å; K39-E43 WeakPolarHBondContact O-CG 3.48Å; K39-E43 PolarHBondContact O-N 3.11Å; E43-G46 PolarHBondContact O-N 3.38Å; E43-L47 WeakPolarHBondContact O-CG 3.3Å; E43-L47 PolarHBondContact O-N 2.86Å |
| 44 | M | 78.7 | Confident | 77.5 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 175.1 | 179.7 | -85.1 | -56.6 | 0 | 0 | 112.2 | L13 L17 E40 I41 I42 G46 L47 Y48 I68 A72 | L13-M44 HydrophobicContact CB-CG 4.44Å; L13-M44 HydrophobicContact CD1-CB 4.04Å; L13-M44 HydrophobicContact CD1-CG 4.32Å; L13-M44 HydrophobicContact CD2-CB 4.02Å; L13-M44 HydrophobicContact CD2-CE 4.4Å; L13-M44 HydrophobicContact CD2-CG 4.22Å; L17-M44 HydrophobicContact CD1-CE 3.82Å; L17-M44 HydrophobicContact CD1-SD 4.36Å; L17-M44 HydrophobicContact CD2-CE 3.99Å; L17-M44 HydrophobicContact CG-CE 4.19Å; E40-M44 WeakPolarHBondContact O-CB 3.27Å; E40-M44 PolarHBondContact O-N 3.11Å; I41-M44 HydrophobicContact CB-CE 4.46Å; I41-M44 HydrophobicContact CG1-CE 4.48Å; I41-M44 HydrophobicContact CG2-CE 4.12Å; I41-M44 PolarHBondContact O-N 2.93Å; I42-M44 VanDerWaalsContact C-N 3.34Å; M44-G46 VanDerWaalsContact C-N 3.33Å; M44-G46 PolarHBondContact O-N 2.92Å; M44-L47 PolarHBondContact O-N 3.31Å; M44-Y48 HydrophobicContact CG-CD2 3.86Å; M44-Y48 HydrophobicContact CG-CE2 4.02Å; M44-Y48 WeakPolarHBondContact O-CD2 3.29Å; M44-Y48 PolarHBondContact O-N 2.86Å; M44-Y48 HydrophobicContact SD-CD2 3.78Å; M44-Y48 HydrophobicContact SD-CE2 4.18Å; M44-I68 HydrophobicContact SD-CG2 3.95Å; M44-A72 HydrophobicContact CE-CB 3.52Å; M44-A72 HydrophobicContact SD-CB 4.35Å |
| 45 | M | 81 | Confident | 77.6 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 171.1 | -76.3 | 175.4 | 55.8 | 0 | 0 | 111.5 | I41 I42 Y48 V49 A72 V73 L76 I100 F118 | I41-M45 HydrophobicContact CG2-SD 4.44Å; I41-M45 WeakPolarHBondContact O-CG 3.49Å; I41-M45 PolarHBondContact O-N 2.61Å; I42-M45 PolarHBondContact O-N 2.82Å; M45-Y48 PolarHBondContact O-N 3.03Å; M45-V49 WeakPolarHBondContact O-CG2 3.32Å; M45-V49 PolarHBondContact O-N 3.41Å; M45-A72 HydrophobicContact CG-CB 3.49Å; M45-A72 VanDerWaalsContact CG-CB 3.49Å; M45-A72 HydrophobicContact SD-CB 4.04Å; M45-V73 HydrophobicContact CE-CG2 3.67Å; M45-V73 HydrophobicContact SD-CG2 4.23Å; M45-L76 HydrophobicContact CE-CD1 4.48Å; M45-L76 HydrophobicContact SD-CD1 3.45Å; M45-L76 WeakPolarHBondContact SD-CD1 3.48Å; M45-I100 HydrophobicContact CB-CG2 4.02Å; M45-I100 HydrophobicContact CE-CG2 4.23Å; M45-F118 HydrophobicContact CE-CE1 3.97Å |
| 46 | G | 81.3 | Confident | 76.9 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I42 E43 M44 Y48 V49 E50 | I42-G46 PolarHBondContact O-N 2.94Å; I42-G46 VanDerWaalsContact O-N 3.11Å; E43-G46 PolarHBondContact O-N 3.38Å; M44-G46 VanDerWaalsContact C-N 3.33Å; M44-G46 PolarHBondContact O-N 2.92Å; G46-Y48 VanDerWaalsContact C-N 3.29Å; G46-Y48 PolarHBondContact O-N 3.41Å; G46-V49 PolarHBondContact O-N 2.92Å; G46-E50 PolarHBondContact O-N 2.84Å |
| 47 | L | 81.2 | Confident | 76.8 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 41% | 0.414 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.6 | -29.6 | 178.3 | -73.2 | 168.4 | 0 | 0 | 0 | 113.9 | E43 M44 K51 | E43-L47 WeakPolarHBondContact O-CG 3.3Å; E43-L47 PolarHBondContact O-N 2.86Å; M44-L47 PolarHBondContact O-N 3.31Å; L47-K51 PolarHBondContact O-N 3.18Å |
| 48 | Y | 81.2 | Confident | 76.3 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 8% | 0.078 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -85.8 | -27.4 | 175.4 | -86.2 | -95.1 | 0 | 0 | 0 | 112.6 | S10 M44 M45 G46 K51 Y52 V65 I68 | S10-Y48 PolarHBondContact OG-OH 3.36Å; M44-Y48 HydrophobicContact CG-CD2 3.86Å; M44-Y48 HydrophobicContact CG-CE2 4.02Å; M44-Y48 WeakPolarHBondContact O-CD2 3.29Å; M44-Y48 PolarHBondContact O-N 2.86Å; M44-Y48 HydrophobicContact SD-CD2 3.78Å; M44-Y48 HydrophobicContact SD-CE2 4.18Å; M45-Y48 PolarHBondContact O-N 3.03Å; G46-Y48 VanDerWaalsContact C-N 3.29Å; G46-Y48 PolarHBondContact O-N 3.41Å; Y48-K51 PolarHBondContact O-N 2.71Å; Y48-Y52 WeakPolarHBondContact O-CB 3.44Å; Y48-Y52 PolarHBondContact O-N 2.9Å; Y48-V65 HydrophobicContact CD1-CB 4.39Å; Y48-V65 HydrophobicContact CD1-CG1 4.22Å; Y48-V65 HydrophobicContact CD1-CG2 4.07Å; Y48-V65 HydrophobicContact CE1-CG2 4.4Å; Y48-V65 WeakPolarHBondContact O-CG1 3.48Å; Y48-I68 HydrophobicContact CD1-CB 4.21Å; Y48-I68 HydrophobicContact CD1-CD1 4.41Å; Y48-I68 HydrophobicContact CD1-CG2 3.95Å; Y48-I68 HydrophobicContact CD2-CG2 4.21Å; Y48-I68 HydrophobicContact CE1-CB 4.11Å; Y48-I68 HydrophobicContact CE1-CD1 3.53Å; Y48-I68 HydrophobicContact CE1-CG1 4.42Å; Y48-I68 HydrophobicContact CE1-CG2 3.85Å; Y48-I68 HydrophobicContact CE2-CG2 4.11Å; Y48-I68 HydrophobicContact CG-CG2 4.14Å |
| 49 | V | 82.2 | Confident | 75.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 168.2 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | M45 G46 K51 Y52 E53 L69 I100 R103 A104 | M45-V49 WeakPolarHBondContact O-CG2 3.32Å; M45-V49 PolarHBondContact O-N 3.41Å; G46-V49 PolarHBondContact O-N 2.92Å; V49-K51 VanDerWaalsContact C-N 3.26Å; V49-K51 PolarHBondContact O-N 3.22Å; V49-Y52 WeakPolarHBondContact O-CA 3.34Å; V49-Y52 VanDerWaalsContact O-CB 3.32Å; V49-Y52 WeakPolarHBondContact O-CB 3.25Å; V49-Y52 PolarHBondContact O-N 3.12Å; V49-E53 WeakPolarHBondContact O-CG 3.32Å; V49-E53 PolarHBondContact O-N 3Å; V49-L69 HydrophobicContact CG2-CD1 4.12Å; V49-L69 HydrophobicContact CG2-CD2 3.8Å; V49-I100 HydrophobicContact CB-CG2 4.35Å; V49-I100 HydrophobicContact CG2-CG2 3.76Å; V49-R103 HydrophobicContact CG1-CB 3.66Å; V49-A104 HydrophobicContact CG1-CB 4.26Å; V49-A104 HydrophobicContact CG2-CB 4Å |
| 50 | E | 83 | Confident | 75.6 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.9 | -39.1 | 172 | -84.2 | 164.5 | -172.5 | 0 | 0 | 112.5 | G46 Q54 R103 | G46-E50 PolarHBondContact O-N 2.84Å; E50-Q54 WeakPolarHBondContact O-CG 3.35Å; E50-Q54 PolarHBondContact O-N 3.09Å; E50-R103 IonicContact OE1-CZ 3.7Å; E50-R103 IonicContact OE1-NH1 3.2Å; E50-R103 PolarHBondContact OE1-NH1 3.13Å; E50-R103 IonicContact OE1-NH2 3.48Å |
| 51 | K | 80.7 | Confident | 75.5 | Confident | 99 Ų | 99 | 62.7 Ų | 62.7 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.3 | -36.3 | 170.7 | -70.9 | 179 | 175.3 | -173 | 0 | 112.9 | L47 Y48 V49 E53 Q54 I55 V65 | L47-K51 PolarHBondContact O-N 3.18Å; Y48-K51 PolarHBondContact O-N 2.71Å; V49-K51 VanDerWaalsContact C-N 3.26Å; V49-K51 PolarHBondContact O-N 3.22Å; K51-E53 VanDerWaalsContact C-N 3.32Å; K51-E53 PolarHBondContact O-N 3.41Å; K51-Q54 PolarHBondContact O-N 2.66Å; K51-I55 WeakPolarHBondContact O-CD1 3.4Å; K51-I55 VanDerWaalsContact O-CG1 3.3Å; K51-I55 WeakPolarHBondContact O-CG1 3.42Å; K51-I55 PolarHBondContact O-N 3.48Å; K51-V65 HydrophobicContact CB-CG2 4.33Å |
| 52 | Y | 80.4 | Confident | 75.6 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -35.6 | -178.6 | -167 | -117.8 | 0 | 0 | 0 | 112.8 | Y48 V49 V62 V65 E66 L69 R107 V110 P111 | Y48-Y52 WeakPolarHBondContact O-CB 3.44Å; Y48-Y52 PolarHBondContact O-N 2.9Å; V49-Y52 WeakPolarHBondContact O-CA 3.34Å; V49-Y52 VanDerWaalsContact O-CB 3.32Å; V49-Y52 WeakPolarHBondContact O-CB 3.25Å; V49-Y52 PolarHBondContact O-N 3.12Å; Y52-V62 HydrophobicContact CD2-CG1 4.47Å; Y52-V62 HydrophobicContact CE2-CG1 3.88Å; Y52-V65 HydrophobicContact CD2-CG1 3.8Å; Y52-V65 HydrophobicContact CG-CG1 4.27Å; Y52-E66 HydrophobicContact CD2-CG 4.08Å; Y52-E66 HydrophobicContact CE2-CG 3.3Å; Y52-E66 WeakPolarHBondContact CE2-OE1 3.44Å; Y52-E66 PolarHBondContact OH-OE1 3.13Å; Y52-L69 HydrophobicContact CG-CD1 4.22Å; Y52-R107 HydrophobicContact CE1-CB 4.3Å; Y52-R107 HydrophobicContact CE1-CG 4.5Å; Y52-R107 WeakPolarHBondContact O-CD 3.43Å; Y52-R107 PolarHBondContact O-NE 3.19Å; Y52-R107 VanDerWaalsContact O-NE 3.09Å; Y52-R107 PolarHBondContact OH-NH1 3.48Å; Y52-V110 HydrophobicContact CE1-CG2 4.22Å; Y52-P111 VanDerWaalsContact OH-CD 3.25Å; Y52-P111 WeakPolarHBondContact OH-CD 3.47Å |
| 53 | E | 79.6 | Confident | 75.6 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 170.4 | -67.9 | 170.2 | 158.3 | 0 | 0 | 112.1 | V49 K51 R103 | V49-E53 WeakPolarHBondContact O-CG 3.32Å; V49-E53 PolarHBondContact O-N 3Å; K51-E53 VanDerWaalsContact C-N 3.32Å; K51-E53 PolarHBondContact O-N 3.41Å; E53-R103 VanDerWaalsContact OE1-CB 3.3Å; E53-R103 WeakPolarHBondContact OE1-CB 3.42Å; E53-R103 WeakPolarHBondContact OE1-CG 3.23Å; E53-R103 IonicContact OE1-CZ 3.73Å; E53-R103 IonicContact OE1-NE 3.47Å; E53-R103 PolarHBondContact OE1-NE 2.9Å; E53-R103 IonicContact OE1-NH2 3.58Å; E53-R103 PolarHBondContact OE1-NH2 3.37Å; E53-R103 IonicContact OE2-CZ 3.94Å; E53-R103 IonicContact OE2-NE 3.72Å; E53-R103 IonicContact OE2-NH2 3.54Å; E53-R103 PolarHBondContact OE2-NH2 2.89Å |
| 54 | Q | 79.8 | Confident | 75.6 | Confident | 156 Ų | 156 | 70 Ų | 70 | 73% | 0.729 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.6 | -23.3 | -171 | -74.3 | 171.5 | 10.9 | 0 | 0 | 115.1 | E50 K51 | E50-Q54 WeakPolarHBondContact O-CG 3.35Å; E50-Q54 PolarHBondContact O-N 3.09Å; K51-Q54 PolarHBondContact O-N 2.66Å |
| 55 | I | 74.3 | Confident | 75.8 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 16% | 0.159 | 36% | 0.359 | C | S | . | . | trans | -87.2 | 132 | -179.9 | -56 | 158 | 0 | 0 | 0 | 109.8 | K51 Q61 V62 V65 R107 | K51-I55 WeakPolarHBondContact O-CD1 3.4Å; K51-I55 VanDerWaalsContact O-CG1 3.3Å; K51-I55 WeakPolarHBondContact O-CG1 3.42Å; K51-I55 PolarHBondContact O-N 3.48Å; I55-Q61 HydrophobicContact CD1-CB 4.32Å; I55-V62 HydrophobicContact CB-CG2 4.03Å; I55-V62 HydrophobicContact CG2-CG2 3.36Å; I55-V65 HydrophobicContact CD1-CG2 4.09Å; I55-R107 PolarHBondContact O-NH2 3.14Å | ||
| 56 | S | 60 | Low | 75.9 | Confident | 105 Ų | 105 | 71.7 Ų | 71.7 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | trans | -111.5 | 132.8 | 175.7 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 57 | G | 60 | Low | 75.9 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 55% | 0.546 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 98.2 | -167.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D59 | G57-D59 PolarHBondContact O-N 3.36Š|
| 58 | K | 57 | Low | 75.9 | Confident | 203 Ų | 203 | 70.4 Ų | 70.4 | 88% | 0.883 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -93.3 | 23.9 | -169.9 | -72 | -174.6 | 175.5 | 178.1 | 0 | 114.3 | ||
| 59 | D | 63.8 | Low | 76 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | trans | -62.4 | 146 | -177.9 | -71.6 | -14 | 0 | 0 | 0 | 112.8 | G57 Q61 V62 | G57-D59 PolarHBondContact O-N 3.36Å; D59-Q61 HydrophobicContact CB-CB 4.47Å; D59-Q61 PolarHBondContact O-N 3.26Å; D59-Q61 VanDerWaalsContact O-N 3.12Å; D59-V62 HydrophobicContact CB-CG2 4.48Å; D59-V62 WeakPolarHBondContact O-CB 3.3Å; D59-V62 PolarHBondContact O-N 3.09Å | ||
| 60 | D | 72.3 | Confident | 76 | Confident | 112 Ų | 112 | 69.4 Ų | 69.4 | 60% | 0.599 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.1 | -21.3 | 174.4 | -72.7 | -47.5 | 0 | 0 | 0 | 113 | V62 K63 E64 | D60-V62 VanDerWaalsContact C-N 3.27Å; D60-V62 PolarHBondContact O-N 2.94Å; D60-K63 PolarHBondContact O-N 3.46Å; D60-K63 WeakPolarHBondContact OD1-CD 3.36Å; D60-K63 WeakPolarHBondContact OD1-CE 3.39Å; D60-K63 IonicContact OD1-NZ 3.1Å; D60-K63 PolarHBondContact OD1-NZ 3.23Å; D60-E64 PolarHBondContact O-N 3.13Å |
| 61 | Q | 73.3 | Confident | 75.9 | Confident | 129 Ų | 129 | 67.7 Ų | 67.7 | 60% | 0.603 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.2 | -34.5 | 170.2 | -63.2 | -168.4 | 39.2 | 0 | 0 | 112.4 | I55 D59 E64 V65 | I55-Q61 HydrophobicContact CD1-CB 4.32Å; D59-Q61 HydrophobicContact CB-CB 4.47Å; D59-Q61 PolarHBondContact O-N 3.26Å; D59-Q61 VanDerWaalsContact O-N 3.12Å; Q61-E64 PolarHBondContact O-N 2.92Å; Q61-V65 WeakPolarHBondContact O-CG2 3.49Å; Q61-V65 PolarHBondContact O-N 3.5Å |
| 62 | V | 77.9 | Confident | 76 | Confident | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 174.9 | -177 | 0 | 0 | 0 | 0 | 109.5 | Y52 I55 D59 D60 E64 V65 E66 | Y52-V62 HydrophobicContact CD2-CG1 4.47Å; Y52-V62 HydrophobicContact CE2-CG1 3.88Å; I55-V62 HydrophobicContact CB-CG2 4.03Å; I55-V62 HydrophobicContact CG2-CG2 3.36Å; D59-V62 HydrophobicContact CB-CG2 4.48Å; D59-V62 WeakPolarHBondContact O-CB 3.3Å; D59-V62 PolarHBondContact O-N 3.09Å; D60-V62 VanDerWaalsContact C-N 3.27Å; D60-V62 PolarHBondContact O-N 2.94Å; V62-E64 VanDerWaalsContact C-N 3.31Å; V62-E64 PolarHBondContact O-N 3.06Å; V62-V65 PolarHBondContact O-N 3.09Å; V62-E66 HydrophobicContact CG1-CG 4.21Å; V62-E66 WeakPolarHBondContact CG1-OE1 3.32Å; V62-E66 WeakPolarHBondContact O-CB 3.29Å; V62-E66 VanDerWaalsContact O-CG 3.25Å; V62-E66 WeakPolarHBondContact O-CG 3.48Å; V62-E66 PolarHBondContact O-N 2.89Å |
| 63 | K | 79 | Confident | 76.2 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 53% | 0.53 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 177.6 | -57.3 | 176.3 | -165.5 | 157.8 | 0 | 112.1 | D60 A67 | D60-K63 PolarHBondContact O-N 3.46Å; D60-K63 WeakPolarHBondContact OD1-CD 3.36Å; D60-K63 WeakPolarHBondContact OD1-CE 3.39Å; D60-K63 IonicContact OD1-NZ 3.1Å; D60-K63 PolarHBondContact OD1-NZ 3.23Å; K63-A67 VanDerWaalsContact O-CB 3.31Å; K63-A67 WeakPolarHBondContact O-CB 3.5Å; K63-A67 PolarHBondContact O-N 3.04Å |
| 64 | E | 81 | Confident | 76.4 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 175.7 | -158.2 | -159.5 | 161.5 | 0 | 0 | 111.7 | K14 D60 Q61 V62 A67 I68 | K14-E64 IonicContact NZ-OE1 2.68Å; K14-E64 PolarHBondContact NZ-OE1 3.45Å; D60-E64 PolarHBondContact O-N 3.13Å; Q61-E64 PolarHBondContact O-N 2.92Å; V62-E64 VanDerWaalsContact C-N 3.31Å; V62-E64 PolarHBondContact O-N 3.06Å; E64-A67 PolarHBondContact O-N 2.82Å; E64-I68 HydrophobicContact CG-CD1 4.03Å; E64-I68 WeakPolarHBondContact O-CD1 3.28Å; E64-I68 VanDerWaalsContact O-CG1 3.29Å; E64-I68 WeakPolarHBondContact O-CG1 3.45Å; E64-I68 PolarHBondContact O-N 2.99Å |
| 65 | V | 82.1 | Confident | 76.4 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.2 | 168 | 0 | 0 | 0 | 0 | 111.2 | Y48 K51 Y52 I55 Q61 V62 I68 L69 | Y48-V65 HydrophobicContact CD1-CB 4.39Å; Y48-V65 HydrophobicContact CD1-CG1 4.22Å; Y48-V65 HydrophobicContact CD1-CG2 4.07Å; Y48-V65 HydrophobicContact CE1-CG2 4.4Å; Y48-V65 WeakPolarHBondContact O-CG1 3.48Å; K51-V65 HydrophobicContact CB-CG2 4.33Å; Y52-V65 HydrophobicContact CD2-CG1 3.8Å; Y52-V65 HydrophobicContact CG-CG1 4.27Å; I55-V65 HydrophobicContact CD1-CG2 4.09Å; Q61-V65 WeakPolarHBondContact O-CG2 3.49Å; Q61-V65 PolarHBondContact O-N 3.5Å; V62-V65 PolarHBondContact O-N 3.09Å; V65-I68 PolarHBondContact O-N 3.45Å; V65-L69 HydrophobicContact CG1-CD1 3.88Å; V65-L69 HydrophobicContact CG1-CG 4.47Å; V65-L69 WeakPolarHBondContact O-CB 3.49Å; V65-L69 WeakPolarHBondContact O-CG 3.49Å; V65-L69 PolarHBondContact O-N 3Å |
| 66 | E | 83.7 | Confident | 76.8 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 177.4 | -71.3 | 173.5 | 161.4 | 0 | 0 | 112.5 | Y52 V62 G70 P111 L114 | Y52-E66 HydrophobicContact CD2-CG 4.08Å; Y52-E66 HydrophobicContact CE2-CG 3.3Å; Y52-E66 WeakPolarHBondContact CE2-OE1 3.44Å; Y52-E66 PolarHBondContact OH-OE1 3.13Å; V62-E66 HydrophobicContact CG1-CG 4.21Å; V62-E66 WeakPolarHBondContact CG1-OE1 3.32Å; V62-E66 WeakPolarHBondContact O-CB 3.29Å; V62-E66 VanDerWaalsContact O-CG 3.25Å; V62-E66 WeakPolarHBondContact O-CG 3.48Å; V62-E66 PolarHBondContact O-N 2.89Å; E66-G70 WeakPolarHBondContact O-CA 3.45Å; E66-G70 PolarHBondContact O-N 3.29Å; E66-P111 HydrophobicContact CG-CG 4.34Å; E66-P111 WeakPolarHBondContact OE1-CD 3.22Å; E66-P111 WeakPolarHBondContact OE1-CG 3.45Å; E66-P111 WeakPolarHBondContact OE2-CG 3.37Å; E66-L114 HydrophobicContact CB-CD2 4.33Å; E66-L114 HydrophobicContact CG-CD2 4.02Å |
| 67 | A | 81.5 | Confident | 78 | Confident | 55 Ų | 55 | 47.2 Ų | 47.2 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K63 E64 G70 E71 | K63-A67 VanDerWaalsContact O-CB 3.31Å; K63-A67 WeakPolarHBondContact O-CB 3.5Å; K63-A67 PolarHBondContact O-N 3.04Å; E64-A67 PolarHBondContact O-N 2.82Å; A67-G70 PolarHBondContact O-N 2.92Å; A67-E71 WeakPolarHBondContact O-CG 3.48Å; A67-E71 PolarHBondContact O-N 2.96Å |
| 68 | I | 80.7 | Confident | 79 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | -179.3 | -67.6 | 165.3 | 0 | 0 | 0 | 111.3 | K14 L17 M44 Y48 E64 V65 G70 E71 A72 | K14-I68 HydrophobicContact CD-CD1 4.17Å; L17-I68 HydrophobicContact CD1-CG2 4.06Å; M44-I68 HydrophobicContact SD-CG2 3.95Å; Y48-I68 HydrophobicContact CD1-CB 4.21Å; Y48-I68 HydrophobicContact CD1-CD1 4.41Å; Y48-I68 HydrophobicContact CD1-CG2 3.95Å; Y48-I68 HydrophobicContact CD2-CG2 4.21Å; Y48-I68 HydrophobicContact CE1-CB 4.11Å; Y48-I68 HydrophobicContact CE1-CD1 3.53Å; Y48-I68 HydrophobicContact CE1-CG1 4.42Å; Y48-I68 HydrophobicContact CE1-CG2 3.85Å; Y48-I68 HydrophobicContact CE2-CG2 4.11Å; Y48-I68 HydrophobicContact CG-CG2 4.14Å; E64-I68 HydrophobicContact CG-CD1 4.03Å; E64-I68 WeakPolarHBondContact O-CD1 3.28Å; E64-I68 VanDerWaalsContact O-CG1 3.29Å; E64-I68 WeakPolarHBondContact O-CG1 3.45Å; E64-I68 PolarHBondContact O-N 2.99Å; V65-I68 PolarHBondContact O-N 3.45Å; I68-G70 VanDerWaalsContact C-N 3.32Å; I68-G70 PolarHBondContact O-N 2.89Å; I68-E71 PolarHBondContact O-N 2.95Å; I68-A72 PolarHBondContact O-N 3.27Å |
| 69 | L | 83.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 172.2 | -75.7 | 170.7 | 0 | 0 | 0 | 111.1 | V49 Y52 V65 E71 A72 V73 L114 | V49-L69 HydrophobicContact CG2-CD1 4.12Å; V49-L69 HydrophobicContact CG2-CD2 3.8Å; Y52-L69 HydrophobicContact CG-CD1 4.22Å; V65-L69 HydrophobicContact CG1-CD1 3.88Å; V65-L69 HydrophobicContact CG1-CG 4.47Å; V65-L69 WeakPolarHBondContact O-CB 3.49Å; V65-L69 WeakPolarHBondContact O-CG 3.49Å; V65-L69 PolarHBondContact O-N 3Å; L69-E71 VanDerWaalsContact C-N 3.26Å; L69-E71 PolarHBondContact O-N 2.97Å; L69-A72 WeakPolarHBondContact O-CB 3.13Å; L69-A72 PolarHBondContact O-N 2.87Å; L69-V73 WeakPolarHBondContact O-CB 3.23Å; L69-V73 VanDerWaalsContact O-CG2 3.23Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 3.07Å; L69-L114 HydrophobicContact CB-CD1 4.03Å |
| 70 | G | 83 | Confident | 81.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -33.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | E66 A67 I68 S74 R117 | E66-G70 WeakPolarHBondContact O-CA 3.45Å; E66-G70 PolarHBondContact O-N 3.29Å; A67-G70 PolarHBondContact O-N 2.92Å; I68-G70 VanDerWaalsContact C-N 3.32Å; I68-G70 PolarHBondContact O-N 2.89Å; G70-S74 WeakPolarHBondContact O-CB 3.22Å; G70-S74 PolarHBondContact O-N 3.17Å; G70-S74 PolarHBondContact O-OG 3Å; G70-R117 WeakPolarHBondContact O-CD 3.39Å; G70-R117 PolarHBondContact O-NH1 3.26Å |
| 71 | E | 80.7 | Confident | 81.6 | Confident | 35 Ų | 35 | 36.1 Ų | 36.1 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.8 | -46.1 | 173.5 | -74.2 | -167.9 | 154.4 | 0 | 0 | 111.8 | L17 R21 A67 I68 L69 V73 S74 V75 | L17-E71 HydrophobicContact CD1-CB 4.47Å; R21-E71 IonicContact CZ-OE1 3.57Å; R21-E71 IonicContact NE-OE1 2.69Å; R21-E71 PolarHBondContact NE-OE1 3.08Å; R21-E71 IonicContact NH2-OE1 3.13Å; R21-E71 PolarHBondContact NH2-OE1 2.72Å; A67-E71 WeakPolarHBondContact O-CG 3.48Å; A67-E71 PolarHBondContact O-N 2.96Å; I68-E71 PolarHBondContact O-N 2.95Å; L69-E71 VanDerWaalsContact C-N 3.26Å; L69-E71 PolarHBondContact O-N 2.97Å; E71-V73 VanDerWaalsContact C-N 3.32Å; E71-V73 PolarHBondContact O-N 3.38Å; E71-S74 WeakPolarHBondContact O-CA 3.45Å; E71-S74 WeakPolarHBondContact O-CB 3.45Å; E71-S74 PolarHBondContact O-N 3.25Å; E71-V75 WeakPolarHBondContact O-CG2 3.48Å; E71-V75 PolarHBondContact O-N 3.33Å |
| 72 | A | 81.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.3 | -48.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L17 I41 M44 M45 I68 L69 S74 V75 L76 | L17-A72 HydrophobicContact CD2-CB 4.31Å; I41-A72 HydrophobicContact CG2-CB 4.17Å; M44-A72 HydrophobicContact CE-CB 3.52Å; M44-A72 HydrophobicContact SD-CB 4.35Å; M45-A72 HydrophobicContact CG-CB 3.49Å; M45-A72 VanDerWaalsContact CG-CB 3.49Å; M45-A72 HydrophobicContact SD-CB 4.04Å; I68-A72 PolarHBondContact O-N 3.27Å; L69-A72 WeakPolarHBondContact O-CB 3.13Å; L69-A72 PolarHBondContact O-N 2.87Å; A72-S74 VanDerWaalsContact C-N 3.33Å; A72-S74 PolarHBondContact O-N 3.44Å; A72-V75 PolarHBondContact O-N 3.49Å; A72-L76 PolarHBondContact O-N 3.23Å; A72-L76 VanDerWaalsContact O-N 3.13Å |
| 73 | V | 86.3 | Confident | 82 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.4 | -34.2 | 178.4 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | M45 L69 E71 S77 R117 F118 L121 | M45-V73 HydrophobicContact CE-CG2 3.67Å; M45-V73 HydrophobicContact SD-CG2 4.23Å; L69-V73 WeakPolarHBondContact O-CB 3.23Å; L69-V73 VanDerWaalsContact O-CG2 3.23Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 3.07Å; E71-V73 VanDerWaalsContact C-N 3.32Å; E71-V73 PolarHBondContact O-N 3.38Å; V73-S77 VanDerWaalsContact O-CB 3.28Å; V73-S77 WeakPolarHBondContact O-CB 3.4Å; V73-S77 PolarHBondContact O-N 2.99Å; V73-S77 PolarHBondContact O-OG 2.78Å; V73-R117 HydrophobicContact CB-CB 4.47Å; V73-R117 VanDerWaalsContact CG1-C 3.42Å; V73-R117 HydrophobicContact CG1-CB 3.89Å; V73-R117 VanDerWaalsContact CG1-O 3.23Å; V73-R117 WeakPolarHBondContact CG1-O 3.38Å; V73-F118 HydrophobicContact CB-CD1 4.45Å; V73-F118 HydrophobicContact CG1-CD1 4.02Å; V73-F118 HydrophobicContact CG1-CG 4.47Å; V73-F118 HydrophobicContact CG2-CD1 3.51Å; V73-F118 HydrophobicContact CG2-CE1 3.29Å; V73-F118 HydrophobicContact CG2-CG 4.37Å; V73-F118 HydrophobicContact CG2-CZ 3.98Å; V73-L121 HydrophobicContact CG1-CB 4.02Å; V73-L121 HydrophobicContact CG1-CD2 4.08Å |
| 74 | S | 83.3 | Confident | 81.9 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 20% | 0.203 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.8 | -42.3 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | G70 E71 A72 S77 N78 | G70-S74 WeakPolarHBondContact O-CB 3.22Å; G70-S74 PolarHBondContact O-N 3.17Å; G70-S74 PolarHBondContact O-OG 3Å; E71-S74 WeakPolarHBondContact O-CA 3.45Å; E71-S74 WeakPolarHBondContact O-CB 3.45Å; E71-S74 PolarHBondContact O-N 3.25Å; A72-S74 VanDerWaalsContact C-N 3.33Å; A72-S74 PolarHBondContact O-N 3.44Å; S74-S77 PolarHBondContact O-N 3.04Å; S74-N78 WeakPolarHBondContact O-CB 3.23Å; S74-N78 VanDerWaalsContact O-CG 3.31Å; S74-N78 PolarHBondContact O-N 2.81Å |
| 75 | V | 80.2 | Confident | 81.7 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | L17 H20 I23 F32 I41 E71 A72 S77 N78 C79 | L17-V75 HydrophobicContact CD2-CG2 4.22Å; H20-V75 HydrophobicContact CB-CG1 4.03Å; H20-V75 HydrophobicContact CB-CG2 4.19Å; I23-V75 HydrophobicContact CD1-CG1 4.26Å; F32-V75 HydrophobicContact CZ-CG1 4.44Å; I41-V75 HydrophobicContact CD1-CB 4.45Å; I41-V75 HydrophobicContact CD1-CG1 3.87Å; E71-V75 WeakPolarHBondContact O-CG2 3.48Å; E71-V75 PolarHBondContact O-N 3.33Å; A72-V75 PolarHBondContact O-N 3.49Å; V75-S77 PolarHBondContact O-N 2.66Å; V75-N78 PolarHBondContact O-N 3.07Å; V75-C79 PolarHBondContact O-N 3.38Å; V75-C79 PolarHBondContact O-SG 3.29Å |
| 76 | L | 82.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 175.4 | -75.6 | 171 | 0 | 0 | 0 | 112.5 | F32 I41 I42 M45 A72 N78 C79 V80 L90 L121 | F32-L76 HydrophobicContact CE1-CD2 4.03Å; F32-L76 HydrophobicContact CZ-CD2 4.42Å; I41-L76 HydrophobicContact CG2-CD1 4.15Å; I41-L76 HydrophobicContact CG2-CG 4.16Å; I42-L76 HydrophobicContact CG1-CD1 4.47Å; M45-L76 HydrophobicContact CE-CD1 4.48Å; M45-L76 HydrophobicContact SD-CD1 3.45Å; M45-L76 WeakPolarHBondContact SD-CD1 3.48Å; A72-L76 PolarHBondContact O-N 3.23Å; A72-L76 VanDerWaalsContact O-N 3.13Å; L76-N78 VanDerWaalsContact C-N 3.31Å; L76-N78 PolarHBondContact O-N 3.45Å; L76-C79 PolarHBondContact O-N 2.99Å; L76-V80 WeakPolarHBondContact O-CG2 3.37Å; L76-V80 PolarHBondContact O-N 3.35Å; L76-L90 HydrophobicContact CD2-CD1 4.43Å; L76-L90 HydrophobicContact CD2-CD2 4.28Å; L76-L121 HydrophobicContact CB-CD1 3.98Å; L76-L121 HydrophobicContact CB-CD2 4.18Å; L76-L121 HydrophobicContact CD1-CD2 4.32Å |
| 77 | S | 85.6 | Confident | 81 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 177.9 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | V73 S74 V75 W81 L121 L124 | V73-S77 VanDerWaalsContact O-CB 3.28Å; V73-S77 WeakPolarHBondContact O-CB 3.4Å; V73-S77 PolarHBondContact O-N 2.99Å; V73-S77 PolarHBondContact O-OG 2.78Å; S74-S77 PolarHBondContact O-N 3.04Å; V75-S77 PolarHBondContact O-N 2.66Å; S77-W81 VanDerWaalsContact O-CB 3.23Å; S77-W81 WeakPolarHBondContact O-CB 3.4Å; S77-W81 PolarHBondContact O-N 2.84Å; S77-L121 WeakPolarHBondContact OG-CB 3.47Å; S77-L124 WeakPolarHBondContact O-CD1 3.21Å |
| 78 | N | 81 | Confident | 80.8 | Confident | 46 Ų | 46 | 34.1 Ų | 34.1 | 25% | 0.246 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.1 | -38.9 | 178.4 | -70 | -9 | 0 | 0 | 0 | 111.6 | S74 V75 L76 V80 W81 L82 R120 | S74-N78 WeakPolarHBondContact O-CB 3.23Å; S74-N78 VanDerWaalsContact O-CG 3.31Å; S74-N78 PolarHBondContact O-N 2.81Å; V75-N78 PolarHBondContact O-N 3.07Å; L76-N78 VanDerWaalsContact C-N 3.31Å; L76-N78 PolarHBondContact O-N 3.45Å; N78-V80 VanDerWaalsContact C-N 3.33Å; N78-V80 PolarHBondContact O-N 3.24Å; N78-W81 PolarHBondContact O-N 3.48Å; N78-L82 VanDerWaalsContact O-CB 3.27Å; N78-L82 WeakPolarHBondContact O-CB 3.26Å; N78-L82 VanDerWaalsContact O-CG 3.29Å; N78-L82 WeakPolarHBondContact O-CG 3.49Å; N78-L82 PolarHBondContact O-N 3.34Å; N78-R120 PolarHBondContact OD1-NH2 3.43Å; N78-R120 VanDerWaalsContact OD1-NH2 3.14Å |
| 79 | C | 81.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | I23 A29 F32 V75 L76 N83 T86 | I23-C79 WeakPolarHBondContact CD1-SG 3.44Å; A29-C79 HydrophobicContact CB-CB 4.3Å; F32-C79 HydrophobicContact CD1-CB 4.05Å; F32-C79 WeakPolarHBondContact CD1-SG 3.38Å; F32-C79 HydrophobicContact CE1-CB 4.47Å; V75-C79 PolarHBondContact O-N 3.38Å; V75-C79 PolarHBondContact O-SG 3.29Å; L76-C79 PolarHBondContact O-N 2.99Å; C79-N83 PolarHBondContact O-N 3.31Å; C79-T86 HydrophobicContact CB-CG2 4.12Å; C79-T86 WeakPolarHBondContact O-CB 3.45Å; C79-T86 PolarHBondContact O-OG1 2.95Å |
| 80 | V | 83.8 | Confident | 80.5 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.1 | -45.3 | 172.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L76 N78 L82 N83 T86 I87 L90 L124 L125 | L76-V80 WeakPolarHBondContact O-CG2 3.37Å; L76-V80 PolarHBondContact O-N 3.35Å; N78-V80 VanDerWaalsContact C-N 3.33Å; N78-V80 PolarHBondContact O-N 3.24Å; V80-L82 PolarHBondContact O-N 2.95Å; V80-N83 CarbonylContact O-C 3.6Å; V80-N83 PolarHBondContact O-N 2.91Å; V80-T86 HydrophobicContact CG2-CG2 3.98Å; V80-I87 HydrophobicContact CG1-CD1 3.86Å; V80-I87 HydrophobicContact CG1-CG1 3.53Å; V80-I87 HydrophobicContact CG2-CG1 4.39Å; V80-L90 HydrophobicContact CG2-CD1 3.68Å; V80-L124 HydrophobicContact CG1-CB 3.74Å; V80-L125 HydrophobicContact CG2-CD2 3.94Å |
| 81 | W | 82.2 | Confident | 80.4 | Confident | 171 Ų | 171 | 41.4 Ų | 41.4 | 65% | 0.648 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65.4 | -36.6 | -179 | -178.8 | 72.7 | 0 | 0 | 0 | 113 | S77 N78 L124 | S77-W81 VanDerWaalsContact O-CB 3.23Å; S77-W81 WeakPolarHBondContact O-CB 3.4Å; S77-W81 PolarHBondContact O-N 2.84Å; N78-W81 PolarHBondContact O-N 3.48Å; W81-L124 HydrophobicContact CB-CD1 4.17Å; W81-L124 HydrophobicContact CB-CD2 4.3Å |
| 82 | L | 80.1 | Confident | 80.4 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 20% | 0.199 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -79.4 | -22.9 | 178.2 | -72 | 168.1 | 0 | 0 | 0 | 113.9 | I23 A26 A29 N78 V80 | I23-L82 HydrophobicContact CG2-CD1 3.88Å; I23-L82 VanDerWaalsContact O-CD1 3.29Å; I23-L82 WeakPolarHBondContact O-CD1 3.34Å; A26-L82 WeakPolarHBondContact CB-O 3.31Å; A29-L82 HydrophobicContact CB-CB 3.78Å; A29-L82 HydrophobicContact CB-CD1 4.47Å; N78-L82 VanDerWaalsContact O-CB 3.27Å; N78-L82 WeakPolarHBondContact O-CB 3.26Å; N78-L82 VanDerWaalsContact O-CG 3.29Å; N78-L82 WeakPolarHBondContact O-CG 3.49Å; N78-L82 PolarHBondContact O-N 3.34Å; V80-L82 PolarHBondContact O-N 2.95Å |
| 83 | N | 78.5 | Confident | 80.5 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | trans | -151.2 | 114.9 | 178.9 | -164.3 | -40.2 | 0 | 0 | 0 | 112.4 | A26 A29 C79 V80 H85 T86 | A26-N83 PolarHBondContact O-ND2 2.94Å; A29-N83 HydrophobicContact CB-CB 4.06Å; C79-N83 PolarHBondContact O-N 3.31Å; V80-N83 CarbonylContact O-C 3.6Å; V80-N83 PolarHBondContact O-N 2.91Å; N83-H85 VanDerWaalsContact C-N 3.31Å; N83-H85 PolarHBondContact O-N 3.34Å; N83-H85 WeakPolarHBondContact OD1-CB 3.11Å; N83-H85 PolarHBondContact OD1-N 2.77Å; N83-T86 WeakPolarHBondContact O-CB 3.49Å; N83-T86 PolarHBondContact O-N 2.88Å; N83-T86 PolarHBondContact O-OG1 3.22Å | ||
| 84 | R | 76.6 | Confident | 80.5 | Confident | 140 Ų | 140 | 48.8 Ų | 48.8 | 53% | 0.528 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.9 | -176.9 | -159.7 | 173.1 | 176.3 | 163.7 | 2.9 | 113.5 | T86 I87 Q127 E128 | R84-T86 PolarHBondContact O-N 3.47Å; R84-I87 HydrophobicContact CG-CD1 3.95Å; R84-I87 WeakPolarHBondContact O-CB 3.43Å; R84-I87 WeakPolarHBondContact O-CG1 3.47Å; R84-I87 PolarHBondContact O-N 3.04Å; R84-Q127 PolarHBondContact NH2-O 3.17Å; R84-E128 IonicContact CZ-OE1 2.67Å; R84-E128 IonicContact NE-OE1 3.86Å; R84-E128 PolarHBondContact NE-OE1 3.47Å; R84-E128 IonicContact NH2-OE1 2.77Å; R84-E128 PolarHBondContact NH2-OE1 2.88Å; R84-E128 VanDerWaalsContact NH2-OE1 3.17Å |
| 85 | H | 77.7 | Confident | 80.6 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66 | -17.5 | 172.9 | -68 | -69.4 | 0 | 0 | 0 | 113 | N83 I87 Q88 R89 | N83-H85 VanDerWaalsContact C-N 3.31Å; N83-H85 PolarHBondContact O-N 3.34Å; N83-H85 WeakPolarHBondContact OD1-CB 3.11Å; N83-H85 PolarHBondContact OD1-N 2.77Å; H85-I87 PolarHBondContact O-N 2.69Å; H85-Q88 PolarHBondContact ND1-OE1 3.04Å; H85-Q88 PolarHBondContact O-N 3.14Å; H85-R89 PolarHBondContact O-N 2.94Å; H85-R89 VanDerWaalsContact O-N 3.14Å |
| 86 | T | 75.7 | Confident | 81 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -37.4 | 169.2 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | A33 C79 V80 N83 R84 Q88 R89 L90 | A33-T86 HydrophobicContact CB-CG2 3.94Å; C79-T86 HydrophobicContact CB-CG2 4.12Å; C79-T86 WeakPolarHBondContact O-CB 3.45Å; C79-T86 PolarHBondContact O-OG1 2.95Å; V80-T86 HydrophobicContact CG2-CG2 3.98Å; N83-T86 WeakPolarHBondContact O-CB 3.49Å; N83-T86 PolarHBondContact O-N 2.88Å; N83-T86 PolarHBondContact O-OG1 3.22Å; R84-T86 PolarHBondContact O-N 3.47Å; T86-Q88 VanDerWaalsContact C-N 3.35Å; T86-Q88 PolarHBondContact O-N 3.33Å; T86-R89 PolarHBondContact O-N 3.21Å; T86-L90 HydrophobicContact CG2-CD1 3.91Å; T86-L90 HydrophobicContact CG2-CG 4.3Å; T86-L90 WeakPolarHBondContact O-CB 3.31Å; T86-L90 VanDerWaalsContact O-CG 3.28Å; T86-L90 WeakPolarHBondContact O-CG 3.46Å; T86-L90 PolarHBondContact O-N 3.29Å |
| 87 | I | 75.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 178.6 | -48.9 | 173.4 | 0 | 0 | 0 | 110.2 | V80 R84 H85 R89 L90 F91 L125 E128 F131 | V80-I87 HydrophobicContact CG1-CD1 3.86Å; V80-I87 HydrophobicContact CG1-CG1 3.53Å; V80-I87 HydrophobicContact CG2-CG1 4.39Å; R84-I87 HydrophobicContact CG-CD1 3.95Å; R84-I87 WeakPolarHBondContact O-CB 3.43Å; R84-I87 WeakPolarHBondContact O-CG1 3.47Å; R84-I87 PolarHBondContact O-N 3.04Å; H85-I87 PolarHBondContact O-N 2.69Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 3.35Å; I87-L90 CarbonylContact O-C 3.35Å; I87-L90 WeakPolarHBondContact O-CA 3.11Å; I87-L90 PolarHBondContact O-N 2.66Å; I87-F91 HydrophobicContact CG2-CD1 4.3Å; I87-F91 HydrophobicContact CG2-CE1 3.75Å; I87-F91 HydrophobicContact CG2-CZ 4.42Å; I87-F91 WeakPolarHBondContact O-CD1 3.12Å; I87-F91 PolarHBondContact O-N 3.27Å; I87-L125 HydrophobicContact CG2-CD2 4.08Å; I87-E128 HydrophobicContact CB-CG 4.09Å; I87-E128 HydrophobicContact CD1-CG 4.01Å; I87-E128 HydrophobicContact CG2-CB 4.22Å; I87-E128 HydrophobicContact CG2-CG 3.62Å; I87-F131 HydrophobicContact CG2-CD2 4.09Å; I87-F131 HydrophobicContact CG2-CE2 4.05Å |
| 88 | Q | 78 | Confident | 81.4 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 177.7 | -62.6 | 176.7 | -21.6 | 0 | 0 | 112 | H85 T86 L90 F91 | H85-Q88 PolarHBondContact ND1-OE1 3.04Å; H85-Q88 PolarHBondContact O-N 3.14Å; T86-Q88 VanDerWaalsContact C-N 3.35Å; T86-Q88 PolarHBondContact O-N 3.33Å; Q88-L90 VanDerWaalsContact C-N 3.33Å; Q88-F91 HydrophobicContact CB-CD2 4.36Å; Q88-F91 HydrophobicContact CB-CE2 4.18Å; Q88-F91 HydrophobicContact CG-CE2 3.95Å; Q88-F91 HydrophobicContact CG-CZ 4.35Å |
| 89 | R | 78 | Confident | 81.8 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.1 | -28.7 | 173.7 | -66.6 | -77 | 175 | 137.8 | -5.1 | 112.8 | A33 H85 T86 I87 S92 | A33-R89 HydrophobicContact CB-CB 4.44Å; A33-R89 HydrophobicContact CB-CG 4.4Å; H85-R89 PolarHBondContact O-N 2.94Å; H85-R89 VanDerWaalsContact O-N 3.14Å; T86-R89 PolarHBondContact O-N 3.21Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 3.35Å; R89-S92 PolarHBondContact O-OG 3.21Å |
| 90 | L | 79.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -84.1 | -16.1 | 177.7 | -69.6 | 172.8 | 0 | 0 | 0 | 114.2 | I42 L76 V80 T86 I87 Q88 S92 Y93 K94 I97 L125 | I42-L90 HydrophobicContact CD1-CD2 3.84Å; L76-L90 HydrophobicContact CD2-CD1 4.43Å; L76-L90 HydrophobicContact CD2-CD2 4.28Å; V80-L90 HydrophobicContact CG2-CD1 3.68Å; T86-L90 HydrophobicContact CG2-CD1 3.91Å; T86-L90 HydrophobicContact CG2-CG 4.3Å; T86-L90 WeakPolarHBondContact O-CB 3.31Å; T86-L90 VanDerWaalsContact O-CG 3.28Å; T86-L90 WeakPolarHBondContact O-CG 3.46Å; T86-L90 PolarHBondContact O-N 3.29Å; I87-L90 CarbonylContact O-C 3.35Å; I87-L90 WeakPolarHBondContact O-CA 3.11Å; I87-L90 PolarHBondContact O-N 2.66Å; Q88-L90 VanDerWaalsContact C-N 3.33Å; L90-S92 PolarHBondContact O-N 3.04Å; L90-S92 VanDerWaalsContact O-N 3.13Å; L90-Y93 PolarHBondContact O-N 3.24Å; L90-K94 PolarHBondContact O-N 2.85Å; L90-I97 HydrophobicContact CB-CD1 4.34Å; L90-I97 HydrophobicContact CD2-CD1 4.22Å; L90-L125 HydrophobicContact CD1-CD2 3.97Å |
| 91 | F | 79.6 | Confident | 82.5 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -51.8 | -37.5 | 177.5 | -71.3 | -27.3 | 0 | 0 | 0 | 113.3 | I87 Q88 Y93 K94 E128 Q130 F131 | I87-F91 HydrophobicContact CG2-CD1 4.3Å; I87-F91 HydrophobicContact CG2-CE1 3.75Å; I87-F91 HydrophobicContact CG2-CZ 4.42Å; I87-F91 WeakPolarHBondContact O-CD1 3.12Å; I87-F91 PolarHBondContact O-N 3.27Å; Q88-F91 HydrophobicContact CB-CD2 4.36Å; Q88-F91 HydrophobicContact CB-CE2 4.18Å; Q88-F91 HydrophobicContact CG-CE2 3.95Å; Q88-F91 HydrophobicContact CG-CZ 4.35Å; F91-Y93 PolarHBondContact O-N 2.94Å; F91-Y93 VanDerWaalsContact O-N 3.09Å; F91-K94 WeakPolarHBondContact O-CB 3.14Å; F91-K94 VanDerWaalsContact O-CG 3.22Å; F91-K94 WeakPolarHBondContact O-CG 3.13Å; F91-K94 PolarHBondContact O-N 3.38Å; F91-E128 HydrophobicContact CE1-CB 3.7Å; F91-E128 HydrophobicContact CE1-CG 4.05Å; F91-E128 HydrophobicContact CZ-CB 3.7Å; F91-E128 HydrophobicContact CZ-CG 3.84Å; F91-Q130 HydrophobicContact CD1-CB 4.43Å; F91-Q130 HydrophobicContact CE1-CB 4.1Å; F91-Q130 HydrophobicContact CZ-CB 4.38Å; F91-F131 AromaticContact CD1-CD2 3.89Å; F91-F131 HydrophobicContact CD1-CD2 3.89Å; F91-F131 AromaticContact CD1-CE2 3.76Å; F91-F131 HydrophobicContact CD1-CE2 3.76Å; F91-F131 AromaticContact CE1-CD2 3.98Å; F91-F131 HydrophobicContact CE1-CD2 3.98Å; F91-F131 HydrophobicContact CE1-CE2 4.23Å |
| 92 | S | 82 | Confident | 82.9 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 65% | 0.65 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -60 | -17.7 | 176.8 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | R89 L90 | R89-S92 PolarHBondContact O-OG 3.21Å; L90-S92 PolarHBondContact O-N 3.04Å; L90-S92 VanDerWaalsContact O-N 3.13Å |
| 93 | Y | 83.6 | Confident | 83.4 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -110.6 | 5.5 | 177.8 | -61.7 | -86.7 | 0 | 0 | 0 | 113.1 | K39 I42 L90 F91 R95 R96 I97 | K39-Y93 HydrophobicContact CG-CE1 4.24Å; I42-Y93 HydrophobicContact CD1-CD1 4.11Å; I42-Y93 HydrophobicContact CD1-CD2 3.99Å; I42-Y93 HydrophobicContact CD1-CG 3.72Å; I42-Y93 HydrophobicContact CG2-CD1 4.39Å; L90-Y93 PolarHBondContact O-N 3.24Å; F91-Y93 PolarHBondContact O-N 2.94Å; F91-Y93 VanDerWaalsContact O-N 3.09Å; Y93-R95 PolarHBondContact O-N 3.26Å; Y93-R96 CarbonylContact O-C 3.49Å; Y93-R96 WeakPolarHBondContact O-CA 3.25Å; Y93-R96 PolarHBondContact O-N 3.17Å; Y93-I97 PolarHBondContact O-N 3.48Å |
| 94 | K | 86 | Confident | 83.8 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.8 | -50.9 | -164.5 | 66.5 | -172.5 | -179.2 | 167.7 | 0 | 115.1 | L90 F91 R96 I97 L98 Q130 F131 I134 | L90-K94 PolarHBondContact O-N 2.85Å; F91-K94 WeakPolarHBondContact O-CB 3.14Å; F91-K94 VanDerWaalsContact O-CG 3.22Å; F91-K94 WeakPolarHBondContact O-CG 3.13Å; F91-K94 PolarHBondContact O-N 3.38Å; K94-R96 VanDerWaalsContact C-N 3.33Å; K94-R96 PolarHBondContact O-N 2.95Å; K94-I97 PolarHBondContact O-N 3.06Å; K94-L98 WeakPolarHBondContact O-CG 3.37Å; K94-L98 PolarHBondContact O-N 3.41Å; K94-Q130 WeakPolarHBondContact CD-O 3.44Å; K94-Q130 PolarHBondContact NZ-O 3.22Å; K94-F131 HydrophobicContact CB-CD1 4.01Å; K94-F131 HydrophobicContact CB-CE1 3.43Å; K94-F131 VanDerWaalsContact CB-CE1 3.43Å; K94-F131 HydrophobicContact CB-CE2 4.06Å; K94-F131 HydrophobicContact CB-CZ 3.46Å; K94-F131 VanDerWaalsContact CB-CZ 3.46Å; K94-I134 HydrophobicContact CD-CD1 3.95Å; K94-I134 VanDerWaalsContact CE-CD1 3.41Å; K94-I134 HydrophobicContact CG-CD1 4.32Å |
| 95 | R | 85.8 | Confident | 84.4 | Confident | 146 Ų | 146 | 47 Ų | 47 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.3 | -35.3 | 175.4 | -95 | -169.5 | 171.4 | 162.2 | -0.6 | 112.8 | Y93 L98 D99 I134 E137 F138 | Y93-R95 PolarHBondContact O-N 3.26Å; R95-L98 PolarHBondContact O-N 2.98Å; R95-D99 VanDerWaalsContact O-CB 3.23Å; R95-D99 WeakPolarHBondContact O-CB 3.36Å; R95-D99 PolarHBondContact O-N 3.46Å; R95-I134 HydrophobicContact CG-CG2 4.19Å; R95-E137 IonicContact CZ-OE2 2.66Å; R95-E137 IonicContact NE-OE2 3.03Å; R95-E137 PolarHBondContact NE-OE2 3.14Å; R95-E137 VanDerWaalsContact NH2-CD 3.31Å; R95-E137 IonicContact NH2-OE1 3.58Å; R95-E137 PolarHBondContact NH2-OE1 2.93Å; R95-E137 VanDerWaalsContact NH2-OE1 3.08Å; R95-E137 IonicContact NH2-OE2 3.85Å; R95-E137 PolarHBondContact NH2-OE2 3.45Å; R95-F138 HydrophobicContact CG-CZ 4.31Å |
| 96 | R | 88.2 | Confident | 84.8 | Confident | 143 Ų | 143 | 48 Ų | 48 | 54% | 0.54 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73.4 | -33.9 | 179.4 | -167.1 | 168.2 | -173.9 | 154.9 | 2.2 | 112.5 | Y93 K94 I100 | Y93-R96 CarbonylContact O-C 3.49Å; Y93-R96 WeakPolarHBondContact O-CA 3.25Å; Y93-R96 PolarHBondContact O-N 3.17Å; K94-R96 VanDerWaalsContact C-N 3.33Å; K94-R96 PolarHBondContact O-N 2.95Å; R96-I100 HydrophobicContact CG-CD1 4.09Å; R96-I100 WeakPolarHBondContact O-CB 3.5Å; R96-I100 VanDerWaalsContact O-CD1 3.3Å; R96-I100 WeakPolarHBondContact O-CD1 3.42Å; R96-I100 WeakPolarHBondContact O-CG1 3.36Å; R96-I100 PolarHBondContact O-N 3.14Å; R96-I100 VanDerWaalsContact O-N 3.11Å |
| 97 | I | 88.3 | Confident | 85 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -46 | 171.6 | -65.9 | 167.3 | 0 | 0 | 0 | 109.7 | I42 L90 Y93 K94 I101 L125 F131 | I42-I97 HydrophobicContact CD1-CD1 4.13Å; I42-I97 HydrophobicContact CD1-CG1 4.3Å; I42-I97 HydrophobicContact CG1-CG1 4.45Å; I42-I97 HydrophobicContact CG2-CG1 4.41Å; L90-I97 HydrophobicContact CB-CD1 4.34Å; L90-I97 HydrophobicContact CD2-CD1 4.22Å; Y93-I97 PolarHBondContact O-N 3.48Å; K94-I97 PolarHBondContact O-N 3.06Å; I97-I101 HydrophobicContact CG2-CD1 3.88Å; I97-I101 WeakPolarHBondContact O-CG1 3.45Å; I97-I101 PolarHBondContact O-N 3.25Å; I97-I101 VanDerWaalsContact O-N 3.17Å; I97-L125 HydrophobicContact CG2-CD1 4.07Å; I97-F131 HydrophobicContact CD1-CZ 4.45Å |
| 98 | L | 88.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 177.7 | -68.9 | 167.9 | 0 | 0 | 0 | 112.1 | K94 R95 I100 I101 E102 L122 F131 I134 L135 F138 I141 | K94-L98 WeakPolarHBondContact O-CG 3.37Å; K94-L98 PolarHBondContact O-N 3.41Å; R95-L98 PolarHBondContact O-N 2.98Å; L98-I100 PolarHBondContact O-N 2.94Å; L98-I101 PolarHBondContact O-N 3.47Å; L98-I101 VanDerWaalsContact O-N 3.07Å; L98-E102 PolarHBondContact O-N 2.97Å; L98-L122 HydrophobicContact CD2-CD2 3.59Å; L98-F131 HydrophobicContact CD1-CD1 4.42Å; L98-I134 HydrophobicContact CD1-CB 4.29Å; L98-I134 HydrophobicContact CD1-CG2 4.39Å; L98-L135 HydrophobicContact CD2-CD1 4Å; L98-F138 HydrophobicContact CB-CD1 4.21Å; L98-F138 HydrophobicContact CB-CD2 3.76Å; L98-F138 HydrophobicContact CB-CE1 3.92Å; L98-F138 HydrophobicContact CB-CE2 3.44Å; L98-F138 VanDerWaalsContact CB-CE2 3.44Å; L98-F138 HydrophobicContact CB-CG 4.14Å; L98-F138 HydrophobicContact CB-CZ 3.52Å; L98-F138 HydrophobicContact CD1-CD2 3.9Å; L98-F138 HydrophobicContact CD1-CE2 3.54Å; L98-F138 HydrophobicContact CD1-CZ 4.35Å; L98-F138 HydrophobicContact CG-CD2 4.28Å; L98-F138 HydrophobicContact CG-CE2 4.07Å; L98-I141 HydrophobicContact CD2-CD1 4.18Å |
| 99 | D | 88.7 | Confident | 84.9 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 176.9 | 177.6 | 64.7 | 0 | 0 | 0 | 112.7 | R95 I101 E102 R103 F138 | R95-D99 VanDerWaalsContact O-CB 3.23Å; R95-D99 WeakPolarHBondContact O-CB 3.36Å; R95-D99 PolarHBondContact O-N 3.46Å; D99-I101 VanDerWaalsContact C-N 3.28Å; D99-I101 PolarHBondContact O-N 3.3Å; D99-E102 PolarHBondContact O-N 2.93Å; D99-R103 VanDerWaalsContact O-CB 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.45Å; D99-R103 VanDerWaalsContact O-CG 3.26Å; D99-R103 WeakPolarHBondContact O-CG 3.29Å; D99-R103 PolarHBondContact O-N 3.11Å; D99-F138 HydrophobicContact CB-CE1 4.2Å |
| 100 | I | 89.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 174.7 | -70.8 | 167.1 | 0 | 0 | 0 | 111.6 | I42 M45 V49 R96 L98 A104 | I42-I100 HydrophobicContact CG2-CD1 4.18Å; M45-I100 HydrophobicContact CB-CG2 4.02Å; M45-I100 HydrophobicContact CE-CG2 4.23Å; V49-I100 HydrophobicContact CB-CG2 4.35Å; V49-I100 HydrophobicContact CG2-CG2 3.76Å; R96-I100 HydrophobicContact CG-CD1 4.09Å; R96-I100 WeakPolarHBondContact O-CB 3.5Å; R96-I100 VanDerWaalsContact O-CD1 3.3Å; R96-I100 WeakPolarHBondContact O-CD1 3.42Å; R96-I100 WeakPolarHBondContact O-CG1 3.36Å; R96-I100 PolarHBondContact O-N 3.14Å; R96-I100 VanDerWaalsContact O-N 3.11Å; L98-I100 PolarHBondContact O-N 2.94Å; I100-A104 PolarHBondContact O-N 3.01Å |
| 101 | I | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.1 | -40.2 | -179.9 | -63.1 | 170.8 | 0 | 0 | 0 | 111.1 | I97 L98 D99 A104 F105 F118 L121 L122 I141 | I97-I101 HydrophobicContact CG2-CD1 3.88Å; I97-I101 WeakPolarHBondContact O-CG1 3.45Å; I97-I101 PolarHBondContact O-N 3.25Å; I97-I101 VanDerWaalsContact O-N 3.17Å; L98-I101 PolarHBondContact O-N 3.47Å; L98-I101 VanDerWaalsContact O-N 3.07Å; D99-I101 VanDerWaalsContact C-N 3.28Å; D99-I101 PolarHBondContact O-N 3.3Å; I101-A104 PolarHBondContact O-N 3.39Å; I101-F105 HydrophobicContact CG2-CD2 3.83Å; I101-F105 HydrophobicContact CG2-CE2 3.7Å; I101-F105 HydrophobicContact CG2-CG 4.39Å; I101-F105 HydrophobicContact CG2-CZ 4.14Å; I101-F105 WeakPolarHBondContact O-CB 3.28Å; I101-F105 WeakPolarHBondContact O-CG 3.44Å; I101-F105 PolarHBondContact O-N 3.34Å; I101-F118 HydrophobicContact CB-CD1 4.37Å; I101-F118 HydrophobicContact CD1-CD1 4.04Å; I101-F118 HydrophobicContact CG1-CD1 3.59Å; I101-F118 HydrophobicContact CG1-CE1 3.77Å; I101-F118 HydrophobicContact CG2-CB 4.15Å; I101-F118 HydrophobicContact CG2-CD1 4.09Å; I101-F118 HydrophobicContact CG2-CG 4.2Å; I101-L121 HydrophobicContact CD1-CD2 4.47Å; I101-L122 HydrophobicContact CD1-CD2 3.74Å; I101-L122 HydrophobicContact CD1-CG 4.09Å; I101-L122 HydrophobicContact CG2-CD1 4.07Å; I101-I141 HydrophobicContact CB-CD1 4.36Å; I101-I141 HydrophobicContact CG2-CD1 4.22Å |
| 102 | E | 90.6 | Very high | 86.1 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 175.1 | -166.1 | -179.3 | -119.5 | 0 | 0 | 110.9 | L98 D99 A104 F105 R106 F138 R139 D140 I141 | L98-E102 PolarHBondContact O-N 2.97Å; D99-E102 PolarHBondContact O-N 2.93Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3Å; E102-F105 CarbonylContact O-C 3.32Å; E102-F105 WeakPolarHBondContact O-CA 3.35Å; E102-F105 PolarHBondContact O-N 3.12Å; E102-R106 PolarHBondContact O-N 2.98Å; E102-R106 IonicContact OE2-CZ 2.61Å; E102-R106 IonicContact OE2-NE 2.66Å; E102-R106 IonicContact OE2-NH2 2.82Å; E102-R106 PolarHBondContact OE2-NH2 2.91Å; E102-F138 HydrophobicContact CB-CD1 3.93Å; E102-F138 HydrophobicContact CG-CB 4.48Å; E102-F138 HydrophobicContact CG-CD1 4.36Å; E102-F138 WeakPolarHBondContact OE1-CA 3.43Å; E102-F138 WeakPolarHBondContact OE1-CB 3.3Å; E102-R139 PolarHBondContact OE1-N 3.49Å; E102-D140 HydrophobicContact CG-CB 3.62Å; E102-D140 PolarHBondContact OE1-N 3.35Å; E102-D140 VanDerWaalsContact OE1-N 3.14Å; E102-I141 HydrophobicContact CB-CD1 4.11Å; E102-I141 HydrophobicContact CB-CG1 3.84Å; E102-I141 HydrophobicContact CG-CG1 4.1Å |
| 103 | R | 89.1 | Confident | 86.4 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.3 | -43.6 | 174.5 | -77.6 | -179.7 | 70.2 | -178.1 | 4.9 | 112.7 | V49 E50 E53 D99 F105 | V49-R103 HydrophobicContact CG1-CB 3.66Å; E50-R103 IonicContact OE1-CZ 3.7Å; E50-R103 IonicContact OE1-NH1 3.2Å; E50-R103 PolarHBondContact OE1-NH1 3.13Å; E50-R103 IonicContact OE1-NH2 3.48Å; E53-R103 VanDerWaalsContact OE1-CB 3.3Å; E53-R103 WeakPolarHBondContact OE1-CB 3.42Å; E53-R103 WeakPolarHBondContact OE1-CG 3.23Å; E53-R103 IonicContact OE1-CZ 3.73Å; E53-R103 IonicContact OE1-NE 3.47Å; E53-R103 PolarHBondContact OE1-NE 2.9Å; E53-R103 IonicContact OE1-NH2 3.58Å; E53-R103 PolarHBondContact OE1-NH2 3.37Å; E53-R103 IonicContact OE2-CZ 3.94Å; E53-R103 IonicContact OE2-NE 3.72Å; E53-R103 IonicContact OE2-NH2 3.54Å; E53-R103 PolarHBondContact OE2-NH2 2.89Å; D99-R103 VanDerWaalsContact O-CB 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.45Å; D99-R103 VanDerWaalsContact O-CG 3.26Å; D99-R103 WeakPolarHBondContact O-CG 3.29Å; D99-R103 PolarHBondContact O-N 3.11Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-F105 PolarHBondContact O-N 3.12Å |
| 104 | A | 87.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -38 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V49 I100 I101 E102 V110 F118 | V49-A104 HydrophobicContact CG1-CB 4.26Å; V49-A104 HydrophobicContact CG2-CB 4Å; I100-A104 PolarHBondContact O-N 3.01Å; I101-A104 PolarHBondContact O-N 3.39Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3Å; A104-V110 WeakPolarHBondContact O-CG2 3.41Å; A104-F118 HydrophobicContact CB-CE2 3.83Å; A104-F118 HydrophobicContact CB-CZ 3.93Å |
| 105 | F | 89.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -81.7 | -16.2 | -176.4 | -75.6 | -6.7 | 0 | 0 | 0 | 115.4 | I101 E102 R103 R107 V110 A115 F118 V119 I141 C144 | I101-F105 HydrophobicContact CG2-CD2 3.83Å; I101-F105 HydrophobicContact CG2-CE2 3.7Å; I101-F105 HydrophobicContact CG2-CG 4.39Å; I101-F105 HydrophobicContact CG2-CZ 4.14Å; I101-F105 WeakPolarHBondContact O-CB 3.28Å; I101-F105 WeakPolarHBondContact O-CG 3.44Å; I101-F105 PolarHBondContact O-N 3.34Å; E102-F105 CarbonylContact O-C 3.32Å; E102-F105 WeakPolarHBondContact O-CA 3.35Å; E102-F105 PolarHBondContact O-N 3.12Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-F105 PolarHBondContact O-N 3.12Å; F105-R107 PolarHBondContact O-N 3.29Å; F105-V110 HydrophobicContact CD1-CG1 4.42Å; F105-V110 HydrophobicContact CD1-CG2 4.34Å; F105-V110 HydrophobicContact CE1-CG1 4.35Å; F105-A115 HydrophobicContact CE1-CB 4.31Å; F105-F118 HydrophobicContact CD1-CD2 4.4Å; F105-F118 HydrophobicContact CE1-CB 3.82Å; F105-F118 AromaticContact CE1-CD2 3.63Å; F105-F118 HydrophobicContact CE1-CD2 3.63Å; F105-F118 HydrophobicContact CE1-CG 4.07Å; F105-F118 HydrophobicContact CE2-CB 4.31Å; F105-F118 HydrophobicContact CZ-CB 3.42Å; F105-F118 VanDerWaalsContact CZ-CB 3.42Å; F105-F118 HydrophobicContact CZ-CD2 4.17Å; F105-F118 HydrophobicContact CZ-CG 4.15Å; F105-V119 HydrophobicContact CE2-CG2 4.32Å; F105-V119 HydrophobicContact CZ-CG2 4.16Å; F105-I141 HydrophobicContact CD2-CB 4.35Å; F105-I141 HydrophobicContact CD2-CG1 4.21Å; F105-I141 HydrophobicContact CD2-CG2 4.21Å; F105-I141 HydrophobicContact CE2-CG2 4.27Å; F105-C144 HydrophobicContact CB-CB 3.82Å; F105-C144 HydrophobicContact CD2-CB 3.95Å; F105-C144 HydrophobicContact CG-CB 3.93Å |
| 106 | R | 86 | Confident | 87.2 | Confident | 134 Ų | 134 | 42.9 Ų | 42.9 | 51% | 0.506 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28 | 168 | -76.1 | 177.1 | -171.2 | 160.4 | 10 | 112.9 | E102 D140 | E102-R106 PolarHBondContact O-N 2.98Å; E102-R106 IonicContact OE2-CZ 2.61Å; E102-R106 IonicContact OE2-NE 2.66Å; E102-R106 IonicContact OE2-NH2 2.82Å; E102-R106 PolarHBondContact OE2-NH2 2.91Å; R106-D140 WeakPolarHBondContact CD-OD2 3.4Å; R106-D140 HydrophobicContact CG-CB 3.98Å; R106-D140 WeakPolarHBondContact CG-OD2 3.38Å; R106-D140 IonicContact CZ-OD2 2.79Å; R106-D140 IonicContact NE-OD2 3.45Å; R106-D140 PolarHBondContact NE-OD2 2.89Å; R106-D140 IonicContact NH2-OD2 3.02Å |
| 107 | R | 80.6 | Confident | 87.3 | Confident | 36 Ų | 36 | 40 Ų | 40 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -68.7 | 123.8 | 176.8 | -153.9 | 171.7 | -174.9 | -122.8 | 4.7 | 108.7 | Y52 I55 F105 S109 V110 | Y52-R107 HydrophobicContact CE1-CB 4.3Å; Y52-R107 HydrophobicContact CE1-CG 4.5Å; Y52-R107 WeakPolarHBondContact O-CD 3.43Å; Y52-R107 PolarHBondContact O-NE 3.19Å; Y52-R107 VanDerWaalsContact O-NE 3.09Å; Y52-R107 PolarHBondContact OH-NH1 3.48Å; I55-R107 PolarHBondContact O-NH2 3.14Å; F105-R107 PolarHBondContact O-N 3.29Å; R107-S109 PolarHBondContact O-N 2.94Å; R107-V110 HydrophobicContact CB-CG2 4.3Å; R107-V110 WeakPolarHBondContact O-CG2 3.46Å |
| 108 | P | 73.3 | Confident | 87.5 | Confident | 107 Ų | 107 | 39.8 Ų | 39.8 | 70% | 0.695 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.5 | -173.2 | 23.6 | -33.2 | 0 | 0 | 0 | 113.2 | R147 | P108-R147 PolarHBondContact O-NH1 3.12Š|
| 109 | S | 78.5 | Confident | 87.7 | Confident | 79 Ų | 79 | 39.8 Ų | 39.8 | 55% | 0.552 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 33.4 | -171.3 | 68.3 | 0 | 0 | 0 | 0 | 114.8 | R107 | R107-S109 PolarHBondContact O-N 2.94Š|
| 110 | V | 86.3 | Confident | 87.8 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | trans | -60.8 | 129.9 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | Y52 A104 F105 R107 L114 A115 W148 | Y52-V110 HydrophobicContact CE1-CG2 4.22Å; A104-V110 WeakPolarHBondContact O-CG2 3.41Å; F105-V110 HydrophobicContact CD1-CG1 4.42Å; F105-V110 HydrophobicContact CD1-CG2 4.34Å; F105-V110 HydrophobicContact CE1-CG1 4.35Å; R107-V110 HydrophobicContact CB-CG2 4.3Å; R107-V110 WeakPolarHBondContact O-CG2 3.46Å; V110-L114 HydrophobicContact CG1-CB 4.26Å; V110-L114 HydrophobicContact CG1-CD2 4.44Å; V110-L114 HydrophobicContact CG1-CG 4.38Å; V110-A115 HydrophobicContact CG1-CB 3.98Å; V110-W148 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 111 | P | 87.5 | Confident | 87.9 | Confident | 44 Ų | 44 | 40 Ų | 40 | 29% | 0.286 | 20% | 0.195 | S | C | . | . | trans | -66.6 | 142.3 | 176.8 | -18.4 | 27.3 | 0 | 0 | 0 | 112.6 | Y52 E66 I113 L114 A115 | Y52-P111 VanDerWaalsContact OH-CD 3.25Å; Y52-P111 WeakPolarHBondContact OH-CD 3.47Å; E66-P111 HydrophobicContact CG-CG 4.34Å; E66-P111 WeakPolarHBondContact OE1-CD 3.22Å; E66-P111 WeakPolarHBondContact OE1-CG 3.45Å; E66-P111 WeakPolarHBondContact OE2-CG 3.37Å; P111-I113 PolarHBondContact O-N 3.05Å; P111-I113 VanDerWaalsContact O-N 3.09Å; P111-L114 PolarHBondContact O-N 3.25Å; P111-A115 PolarHBondContact O-N 3.37Å | ||
| 112 | K | 88.9 | Confident | 87.9 | Confident | 53 Ų | 53 | 40.1 Ų | 40.1 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -40 | -48.8 | 173.4 | 179.8 | -178.8 | 168.5 | -179 | 0 | 113.9 | L114 A115 F116 W148 D153 L154 E158 | K112-L114 VanDerWaalsContact C-N 3.34Å; K112-L114 PolarHBondContact O-N 2.62Å; K112-A115 PolarHBondContact O-N 3.01Å; K112-F116 WeakPolarHBondContact O-CB 3.49Å; K112-F116 PolarHBondContact O-N 3.32Å; K112-W148 HydrophobicContact CB-CH2 3.58Å; K112-W148 HydrophobicContact CB-CZ2 4.18Å; K112-W148 HydrophobicContact CB-CZ3 3.92Å; K112-W148 HydrophobicContact CG-CH2 4.28Å; K112-W148 HydrophobicContact CG-CZ3 4.12Å; K112-D153 HydrophobicContact CD-CB 4.42Å; K112-D153 WeakPolarHBondContact CE-O 3.23Å; K112-D153 PolarHBondContact NZ-O 3.41Å; K112-L154 HydrophobicContact CD-CD2 4.18Å; K112-L154 HydrophobicContact CG-CD2 4Å; K112-E158 VanDerWaalsContact CE-CD 3.43Å; K112-E158 WeakPolarHBondContact CE-OE2 3.44Å; K112-E158 IonicContact NZ-OE1 3.27Å; K112-E158 IonicContact NZ-OE2 2.86Å; K112-E158 PolarHBondContact NZ-OE2 3.34Å |
| 113 | I | 87.9 | Confident | 87.9 | Confident | 113 Ų | 113 | 39.5 Ų | 39.5 | 58% | 0.579 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -64.5 | -38.1 | -177.2 | -61.6 | 174.7 | 0 | 0 | 0 | 111.6 | P111 R117 | P111-I113 PolarHBondContact O-N 3.05Å; P111-I113 VanDerWaalsContact O-N 3.09Å; I113-R117 VanDerWaalsContact O-CG 3.24Å; I113-R117 WeakPolarHBondContact O-CG 3.03Å; I113-R117 PolarHBondContact O-N 2.7Å |
| 114 | L | 89.2 | Confident | 87.9 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.2 | -43.4 | 178.9 | -176.6 | 58.2 | 0 | 0 | 0 | 110.7 | E66 L69 V110 P111 K112 F116 R117 F118 | E66-L114 HydrophobicContact CB-CD2 4.33Å; E66-L114 HydrophobicContact CG-CD2 4.02Å; L69-L114 HydrophobicContact CB-CD1 4.03Å; V110-L114 HydrophobicContact CG1-CB 4.26Å; V110-L114 HydrophobicContact CG1-CD2 4.44Å; V110-L114 HydrophobicContact CG1-CG 4.38Å; P111-L114 PolarHBondContact O-N 3.25Å; K112-L114 VanDerWaalsContact C-N 3.34Å; K112-L114 PolarHBondContact O-N 2.62Å; L114-F116 PolarHBondContact O-N 3.23Å; L114-R117 PolarHBondContact O-N 3.32Å; L114-F118 HydrophobicContact CD1-CD2 3.92Å; L114-F118 HydrophobicContact CD1-CE2 3.56Å; L114-F118 HydrophobicContact CD1-CZ 4.26Å; L114-F118 HydrophobicContact CD2-CE2 4.11Å; L114-F118 HydrophobicContact CG-CD2 3.85Å; L114-F118 HydrophobicContact CG-CE2 3.6Å; L114-F118 VanDerWaalsContact O-CD2 3.3Å; L114-F118 WeakPolarHBondContact O-CD2 3.3Å; L114-F118 PolarHBondContact O-N 3.5Å |
| 115 | A | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.6 | -50.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | F105 V110 P111 K112 R117 F118 V119 F162 | F105-A115 HydrophobicContact CE1-CB 4.31Å; V110-A115 HydrophobicContact CG1-CB 3.98Å; P111-A115 PolarHBondContact O-N 3.37Å; K112-A115 PolarHBondContact O-N 3.01Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.21Å; A115-F118 PolarHBondContact O-N 3.25Å; A115-V119 WeakPolarHBondContact O-CG2 3.21Å; A115-V119 PolarHBondContact O-N 2.93Å; A115-F162 HydrophobicContact CB-CZ 4.16Å |
| 116 | F | 91.2 | Very high | 87.8 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 177.7 | 175.1 | -112.1 | 0 | 0 | 0 | 112.8 | K112 L114 V119 R120 E158 F161 F162 | K112-F116 WeakPolarHBondContact O-CB 3.49Å; K112-F116 PolarHBondContact O-N 3.32Å; L114-F116 PolarHBondContact O-N 3.23Å; F116-V119 PolarHBondContact O-N 3.28Å; F116-R120 VanDerWaalsContact O-CB 3.3Å; F116-R120 WeakPolarHBondContact O-CB 3.41Å; F116-R120 PolarHBondContact O-N 2.96Å; F116-E158 HydrophobicContact CD2-CB 3.97Å; F116-E158 HydrophobicContact CD2-CG 4.03Å; F116-E158 HydrophobicContact CE2-CB 4.13Å; F116-E158 HydrophobicContact CE2-CG 4.07Å; F116-E158 HydrophobicContact CG-CG 4.3Å; F116-E158 HydrophobicContact CZ-CG 4.35Å; F116-F161 HydrophobicContact CD2-CB 4.49Å; F116-F161 HydrophobicContact CE2-CB 4Å; F116-F161 AromaticContact CE2-CD2 3.82Å; F116-F161 HydrophobicContact CE2-CD2 3.82Å; F116-F161 HydrophobicContact CE2-CG 4.01Å; F116-F161 HydrophobicContact CZ-CD2 4.24Å; F116-F162 HydrophobicContact CB-CE2 4.44Å; F116-F162 HydrophobicContact CD2-CE2 4.4Å |
| 117 | R | 90.1 | Very high | 87.7 | Confident | 83 Ų | 83 | 35.6 Ų | 35.6 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 176.1 | -72.9 | 174.4 | -168.2 | -158.8 | 7 | 111.7 | G70 V73 I113 L114 A115 R120 L121 | G70-R117 WeakPolarHBondContact O-CD 3.39Å; G70-R117 PolarHBondContact O-NH1 3.26Å; V73-R117 HydrophobicContact CB-CB 4.47Å; V73-R117 VanDerWaalsContact CG1-C 3.42Å; V73-R117 HydrophobicContact CG1-CB 3.89Å; V73-R117 VanDerWaalsContact CG1-O 3.23Å; V73-R117 WeakPolarHBondContact CG1-O 3.38Å; I113-R117 VanDerWaalsContact O-CG 3.24Å; I113-R117 WeakPolarHBondContact O-CG 3.03Å; I113-R117 PolarHBondContact O-N 2.7Å; L114-R117 PolarHBondContact O-N 3.32Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.21Å; R117-R120 PolarHBondContact O-N 3.25Å; R117-L121 PolarHBondContact O-N 3.03Å |
| 118 | F | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.9 | -80.5 | -57.5 | 0 | 0 | 0 | 111.9 | M45 V73 I101 A104 F105 L114 A115 R120 L121 L122 | M45-F118 HydrophobicContact CE-CE1 3.97Å; V73-F118 HydrophobicContact CB-CD1 4.45Å; V73-F118 HydrophobicContact CG1-CD1 4.02Å; V73-F118 HydrophobicContact CG1-CG 4.47Å; V73-F118 HydrophobicContact CG2-CD1 3.51Å; V73-F118 HydrophobicContact CG2-CE1 3.29Å; V73-F118 HydrophobicContact CG2-CG 4.37Å; V73-F118 HydrophobicContact CG2-CZ 3.98Å; I101-F118 HydrophobicContact CB-CD1 4.37Å; I101-F118 HydrophobicContact CD1-CD1 4.04Å; I101-F118 HydrophobicContact CG1-CD1 3.59Å; I101-F118 HydrophobicContact CG1-CE1 3.77Å; I101-F118 HydrophobicContact CG2-CB 4.15Å; I101-F118 HydrophobicContact CG2-CD1 4.09Å; I101-F118 HydrophobicContact CG2-CG 4.2Å; A104-F118 HydrophobicContact CB-CE2 3.83Å; A104-F118 HydrophobicContact CB-CZ 3.93Å; F105-F118 HydrophobicContact CD1-CD2 4.4Å; F105-F118 HydrophobicContact CE1-CB 3.82Å; F105-F118 AromaticContact CE1-CD2 3.63Å; F105-F118 HydrophobicContact CE1-CD2 3.63Å; F105-F118 HydrophobicContact CE1-CG 4.07Å; F105-F118 HydrophobicContact CE2-CB 4.31Å; F105-F118 HydrophobicContact CZ-CB 3.42Å; F105-F118 VanDerWaalsContact CZ-CB 3.42Å; F105-F118 HydrophobicContact CZ-CD2 4.17Å; F105-F118 HydrophobicContact CZ-CG 4.15Å; L114-F118 HydrophobicContact CD1-CD2 3.92Å; L114-F118 HydrophobicContact CD1-CE2 3.56Å; L114-F118 HydrophobicContact CD1-CZ 4.26Å; L114-F118 HydrophobicContact CD2-CE2 4.11Å; L114-F118 HydrophobicContact CG-CD2 3.85Å; L114-F118 HydrophobicContact CG-CE2 3.6Å; L114-F118 VanDerWaalsContact O-CD2 3.3Å; L114-F118 WeakPolarHBondContact O-CD2 3.3Å; L114-F118 PolarHBondContact O-N 3.5Å; A115-F118 PolarHBondContact O-N 3.25Å; F118-R120 PolarHBondContact O-N 2.92Å; F118-L121 WeakPolarHBondContact O-CB 3.45Å; F118-L121 PolarHBondContact O-N 3.4Å; F118-L122 WeakPolarHBondContact O-CG 3.11Å; F118-L122 PolarHBondContact O-N 2.86Å |
| 119 | V | 92.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 177.1 | 170 | 0 | 0 | 0 | 0 | 111.9 | F105 A115 F116 L121 L122 V123 F161 F162 L165 | F105-V119 HydrophobicContact CE2-CG2 4.32Å; F105-V119 HydrophobicContact CZ-CG2 4.16Å; A115-V119 WeakPolarHBondContact O-CG2 3.21Å; A115-V119 PolarHBondContact O-N 2.93Å; F116-V119 PolarHBondContact O-N 3.28Å; V119-L121 VanDerWaalsContact C-N 3.34Å; V119-L121 PolarHBondContact O-N 2.91Å; V119-L122 PolarHBondContact O-N 3.44Å; V119-V123 HydrophobicContact CG1-CG2 4.26Å; V119-V123 WeakPolarHBondContact O-CB 3.37Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.24Å; V119-V123 PolarHBondContact O-N 3.09Å; V119-F161 HydrophobicContact CG1-CB 4.2Å; V119-F162 HydrophobicContact CB-CD1 4.47Å; V119-F162 HydrophobicContact CB-CE1 4.31Å; V119-F162 HydrophobicContact CB-CZ 4.46Å; V119-F162 HydrophobicContact CG1-CD1 4.2Å; V119-F162 HydrophobicContact CG1-CD2 4.49Å; V119-F162 HydrophobicContact CG1-CG 4.19Å; V119-F162 HydrophobicContact CG2-CD1 3.86Å; V119-F162 HydrophobicContact CG2-CE1 3.56Å; V119-F162 HydrophobicContact CG2-CZ 4.09Å; V119-L165 HydrophobicContact CB-CD2 4.42Å; V119-L165 HydrophobicContact CG1-CB 4.17Å; V119-L165 HydrophobicContact CG1-CD2 4.05Å; V119-L165 HydrophobicContact CG2-CD2 3.92Å |
| 120 | R | 91.6 | Very high | 87.4 | Confident | 70 Ų | 70 | 38.1 Ų | 38.1 | 26% | 0.264 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 172.4 | 178.8 | 174.7 | 169.3 | -143.2 | -12.9 | 111.6 | N78 F116 R117 F118 L124 F161 | N78-R120 PolarHBondContact OD1-NH2 3.43Å; N78-R120 VanDerWaalsContact OD1-NH2 3.14Å; F116-R120 VanDerWaalsContact O-CB 3.3Å; F116-R120 WeakPolarHBondContact O-CB 3.41Å; F116-R120 PolarHBondContact O-N 2.96Å; R117-R120 PolarHBondContact O-N 3.25Å; F118-R120 PolarHBondContact O-N 2.92Å; R120-L124 HydrophobicContact CG-CD1 4.12Å; R120-L124 WeakPolarHBondContact O-CB 3.38Å; R120-L124 WeakPolarHBondContact O-CD1 3.37Å; R120-L124 WeakPolarHBondContact O-CG 3.29Å; R120-L124 PolarHBondContact O-N 3.04Å; R120-L124 VanDerWaalsContact O-N 3.16Å; R120-F161 HydrophobicContact CB-CD1 4.25Å; R120-F161 HydrophobicContact CB-CE1 4.27Å; R120-F161 HydrophobicContact CG-CD1 4.39Å; R120-F161 HydrophobicContact CG-CE1 3.9Å; R120-F161 HydrophobicContact CG-CZ 4.33Å |
| 121 | L | 90.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 174.2 | 179.8 | 58.2 | 0 | 0 | 0 | 111.4 | V73 L76 S77 I101 R117 F118 V119 V123 L124 L125 | V73-L121 HydrophobicContact CG1-CB 4.02Å; V73-L121 HydrophobicContact CG1-CD2 4.08Å; L76-L121 HydrophobicContact CB-CD1 3.98Å; L76-L121 HydrophobicContact CB-CD2 4.18Å; L76-L121 HydrophobicContact CD1-CD2 4.32Å; S77-L121 WeakPolarHBondContact OG-CB 3.47Å; I101-L121 HydrophobicContact CD1-CD2 4.47Å; R117-L121 PolarHBondContact O-N 3.03Å; F118-L121 WeakPolarHBondContact O-CB 3.45Å; F118-L121 PolarHBondContact O-N 3.4Å; V119-L121 VanDerWaalsContact C-N 3.34Å; V119-L121 PolarHBondContact O-N 2.91Å; L121-V123 PolarHBondContact O-N 3.37Å; L121-L124 PolarHBondContact O-N 3.03Å; L121-L125 HydrophobicContact CD1-CD1 3.99Å; L121-L125 HydrophobicContact CD1-CG 4.11Å; L121-L125 HydrophobicContact CG-CD1 3.91Å; L121-L125 HydrophobicContact CG-CG 4.44Å; L121-L125 WeakPolarHBondContact O-CG 3.43Å; L121-L125 PolarHBondContact O-N 2.98Å |
| 122 | L | 91.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 179.4 | -69.7 | 173.7 | 0 | 0 | 0 | 112.5 | L98 I101 F118 V119 L124 L125 C126 L135 I141 L165 | L98-L122 HydrophobicContact CD2-CD2 3.59Å; I101-L122 HydrophobicContact CD1-CD2 3.74Å; I101-L122 HydrophobicContact CD1-CG 4.09Å; I101-L122 HydrophobicContact CG2-CD1 4.07Å; F118-L122 WeakPolarHBondContact O-CG 3.11Å; F118-L122 PolarHBondContact O-N 2.86Å; V119-L122 PolarHBondContact O-N 3.44Å; L122-L124 VanDerWaalsContact C-N 3.26Å; L122-L124 PolarHBondContact O-N 3.33Å; L122-L125 PolarHBondContact O-N 3.3Å; L122-C126 WeakPolarHBondContact O-CB 3.44Å; L122-C126 PolarHBondContact O-N 3.39Å; L122-C126 PolarHBondContact O-SG 2.98Å; L122-L135 HydrophobicContact CD2-CD1 4.47Å; L122-I141 HydrophobicContact CD1-CG2 3.59Å; L122-L165 HydrophobicContact CB-CD1 3.62Å; L122-L165 HydrophobicContact CB-CD2 4.36Å; L122-L165 HydrophobicContact CD1-CD1 4.25Å; L122-L165 HydrophobicContact CD1-CD2 3.78Å |
| 123 | V | 91 | Very high | 86.2 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -29.9 | 178.1 | 168.4 | 0 | 0 | 0 | 0 | 112.4 | V119 L121 F161 R164 L165 | V119-V123 HydrophobicContact CG1-CG2 4.26Å; V119-V123 WeakPolarHBondContact O-CB 3.37Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.24Å; V119-V123 PolarHBondContact O-N 3.09Å; L121-V123 PolarHBondContact O-N 3.37Å; V123-F161 HydrophobicContact CB-CD1 3.92Å; V123-F161 HydrophobicContact CB-CE1 4.34Å; V123-F161 HydrophobicContact CG1-CD1 3.8Å; V123-F161 HydrophobicContact CG1-CE1 3.97Å; V123-F161 HydrophobicContact CG2-CD1 4.17Å; V123-F161 WeakPolarHBondContact CG2-O 3.21Å; V123-R164 HydrophobicContact CG1-CB 4.34Å; V123-R164 HydrophobicContact CG1-CG 3.88Å; V123-R164 HydrophobicContact CG2-CB 4.41Å; V123-L165 HydrophobicContact CG2-CB 3.77Å; V123-L165 HydrophobicContact CG2-CD1 4.24Å |
| 124 | L | 88.5 | Confident | 86 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.7 | -39.6 | 173.8 | -72.8 | 169.5 | 0 | 0 | 0 | 112.1 | S77 V80 W81 R120 L121 L122 Q127 | S77-L124 WeakPolarHBondContact O-CD1 3.21Å; V80-L124 HydrophobicContact CG1-CB 3.74Å; W81-L124 HydrophobicContact CB-CD1 4.17Å; W81-L124 HydrophobicContact CB-CD2 4.3Å; R120-L124 HydrophobicContact CG-CD1 4.12Å; R120-L124 WeakPolarHBondContact O-CB 3.38Å; R120-L124 WeakPolarHBondContact O-CD1 3.37Å; R120-L124 WeakPolarHBondContact O-CG 3.29Å; R120-L124 PolarHBondContact O-N 3.04Å; R120-L124 VanDerWaalsContact O-N 3.16Å; L121-L124 PolarHBondContact O-N 3.03Å; L122-L124 VanDerWaalsContact C-N 3.26Å; L122-L124 PolarHBondContact O-N 3.33Å; L124-Q127 WeakPolarHBondContact O-CG 3.27Å |
| 125 | L | 88.2 | Confident | 85.8 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.3 | -35.9 | 176.5 | -67.6 | 172.2 | 0 | 0 | 0 | 112.5 | V80 I87 L90 I97 L121 L122 Q127 E128 F131 | V80-L125 HydrophobicContact CG2-CD2 3.94Å; I87-L125 HydrophobicContact CG2-CD2 4.08Å; L90-L125 HydrophobicContact CD1-CD2 3.97Å; I97-L125 HydrophobicContact CG2-CD1 4.07Å; L121-L125 HydrophobicContact CD1-CD1 3.99Å; L121-L125 HydrophobicContact CD1-CG 4.11Å; L121-L125 HydrophobicContact CG-CD1 3.91Å; L121-L125 HydrophobicContact CG-CG 4.44Å; L121-L125 WeakPolarHBondContact O-CG 3.43Å; L121-L125 PolarHBondContact O-N 2.98Å; L122-L125 PolarHBondContact O-N 3.3Å; L125-Q127 PolarHBondContact O-N 3.33Å; L125-E128 PolarHBondContact O-N 2.9Å; L125-F131 HydrophobicContact CB-CB 4.47Å; L125-F131 HydrophobicContact CB-CD1 4.08Å; L125-F131 HydrophobicContact CB-CD2 3.95Å; L125-F131 HydrophobicContact CB-CE1 4.25Å; L125-F131 HydrophobicContact CB-CE2 4.14Å; L125-F131 HydrophobicContact CB-CG 3.93Å; L125-F131 HydrophobicContact CB-CZ 4.28Å; L125-F131 HydrophobicContact CD1-CD1 4.48Å; L125-F131 HydrophobicContact CD1-CE1 3.92Å; L125-F131 HydrophobicContact CD1-CZ 3.97Å; L125-F131 HydrophobicContact CD2-CD2 4.47Å; L125-F131 HydrophobicContact CD2-CE2 3.88Å; L125-F131 HydrophobicContact CD2-CZ 4Å; L125-F131 HydrophobicContact CG-CE2 4.41Å; L125-F131 HydrophobicContact CG-CZ 4.31Å |
| 126 | C | 87.3 | Confident | 85.3 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 8% | 0.081 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 16.8 | 176.8 | -61.3 | 0 | 0 | 0 | 0 | 114.1 | L122 C168 | L122-C126 WeakPolarHBondContact O-CB 3.44Å; L122-C126 PolarHBondContact O-N 3.39Å; L122-C126 PolarHBondContact O-SG 2.98Å; C126-C168 HydrophobicContact CB-CB 3.85Å |
| 127 | Q | 82.1 | Confident | 84.9 | Confident | 80 Ų | 80 | 36 Ų | 36 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.4 | 163.1 | -63.1 | -173.2 | 21 | 0 | 0 | 112.9 | R84 L124 L125 | R84-Q127 PolarHBondContact NH2-O 3.17Å; L124-Q127 WeakPolarHBondContact O-CG 3.27Å; L125-Q127 PolarHBondContact O-N 3.33Å |
| 128 | E | 77.1 | Confident | 84.8 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -121.3 | 128 | 172.6 | -57.9 | -70.7 | 130.8 | 0 | 0 | 108.5 | R84 I87 F91 L125 Q130 F131 | R84-E128 IonicContact CZ-OE1 2.67Å; R84-E128 IonicContact NE-OE1 3.86Å; R84-E128 PolarHBondContact NE-OE1 3.47Å; R84-E128 IonicContact NH2-OE1 2.77Å; R84-E128 PolarHBondContact NH2-OE1 2.88Å; R84-E128 VanDerWaalsContact NH2-OE1 3.17Å; I87-E128 HydrophobicContact CB-CG 4.09Å; I87-E128 HydrophobicContact CD1-CG 4.01Å; I87-E128 HydrophobicContact CG2-CB 4.22Å; I87-E128 HydrophobicContact CG2-CG 3.62Å; F91-E128 HydrophobicContact CE1-CB 3.7Å; F91-E128 HydrophobicContact CE1-CG 4.05Å; F91-E128 HydrophobicContact CZ-CB 3.7Å; F91-E128 HydrophobicContact CZ-CG 3.84Å; L125-E128 PolarHBondContact O-N 2.9Å; E128-Q130 PolarHBondContact O-N 3.33Å; E128-F131 PolarHBondContact O-N 2.94Å |
| 129 | D | 72.7 | Confident | 84.5 | Confident | 134 Ų | 134 | 38.5 Ų | 38.5 | 72% | 0.717 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.5 | -20.5 | -169.3 | -58.5 | -48.8 | 0 | 0 | 0 | 114 | F131 S132 S133 | D129-F131 PolarHBondContact O-N 2.66Å; D129-S132 WeakPolarHBondContact CA-OG 3.44Å; D129-S132 PolarHBondContact O-OG 3.04Å; D129-S132 VanDerWaalsContact O-OG 3.1Å; D129-S133 WeakPolarHBondContact O-CB 3.47Å; D129-S133 PolarHBondContact O-N 3.48Å; D129-S133 PolarHBondContact O-OG 3.06Å |
| 130 | Q | 76.2 | Confident | 84.3 | Confident | 101 Ų | 101 | 41 Ų | 41 | 47% | 0.472 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.9 | -14.4 | 175.6 | -76.5 | -149.2 | 36.4 | 0 | 0 | 115.5 | F91 K94 E128 | F91-Q130 HydrophobicContact CD1-CB 4.43Å; F91-Q130 HydrophobicContact CE1-CB 4.1Å; F91-Q130 HydrophobicContact CZ-CB 4.38Å; K94-Q130 WeakPolarHBondContact CD-O 3.44Å; K94-Q130 PolarHBondContact NZ-O 3.22Å; E128-Q130 PolarHBondContact O-N 3.33Å |
| 131 | F | 79.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -97.7 | -44.2 | 173.1 | -98.1 | -76.7 | 0 | 0 | 0 | 111.8 | I87 F91 K94 I97 L98 L125 E128 D129 S133 I134 L135 | I87-F131 HydrophobicContact CG2-CD2 4.09Å; I87-F131 HydrophobicContact CG2-CE2 4.05Å; F91-F131 AromaticContact CD1-CD2 3.89Å; F91-F131 HydrophobicContact CD1-CD2 3.89Å; F91-F131 AromaticContact CD1-CE2 3.76Å; F91-F131 HydrophobicContact CD1-CE2 3.76Å; F91-F131 AromaticContact CE1-CD2 3.98Å; F91-F131 HydrophobicContact CE1-CD2 3.98Å; F91-F131 HydrophobicContact CE1-CE2 4.23Å; K94-F131 HydrophobicContact CB-CD1 4.01Å; K94-F131 HydrophobicContact CB-CE1 3.43Å; K94-F131 VanDerWaalsContact CB-CE1 3.43Å; K94-F131 HydrophobicContact CB-CE2 4.06Å; K94-F131 HydrophobicContact CB-CZ 3.46Å; K94-F131 VanDerWaalsContact CB-CZ 3.46Å; I97-F131 HydrophobicContact CD1-CZ 4.45Å; L98-F131 HydrophobicContact CD1-CD1 4.42Å; L125-F131 HydrophobicContact CB-CB 4.47Å; L125-F131 HydrophobicContact CB-CD1 4.08Å; L125-F131 HydrophobicContact CB-CD2 3.95Å; L125-F131 HydrophobicContact CB-CE1 4.25Å; L125-F131 HydrophobicContact CB-CE2 4.14Å; L125-F131 HydrophobicContact CB-CG 3.93Å; L125-F131 HydrophobicContact CB-CZ 4.28Å; L125-F131 HydrophobicContact CD1-CD1 4.48Å; L125-F131 HydrophobicContact CD1-CE1 3.92Å; L125-F131 HydrophobicContact CD1-CZ 3.97Å; L125-F131 HydrophobicContact CD2-CD2 4.47Å; L125-F131 HydrophobicContact CD2-CE2 3.88Å; L125-F131 HydrophobicContact CD2-CZ 4Å; L125-F131 HydrophobicContact CG-CE2 4.41Å; L125-F131 HydrophobicContact CG-CZ 4.31Å; E128-F131 PolarHBondContact O-N 2.94Å; D129-F131 PolarHBondContact O-N 2.66Å; F131-S133 PolarHBondContact O-N 3.1Å; F131-I134 PolarHBondContact O-N 2.85Å; F131-L135 PolarHBondContact O-N 3.16Å; F131-L135 VanDerWaalsContact O-N 3.12Å |
| 132 | S | 78.5 | Confident | 84.2 | Confident | 10 Ų | 10 | 38 Ų | 38 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.3 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | D129 I134 L135 C172 | D129-S132 WeakPolarHBondContact CA-OG 3.44Å; D129-S132 PolarHBondContact O-OG 3.04Å; D129-S132 VanDerWaalsContact O-OG 3.1Å; S132-I134 PolarHBondContact O-N 3.21Å; S132-L135 WeakPolarHBondContact O-CB 3.22Å; S132-L135 PolarHBondContact O-N 3.35Å; S132-C172 PolarHBondContact O-SG 2.83Å |
| 133 | S | 79.5 | Confident | 84.1 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.5 | -4.8 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 116.3 | D129 F131 F136 | D129-S133 WeakPolarHBondContact O-CB 3.47Å; D129-S133 PolarHBondContact O-N 3.48Å; D129-S133 PolarHBondContact O-OG 3.06Å; F131-S133 PolarHBondContact O-N 3.1Å; S133-F136 VanDerWaalsContact O-CE1 3.23Å; S133-F136 WeakPolarHBondContact O-CE1 3.23Å |
| 134 | I | 84.5 | Confident | 84.1 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -121.6 | -18.7 | 174.4 | -43.3 | -174 | 0 | 0 | 0 | 111.1 | K94 R95 L98 F131 S132 F136 E137 F138 | K94-I134 HydrophobicContact CD-CD1 3.95Å; K94-I134 VanDerWaalsContact CE-CD1 3.41Å; K94-I134 HydrophobicContact CG-CD1 4.32Å; R95-I134 HydrophobicContact CG-CG2 4.19Å; L98-I134 HydrophobicContact CD1-CB 4.29Å; L98-I134 HydrophobicContact CD1-CG2 4.39Å; F131-I134 PolarHBondContact O-N 2.85Å; S132-I134 PolarHBondContact O-N 3.21Å; I134-F136 PolarHBondContact O-N 2.95Å; I134-F136 VanDerWaalsContact O-N 3.12Å; I134-E137 HydrophobicContact CG2-CG 4.17Å; I134-E137 WeakPolarHBondContact CG2-OE2 3.31Å; I134-E137 WeakPolarHBondContact O-CB 3.39Å; I134-E137 PolarHBondContact O-N 3.2Å; I134-F138 HydrophobicContact CG2-CE2 4.01Å; I134-F138 WeakPolarHBondContact O-CD2 3.36Å |
| 135 | L | 84.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.9 | -34.8 | 179 | -178.6 | 67.4 | 0 | 0 | 0 | 112.9 | L98 L122 F131 S132 E137 F138 I141 L165 C168 A169 | L98-L135 HydrophobicContact CD2-CD1 4Å; L122-L135 HydrophobicContact CD2-CD1 4.47Å; F131-L135 PolarHBondContact O-N 3.16Å; F131-L135 VanDerWaalsContact O-N 3.12Å; S132-L135 WeakPolarHBondContact O-CB 3.22Å; S132-L135 PolarHBondContact O-N 3.35Å; L135-E137 VanDerWaalsContact C-N 3.26Å; L135-E137 PolarHBondContact O-N 3.18Å; L135-F138 PolarHBondContact O-N 3.47Å; L135-I141 HydrophobicContact CD1-CG2 4.07Å; L135-L165 HydrophobicContact CD1-CD1 4.32Å; L135-L165 HydrophobicContact CD2-CD1 3.55Å; L135-L165 HydrophobicContact CD2-CG 4.27Å; L135-C168 HydrophobicContact CD2-CB 4.49Å; L135-A169 HydrophobicContact CD2-CB 4.09Å |
| 136 | F | 79.7 | Confident | 84.4 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.6 | 180 | 80.6 | -94.6 | 0 | 0 | 0 | 114.6 | S133 I134 F138 C172 R175 A176 N179 | S133-F136 VanDerWaalsContact O-CE1 3.23Å; S133-F136 WeakPolarHBondContact O-CE1 3.23Å; I134-F136 PolarHBondContact O-N 2.95Å; I134-F136 VanDerWaalsContact O-N 3.12Å; F136-F138 VanDerWaalsContact C-N 3.29Å; F136-C172 HydrophobicContact CD1-CB 3.96Å; F136-C172 HydrophobicContact CE1-CB 4.43Å; F136-R175 HydrophobicContact CE2-CG 4.05Å; F136-A176 HydrophobicContact CB-CB 3.63Å; F136-A176 HydrophobicContact CD1-CB 4.09Å; F136-A176 HydrophobicContact CD2-CB 4.34Å; F136-A176 HydrophobicContact CG-CB 3.76Å; F136-N179 PolarHBondContact O-ND2 3.14Å |
| 137 | E | 84.4 | Confident | 84.6 | Confident | 96 Ų | 96 | 44.5 Ų | 44.5 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -28.4 | 170 | -60 | -170.6 | 149 | 0 | 0 | 111.4 | R95 I134 L135 R139 | R95-E137 IonicContact CZ-OE2 2.66Å; R95-E137 IonicContact NE-OE2 3.03Å; R95-E137 PolarHBondContact NE-OE2 3.14Å; R95-E137 VanDerWaalsContact NH2-CD 3.31Å; R95-E137 IonicContact NH2-OE1 3.58Å; R95-E137 PolarHBondContact NH2-OE1 2.93Å; R95-E137 VanDerWaalsContact NH2-OE1 3.08Å; R95-E137 IonicContact NH2-OE2 3.85Å; R95-E137 PolarHBondContact NH2-OE2 3.45Å; I134-E137 HydrophobicContact CG2-CG 4.17Å; I134-E137 WeakPolarHBondContact CG2-OE2 3.31Å; I134-E137 WeakPolarHBondContact O-CB 3.39Å; I134-E137 PolarHBondContact O-N 3.2Å; L135-E137 VanDerWaalsContact C-N 3.26Å; L135-E137 PolarHBondContact O-N 3.18Å; E137-R139 PolarHBondContact O-N 3.39Å |
| 138 | F | 86.6 | Confident | 85.1 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | trans | -94.3 | 82.3 | -173.2 | -65.1 | -88.5 | 0 | 0 | 0 | 111.5 | R95 L98 D99 E102 I134 L135 F136 D140 I141 | R95-F138 HydrophobicContact CG-CZ 4.31Å; L98-F138 HydrophobicContact CB-CD1 4.21Å; L98-F138 HydrophobicContact CB-CD2 3.76Å; L98-F138 HydrophobicContact CB-CE1 3.92Å; L98-F138 HydrophobicContact CB-CE2 3.44Å; L98-F138 VanDerWaalsContact CB-CE2 3.44Å; L98-F138 HydrophobicContact CB-CG 4.14Å; L98-F138 HydrophobicContact CB-CZ 3.52Å; L98-F138 HydrophobicContact CD1-CD2 3.9Å; L98-F138 HydrophobicContact CD1-CE2 3.54Å; L98-F138 HydrophobicContact CD1-CZ 4.35Å; L98-F138 HydrophobicContact CG-CD2 4.28Å; L98-F138 HydrophobicContact CG-CE2 4.07Å; D99-F138 HydrophobicContact CB-CE1 4.2Å; E102-F138 HydrophobicContact CB-CD1 3.93Å; E102-F138 HydrophobicContact CG-CB 4.48Å; E102-F138 HydrophobicContact CG-CD1 4.36Å; E102-F138 WeakPolarHBondContact OE1-CA 3.43Å; E102-F138 WeakPolarHBondContact OE1-CB 3.3Å; I134-F138 HydrophobicContact CG2-CE2 4.01Å; I134-F138 WeakPolarHBondContact O-CD2 3.36Å; L135-F138 PolarHBondContact O-N 3.47Å; F136-F138 VanDerWaalsContact C-N 3.29Å; F138-D140 VanDerWaalsContact C-N 3.32Å; F138-D140 PolarHBondContact O-N 2.89Å; F138-I141 HydrophobicContact CB-CB 4.37Å; F138-I141 HydrophobicContact CB-CD1 3.69Å; F138-I141 HydrophobicContact CB-CG1 3.94Å; F138-I141 HydrophobicContact CG-CD1 4.21Å; F138-I141 PolarHBondContact O-N 3.27Å | ||
| 139 | R | 86.8 | Confident | 85.8 | Confident | 118 Ų | 118 | 40.4 Ų | 40.4 | 45% | 0.445 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.2 | -34.9 | -172 | -166 | 178.7 | -174.9 | 179.7 | 0.4 | 113 | E102 E137 I141 I142 S143 Q182 L183 | E102-R139 PolarHBondContact OE1-N 3.49Å; E137-R139 PolarHBondContact O-N 3.39Å; R139-I141 VanDerWaalsContact C-N 3.27Å; R139-I141 PolarHBondContact O-N 3.47Å; R139-I142 PolarHBondContact O-N 3.45Å; R139-S143 PolarHBondContact O-N 2.84Å; R139-Q182 PolarHBondContact NH2-O 3.35Å; R139-L183 HydrophobicContact CG-CD1 4Å; R139-L183 HydrophobicContact CG-CD2 4.14Å; R139-L183 HydrophobicContact CG-CG 4.39Å |
| 140 | D | 88.2 | Confident | 86.5 | Confident | 53 Ų | 53 | 35.6 Ų | 35.6 | 28% | 0.283 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -73.1 | -24.5 | -177.2 | -48.5 | -51 | 0 | 0 | 0 | 111.6 | E102 R106 F138 C144 | E102-D140 HydrophobicContact CG-CB 3.62Å; E102-D140 PolarHBondContact OE1-N 3.35Å; E102-D140 VanDerWaalsContact OE1-N 3.14Å; R106-D140 WeakPolarHBondContact CD-OD2 3.4Å; R106-D140 HydrophobicContact CG-CB 3.98Å; R106-D140 WeakPolarHBondContact CG-OD2 3.38Å; R106-D140 IonicContact CZ-OD2 2.79Å; R106-D140 IonicContact NE-OD2 3.45Å; R106-D140 PolarHBondContact NE-OD2 2.89Å; R106-D140 IonicContact NH2-OD2 3.02Å; F138-D140 VanDerWaalsContact C-N 3.32Å; F138-D140 PolarHBondContact O-N 2.89Å; D140-C144 WeakPolarHBondContact O-CB 3.42Å; D140-C144 PolarHBondContact O-N 3.05Å |
| 141 | I | 90.6 | Very high | 87 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -45 | 172.7 | -59.1 | -177.2 | 0 | 0 | 0 | 110.6 | L98 I101 E102 F105 L122 L135 F138 R139 A145 L165 | L98-I141 HydrophobicContact CD2-CD1 4.18Å; I101-I141 HydrophobicContact CB-CD1 4.36Å; I101-I141 HydrophobicContact CG2-CD1 4.22Å; E102-I141 HydrophobicContact CB-CD1 4.11Å; E102-I141 HydrophobicContact CB-CG1 3.84Å; E102-I141 HydrophobicContact CG-CG1 4.1Å; F105-I141 HydrophobicContact CD2-CB 4.35Å; F105-I141 HydrophobicContact CD2-CG1 4.21Å; F105-I141 HydrophobicContact CD2-CG2 4.21Å; F105-I141 HydrophobicContact CE2-CG2 4.27Å; L122-I141 HydrophobicContact CD1-CG2 3.59Å; L135-I141 HydrophobicContact CD1-CG2 4.07Å; F138-I141 HydrophobicContact CB-CB 4.37Å; F138-I141 HydrophobicContact CB-CD1 3.69Å; F138-I141 HydrophobicContact CB-CG1 3.94Å; F138-I141 HydrophobicContact CG-CD1 4.21Å; F138-I141 PolarHBondContact O-N 3.27Å; R139-I141 VanDerWaalsContact C-N 3.27Å; R139-I141 PolarHBondContact O-N 3.47Å; I141-A145 WeakPolarHBondContact O-CB 3.48Å; I141-A145 PolarHBondContact O-N 3.11Å; I141-L165 HydrophobicContact CG2-CD2 4.26Å |
| 142 | I | 89.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.4 | -41.3 | 178 | -59.8 | -178.2 | 0 | 0 | 0 | 110.5 | R139 A145 L146 L166 A169 L180 L183 | R139-I142 PolarHBondContact O-N 3.45Å; I142-A145 PolarHBondContact O-N 3.37Å; I142-L146 HydrophobicContact CG2-CD1 4.02Å; I142-L146 HydrophobicContact CG2-CG 4.48Å; I142-L146 WeakPolarHBondContact O-CG 3.35Å; I142-L146 PolarHBondContact O-N 2.91Å; I142-L166 HydrophobicContact CG2-CD2 4.05Å; I142-A169 HydrophobicContact CD1-CB 3.96Å; I142-L180 HydrophobicContact CG2-CD2 3.44Å; I142-L180 VanDerWaalsContact CG2-CD2 3.44Å; I142-L180 HydrophobicContact CG2-CG 4.31Å; I142-L183 HydrophobicContact CB-CD1 3.82Å; I142-L183 HydrophobicContact CG2-CD1 3.53Å |
| 143 | S | 90 | Very high | 87.6 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 112.4 | R139 L146 R147 | R139-S143 PolarHBondContact O-N 2.84Å; S143-L146 PolarHBondContact O-N 2.85Å; S143-R147 WeakPolarHBondContact O-CB 3.43Å; S143-R147 PolarHBondContact O-N 3.29Å |
| 144 | C | 90.5 | Very high | 88 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 176.1 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | F105 D140 R147 W148 | F105-C144 HydrophobicContact CB-CB 3.82Å; F105-C144 HydrophobicContact CD2-CB 3.95Å; F105-C144 HydrophobicContact CG-CB 3.93Å; D140-C144 WeakPolarHBondContact O-CB 3.42Å; D140-C144 PolarHBondContact O-N 3.05Å; C144-R147 PolarHBondContact O-N 3.42Å; C144-W148 VanDerWaalsContact O-CD1 3.3Å; C144-W148 PolarHBondContact O-N 2.98Å; C144-W148 VanDerWaalsContact O-N 3.11Å |
| 145 | A | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I141 I142 W148 V149 F162 L165 L166 | I141-A145 WeakPolarHBondContact O-CB 3.48Å; I141-A145 PolarHBondContact O-N 3.11Å; I142-A145 PolarHBondContact O-N 3.37Å; A145-W148 PolarHBondContact O-N 3.38Å; A145-V149 WeakPolarHBondContact O-CG2 3.24Å; A145-V149 PolarHBondContact O-N 2.9Å; A145-F162 HydrophobicContact CB-CD1 4.24Å; A145-L165 HydrophobicContact CB-CD2 4.28Å; A145-L166 HydrophobicContact CB-CD2 4.14Å |
| 146 | L | 91.6 | Very high | 88.3 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 175 | -72.9 | 166.9 | 0 | 0 | 0 | 112 | I142 S143 W148 V149 G150 L166 L183 | I142-L146 HydrophobicContact CG2-CD1 4.02Å; I142-L146 HydrophobicContact CG2-CG 4.48Å; I142-L146 WeakPolarHBondContact O-CG 3.35Å; I142-L146 PolarHBondContact O-N 2.91Å; S143-L146 PolarHBondContact O-N 2.85Å; L146-W148 PolarHBondContact O-N 2.96Å; L146-V149 PolarHBondContact O-N 3.27Å; L146-V149 VanDerWaalsContact O-N 3.08Å; L146-G150 PolarHBondContact O-N 3Å; L146-L166 HydrophobicContact CD2-CD1 3.69Å; L146-L166 HydrophobicContact CD2-CD2 4.1Å; L146-L166 HydrophobicContact CG-CD1 4.4Å; L146-L166 HydrophobicContact CG-CD2 4.06Å; L146-L183 HydrophobicContact CD1-CB 3.59Å; L146-L183 HydrophobicContact CD1-CD1 4.25Å |
| 147 | R | 91.2 | Very high | 88.7 | Confident | 118 Ų | 118 | 50 Ų | 50 | 45% | 0.445 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.2 | -36.9 | 175.5 | -165.8 | -170.1 | -52.2 | 146.4 | 11.3 | 112.4 | P108 S143 C144 | P108-R147 PolarHBondContact O-NH1 3.12Å; S143-R147 WeakPolarHBondContact O-CB 3.43Å; S143-R147 PolarHBondContact O-N 3.29Å; C144-R147 PolarHBondContact O-N 3.42Å |
| 148 | W | 92 | Very high | 89 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -77.9 | -30.6 | 175.5 | -83.8 | 111.6 | 0 | 0 | 0 | 113.8 | V110 K112 C144 A145 L146 G150 S151 D153 L154 F162 | V110-W148 WeakPolarHBondContact O-CZ2 3.49Å; K112-W148 HydrophobicContact CB-CH2 3.58Å; K112-W148 HydrophobicContact CB-CZ2 4.18Å; K112-W148 HydrophobicContact CB-CZ3 3.92Å; K112-W148 HydrophobicContact CG-CH2 4.28Å; K112-W148 HydrophobicContact CG-CZ3 4.12Å; C144-W148 VanDerWaalsContact O-CD1 3.3Å; C144-W148 PolarHBondContact O-N 2.98Å; C144-W148 VanDerWaalsContact O-N 3.11Å; A145-W148 PolarHBondContact O-N 3.38Å; L146-W148 PolarHBondContact O-N 2.96Å; W148-G150 VanDerWaalsContact C-N 3.29Å; W148-S151 PolarHBondContact O-N 3.11Å; W148-D153 HydrophobicContact CZ3-CB 4.09Å; W148-L154 HydrophobicContact CB-CD1 4.29Å; W148-L154 HydrophobicContact CE3-CD2 3.75Å; W148-L154 HydrophobicContact CE3-CG 4.17Å; W148-L154 HydrophobicContact CZ3-CD2 4.26Å; W148-L154 WeakPolarHBondContact O-CD1 3.32Å; W148-F162 HydrophobicContact CB-CD1 3.67Å; W148-F162 HydrophobicContact CB-CE1 3.31Å; W148-F162 HydrophobicContact CB-CE2 4.38Å; W148-F162 HydrophobicContact CB-CG 4.34Å; W148-F162 HydrophobicContact CB-CZ 3.73Å; W148-F162 AromaticContact CD1-CE1 3.76Å; W148-F162 HydrophobicContact CD2-CZ 4.43Å; W148-F162 HydrophobicContact CG-CD1 4.45Å; W148-F162 AromaticContact CG-CE1 3.63Å; W148-F162 HydrophobicContact CG-CE1 3.63Å; W148-F162 AromaticContact CG-CZ 3.78Å; W148-F162 HydrophobicContact CG-CZ 3.78Å |
| 149 | V | 92 | Very high | 89.3 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -31.5 | 171.1 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | A145 L146 S151 L159 F162 L163 L166 V188 L189 | A145-V149 WeakPolarHBondContact O-CG2 3.24Å; A145-V149 PolarHBondContact O-N 2.9Å; L146-V149 PolarHBondContact O-N 3.27Å; L146-V149 VanDerWaalsContact O-N 3.08Å; V149-S151 VanDerWaalsContact C-N 3.32Å; V149-L159 HydrophobicContact CB-CD1 4.2Å; V149-L159 HydrophobicContact CG1-CD1 4.22Å; V149-L159 HydrophobicContact CG2-CD1 3.9Å; V149-F162 HydrophobicContact CG2-CB 3.76Å; V149-L163 HydrophobicContact CG1-CD2 3.9Å; V149-L163 HydrophobicContact CG2-CD2 3.98Å; V149-L163 HydrophobicContact CG2-CG 4.41Å; V149-L166 HydrophobicContact CG2-CD1 3.97Å; V149-V188 HydrophobicContact CG1-CG1 4.37Å; V149-L189 HydrophobicContact CG1-CD2 4.09Å |
| 150 | G | 87.7 | Confident | 89.6 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 34% | 0.34 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 10.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L146 W148 | L146-G150 PolarHBondContact O-N 3Å; W148-G150 VanDerWaalsContact C-N 3.29Å |
| 151 | S | 87.7 | Confident | 89.8 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | trans | -106.7 | 129.5 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | W148 V149 D153 | W148-S151 PolarHBondContact O-N 3.11Å; V149-S151 VanDerWaalsContact C-N 3.32Å; S151-D153 PolarHBondContact O-N 2.91Å; S151-D153 VanDerWaalsContact OG-CB 3.28Å; S151-D153 WeakPolarHBondContact OG-CB 3.44Å; S151-D153 VanDerWaalsContact OG-CG 3.3Å; S151-D153 PolarHBondContact OG-N 3.27Å; S151-D153 PolarHBondContact OG-OD2 3.06Å | ||
| 152 | D | 84.5 | Confident | 90 | Very high | 122 Ų | 122 | 41.4 Ų | 41.4 | 65% | 0.652 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -5 | 171.3 | -68.4 | -54.4 | 0 | 0 | 0 | 113.4 | L154 K195 | D152-L154 VanDerWaalsContact C-N 3.28Å; D152-L154 PolarHBondContact O-N 3.14Å; D152-K195 VanDerWaalsContact OD1-CD 3.31Å; D152-K195 WeakPolarHBondContact OD1-CD 3.42Å; D152-K195 WeakPolarHBondContact OD1-CE 3.44Å; D152-K195 IonicContact OD1-NZ 3.91Å; D152-K195 PolarHBondContact OD1-NZ 2.82Å; D152-K195 IonicContact OD2-NZ 2.69Å; D152-K195 PolarHBondContact OD2-NZ 3.01Å |
| 153 | D | 85.8 | Confident | 90.2 | Very high | 106 Ų | 106 | 41.1 Ų | 41.1 | 57% | 0.567 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.2 | 176.8 | -70.9 | -51.3 | 0 | 0 | 0 | 113.8 | K112 W148 S151 | K112-D153 HydrophobicContact CD-CB 4.42Å; K112-D153 WeakPolarHBondContact CE-O 3.23Å; K112-D153 PolarHBondContact NZ-O 3.41Å; W148-D153 HydrophobicContact CZ3-CB 4.09Å; S151-D153 PolarHBondContact O-N 2.91Å; S151-D153 VanDerWaalsContact OG-CB 3.28Å; S151-D153 WeakPolarHBondContact OG-CB 3.44Å; S151-D153 VanDerWaalsContact OG-CG 3.3Å; S151-D153 PolarHBondContact OG-N 3.27Å; S151-D153 PolarHBondContact OG-OD2 3.06Å |
| 154 | L | 88.5 | Confident | 90.3 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 12% | 0.12 | 22% | 0.221 | C | C | . | . | trans | -81.2 | 135.9 | -171.4 | -66.6 | -167.3 | 0 | 0 | 0 | 113.4 | K112 W148 D152 E158 L159 F162 | K112-L154 HydrophobicContact CD-CD2 4.18Å; K112-L154 HydrophobicContact CG-CD2 4Å; W148-L154 HydrophobicContact CB-CD1 4.29Å; W148-L154 HydrophobicContact CE3-CD2 3.75Å; W148-L154 HydrophobicContact CE3-CG 4.17Å; W148-L154 HydrophobicContact CZ3-CD2 4.26Å; W148-L154 WeakPolarHBondContact O-CD1 3.32Å; D152-L154 VanDerWaalsContact C-N 3.28Å; D152-L154 PolarHBondContact O-N 3.14Å; L154-E158 HydrophobicContact CD2-CB 4.3Å; L154-L159 HydrophobicContact CB-CB 4.16Å; L154-L159 HydrophobicContact CD1-CB 4.13Å; L154-L159 HydrophobicContact CD1-CD1 4.06Å; L154-F162 HydrophobicContact CD1-CD2 3.49Å; L154-F162 VanDerWaalsContact CD1-CD2 3.49Å; L154-F162 HydrophobicContact CD1-CE2 3.7Å; L154-F162 HydrophobicContact CD1-CG 4.15Å; L154-F162 HydrophobicContact CD1-CZ 4.5Å; L154-F162 HydrophobicContact CD2-CE2 4.07Å | ||
| 155 | R | 88.7 | Confident | 90.4 | Very high | 127 Ų | 127 | 44.8 Ų | 44.8 | 48% | 0.479 | 22% | 0.221 | S | C | . | . | trans | -75.3 | 153.9 | 165.4 | -56.2 | -180 | -60.5 | 109.5 | 10.9 | 109 | D157 E158 L159 | R155-D157 VanDerWaalsContact C-N 3.29Å; R155-D157 WeakPolarHBondContact CB-OD1 3.37Å; R155-D157 IonicContact CZ-OD1 2.74Å; R155-D157 VanDerWaalsContact CZ-OD1 3.23Å; R155-D157 IonicContact CZ-OD2 2.71Å; R155-D157 IonicContact NE-OD1 3.2Å; R155-D157 IonicContact NH1-OD1 2.86Å; R155-D157 PolarHBondContact NH1-OD1 3Å; R155-D157 IonicContact NH1-OD2 2.71Å; R155-D157 PolarHBondContact NH1-OD2 3.34Å; R155-D157 IonicContact NH2-OD1 2.72Å; R155-D157 IonicContact NH2-OD2 3.08Å; R155-D157 PolarHBondContact NH2-OD2 3.13Å; R155-D157 PolarHBondContact O-N 3.26Å; R155-E158 HydrophobicContact CB-CG 4.36Å; R155-E158 VanDerWaalsContact CB-OE2 3.31Å; R155-E158 WeakPolarHBondContact CB-OE2 3.36Å; R155-E158 WeakPolarHBondContact CG-OE2 3.43Å; R155-E158 IonicContact CZ-OE1 2.95Å; R155-E158 VanDerWaalsContact CZ-OE1 3.23Å; R155-E158 PolarHBondContact N-OE2 3.09Å; R155-E158 VanDerWaalsContact NE-CD 3.32Å; R155-E158 IonicContact NE-OE1 2.62Å; R155-E158 PolarHBondContact NE-OE1 3.4Å; R155-E158 IonicContact NE-OE2 2.7Å; R155-E158 VanDerWaalsContact NH2-CD 3.28Å; R155-E158 IonicContact NH2-OE1 3.41Å; R155-E158 PolarHBondContact NH2-OE1 3.2Å; R155-E158 WeakPolarHBondContact O-CA 3.06Å; R155-E158 WeakPolarHBondContact O-CB 3.43Å; R155-E158 PolarHBondContact O-N 3.5Å; R155-L159 PolarHBondContact O-N 3.1Å | ||
| 156 | S | 86.2 | Confident | 90.4 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.4 | -38.6 | -177 | -178.2 | 0 | 0 | 0 | 0 | 113.4 | E158 L159 S160 D197 C200 | S156-E158 PolarHBondContact O-N 3.12Å; S156-L159 PolarHBondContact O-N 3.13Å; S156-S160 WeakPolarHBondContact O-CB 3.4Å; S156-S160 PolarHBondContact O-N 3.31Å; S156-D197 WeakPolarHBondContact CB-OD2 3.47Å; S156-D197 PolarHBondContact OG-OD1 2.75Å; S156-D197 PolarHBondContact OG-OD2 2.95Å; S156-C200 PolarHBondContact OG-SG 3.37Å; S156-C200 VanDerWaalsContact OG-SG 3.36Å |
| 157 | D | 87.9 | Confident | 90.4 | Very high | 76 Ų | 76 | 48.6 Ų | 48.6 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.5 | -25.8 | 175.4 | 60.9 | -53.2 | 0 | 0 | 0 | 113.1 | R155 F161 | R155-D157 VanDerWaalsContact C-N 3.29Å; R155-D157 WeakPolarHBondContact CB-OD1 3.37Å; R155-D157 IonicContact CZ-OD1 2.74Å; R155-D157 VanDerWaalsContact CZ-OD1 3.23Å; R155-D157 IonicContact CZ-OD2 2.71Å; R155-D157 IonicContact NE-OD1 3.2Å; R155-D157 IonicContact NH1-OD1 2.86Å; R155-D157 PolarHBondContact NH1-OD1 3Å; R155-D157 IonicContact NH1-OD2 2.71Å; R155-D157 PolarHBondContact NH1-OD2 3.34Å; R155-D157 IonicContact NH2-OD1 2.72Å; R155-D157 IonicContact NH2-OD2 3.08Å; R155-D157 PolarHBondContact NH2-OD2 3.13Å; R155-D157 PolarHBondContact O-N 3.26Å; D157-F161 WeakPolarHBondContact O-CD2 3.38Å |
| 158 | E | 91.6 | Very high | 90.3 | Very high | 17 Ų | 17 | 44 Ų | 44 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -82.6 | -51.3 | 175.1 | -62.3 | 159 | 163.3 | 0 | 0 | 110.5 | K112 F116 L154 R155 S156 S160 F161 F162 | K112-E158 VanDerWaalsContact CE-CD 3.43Å; K112-E158 WeakPolarHBondContact CE-OE2 3.44Å; K112-E158 IonicContact NZ-OE1 3.27Å; K112-E158 IonicContact NZ-OE2 2.86Å; K112-E158 PolarHBondContact NZ-OE2 3.34Å; F116-E158 HydrophobicContact CD2-CB 3.97Å; F116-E158 HydrophobicContact CD2-CG 4.03Å; F116-E158 HydrophobicContact CE2-CB 4.13Å; F116-E158 HydrophobicContact CE2-CG 4.07Å; F116-E158 HydrophobicContact CG-CG 4.3Å; F116-E158 HydrophobicContact CZ-CG 4.35Å; L154-E158 HydrophobicContact CD2-CB 4.3Å; R155-E158 HydrophobicContact CB-CG 4.36Å; R155-E158 VanDerWaalsContact CB-OE2 3.31Å; R155-E158 WeakPolarHBondContact CB-OE2 3.36Å; R155-E158 WeakPolarHBondContact CG-OE2 3.43Å; R155-E158 IonicContact CZ-OE1 2.95Å; R155-E158 VanDerWaalsContact CZ-OE1 3.23Å; R155-E158 PolarHBondContact N-OE2 3.09Å; R155-E158 VanDerWaalsContact NE-CD 3.32Å; R155-E158 IonicContact NE-OE1 2.62Å; R155-E158 PolarHBondContact NE-OE1 3.4Å; R155-E158 IonicContact NE-OE2 2.7Å; R155-E158 VanDerWaalsContact NH2-CD 3.28Å; R155-E158 IonicContact NH2-OE1 3.41Å; R155-E158 PolarHBondContact NH2-OE1 3.2Å; R155-E158 WeakPolarHBondContact O-CA 3.06Å; R155-E158 WeakPolarHBondContact O-CB 3.43Å; R155-E158 PolarHBondContact O-N 3.5Å; S156-E158 PolarHBondContact O-N 3.12Å; E158-S160 PolarHBondContact O-N 3.04Å; E158-F161 WeakPolarHBondContact O-CB 3.1Å; E158-F161 PolarHBondContact O-N 2.9Å; E158-F162 WeakPolarHBondContact O-CD2 3.42Å; E158-F162 PolarHBondContact O-N 3.42Å |
| 159 | L | 93 | Very high | 90 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.7 | -37.7 | 176.9 | 180 | 60.7 | 0 | 0 | 0 | 112.1 | V149 L154 R155 S156 F161 F162 L163 Q196 C200 | V149-L159 HydrophobicContact CB-CD1 4.2Å; V149-L159 HydrophobicContact CG1-CD1 4.22Å; V149-L159 HydrophobicContact CG2-CD1 3.9Å; L154-L159 HydrophobicContact CB-CB 4.16Å; L154-L159 HydrophobicContact CD1-CB 4.13Å; L154-L159 HydrophobicContact CD1-CD1 4.06Å; R155-L159 PolarHBondContact O-N 3.1Å; S156-L159 PolarHBondContact O-N 3.13Å; L159-F161 PolarHBondContact O-N 3.4Å; L159-F162 PolarHBondContact O-N 3.1Å; L159-F162 VanDerWaalsContact O-N 3.1Å; L159-L163 HydrophobicContact CD1-CD1 4.26Å; L159-L163 HydrophobicContact CD1-CG 4.11Å; L159-L163 HydrophobicContact CG-CD1 3.93Å; L159-L163 HydrophobicContact CG-CG 4.26Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 2.95Å; L159-Q196 HydrophobicContact CD2-CG 3.83Å; L159-C200 HydrophobicContact CD2-CB 4.15Å; L159-C200 HydrophobicContact CG-CB 4.47Å |
| 160 | S | 92 | Very high | 89.8 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.8 | -35.4 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 113.5 | S156 E158 R164 E199 K203 | S156-S160 WeakPolarHBondContact O-CB 3.4Å; S156-S160 PolarHBondContact O-N 3.31Å; E158-S160 PolarHBondContact O-N 3.04Å; S160-R164 VanDerWaalsContact O-CB 3.29Å; S160-R164 WeakPolarHBondContact O-CB 3.35Å; S160-R164 PolarHBondContact O-N 2.94Å; S160-E199 PolarHBondContact OG-OE1 2.75Å; S160-K203 VanDerWaalsContact O-CD 3.31Å; S160-K203 WeakPolarHBondContact O-CD 3.34Å; S160-K203 WeakPolarHBondContact O-CE 3.43Å; S160-K203 VanDerWaalsContact OG-CE 3.31Å; S160-K203 WeakPolarHBondContact OG-CE 3.46Å; S160-K203 PolarHBondContact OG-NZ 3.04Å |
| 161 | F | 92.9 | Very high | 89.7 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.9 | -41.7 | 174.6 | -89 | -92.8 | 0 | 0 | 0 | 112.7 | F116 V119 R120 V123 D157 E158 L159 R164 L165 | F116-F161 HydrophobicContact CD2-CB 4.49Å; F116-F161 HydrophobicContact CE2-CB 4Å; F116-F161 AromaticContact CE2-CD2 3.82Å; F116-F161 HydrophobicContact CE2-CD2 3.82Å; F116-F161 HydrophobicContact CE2-CG 4.01Å; F116-F161 HydrophobicContact CZ-CD2 4.24Å; V119-F161 HydrophobicContact CG1-CB 4.2Å; R120-F161 HydrophobicContact CB-CD1 4.25Å; R120-F161 HydrophobicContact CB-CE1 4.27Å; R120-F161 HydrophobicContact CG-CD1 4.39Å; R120-F161 HydrophobicContact CG-CE1 3.9Å; R120-F161 HydrophobicContact CG-CZ 4.33Å; V123-F161 HydrophobicContact CB-CD1 3.92Å; V123-F161 HydrophobicContact CB-CE1 4.34Å; V123-F161 HydrophobicContact CG1-CD1 3.8Å; V123-F161 HydrophobicContact CG1-CE1 3.97Å; V123-F161 HydrophobicContact CG2-CD1 4.17Å; V123-F161 WeakPolarHBondContact CG2-O 3.21Å; D157-F161 WeakPolarHBondContact O-CD2 3.38Å; E158-F161 WeakPolarHBondContact O-CB 3.1Å; E158-F161 PolarHBondContact O-N 2.9Å; L159-F161 PolarHBondContact O-N 3.4Å; F161-R164 PolarHBondContact O-N 2.98Å; F161-L165 PolarHBondContact O-N 3.19Å |
| 162 | F | 94.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 177.1 | -74.9 | -92.2 | 0 | 0 | 0 | 111.6 | A115 F116 V119 A145 W148 V149 L154 E158 L159 R164 L165 L166 | A115-F162 HydrophobicContact CB-CZ 4.16Å; F116-F162 HydrophobicContact CB-CE2 4.44Å; F116-F162 HydrophobicContact CD2-CE2 4.4Å; V119-F162 HydrophobicContact CB-CD1 4.47Å; V119-F162 HydrophobicContact CB-CE1 4.31Å; V119-F162 HydrophobicContact CB-CZ 4.46Å; V119-F162 HydrophobicContact CG1-CD1 4.2Å; V119-F162 HydrophobicContact CG1-CD2 4.49Å; V119-F162 HydrophobicContact CG1-CG 4.19Å; V119-F162 HydrophobicContact CG2-CD1 3.86Å; V119-F162 HydrophobicContact CG2-CE1 3.56Å; V119-F162 HydrophobicContact CG2-CZ 4.09Å; A145-F162 HydrophobicContact CB-CD1 4.24Å; W148-F162 HydrophobicContact CB-CD1 3.67Å; W148-F162 HydrophobicContact CB-CE1 3.31Å; W148-F162 HydrophobicContact CB-CE2 4.38Å; W148-F162 HydrophobicContact CB-CG 4.34Å; W148-F162 HydrophobicContact CB-CZ 3.73Å; W148-F162 AromaticContact CD1-CE1 3.76Å; W148-F162 HydrophobicContact CD2-CZ 4.43Å; W148-F162 HydrophobicContact CG-CD1 4.45Å; W148-F162 AromaticContact CG-CE1 3.63Å; W148-F162 HydrophobicContact CG-CE1 3.63Å; W148-F162 AromaticContact CG-CZ 3.78Å; W148-F162 HydrophobicContact CG-CZ 3.78Å; V149-F162 HydrophobicContact CG2-CB 3.76Å; L154-F162 HydrophobicContact CD1-CD2 3.49Å; L154-F162 VanDerWaalsContact CD1-CD2 3.49Å; L154-F162 HydrophobicContact CD1-CE2 3.7Å; L154-F162 HydrophobicContact CD1-CG 4.15Å; L154-F162 HydrophobicContact CD1-CZ 4.5Å; L154-F162 HydrophobicContact CD2-CE2 4.07Å; E158-F162 WeakPolarHBondContact O-CD2 3.42Å; E158-F162 PolarHBondContact O-N 3.42Å; L159-F162 PolarHBondContact O-N 3.1Å; L159-F162 VanDerWaalsContact O-N 3.1Å; F162-R164 VanDerWaalsContact C-N 3.27Å; F162-R164 PolarHBondContact O-N 3.12Å; F162-L165 WeakPolarHBondContact O-CB 3.49Å; F162-L165 PolarHBondContact O-N 3.38Å; F162-L165 VanDerWaalsContact O-N 3.12Å; F162-L166 PolarHBondContact O-N 3.1Å; F162-L166 VanDerWaalsContact O-N 3.1Å |
| 163 | L | 94.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -34.5 | 174.8 | -65.5 | 172.6 | 0 | 0 | 0 | 112.2 | V149 L159 L166 R167 L189 C200 K203 | V149-L163 HydrophobicContact CG1-CD2 3.9Å; V149-L163 HydrophobicContact CG2-CD2 3.98Å; V149-L163 HydrophobicContact CG2-CG 4.41Å; L159-L163 HydrophobicContact CD1-CD1 4.26Å; L159-L163 HydrophobicContact CD1-CG 4.11Å; L159-L163 HydrophobicContact CG-CD1 3.93Å; L159-L163 HydrophobicContact CG-CG 4.26Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 2.95Å; L163-L166 PolarHBondContact O-N 2.94Å; L163-R167 PolarHBondContact O-N 3.22Å; L163-L189 HydrophobicContact CD2-CD2 3.46Å; L163-L189 VanDerWaalsContact CD2-CD2 3.46Å; L163-C200 HydrophobicContact CD1-CB 3.69Å; L163-C200 WeakPolarHBondContact CD1-O 3.45Å; L163-K203 HydrophobicContact CB-CB 3.74Å; L163-K203 HydrophobicContact CB-CD 4.06Å; L163-K203 HydrophobicContact CD1-CB 4.33Å |
| 164 | R | 92.6 | Very high | 88.6 | Confident | 113 Ų | 113 | 40.7 Ų | 40.7 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.9 | -33.2 | 175 | -169.2 | 168.3 | 179.9 | 164.4 | 2.2 | 112.6 | V123 S160 F161 F162 R167 C168 K203 | V123-R164 HydrophobicContact CG1-CB 4.34Å; V123-R164 HydrophobicContact CG1-CG 3.88Å; V123-R164 HydrophobicContact CG2-CB 4.41Å; S160-R164 VanDerWaalsContact O-CB 3.29Å; S160-R164 WeakPolarHBondContact O-CB 3.35Å; S160-R164 PolarHBondContact O-N 2.94Å; F161-R164 PolarHBondContact O-N 2.98Å; F162-R164 VanDerWaalsContact C-N 3.27Å; F162-R164 PolarHBondContact O-N 3.12Å; R164-R167 PolarHBondContact O-N 3.35Å; R164-C168 PolarHBondContact O-N 3.24Å; R164-C168 PolarHBondContact O-SG 3.33Å; R164-C168 VanDerWaalsContact O-SG 3.34Å; R164-K203 HydrophobicContact CB-CD 4.15Å |
| 165 | L | 92.1 | Very high | 88.3 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 172.8 | -174.9 | 62.5 | 0 | 0 | 0 | 111.4 | V119 L122 V123 L135 I141 A145 F161 F162 R167 C168 A169 | V119-L165 HydrophobicContact CB-CD2 4.42Å; V119-L165 HydrophobicContact CG1-CB 4.17Å; V119-L165 HydrophobicContact CG1-CD2 4.05Å; V119-L165 HydrophobicContact CG2-CD2 3.92Å; L122-L165 HydrophobicContact CB-CD1 3.62Å; L122-L165 HydrophobicContact CB-CD2 4.36Å; L122-L165 HydrophobicContact CD1-CD1 4.25Å; L122-L165 HydrophobicContact CD1-CD2 3.78Å; V123-L165 HydrophobicContact CG2-CB 3.77Å; V123-L165 HydrophobicContact CG2-CD1 4.24Å; L135-L165 HydrophobicContact CD1-CD1 4.32Å; L135-L165 HydrophobicContact CD2-CD1 3.55Å; L135-L165 HydrophobicContact CD2-CG 4.27Å; I141-L165 HydrophobicContact CG2-CD2 4.26Å; A145-L165 HydrophobicContact CB-CD2 4.28Å; F161-L165 PolarHBondContact O-N 3.19Å; F162-L165 WeakPolarHBondContact O-CB 3.49Å; F162-L165 PolarHBondContact O-N 3.38Å; F162-L165 VanDerWaalsContact O-N 3.12Å; L165-R167 VanDerWaalsContact C-N 3.28Å; L165-R167 PolarHBondContact O-N 3.25Å; L165-C168 WeakPolarHBondContact O-CB 3.23Å; L165-C168 PolarHBondContact O-N 2.97Å; L165-C168 VanDerWaalsContact O-N 3.12Å; L165-A169 PolarHBondContact O-N 3.21Å |
| 166 | L | 92.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -38.3 | 174.3 | -63.4 | 176 | 0 | 0 | 0 | 111.4 | I142 A145 L146 V149 F162 L163 C168 A169 A170 L180 L189 V207 | I142-L166 HydrophobicContact CG2-CD2 4.05Å; A145-L166 HydrophobicContact CB-CD2 4.14Å; L146-L166 HydrophobicContact CD2-CD1 3.69Å; L146-L166 HydrophobicContact CD2-CD2 4.1Å; L146-L166 HydrophobicContact CG-CD1 4.4Å; L146-L166 HydrophobicContact CG-CD2 4.06Å; V149-L166 HydrophobicContact CG2-CD1 3.97Å; F162-L166 PolarHBondContact O-N 3.1Å; F162-L166 VanDerWaalsContact O-N 3.1Å; L163-L166 PolarHBondContact O-N 2.94Å; L166-C168 PolarHBondContact O-N 2.96Å; L166-A169 PolarHBondContact O-N 3.06Å; L166-A170 WeakPolarHBondContact O-CB 3.44Å; L166-A170 PolarHBondContact O-N 3.35Å; L166-L180 HydrophobicContact CD2-CD2 3.92Å; L166-L189 HydrophobicContact CD1-CD2 4.26Å; L166-V207 HydrophobicContact CB-CG2 4.18Å |
| 167 | R | 90.8 | Very high | 87.8 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 173.3 | -153.5 | -169.8 | 86.1 | 162.6 | 14.9 | 112.8 | L163 R164 L165 H171 E206 V207 L210 | L163-R167 PolarHBondContact O-N 3.22Å; R164-R167 PolarHBondContact O-N 3.35Å; L165-R167 VanDerWaalsContact C-N 3.28Å; L165-R167 PolarHBondContact O-N 3.25Å; R167-H171 PolarHBondContact O-N 3.37Å; R167-H171 VanDerWaalsContact O-N 3.13Å; R167-E206 WeakPolarHBondContact CD-OE2 3.38Å; R167-E206 HydrophobicContact CG-CB 4.3Å; R167-E206 IonicContact CZ-OE2 3.13Å; R167-E206 IonicContact NE-OE2 3.73Å; R167-E206 IonicContact NH1-OE1 2.66Å; R167-E206 PolarHBondContact NH1-OE1 2.76Å; R167-E206 IonicContact NH1-OE2 2.78Å; R167-E206 PolarHBondContact NH1-OE2 2.75Å; R167-V207 HydrophobicContact CB-CG2 3.91Å; R167-V207 HydrophobicContact CG-CG2 4.23Å; R167-L210 HydrophobicContact CG-CD1 3.81Å |
| 168 | C | 88.8 | Confident | 87.6 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 14% | 0.142 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -38.2 | 173.9 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | C126 L135 R164 L165 L166 C172 | C126-C168 HydrophobicContact CB-CB 3.85Å; L135-C168 HydrophobicContact CD2-CB 4.49Å; R164-C168 PolarHBondContact O-N 3.24Å; R164-C168 PolarHBondContact O-SG 3.33Å; R164-C168 VanDerWaalsContact O-SG 3.34Å; L165-C168 WeakPolarHBondContact O-CB 3.23Å; L165-C168 PolarHBondContact O-N 2.97Å; L165-C168 VanDerWaalsContact O-N 3.12Å; L166-C168 PolarHBondContact O-N 2.96Å; C168-C172 PolarHBondContact O-SG 2.69Å; C168-C172 VanDerWaalsContact O-SG 3.39Å |
| 169 | A | 86.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -50.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L135 I142 L165 L166 H171 C172 A176 L180 | L135-A169 HydrophobicContact CD2-CB 4.09Å; I142-A169 HydrophobicContact CD1-CB 3.96Å; L165-A169 PolarHBondContact O-N 3.21Å; L166-A169 PolarHBondContact O-N 3.06Å; A169-H171 PolarHBondContact O-N 3Å; A169-C172 WeakPolarHBondContact O-CB 3.44Å; A169-C172 PolarHBondContact O-N 3.33Å; A169-C172 VanDerWaalsContact O-N 3.13Å; A169-A176 VanDerWaalsContact O-CB 3.24Å; A169-A176 WeakPolarHBondContact O-CB 3.42Å; A169-L180 HydrophobicContact CB-CD1 4.36Å |
| 170 | A | 86.5 | Confident | 86.8 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -26.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L166 C172 C177 L180 V207 L210 | L166-A170 WeakPolarHBondContact O-CB 3.44Å; L166-A170 PolarHBondContact O-N 3.35Å; A170-C172 PolarHBondContact O-N 2.7Å; A170-C172 VanDerWaalsContact O-N 3.14Å; A170-C177 PolarHBondContact O-SG 2.91Å; A170-C177 VanDerWaalsContact O-SG 3.37Å; A170-L180 HydrophobicContact CB-CD1 3.74Å; A170-V207 HydrophobicContact CB-CG1 4.4Å; A170-L210 HydrophobicContact CB-CB 3.83Å; A170-L210 HydrophobicContact CB-CD1 3.95Å |
| 171 | H | 85.6 | Confident | 86.4 | Confident | 132 Ų | 132 | 41.4 Ų | 41.4 | 61% | 0.611 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.6 | 178.1 | -151.3 | -39.3 | 0 | 0 | 0 | 113.6 | R167 A169 G173 L210 | R167-H171 PolarHBondContact O-N 3.37Å; R167-H171 VanDerWaalsContact O-N 3.13Å; A169-H171 PolarHBondContact O-N 3Å; H171-G173 VanDerWaalsContact C-N 3.26Å; H171-G173 PolarHBondContact O-N 2.9Å; H171-L210 HydrophobicContact CB-CD1 4.43Å |
| 172 | C | 78.1 | Confident | 86.1 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 24% | 0.243 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 15.9 | -173.8 | -58 | 0 | 0 | 0 | 0 | 114.6 | S132 F136 C168 A169 A170 A176 | S132-C172 PolarHBondContact O-SG 2.83Å; F136-C172 HydrophobicContact CD1-CB 3.96Å; F136-C172 HydrophobicContact CE1-CB 4.43Å; C168-C172 PolarHBondContact O-SG 2.69Å; C168-C172 VanDerWaalsContact O-SG 3.39Å; A169-C172 WeakPolarHBondContact O-CB 3.44Å; A169-C172 PolarHBondContact O-N 3.33Å; A169-C172 VanDerWaalsContact O-N 3.13Å; A170-C172 PolarHBondContact O-N 2.7Å; A170-C172 VanDerWaalsContact O-N 3.14Å; C172-A176 HydrophobicContact CB-CB 3.8Å |
| 173 | G | 78.1 | Confident | 85.7 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | trans | 87.9 | -176.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H171 R175 A176 C177 | H171-G173 VanDerWaalsContact C-N 3.26Å; H171-G173 PolarHBondContact O-N 2.9Å; G173-R175 PolarHBondContact O-N 3.06Å; G173-A176 WeakPolarHBondContact O-CB 3.38Å; G173-A176 PolarHBondContact O-N 3.03Å; G173-C177 PolarHBondContact O-N 3.24Å; G173-C177 VanDerWaalsContact O-N 3.11Å | ||
| 174 | S | 79.9 | Confident | 85.3 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.7 | -23.7 | -164.9 | 67.9 | 0 | 0 | 0 | 0 | 115.7 | R178 A214 | S174-R178 WeakPolarHBondContact O-CB 2.84Å; S174-R178 WeakPolarHBondContact O-CG 3.4Å; S174-R178 PolarHBondContact O-N 3.33Å; S174-R178 VanDerWaalsContact O-N 3.1Å; S174-R178 PolarHBondContact O-NE 3.06Å; S174-R178 VanDerWaalsContact O-NE 3.09Å; S174-R178 PolarHBondContact OG-NH2 2.9Å; S174-A214 WeakPolarHBondContact CB-O 3.21Å |
| 175 | R | 81 | Confident | 85.2 | Confident | 172 Ų | 172 | 44.4 Ų | 44.4 | 65% | 0.649 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -73.1 | -37.9 | 172.9 | -170 | 174.9 | -177.1 | -177.1 | 1.6 | 112 | F136 G173 N179 | F136-R175 HydrophobicContact CE2-CG 4.05Å; G173-R175 PolarHBondContact O-N 3.06Å; R175-N179 PolarHBondContact O-N 3.25Å; R175-N179 PolarHBondContact O-OD1 3.32Å |
| 176 | A | 82 | Confident | 85 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.3 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F136 A169 C172 G173 N179 L180 | F136-A176 HydrophobicContact CB-CB 3.63Å; F136-A176 HydrophobicContact CD1-CB 4.09Å; F136-A176 HydrophobicContact CD2-CB 4.34Å; F136-A176 HydrophobicContact CG-CB 3.76Å; A169-A176 VanDerWaalsContact O-CB 3.24Å; A169-A176 WeakPolarHBondContact O-CB 3.42Å; C172-A176 HydrophobicContact CB-CB 3.8Å; G173-A176 WeakPolarHBondContact O-CB 3.38Å; G173-A176 PolarHBondContact O-N 3.03Å; A176-N179 PolarHBondContact O-N 2.96Å; A176-L180 PolarHBondContact O-N 3.08Å |
| 177 | C | 84.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 112 | A170 G173 L180 L181 L210 V211 A214 | A170-C177 PolarHBondContact O-SG 2.91Å; A170-C177 VanDerWaalsContact O-SG 3.37Å; G173-C177 PolarHBondContact O-N 3.24Å; G173-C177 VanDerWaalsContact O-N 3.11Å; C177-L180 WeakPolarHBondContact O-CB 3.31Å; C177-L180 PolarHBondContact O-N 3.18Å; C177-L181 WeakPolarHBondContact O-CG 3.37Å; C177-L181 PolarHBondContact O-N 2.94Å; C177-L210 PolarHBondContact SG-O 2.83Å; C177-L210 VanDerWaalsContact SG-O 3.41Å; C177-V211 HydrophobicContact CB-CG2 4.38Å; C177-A214 HydrophobicContact CB-CB 4.1Å |
| 178 | R | 81.8 | Confident | 84.9 | Confident | 108 Ų | 108 | 43 Ų | 43 | 41% | 0.408 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 173 | -80.2 | -178.2 | -77 | -170.8 | -9.8 | 113.4 | S174 L180 L181 Q182 E218 | S174-R178 WeakPolarHBondContact O-CB 2.84Å; S174-R178 WeakPolarHBondContact O-CG 3.4Å; S174-R178 PolarHBondContact O-N 3.33Å; S174-R178 VanDerWaalsContact O-N 3.1Å; S174-R178 PolarHBondContact O-NE 3.06Å; S174-R178 VanDerWaalsContact O-NE 3.09Å; S174-R178 PolarHBondContact OG-NH2 2.9Å; R178-L180 VanDerWaalsContact C-N 3.26Å; R178-L180 PolarHBondContact O-N 3.28Å; R178-L181 PolarHBondContact O-N 3.49Å; R178-Q182 WeakPolarHBondContact O-CB 3.48Å; R178-Q182 WeakPolarHBondContact O-CG 3.28Å; R178-Q182 PolarHBondContact O-N 3.36Å; R178-E218 WeakPolarHBondContact CD-OE1 3.43Å; R178-E218 WeakPolarHBondContact CG-OE1 3.36Å; R178-E218 WeakPolarHBondContact CG-OE2 3.48Å |
| 179 | N | 81.8 | Confident | 85.1 | Confident | 39 Ų | 39 | 42 Ų | 42 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -33.7 | 174.2 | -78.2 | 15.1 | 0 | 0 | 0 | 112.7 | F136 R175 A176 | F136-N179 PolarHBondContact O-ND2 3.14Å; R175-N179 PolarHBondContact O-N 3.25Å; R175-N179 PolarHBondContact O-OD1 3.32Å; A176-N179 PolarHBondContact O-N 2.96Å |
| 180 | L | 86 | Confident | 85.3 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -47.7 | 173.2 | -80.6 | 158 | 0 | 0 | 0 | 111.7 | I142 L166 A169 A170 A176 C177 R178 Q182 L183 S185 | I142-L180 HydrophobicContact CG2-CD2 3.44Å; I142-L180 VanDerWaalsContact CG2-CD2 3.44Å; I142-L180 HydrophobicContact CG2-CG 4.31Å; L166-L180 HydrophobicContact CD2-CD2 3.92Å; A169-L180 HydrophobicContact CB-CD1 4.36Å; A170-L180 HydrophobicContact CB-CD1 3.74Å; A176-L180 PolarHBondContact O-N 3.08Å; C177-L180 WeakPolarHBondContact O-CB 3.31Å; C177-L180 PolarHBondContact O-N 3.18Å; R178-L180 VanDerWaalsContact C-N 3.26Å; R178-L180 PolarHBondContact O-N 3.28Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 3.05Å; L180-L183 WeakPolarHBondContact O-CA 3.25Å; L180-L183 WeakPolarHBondContact O-CB 3.39Å; L180-L183 PolarHBondContact O-N 2.72Å; L180-S185 VanDerWaalsContact C-OG 3.23Å; L180-S185 VanDerWaalsContact O-CB 3.23Å; L180-S185 WeakPolarHBondContact O-CB 3.29Å; L180-S185 PolarHBondContact O-N 2.92Å; L180-S185 PolarHBondContact O-OG 2.75Å; L180-S185 VanDerWaalsContact O-OG 3.06Å |
| 181 | L | 84.5 | Confident | 85.5 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -36.5 | 178.5 | -69.5 | -180 | 0 | 0 | 0 | 113 | C177 R178 L183 N184 A186 V211 A215 E218 W220 Q223 | C177-L181 WeakPolarHBondContact O-CG 3.37Å; C177-L181 PolarHBondContact O-N 2.94Å; R178-L181 PolarHBondContact O-N 3.49Å; L181-L183 PolarHBondContact O-N 2.98Å; L181-L183 VanDerWaalsContact O-N 3.12Å; L181-N184 PolarHBondContact O-N 3.24Å; L181-A186 HydrophobicContact CD2-CB 4.14Å; L181-V211 HydrophobicContact CD1-CG1 3.95Å; L181-V211 HydrophobicContact CD2-CG1 3.79Å; L181-V211 HydrophobicContact CG-CG1 4.03Å; L181-A215 HydrophobicContact CD1-CB 4.3Å; L181-E218 HydrophobicContact CD1-CB 4.39Å; L181-E218 WeakPolarHBondContact CD1-OE2 3.47Å; L181-W220 HydrophobicContact CD1-CB 3.86Å; L181-W220 HydrophobicContact CD1-CG 4.47Å; L181-W220 HydrophobicContact CD2-CB 3.36Å; L181-W220 HydrophobicContact CD2-CG 4.39Å; L181-W220 HydrophobicContact CG-CB 4.24Å; L181-Q223 PolarHBondContact O-NE2 3.41Å |
| 182 | Q | 85.9 | Confident | 85.7 | Confident | 124 Ų | 124 | 41 Ų | 41 | 58% | 0.579 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 0.4 | 170.5 | -70.4 | -178 | 6.5 | 0 | 0 | 114.6 | R139 R178 L180 | R139-Q182 PolarHBondContact NH2-O 3.35Å; R178-Q182 WeakPolarHBondContact O-CB 3.48Å; R178-Q182 WeakPolarHBondContact O-CG 3.28Å; R178-Q182 PolarHBondContact O-N 3.36Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 3.05Å |
| 183 | L | 86.8 | Confident | 86.4 | Confident | 36 Ų | 36 | 39.2 Ų | 39.2 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 18.8 | 170.4 | -70 | 170.9 | 0 | 0 | 0 | 111.9 | R139 I142 L146 L180 L181 S185 | R139-L183 HydrophobicContact CG-CD1 4Å; R139-L183 HydrophobicContact CG-CD2 4.14Å; R139-L183 HydrophobicContact CG-CG 4.39Å; I142-L183 HydrophobicContact CB-CD1 3.82Å; I142-L183 HydrophobicContact CG2-CD1 3.53Å; L146-L183 HydrophobicContact CD1-CB 3.59Å; L146-L183 HydrophobicContact CD1-CD1 4.25Å; L180-L183 WeakPolarHBondContact O-CA 3.25Å; L180-L183 WeakPolarHBondContact O-CB 3.39Å; L180-L183 PolarHBondContact O-N 2.72Å; L181-L183 PolarHBondContact O-N 2.98Å; L181-L183 VanDerWaalsContact O-N 3.12Å; L183-S185 PolarHBondContact O-N 3.23Å |
| 184 | N | 86.8 | Confident | 86.8 | Confident | 72 Ų | 72 | 38.9 Ų | 38.9 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.8 | -176.3 | -160.9 | 30.1 | 0 | 0 | 0 | 113.1 | L181 A186 N187 V188 Q223 | L181-N184 PolarHBondContact O-N 3.24Å; N184-A186 VanDerWaalsContact C-N 3.27Å; N184-A186 PolarHBondContact O-N 3.5Å; N184-N187 WeakPolarHBondContact ND2-CB 3.49Å; N184-N187 PolarHBondContact O-N 3.09Å; N184-N187 VanDerWaalsContact OD1-CB 3.25Å; N184-N187 WeakPolarHBondContact OD1-CB 3.41Å; N184-V188 PolarHBondContact O-N 3.33Å; N184-Q223 WeakPolarHBondContact OD1-CG 3.08Å; N184-Q223 PolarHBondContact OD1-OE1 3.44Å |
| 185 | S | 89.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -32.2 | -169.2 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | L180 L183 L189 | L180-S185 VanDerWaalsContact C-OG 3.23Å; L180-S185 VanDerWaalsContact O-CB 3.23Å; L180-S185 WeakPolarHBondContact O-CB 3.29Å; L180-S185 PolarHBondContact O-N 2.92Å; L180-S185 PolarHBondContact O-OG 2.75Å; L180-S185 VanDerWaalsContact O-OG 3.06Å; L183-S185 PolarHBondContact O-N 3.23Å; S185-L189 VanDerWaalsContact O-CB 3.27Å; S185-L189 WeakPolarHBondContact O-CB 3.31Å; S185-L189 WeakPolarHBondContact O-CD1 3.16Å; S185-L189 WeakPolarHBondContact O-CG 3.45Å; S185-L189 PolarHBondContact O-N 3.43Å; S185-L189 VanDerWaalsContact O-N 3.12Å |
| 186 | A | 88.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.5 | -41.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L181 N184 L189 A190 L208 W220 Q223 I224 | L181-A186 HydrophobicContact CD2-CB 4.14Å; N184-A186 VanDerWaalsContact C-N 3.27Å; N184-A186 PolarHBondContact O-N 3.5Å; A186-L189 PolarHBondContact O-N 2.81Å; A186-A190 WeakPolarHBondContact O-CB 3.31Å; A186-A190 PolarHBondContact O-N 2.86Å; A186-L208 HydrophobicContact CB-CD2 4.15Å; A186-W220 HydrophobicContact CB-CB 4.36Å; A186-W220 HydrophobicContact CB-CE3 4.46Å; A186-Q223 HydrophobicContact CB-CB 4Å; A186-I224 HydrophobicContact CB-CG2 3.76Å; A186-I224 WeakPolarHBondContact O-CG2 3.37Å |
| 187 | N | 89.5 | Confident | 87.7 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -54.3 | 175.2 | -171 | -68.6 | 0 | 0 | 0 | 111.8 | N184 L189 A190 E191 Q223 | N184-N187 WeakPolarHBondContact ND2-CB 3.49Å; N184-N187 PolarHBondContact O-N 3.09Å; N184-N187 VanDerWaalsContact OD1-CB 3.25Å; N184-N187 WeakPolarHBondContact OD1-CB 3.41Å; N187-L189 VanDerWaalsContact C-N 3.27Å; N187-L189 PolarHBondContact O-N 2.84Å; N187-A190 PolarHBondContact O-N 3.29Å; N187-E191 WeakPolarHBondContact O-CB 3.4Å; N187-E191 PolarHBondContact O-N 2.9Å; N187-Q223 VanDerWaalsContact CA-O 3.27Å; N187-Q223 WeakPolarHBondContact CA-O 3.25Å; N187-Q223 HydrophobicContact CB-CB 4.1Å; N187-Q223 WeakPolarHBondContact CB-O 3.43Å; N187-Q223 PolarHBondContact ND2-O 3.24Å |
| 188 | V | 91.1 | Very high | 87.8 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 16% | 0.164 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | -178.6 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | V149 N184 N192 | V149-V188 HydrophobicContact CG1-CG1 4.37Å; N184-V188 PolarHBondContact O-N 3.33Å; V188-N192 PolarHBondContact O-ND2 3.33Å |
| 189 | L | 93.3 | Very high | 88 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.7 | -39.5 | 174.9 | -76.1 | 171.7 | 0 | 0 | 0 | 112.4 | V149 L163 L166 S185 A186 N187 Y193 T204 V207 L208 | V149-L189 HydrophobicContact CG1-CD2 4.09Å; L163-L189 HydrophobicContact CD2-CD2 3.46Å; L163-L189 VanDerWaalsContact CD2-CD2 3.46Å; L166-L189 HydrophobicContact CD1-CD2 4.26Å; S185-L189 VanDerWaalsContact O-CB 3.27Å; S185-L189 WeakPolarHBondContact O-CB 3.31Å; S185-L189 WeakPolarHBondContact O-CD1 3.16Å; S185-L189 WeakPolarHBondContact O-CG 3.45Å; S185-L189 PolarHBondContact O-N 3.43Å; S185-L189 VanDerWaalsContact O-N 3.12Å; A186-L189 PolarHBondContact O-N 2.81Å; N187-L189 VanDerWaalsContact C-N 3.27Å; N187-L189 PolarHBondContact O-N 2.84Å; L189-Y193 WeakPolarHBondContact O-CB 3.11Å; L189-Y193 PolarHBondContact O-N 2.92Å; L189-T204 HydrophobicContact CB-CG2 3.95Å; L189-T204 HydrophobicContact CD2-CG2 4.06Å; L189-V207 HydrophobicContact CD1-CB 4.22Å; L189-V207 HydrophobicContact CD1-CG1 3.67Å; L189-L208 HydrophobicContact CD1-CD2 4.34Å |
| 190 | A | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.3 | -44.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A186 N187 N192 Y193 P194 I224 T227 F229 | A186-A190 WeakPolarHBondContact O-CB 3.31Å; A186-A190 PolarHBondContact O-N 2.86Å; N187-A190 PolarHBondContact O-N 3.29Å; A190-N192 VanDerWaalsContact C-N 3.31Å; A190-N192 PolarHBondContact O-N 2.74Å; A190-Y193 WeakPolarHBondContact O-CB 3.16Å; A190-Y193 PolarHBondContact O-N 3.4Å; A190-P194 WeakPolarHBondContact O-CD 3.27Å; A190-I224 HydrophobicContact CB-CB 3.94Å; A190-I224 HydrophobicContact CB-CG2 3.53Å; A190-T227 HydrophobicContact CB-CG2 4.22Å; A190-T227 WeakPolarHBondContact CB-OG1 3.36Å; A190-F229 HydrophobicContact CB-CB 3.68Å; A190-F229 HydrophobicContact CB-CD1 4.46Å; A190-F229 HydrophobicContact CB-CD2 4.15Å; A190-F229 HydrophobicContact CB-CG 3.85Å |
| 191 | E | 91.1 | Very high | 88.6 | Confident | 106 Ų | 106 | 34 Ų | 34 | 50% | 0.495 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.5 | -42.6 | 174.9 | -179 | -168.1 | -147 | 0 | 0 | 111.8 | N187 P194 T227 | N187-E191 WeakPolarHBondContact O-CB 3.4Å; N187-E191 PolarHBondContact O-N 2.9Å; E191-P194 VanDerWaalsContact O-CD 3.26Å; E191-P194 WeakPolarHBondContact O-CD 3.39Å; E191-T227 HydrophobicContact CB-CG2 4.38Å |
| 192 | N | 90.1 | Very high | 89 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -90.4 | -7.2 | -176.2 | -66.9 | -78.9 | 0 | 0 | 0 | 113 | V188 A190 K195 Q196 | V188-N192 PolarHBondContact O-ND2 3.33Å; A190-N192 VanDerWaalsContact C-N 3.31Å; A190-N192 PolarHBondContact O-N 2.74Å; N192-K195 PolarHBondContact O-N 3.2Å; N192-K195 PolarHBondContact OD1-NZ 3.26Å; N192-K195 VanDerWaalsContact OD1-NZ 3.11Å; N192-Q196 VanDerWaalsContact O-CG 3.29Å; N192-Q196 WeakPolarHBondContact O-CG 3.09Å; N192-Q196 PolarHBondContact O-N 3.43Å; N192-Q196 PolarHBondContact O-NE2 2.98Å |
| 193 | Y | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -57.5 | -42.6 | 177.4 | -173.1 | -99.4 | 0 | 0 | 0 | 114.3 | L189 A190 K195 Q196 R201 T204 V205 F229 K232 D236 | L189-Y193 WeakPolarHBondContact O-CB 3.11Å; L189-Y193 PolarHBondContact O-N 2.92Å; A190-Y193 WeakPolarHBondContact O-CB 3.16Å; A190-Y193 PolarHBondContact O-N 3.4Å; Y193-K195 VanDerWaalsContact C-N 3.28Å; Y193-K195 PolarHBondContact O-N 3.12Å; Y193-Q196 PolarHBondContact O-N 2.91Å; Y193-R201 HydrophobicContact CD2-CB 4.06Å; Y193-R201 HydrophobicContact CD2-CG 3.69Å; Y193-R201 HydrophobicContact CE1-CG 4.33Å; Y193-R201 HydrophobicContact CE2-CB 3.4Å; Y193-R201 HydrophobicContact CE2-CG 3.46Å; Y193-R201 VanDerWaalsContact CE2-CG 3.46Å; Y193-R201 HydrophobicContact CG-CG 4.23Å; Y193-R201 VanDerWaalsContact O-CD 3.28Å; Y193-R201 WeakPolarHBondContact O-CD 3.46Å; Y193-R201 WeakPolarHBondContact O-CG 3.34Å; Y193-T204 HydrophobicContact CD2-CG2 3.68Å; Y193-T204 HydrophobicContact CE2-CG2 4.4Å; Y193-V205 HydrophobicContact CE2-CG2 3.7Å; Y193-F229 AromaticContact CD1-CD2 3.66Å; Y193-F229 HydrophobicContact CD1-CD2 3.66Å; Y193-F229 AromaticContact CD1-CE2 3.91Å; Y193-F229 HydrophobicContact CD1-CE2 3.91Å; Y193-F229 HydrophobicContact CD2-CD2 4.24Å; Y193-F229 AromaticContact CD2-CE2 3.93Å; Y193-F229 HydrophobicContact CD2-CE2 3.93Å; Y193-F229 HydrophobicContact CE1-CD2 4.38Å; Y193-F229 HydrophobicContact CE1-CE2 4.26Å; Y193-F229 HydrophobicContact CE2-CE2 4.24Å; Y193-F229 AromaticContact CG-CD2 3.6Å; Y193-F229 HydrophobicContact CG-CD2 3.6Å; Y193-F229 AromaticContact CG-CE2 3.75Å; Y193-F229 HydrophobicContact CG-CE2 3.75Å; Y193-K232 HydrophobicContact CD1-CB 3.87Å; Y193-K232 HydrophobicContact CD1-CG 3.73Å; Y193-K232 HydrophobicContact CE1-CB 3.96Å; Y193-K232 HydrophobicContact CE1-CG 3.65Å; Y193-D236 WeakPolarHBondContact CE1-OD2 3.27Å; Y193-D236 PolarHBondContact OH-OD2 3.47Å |
| 194 | P | 87.7 | Confident | 89.5 | Confident | 26 Ų | 26 | 28.2 Ų | 28.2 | 17% | 0.169 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -65.2 | -29.6 | -178.7 | -21.1 | 34.2 | 0 | 0 | 0 | 114.1 | A190 E191 E228 K232 | A190-P194 WeakPolarHBondContact O-CD 3.27Å; E191-P194 VanDerWaalsContact O-CD 3.26Å; E191-P194 WeakPolarHBondContact O-CD 3.39Å; P194-E228 HydrophobicContact CG-CB 3.92Å; P194-K232 HydrophobicContact CB-CD 4.19Å; P194-K232 HydrophobicContact CB-CG 4.43Å; P194-K232 HydrophobicContact CG-CB 4.49Å; P194-K232 PolarHBondContact O-NZ 3.3Å |
| 195 | K | 86.4 | Confident | 89.8 | Confident | 117 Ų | 117 | 24.8 Ų | 24.8 | 51% | 0.509 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -75.4 | -25.1 | 177.9 | -55.5 | 178.4 | -178.6 | 174 | 0 | 113.2 | D152 N192 Y193 | D152-K195 VanDerWaalsContact OD1-CD 3.31Å; D152-K195 WeakPolarHBondContact OD1-CD 3.42Å; D152-K195 WeakPolarHBondContact OD1-CE 3.44Å; D152-K195 IonicContact OD1-NZ 3.91Å; D152-K195 PolarHBondContact OD1-NZ 2.82Å; D152-K195 IonicContact OD2-NZ 2.69Å; D152-K195 PolarHBondContact OD2-NZ 3.01Å; N192-K195 PolarHBondContact O-N 3.2Å; N192-K195 PolarHBondContact OD1-NZ 3.26Å; N192-K195 VanDerWaalsContact OD1-NZ 3.11Å; Y193-K195 VanDerWaalsContact C-N 3.28Å; Y193-K195 PolarHBondContact O-N 3.12Å |
| 196 | Q | 88.1 | Confident | 89.9 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 7% | 0.065 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -77.6 | 148.2 | -169.1 | -79 | 167.6 | 26 | 0 | 0 | 114.1 | L159 N192 Y193 C200 R201 T204 | L159-Q196 HydrophobicContact CD2-CG 3.83Å; N192-Q196 VanDerWaalsContact O-CG 3.29Å; N192-Q196 WeakPolarHBondContact O-CG 3.09Å; N192-Q196 PolarHBondContact O-N 3.43Å; N192-Q196 PolarHBondContact O-NE2 2.98Å; Y193-Q196 PolarHBondContact O-N 2.91Å; Q196-C200 HydrophobicContact CB-CB 3.86Å; Q196-C200 HydrophobicContact CG-CB 3.83Å; Q196-R201 HydrophobicContact CB-CG 3.51Å; Q196-R201 WeakPolarHBondContact O-CD 3.35Å; Q196-R201 PolarHBondContact O-NE 3.26Å; Q196-T204 PolarHBondContact OE1-OG1 3.3Å |
| 197 | D | 86.7 | Confident | 90.1 | Very high | 71 Ų | 71 | 27.2 Ų | 27.2 | 38% | 0.38 | 13% | 0.134 | S | C | . | . | trans | -71.4 | 176.3 | 170.6 | 83.6 | 3.5 | 0 | 0 | 0 | 112.8 | S156 E199 C200 R201 | S156-D197 WeakPolarHBondContact CB-OD2 3.47Å; S156-D197 PolarHBondContact OG-OD1 2.75Å; S156-D197 PolarHBondContact OG-OD2 2.95Å; D197-E199 VanDerWaalsContact C-N 3.27Å; D197-E199 PolarHBondContact O-N 2.92Å; D197-E199 WeakPolarHBondContact OD1-CA 3.19Å; D197-E199 PolarHBondContact OD1-N 3.45Å; D197-C200 PolarHBondContact O-N 2.8Å; D197-C200 PolarHBondContact OD1-N 3.1Å; D197-R201 VanDerWaalsContact O-CB 3.31Å; D197-R201 WeakPolarHBondContact O-CB 3.31Å; D197-R201 WeakPolarHBondContact O-CG 3.5Å; D197-R201 PolarHBondContact O-N 3.13Å | ||
| 198 | C | 86.1 | Confident | 90.2 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68 | -18.9 | -178.5 | -59.8 | 0 | 0 | 0 | 0 | 114.7 | R201 L202 L253 | C198-R201 PolarHBondContact SG-NH2 3.11Å; C198-L202 WeakPolarHBondContact O-CB 3.34Å; C198-L253 HydrophobicContact CB-CD2 4.27Å |
| 199 | E | 86.7 | Confident | 90.1 | Very high | 49 Ų | 49 | 25.9 Ų | 25.9 | 23% | 0.229 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -83.8 | -39.1 | 174.9 | 169.6 | 166.1 | -174.7 | 0 | 0 | 111.7 | S160 D197 K203 R249 | S160-E199 PolarHBondContact OG-OE1 2.75Å; D197-E199 VanDerWaalsContact C-N 3.27Å; D197-E199 PolarHBondContact O-N 2.92Å; D197-E199 WeakPolarHBondContact OD1-CA 3.19Å; D197-E199 PolarHBondContact OD1-N 3.45Å; E199-K203 PolarHBondContact O-NZ 3.41Å; E199-K203 IonicContact OE1-NZ 2.83Å; E199-K203 PolarHBondContact OE1-NZ 2.75Å; E199-R249 IonicContact OE2-CZ 3.46Å; E199-R249 IonicContact OE2-NH1 2.9Å; E199-R249 PolarHBondContact OE2-NH1 2.63Å; E199-R249 IonicContact OE2-NH2 3.17Å; E199-R249 PolarHBondContact OE2-NH2 2.98Å; E199-R249 VanDerWaalsContact OE2-NH2 3.1Å |
| 200 | C | 90.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.2 | -48 | 176.9 | -70.9 | 0 | 0 | 0 | 0 | 110.8 | S156 L159 L163 Q196 D197 L202 K203 T204 | S156-C200 PolarHBondContact OG-SG 3.37Å; S156-C200 VanDerWaalsContact OG-SG 3.36Å; L159-C200 HydrophobicContact CD2-CB 4.15Å; L159-C200 HydrophobicContact CG-CB 4.47Å; L163-C200 HydrophobicContact CD1-CB 3.69Å; L163-C200 WeakPolarHBondContact CD1-O 3.45Å; Q196-C200 HydrophobicContact CB-CB 3.86Å; Q196-C200 HydrophobicContact CG-CB 3.83Å; D197-C200 PolarHBondContact O-N 2.8Å; D197-C200 PolarHBondContact OD1-N 3.1Å; C200-L202 PolarHBondContact O-N 3.17Å; C200-K203 PolarHBondContact O-N 2.89Å; C200-T204 PolarHBondContact O-N 3.47Å; C200-T204 PolarHBondContact O-OG1 2.62Å |
| 201 | R | 90.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55 | -38.5 | 176.2 | -74.8 | -168.7 | -73 | 154 | 5.2 | 113 | Y193 Q196 D197 C198 K203 T204 V205 D236 L253 | Y193-R201 HydrophobicContact CD2-CB 4.06Å; Y193-R201 HydrophobicContact CD2-CG 3.69Å; Y193-R201 HydrophobicContact CE1-CG 4.33Å; Y193-R201 HydrophobicContact CE2-CB 3.4Å; Y193-R201 HydrophobicContact CE2-CG 3.46Å; Y193-R201 VanDerWaalsContact CE2-CG 3.46Å; Y193-R201 HydrophobicContact CG-CG 4.23Å; Y193-R201 VanDerWaalsContact O-CD 3.28Å; Y193-R201 WeakPolarHBondContact O-CD 3.46Å; Y193-R201 WeakPolarHBondContact O-CG 3.34Å; Q196-R201 HydrophobicContact CB-CG 3.51Å; Q196-R201 WeakPolarHBondContact O-CD 3.35Å; Q196-R201 PolarHBondContact O-NE 3.26Å; D197-R201 VanDerWaalsContact O-CB 3.31Å; D197-R201 WeakPolarHBondContact O-CB 3.31Å; D197-R201 WeakPolarHBondContact O-CG 3.5Å; D197-R201 PolarHBondContact O-N 3.13Å; C198-R201 PolarHBondContact SG-NH2 3.11Å; R201-K203 PolarHBondContact O-N 3.07Å; R201-T204 PolarHBondContact O-N 2.93Å; R201-V205 WeakPolarHBondContact O-CG2 3.25Å; R201-V205 PolarHBondContact O-N 3.21Å; R201-D236 IonicContact CZ-OD1 2.7Å; R201-D236 IonicContact CZ-OD2 2.75Å; R201-D236 IonicContact NH1-OD1 3.54Å; R201-D236 PolarHBondContact NH1-OD1 2.75Å; R201-D236 IonicContact NH1-OD2 2.76Å; R201-D236 PolarHBondContact NH1-OD2 2.93Å; R201-D236 IonicContact NH2-OD1 3.52Å; R201-L253 HydrophobicContact CB-CD1 4.01Å; R201-L253 HydrophobicContact CB-CD2 4.14Å |
| 202 | L | 91 | Very high | 89.3 | Confident | 31 Ų | 31 | 23.8 Ų | 23.8 | 16% | 0.162 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 175.3 | 173.1 | 59.5 | 0 | 0 | 0 | 111.6 | C198 C200 V205 E206 L253 A256 | C198-L202 WeakPolarHBondContact O-CB 3.34Å; C200-L202 PolarHBondContact O-N 3.17Å; L202-V205 PolarHBondContact O-N 2.95Å; L202-E206 HydrophobicContact CD1-CG 4.37Å; L202-E206 WeakPolarHBondContact O-CG 3.42Å; L202-E206 PolarHBondContact O-N 3.39Å; L202-L253 HydrophobicContact CB-CD1 4.33Å; L202-A256 HydrophobicContact CD1-CB 3.71Å |
| 203 | K | 90.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 27.5 Ų | 27.5 | 9% | 0.087 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.9 | -37.9 | 178.5 | -63.9 | -174 | -167.7 | 72.3 | 0 | 112.3 | S160 L163 R164 E199 C200 R201 V205 E206 V207 | S160-K203 VanDerWaalsContact O-CD 3.31Å; S160-K203 WeakPolarHBondContact O-CD 3.34Å; S160-K203 WeakPolarHBondContact O-CE 3.43Å; S160-K203 VanDerWaalsContact OG-CE 3.31Å; S160-K203 WeakPolarHBondContact OG-CE 3.46Å; S160-K203 PolarHBondContact OG-NZ 3.04Å; L163-K203 HydrophobicContact CB-CB 3.74Å; L163-K203 HydrophobicContact CB-CD 4.06Å; L163-K203 HydrophobicContact CD1-CB 4.33Å; R164-K203 HydrophobicContact CB-CD 4.15Å; E199-K203 PolarHBondContact O-NZ 3.41Å; E199-K203 IonicContact OE1-NZ 2.83Å; E199-K203 PolarHBondContact OE1-NZ 2.75Å; C200-K203 PolarHBondContact O-N 2.89Å; R201-K203 PolarHBondContact O-N 3.07Å; K203-V205 VanDerWaalsContact C-N 3.34Å; K203-V205 PolarHBondContact O-N 3.49Å; K203-E206 WeakPolarHBondContact O-CB 3.4Å; K203-E206 PolarHBondContact O-N 2.97Å; K203-V207 WeakPolarHBondContact O-CG2 3.46Å; K203-V207 PolarHBondContact O-N 3.33Å |
| 204 | T | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 174.8 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | L189 Y193 Q196 C200 R201 V207 L208 | L189-T204 HydrophobicContact CB-CG2 3.95Å; L189-T204 HydrophobicContact CD2-CG2 4.06Å; Y193-T204 HydrophobicContact CD2-CG2 3.68Å; Y193-T204 HydrophobicContact CE2-CG2 4.4Å; Q196-T204 PolarHBondContact OE1-OG1 3.3Å; C200-T204 PolarHBondContact O-N 3.47Å; C200-T204 PolarHBondContact O-OG1 2.62Å; R201-T204 PolarHBondContact O-N 2.93Å; T204-V207 PolarHBondContact O-N 2.97Å; T204-L208 HydrophobicContact CG2-CD1 4.36Å; T204-L208 WeakPolarHBondContact O-CG 3.29Å; T204-L208 PolarHBondContact O-N 3.27Å |
| 205 | V | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -38 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | Y193 R201 L202 K203 V207 L208 L209 L233 L253 A256 L260 | Y193-V205 HydrophobicContact CE2-CG2 3.7Å; R201-V205 WeakPolarHBondContact O-CG2 3.25Å; R201-V205 PolarHBondContact O-N 3.21Å; L202-V205 PolarHBondContact O-N 2.95Å; K203-V205 VanDerWaalsContact C-N 3.34Å; K203-V205 PolarHBondContact O-N 3.49Å; V205-V207 VanDerWaalsContact C-N 3.34Å; V205-V207 PolarHBondContact O-N 3.48Å; V205-L208 PolarHBondContact O-N 3.31Å; V205-L209 HydrophobicContact CG1-CD1 4.06Å; V205-L209 HydrophobicContact CG1-CG 4.44Å; V205-L209 WeakPolarHBondContact O-CB 3.09Å; V205-L209 WeakPolarHBondContact O-CG 3.41Å; V205-L209 PolarHBondContact O-N 2.82Å; V205-L233 HydrophobicContact CG2-CD1 4.22Å; V205-L253 HydrophobicContact CG2-CD1 4.48Å; V205-A256 HydrophobicContact CB-CB 4.39Å; V205-A256 VanDerWaalsContact CG1-C 3.44Å; V205-A256 HydrophobicContact CG1-CB 3.64Å; V205-A256 WeakPolarHBondContact CG1-O 3.35Å; V205-L260 HydrophobicContact CB-CD2 4.47Å; V205-L260 HydrophobicContact CG1-CB 3.99Å; V205-L260 HydrophobicContact CG1-CD2 4.03Å; V205-L260 HydrophobicContact CG2-CD2 4.28Å |
| 206 | E | 92.2 | Very high | 86.6 | Confident | 52 Ų | 52 | 25 Ų | 25 | 24% | 0.243 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -37.1 | 173.8 | -72.4 | 176.8 | 149.5 | 0 | 0 | 112.8 | R167 L202 K203 L210 | R167-E206 WeakPolarHBondContact CD-OE2 3.38Å; R167-E206 HydrophobicContact CG-CB 4.3Å; R167-E206 IonicContact CZ-OE2 3.13Å; R167-E206 IonicContact NE-OE2 3.73Å; R167-E206 IonicContact NH1-OE1 2.66Å; R167-E206 PolarHBondContact NH1-OE1 2.76Å; R167-E206 IonicContact NH1-OE2 2.78Å; R167-E206 PolarHBondContact NH1-OE2 2.75Å; L202-E206 HydrophobicContact CD1-CG 4.37Å; L202-E206 WeakPolarHBondContact O-CG 3.42Å; L202-E206 PolarHBondContact O-N 3.39Å; K203-E206 WeakPolarHBondContact O-CB 3.4Å; K203-E206 PolarHBondContact O-N 2.97Å; E206-L210 WeakPolarHBondContact O-CG 3.43Å; E206-L210 PolarHBondContact O-N 3.41Å |
| 207 | V | 91.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -48.4 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | L166 R167 A170 L189 K203 T204 V205 L209 L210 V211 | L166-V207 HydrophobicContact CB-CG2 4.18Å; R167-V207 HydrophobicContact CB-CG2 3.91Å; R167-V207 HydrophobicContact CG-CG2 4.23Å; A170-V207 HydrophobicContact CB-CG1 4.4Å; L189-V207 HydrophobicContact CD1-CB 4.22Å; L189-V207 HydrophobicContact CD1-CG1 3.67Å; K203-V207 WeakPolarHBondContact O-CG2 3.46Å; K203-V207 PolarHBondContact O-N 3.33Å; T204-V207 PolarHBondContact O-N 2.97Å; V205-V207 VanDerWaalsContact C-N 3.34Å; V205-V207 PolarHBondContact O-N 3.48Å; V207-L209 VanDerWaalsContact C-N 3.26Å; V207-L209 PolarHBondContact O-N 2.99Å; V207-L210 PolarHBondContact O-N 3.2Å; V207-L210 VanDerWaalsContact O-N 3.09Å; V207-V211 WeakPolarHBondContact O-CG2 3.35Å; V207-V211 PolarHBondContact O-N 3.29Å |
| 208 | L | 91.3 | Very high | 84 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -30.5 | 178.2 | -66.4 | 173.5 | 0 | 0 | 0 | 112.5 | A186 L189 T204 V205 V211 S212 W220 F229 L260 | A186-L208 HydrophobicContact CB-CD2 4.15Å; L189-L208 HydrophobicContact CD1-CD2 4.34Å; T204-L208 HydrophobicContact CG2-CD1 4.36Å; T204-L208 WeakPolarHBondContact O-CG 3.29Å; T204-L208 PolarHBondContact O-N 3.27Å; V205-L208 PolarHBondContact O-N 3.31Å; L208-V211 PolarHBondContact O-N 2.59Å; L208-S212 WeakPolarHBondContact O-CB 3.48Å; L208-S212 PolarHBondContact O-N 2.75Å; L208-S212 PolarHBondContact O-OG 2.93Å; L208-W220 HydrophobicContact CD2-CZ3 4.42Å; L208-F229 HydrophobicContact CD1-CE1 4.18Å; L208-F229 HydrophobicContact CD1-CE2 3.81Å; L208-F229 HydrophobicContact CD1-CZ 3.48Å; L208-F229 VanDerWaalsContact CD1-CZ 3.48Å; L208-L260 HydrophobicContact CB-CD1 4Å; L208-L260 HydrophobicContact CB-CD2 3.83Å; L208-L260 HydrophobicContact CD1-CD2 4.11Å |
| 209 | L | 90 | Very high | 83 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 170.3 | -84.3 | 169.5 | 0 | 0 | 0 | 113.2 | V205 V207 S212 A213 A256 R259 L260 | V205-L209 HydrophobicContact CG1-CD1 4.06Å; V205-L209 HydrophobicContact CG1-CG 4.44Å; V205-L209 WeakPolarHBondContact O-CB 3.09Å; V205-L209 WeakPolarHBondContact O-CG 3.41Å; V205-L209 PolarHBondContact O-N 2.82Å; V207-L209 VanDerWaalsContact C-N 3.26Å; V207-L209 PolarHBondContact O-N 2.99Å; L209-S212 WeakPolarHBondContact CA-OG 3.48Å; L209-S212 PolarHBondContact O-OG 3.44Å; L209-A213 VanDerWaalsContact O-CB 3.25Å; L209-A213 WeakPolarHBondContact O-CB 3.26Å; L209-A213 PolarHBondContact O-N 3.26Å; L209-A213 VanDerWaalsContact O-N 3.13Å; L209-A256 HydrophobicContact CD1-CB 4.46Å; L209-R259 HydrophobicContact CD1-CB 4.19Å; L209-R259 HydrophobicContact CD2-CB 3.92Å; L209-L260 HydrophobicContact CD2-CB 4.11Å; L209-L260 HydrophobicContact CD2-CD1 4.24Å; L209-L260 HydrophobicContact CG-CB 4.14Å; L209-L260 HydrophobicContact CG-CD1 4.24Å |
| 210 | L | 88.1 | Confident | 82.7 | Confident | 48 Ų | 48 | 35.9 Ų | 35.9 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.7 | -33.6 | 176 | -71.2 | 167.3 | 0 | 0 | 0 | 112.2 | R167 A170 H171 C177 E206 V207 A214 | R167-L210 HydrophobicContact CG-CD1 3.81Å; A170-L210 HydrophobicContact CB-CB 3.83Å; A170-L210 HydrophobicContact CB-CD1 3.95Å; H171-L210 HydrophobicContact CB-CD1 4.43Å; C177-L210 PolarHBondContact SG-O 2.83Å; C177-L210 VanDerWaalsContact SG-O 3.41Å; E206-L210 WeakPolarHBondContact O-CG 3.43Å; E206-L210 PolarHBondContact O-N 3.41Å; V207-L210 PolarHBondContact O-N 3.2Å; V207-L210 VanDerWaalsContact O-N 3.09Å; L210-A214 VanDerWaalsContact O-CB 3.25Å; L210-A214 WeakPolarHBondContact O-CB 3.38Å; L210-A214 PolarHBondContact O-N 3.38Å |
| 211 | V | 86.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.5 | -57.1 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | C177 L181 V207 L208 A213 A214 A215 W220 | C177-V211 HydrophobicContact CB-CG2 4.38Å; L181-V211 HydrophobicContact CD1-CG1 3.95Å; L181-V211 HydrophobicContact CD2-CG1 3.79Å; L181-V211 HydrophobicContact CG-CG1 4.03Å; V207-V211 WeakPolarHBondContact O-CG2 3.35Å; V207-V211 PolarHBondContact O-N 3.29Å; L208-V211 PolarHBondContact O-N 2.59Å; V211-A213 VanDerWaalsContact C-N 3.27Å; V211-A213 PolarHBondContact O-N 3.36Å; V211-A214 PolarHBondContact O-N 3.19Å; V211-A215 PolarHBondContact O-N 3.42Å; V211-W220 HydrophobicContact CG1-CD2 4.42Å; V211-W220 HydrophobicContact CG1-CG 4.3Å |
| 212 | S | 84.1 | Confident | 81.6 | Confident | 13 Ų | 13 | 40 Ų | 40 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -29.5 | -178.6 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | L208 L209 A214 W220 | L208-S212 WeakPolarHBondContact O-CB 3.48Å; L208-S212 PolarHBondContact O-N 2.75Å; L208-S212 PolarHBondContact O-OG 2.93Å; L209-S212 WeakPolarHBondContact CA-OG 3.48Å; L209-S212 PolarHBondContact O-OG 3.44Å; S212-A214 VanDerWaalsContact C-N 3.33Å; S212-W220 VanDerWaalsContact CB-CZ2 3.43Å |
| 213 | A | 81.6 | Confident | 81.2 | Confident | 85 Ų | 85 | 40.3 Ų | 40.3 | 70% | 0.702 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L209 V211 | L209-A213 VanDerWaalsContact O-CB 3.25Å; L209-A213 WeakPolarHBondContact O-CB 3.26Å; L209-A213 PolarHBondContact O-N 3.26Å; L209-A213 VanDerWaalsContact O-N 3.13Å; V211-A213 VanDerWaalsContact C-N 3.27Å; V211-A213 PolarHBondContact O-N 3.36Å |
| 214 | A | 78.4 | Confident | 81 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 22% | 0.223 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | -15 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S174 C177 L210 V211 S212 | S174-A214 WeakPolarHBondContact CB-O 3.21Å; C177-A214 HydrophobicContact CB-CB 4.1Å; L210-A214 VanDerWaalsContact O-CB 3.25Å; L210-A214 WeakPolarHBondContact O-CB 3.38Å; L210-A214 PolarHBondContact O-N 3.38Å; V211-A214 PolarHBondContact O-N 3.19Å; S212-A214 VanDerWaalsContact C-N 3.33Å |
| 215 | A | 72.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | trans | -146.7 | 74.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L181 V211 D217 E218 | L181-A215 HydrophobicContact CD1-CB 4.3Å; V211-A215 PolarHBondContact O-N 3.42Å; A215-D217 VanDerWaalsContact C-N 3.34Å; A215-E218 HydrophobicContact CB-CB 4.49Å; A215-E218 HydrophobicContact CB-CG 4.27Å | ||
| 216 | P | 65.4 | Low | 79.7 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -32.2 | -177.3 | 26.4 | -31.4 | 0 | 0 | 0 | 112.6 | L267 | P216-L267 WeakPolarHBondContact O-CD2 3.45Š|
| 217 | D | 60.5 | Low | 79.3 | Confident | 154 Ų | 154 | 45.6 Ų | 45.6 | 82% | 0.824 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 6.4 | -167.9 | -35.1 | -64.9 | 0 | 0 | 0 | 114.3 | A215 | A215-D217 VanDerWaalsContact C-N 3.34Š|
| 218 | E | 59.2 | Low | 79 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -101.9 | 154.5 | -175.3 | -66.7 | -169.9 | 163.8 | 0 | 0 | 113.2 | R178 L181 A215 W220 | R178-E218 WeakPolarHBondContact CD-OE1 3.43Å; R178-E218 WeakPolarHBondContact CG-OE1 3.36Å; R178-E218 WeakPolarHBondContact CG-OE2 3.48Å; L181-E218 HydrophobicContact CD1-CB 4.39Å; L181-E218 WeakPolarHBondContact CD1-OE2 3.47Å; A215-E218 HydrophobicContact CB-CB 4.49Å; A215-E218 HydrophobicContact CB-CG 4.27Å; E218-W220 PolarHBondContact O-N 3.35Å |
| 219 | H | 65.9 | Low | 79 | Confident | 145 Ų | 145 | 52.3 Ų | 52.3 | 67% | 0.671 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 25.8 | -177.6 | -64.1 | -81.3 | 0 | 0 | 0 | 116.7 | T221 D222 Q223 | H219-T221 PolarHBondContact O-N 3.24Å; H219-D222 HydrophobicContact CB-CB 4.5Å; H219-D222 IonicContact CE1-OD2 3.87Å; H219-D222 IonicContact CG-OD2 3.63Å; H219-D222 IonicContact ND1-OD2 2.77Å; H219-D222 PolarHBondContact ND1-OD2 3.04Å; H219-D222 PolarHBondContact O-N 3.32Å; H219-Q223 PolarHBondContact O-N 3.28Å |
| 220 | W | 79.8 | Confident | 79 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21.3 | 174.8 | 76 | -88.7 | 0 | 0 | 0 | 112.8 | L181 A186 L208 V211 S212 E218 D222 I224 L260 L264 L267 | L181-W220 HydrophobicContact CD1-CB 3.86Å; L181-W220 HydrophobicContact CD1-CG 4.47Å; L181-W220 HydrophobicContact CD2-CB 3.36Å; L181-W220 HydrophobicContact CD2-CG 4.39Å; L181-W220 HydrophobicContact CG-CB 4.24Å; A186-W220 HydrophobicContact CB-CB 4.36Å; A186-W220 HydrophobicContact CB-CE3 4.46Å; L208-W220 HydrophobicContact CD2-CZ3 4.42Å; V211-W220 HydrophobicContact CG1-CD2 4.42Å; V211-W220 HydrophobicContact CG1-CG 4.3Å; S212-W220 VanDerWaalsContact CB-CZ2 3.43Å; E218-W220 PolarHBondContact O-N 3.35Å; W220-D222 VanDerWaalsContact C-N 3.31Å; W220-I224 HydrophobicContact CE3-CD1 4.22Å; W220-I224 HydrophobicContact CZ3-CD1 3.78Å; W220-L260 HydrophobicContact CH2-CD1 4.41Å; W220-L264 HydrophobicContact CH2-CD2 3.36Å; W220-L264 HydrophobicContact CH2-CG 4.19Å; W220-L264 HydrophobicContact CZ2-CD2 3.92Å; W220-L264 HydrophobicContact CZ3-CD2 4.11Å; W220-L267 HydrophobicContact CZ2-CD1 3.93Å |
| 221 | T | 79 | Confident | 79.1 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -42.4 | 168.1 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | H219 Q223 I224 L225 L267 I271 | H219-T221 PolarHBondContact O-N 3.24Å; T221-Q223 VanDerWaalsContact C-N 3.31Å; T221-Q223 PolarHBondContact O-N 3.24Å; T221-I224 WeakPolarHBondContact O-CG1 3.42Å; T221-I224 PolarHBondContact O-N 3.04Å; T221-L225 WeakPolarHBondContact O-CG 3.48Å; T221-L225 PolarHBondContact O-N 3.26Å; T221-L267 HydrophobicContact CG2-CD1 3.46Å; T221-L267 VanDerWaalsContact CG2-CD1 3.46Å; T221-I271 HydrophobicContact CG2-CD1 3.98Å; T221-I271 HydrophobicContact CG2-CG2 4.13Å |
| 222 | D | 80 | Confident | 79.2 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -74.6 | -31.5 | -172.3 | -50.2 | -12.9 | 0 | 0 | 0 | 109.9 | H219 W220 I224 | H219-D222 HydrophobicContact CB-CB 4.5Å; H219-D222 IonicContact CE1-OD2 3.87Å; H219-D222 IonicContact CG-OD2 3.63Å; H219-D222 IonicContact ND1-OD2 2.77Å; H219-D222 PolarHBondContact ND1-OD2 3.04Å; H219-D222 PolarHBondContact O-N 3.32Å; W220-D222 VanDerWaalsContact C-N 3.31Å; D222-I224 PolarHBondContact O-N 2.74Å |
| 223 | Q | 82.2 | Confident | 79.6 | Confident | 39 Ų | 39 | 53.8 Ų | 53.8 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -25.5 | 168.7 | -69.8 | -171.5 | 13 | 0 | 0 | 113.8 | L181 N184 A186 N187 H219 T221 | L181-Q223 PolarHBondContact O-NE2 3.41Å; N184-Q223 WeakPolarHBondContact OD1-CG 3.08Å; N184-Q223 PolarHBondContact OD1-OE1 3.44Å; A186-Q223 HydrophobicContact CB-CB 4Å; N187-Q223 VanDerWaalsContact CA-O 3.27Å; N187-Q223 WeakPolarHBondContact CA-O 3.25Å; N187-Q223 HydrophobicContact CB-CB 4.1Å; N187-Q223 WeakPolarHBondContact CB-O 3.43Å; N187-Q223 PolarHBondContact ND2-O 3.24Å; H219-Q223 PolarHBondContact O-N 3.28Å; T221-Q223 VanDerWaalsContact C-N 3.31Å; T221-Q223 PolarHBondContact O-N 3.24Å |
| 224 | I | 85.5 | Confident | 80 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -106.7 | -17.5 | -176.6 | 64.8 | 169.6 | 0 | 0 | 0 | 114.2 | A186 A190 W220 T221 D222 T226 T227 F229 L264 I271 | A186-I224 HydrophobicContact CB-CG2 3.76Å; A186-I224 WeakPolarHBondContact O-CG2 3.37Å; A190-I224 HydrophobicContact CB-CB 3.94Å; A190-I224 HydrophobicContact CB-CG2 3.53Å; W220-I224 HydrophobicContact CE3-CD1 4.22Å; W220-I224 HydrophobicContact CZ3-CD1 3.78Å; T221-I224 WeakPolarHBondContact O-CG1 3.42Å; T221-I224 PolarHBondContact O-N 3.04Å; D222-I224 PolarHBondContact O-N 2.74Å; I224-T226 PolarHBondContact O-N 3.18Å; I224-T227 PolarHBondContact O-N 3.36Å; I224-T227 PolarHBondContact O-OG1 2.96Å; I224-F229 HydrophobicContact CB-CD1 4.43Å; I224-F229 HydrophobicContact CD1-CD1 3.97Å; I224-F229 HydrophobicContact CD1-CE1 4.01Å; I224-L264 HydrophobicContact CD1-CD2 4.35Å; I224-I271 HydrophobicContact CD1-CD1 3.77Å; I224-I271 HydrophobicContact CG1-CD1 4.04Å |
| 225 | L | 83.1 | Confident | 80.4 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -24.6 | 179 | -81.6 | 169.9 | 0 | 0 | 0 | 113.7 | T221 T227 L230 E270 I271 Q274 | T221-L225 WeakPolarHBondContact O-CG 3.48Å; T221-L225 PolarHBondContact O-N 3.26Å; L225-T227 VanDerWaalsContact C-N 3.27Å; L225-T227 PolarHBondContact O-N 3.12Å; L225-L230 HydrophobicContact CD2-CD1 4.06Å; L225-E270 HydrophobicContact CD1-CB 4.21Å; L225-E270 HydrophobicContact CD1-CG 4.34Å; L225-E270 HydrophobicContact CD2-CG 4.34Å; L225-I271 HydrophobicContact CD1-CB 4.47Å; L225-I271 HydrophobicContact CD2-CB 4.1Å; L225-I271 HydrophobicContact CD2-CG1 4.27Å; L225-I271 HydrophobicContact CG-CB 4.49Å; L225-Q274 HydrophobicContact CD2-CB 4.19Å; L225-Q274 HydrophobicContact CD2-CG 3.76Å |
| 226 | T | 76.6 | Confident | 81.1 | Confident | 111 Ų | 111 | 50 Ų | 50 | 68% | 0.681 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 17.6 | 178 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | I224 | I224-T226 PolarHBondContact O-N 3.18Š|
| 227 | T | 84.3 | Confident | 82.2 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 15% | 0.153 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -134.6 | 157.2 | -170.4 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | A190 E191 I224 L225 F229 | A190-T227 HydrophobicContact CB-CG2 4.22Å; A190-T227 WeakPolarHBondContact CB-OG1 3.36Å; E191-T227 HydrophobicContact CB-CG2 4.38Å; I224-T227 PolarHBondContact O-N 3.36Å; I224-T227 PolarHBondContact O-OG1 2.96Å; L225-T227 VanDerWaalsContact C-N 3.27Å; L225-T227 PolarHBondContact O-N 3.12Å; T227-F229 PolarHBondContact O-N 3.3Å; T227-F229 VanDerWaalsContact OG1-CB 3.25Å; T227-F229 WeakPolarHBondContact OG1-CB 3.28Å; T227-F229 PolarHBondContact OG1-N 2.94Å |
| 228 | E | 85.4 | Confident | 83.2 | Confident | 142 Ų | 142 | 43.9 Ų | 43.9 | 66% | 0.664 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 13.4 | 174.6 | -62.4 | -166.6 | 155.8 | 0 | 0 | 114.5 | P194 P231 K232 | P194-E228 HydrophobicContact CG-CB 3.92Å; E228-P231 WeakPolarHBondContact O-CD 3.38Å; E228-K232 PolarHBondContact O-N 3.03Å |
| 229 | F | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -47.9 | -178.5 | 176 | -107.8 | 0 | 0 | 0 | 113.4 | A190 Y193 L208 I224 T227 K232 L233 L260 | A190-F229 HydrophobicContact CB-CB 3.68Å; A190-F229 HydrophobicContact CB-CD1 4.46Å; A190-F229 HydrophobicContact CB-CD2 4.15Å; A190-F229 HydrophobicContact CB-CG 3.85Å; Y193-F229 AromaticContact CD1-CD2 3.66Å; Y193-F229 HydrophobicContact CD1-CD2 3.66Å; Y193-F229 AromaticContact CD1-CE2 3.91Å; Y193-F229 HydrophobicContact CD1-CE2 3.91Å; Y193-F229 HydrophobicContact CD2-CD2 4.24Å; Y193-F229 AromaticContact CD2-CE2 3.93Å; Y193-F229 HydrophobicContact CD2-CE2 3.93Å; Y193-F229 HydrophobicContact CE1-CD2 4.38Å; Y193-F229 HydrophobicContact CE1-CE2 4.26Å; Y193-F229 HydrophobicContact CE2-CE2 4.24Å; Y193-F229 AromaticContact CG-CD2 3.6Å; Y193-F229 HydrophobicContact CG-CD2 3.6Å; Y193-F229 AromaticContact CG-CE2 3.75Å; Y193-F229 HydrophobicContact CG-CE2 3.75Å; L208-F229 HydrophobicContact CD1-CE1 4.18Å; L208-F229 HydrophobicContact CD1-CE2 3.81Å; L208-F229 HydrophobicContact CD1-CZ 3.48Å; L208-F229 VanDerWaalsContact CD1-CZ 3.48Å; I224-F229 HydrophobicContact CB-CD1 4.43Å; I224-F229 HydrophobicContact CD1-CD1 3.97Å; I224-F229 HydrophobicContact CD1-CE1 4.01Å; T227-F229 PolarHBondContact O-N 3.3Å; T227-F229 VanDerWaalsContact OG1-CB 3.25Å; T227-F229 WeakPolarHBondContact OG1-CB 3.28Å; T227-F229 PolarHBondContact OG1-N 2.94Å; F229-K232 PolarHBondContact O-N 3.34Å; F229-L233 HydrophobicContact CE1-CD2 3.9Å; F229-L233 HydrophobicContact CZ-CB 4.41Å; F229-L233 HydrophobicContact CZ-CD1 4.16Å; F229-L233 HydrophobicContact CZ-CD2 4.02Å; F229-L233 HydrophobicContact CZ-CG 4.44Å; F229-L233 VanDerWaalsContact O-CB 3.3Å; F229-L233 WeakPolarHBondContact O-CB 3.32Å; F229-L233 PolarHBondContact O-N 3.31Å; F229-L260 HydrophobicContact CE1-CD2 4.41Å; F229-L260 HydrophobicContact CZ-CD2 3.78Å |
| 230 | L | 91.1 | Very high | 83.7 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | -176 | -59.4 | 177.2 | 0 | 0 | 0 | 113.2 | L225 K232 L233 M234 L264 I271 Q274 L275 | L225-L230 HydrophobicContact CD2-CD1 4.06Å; L230-K232 PolarHBondContact O-N 3.46Å; L230-L233 PolarHBondContact O-N 3.16Å; L230-M234 WeakPolarHBondContact O-CB 3.42Å; L230-M234 WeakPolarHBondContact O-CG 3.5Å; L230-M234 PolarHBondContact O-N 2.96Å; L230-L264 HydrophobicContact CD2-CD1 4.29Å; L230-I271 HydrophobicContact CD1-CD1 4.47Å; L230-I271 HydrophobicContact CD1-CG1 4.14Å; L230-I271 HydrophobicContact CD2-CD1 4.38Å; L230-I271 HydrophobicContact CD2-CG1 4.47Å; L230-Q274 HydrophobicContact CD1-CB 3.72Å; L230-L275 HydrophobicContact CD2-CD2 4.09Å |
| 231 | P | 89.3 | Confident | 82.7 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 38% | 0.377 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -53.4 | -48.2 | 169.9 | -23.1 | 26.6 | 0 | 0 | 0 | 113.3 | E228 M234 A235 | E228-P231 WeakPolarHBondContact O-CD 3.38Å; P231-M234 PolarHBondContact O-N 3.36Å; P231-A235 PolarHBondContact O-N 2.81Å; P231-A235 VanDerWaalsContact O-N 3.16Å |
| 232 | K | 89.4 | Confident | 81.6 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 27% | 0.265 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | -176.4 | -165.8 | 83.4 | 179.1 | -149 | 0 | 112 | Y193 P194 E228 F229 L230 M234 A235 D236 | Y193-K232 HydrophobicContact CD1-CB 3.87Å; Y193-K232 HydrophobicContact CD1-CG 3.73Å; Y193-K232 HydrophobicContact CE1-CB 3.96Å; Y193-K232 HydrophobicContact CE1-CG 3.65Å; P194-K232 HydrophobicContact CB-CD 4.19Å; P194-K232 HydrophobicContact CB-CG 4.43Å; P194-K232 HydrophobicContact CG-CB 4.49Å; P194-K232 PolarHBondContact O-NZ 3.3Å; E228-K232 PolarHBondContact O-N 3.03Å; F229-K232 PolarHBondContact O-N 3.34Å; L230-K232 PolarHBondContact O-N 3.46Å; K232-M234 VanDerWaalsContact C-N 3.3Å; K232-M234 PolarHBondContact O-N 3.48Å; K232-A235 WeakPolarHBondContact O-CB 3.45Å; K232-A235 PolarHBondContact O-N 3.44Å; K232-D236 PolarHBondContact O-N 3.07Å; K232-D236 VanDerWaalsContact O-N 3.09Å |
| 233 | L | 91.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 174.9 | -176.1 | 71.5 | 0 | 0 | 0 | 110.5 | V205 F229 L230 A235 D236 V237 A257 L260 L264 | V205-L233 HydrophobicContact CG2-CD1 4.22Å; F229-L233 HydrophobicContact CE1-CD2 3.9Å; F229-L233 HydrophobicContact CZ-CB 4.41Å; F229-L233 HydrophobicContact CZ-CD1 4.16Å; F229-L233 HydrophobicContact CZ-CD2 4.02Å; F229-L233 HydrophobicContact CZ-CG 4.44Å; F229-L233 VanDerWaalsContact O-CB 3.3Å; F229-L233 WeakPolarHBondContact O-CB 3.32Å; F229-L233 PolarHBondContact O-N 3.31Å; L230-L233 PolarHBondContact O-N 3.16Å; L233-A235 VanDerWaalsContact C-N 3.32Å; L233-A235 PolarHBondContact O-N 3.02Å; L233-D236 PolarHBondContact O-N 3.22Å; L233-V237 HydrophobicContact CG-CG2 4.48Å; L233-V237 WeakPolarHBondContact O-CB 3.31Å; L233-V237 VanDerWaalsContact O-CG2 3.24Å; L233-V237 WeakPolarHBondContact O-CG2 3.25Å; L233-V237 PolarHBondContact O-N 3.31Å; L233-A257 HydrophobicContact CD1-CB 3.77Å; L233-L260 HydrophobicContact CD1-CD2 4.26Å; L233-L260 HydrophobicContact CD2-CD2 4.39Å; L233-L264 HydrophobicContact CD2-CD1 3.86Å |
| 234 | M | 90.3 | Very high | 79 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -32.6 | 178.1 | -75.1 | -55.8 | -56.1 | 0 | 0 | 113.3 | L230 P231 K232 K238 L261 L275 H278 A280 | L230-M234 WeakPolarHBondContact O-CB 3.42Å; L230-M234 WeakPolarHBondContact O-CG 3.5Å; L230-M234 PolarHBondContact O-N 2.96Å; P231-M234 PolarHBondContact O-N 3.36Å; K232-M234 VanDerWaalsContact C-N 3.3Å; K232-M234 PolarHBondContact O-N 3.48Å; M234-K238 WeakPolarHBondContact O-CB 3.22Å; M234-K238 WeakPolarHBondContact O-CD 3.46Å; M234-K238 VanDerWaalsContact O-CG 3.25Å; M234-K238 WeakPolarHBondContact O-CG 3.45Å; M234-K238 PolarHBondContact O-N 3.39Å; M234-L261 HydrophobicContact CE-CD2 4.44Å; M234-L261 HydrophobicContact SD-CD1 3.98Å; M234-L261 HydrophobicContact SD-CD2 3.97Å; M234-L275 HydrophobicContact CG-CD2 4.24Å; M234-L275 HydrophobicContact SD-CD2 4.06Å; M234-H278 HydrophobicContact CB-CB 4.22Å; M234-H278 HydrophobicContact CG-CB 3.83Å; M234-A280 HydrophobicContact CE-CB 4.01Å; M234-A280 HydrophobicContact SD-CB 4.21Å |
| 235 | A | 86.6 | Confident | 77.3 | Confident | 34 Ų | 34 | 53 Ų | 53 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P231 K232 L233 V237 K238 G239 D240 | P231-A235 PolarHBondContact O-N 2.81Å; P231-A235 VanDerWaalsContact O-N 3.16Å; K232-A235 WeakPolarHBondContact O-CB 3.45Å; K232-A235 PolarHBondContact O-N 3.44Å; L233-A235 VanDerWaalsContact C-N 3.32Å; L233-A235 PolarHBondContact O-N 3.02Å; A235-V237 VanDerWaalsContact C-N 3.32Å; A235-V237 PolarHBondContact O-N 3.34Å; A235-K238 PolarHBondContact O-N 3.41Å; A235-G239 PolarHBondContact O-N 3.2Å; A235-D240 PolarHBondContact O-N 2.89Å; A235-D240 VanDerWaalsContact O-N 3.08Å |
| 236 | D | 87.3 | Confident | 75.9 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.011 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 176.1 | -71 | -43.4 | 0 | 0 | 0 | 112.6 | Y193 R201 K232 L233 L253 A257 | Y193-D236 WeakPolarHBondContact CE1-OD2 3.27Å; Y193-D236 PolarHBondContact OH-OD2 3.47Å; R201-D236 IonicContact CZ-OD1 2.7Å; R201-D236 IonicContact CZ-OD2 2.75Å; R201-D236 IonicContact NH1-OD1 3.54Å; R201-D236 PolarHBondContact NH1-OD1 2.75Å; R201-D236 IonicContact NH1-OD2 2.76Å; R201-D236 PolarHBondContact NH1-OD2 2.93Å; R201-D236 IonicContact NH2-OD1 3.52Å; K232-D236 PolarHBondContact O-N 3.07Å; K232-D236 VanDerWaalsContact O-N 3.09Å; L233-D236 PolarHBondContact O-N 3.22Å; D236-L253 HydrophobicContact CB-CG 4.48Å; D236-A257 HydrophobicContact CB-CB 4.29Å |
| 237 | V | 88 | Confident | 75.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 174.9 | 165.6 | 0 | 0 | 0 | 0 | 111.5 | L233 A235 K254 A257 Q258 L261 Y283 | L233-V237 HydrophobicContact CG-CG2 4.48Å; L233-V237 WeakPolarHBondContact O-CB 3.31Å; L233-V237 VanDerWaalsContact O-CG2 3.24Å; L233-V237 WeakPolarHBondContact O-CG2 3.25Å; L233-V237 PolarHBondContact O-N 3.31Å; A235-V237 VanDerWaalsContact C-N 3.32Å; A235-V237 PolarHBondContact O-N 3.34Å; V237-K254 WeakPolarHBondContact O-CE 3.41Å; V237-A257 HydrophobicContact CG2-CB 3.67Å; V237-Q258 HydrophobicContact CG1-CG 4.46Å; V237-L261 HydrophobicContact CG1-CD2 3.81Å; V237-L261 HydrophobicContact CG2-CB 4.36Å; V237-L261 HydrophobicContact CG2-CD2 4.47Å; V237-Y283 HydrophobicContact CG1-CD1 3.64Å; V237-Y283 HydrophobicContact CG1-CD2 4.05Å; V237-Y283 HydrophobicContact CG1-CE1 3.22Å; V237-Y283 HydrophobicContact CG1-CE2 3.66Å; V237-Y283 HydrophobicContact CG1-CG 4.02Å; V237-Y283 WeakPolarHBondContact CG1-OH 3.38Å; V237-Y283 VanDerWaalsContact O-CE2 3.24Å; V237-Y283 WeakPolarHBondContact O-CE2 3.29Å; V237-Y283 VanDerWaalsContact O-CZ 3.3Å; V237-Y283 PolarHBondContact O-OH 3.18Å |
| 238 | K | 82.5 | Confident | 74.5 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 175.2 | -75.6 | 166.5 | -178.3 | 171.9 | 0 | 110.6 | M234 A235 D240 K254 H278 G279 Y283 | M234-K238 WeakPolarHBondContact O-CB 3.22Å; M234-K238 WeakPolarHBondContact O-CD 3.46Å; M234-K238 VanDerWaalsContact O-CG 3.25Å; M234-K238 WeakPolarHBondContact O-CG 3.45Å; M234-K238 PolarHBondContact O-N 3.39Å; A235-K238 PolarHBondContact O-N 3.41Å; K238-D240 WeakPolarHBondContact CB-OD2 3.4Å; K238-K254 PolarHBondContact O-NZ 2.83Å; K238-H278 PolarHBondContact NZ-O 2.96Å; K238-G279 PolarHBondContact NZ-O 3.06Å; K238-Y283 HydrophobicContact CG-CD2 3.82Å; K238-Y283 HydrophobicContact CG-CE2 4.31Å |
| 239 | G | 74.3 | Confident | 73.7 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 24% | 0.237 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 118.5 | 14.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A235 C241 F250 | A235-G239 PolarHBondContact O-N 3.2Å; G239-C241 PolarHBondContact O-N 3.21Å; G239-F250 VanDerWaalsContact O-CE1 3.29Å; G239-F250 WeakPolarHBondContact O-CE1 3.4Å |
| 240 | D | 61 | Low | 72.9 | Confident | 108 Ų | 108 | 58.3 Ų | 58.3 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | trans | -85.3 | 90.5 | -174.3 | -54.6 | -58.1 | 0 | 0 | 0 | 109.3 | A235 K238 P242 | A235-D240 PolarHBondContact O-N 2.89Å; A235-D240 VanDerWaalsContact O-N 3.08Å; K238-D240 WeakPolarHBondContact CB-OD2 3.4Å; D240-P242 WeakPolarHBondContact O-CD 3.42Å | ||
| 241 | C | 58.7 | Low | 72.5 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | trans | -89.7 | 101.9 | 174.8 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | G239 S243 F250 | G239-C241 PolarHBondContact O-N 3.21Å; C241-S243 PolarHBondContact O-N 3.38Å; C241-S243 VanDerWaalsContact O-N 3.1Å; C241-F250 HydrophobicContact CB-CD1 4.23Å; C241-F250 HydrophobicContact CB-CD2 3.97Å; C241-F250 HydrophobicContact CB-CE1 4.01Å; C241-F250 HydrophobicContact CB-CE2 3.74Å; C241-F250 HydrophobicContact CB-CG 4.22Å; C241-F250 HydrophobicContact CB-CZ 3.76Å | ||
| 242 | P | 54.9 | Low | 72.3 | Confident | 110 Ų | 110 | 61 Ų | 61 | 71% | 0.714 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -6.3 | -176.4 | 30.4 | -37.6 | 0 | 0 | 0 | 113.9 | D240 | D240-P242 WeakPolarHBondContact O-CD 3.42Š|
| 243 | S | 54.8 | Low | 72.3 | Confident | 97 Ų | 97 | 58.1 Ų | 58.1 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -13.4 | -164.4 | -48.6 | 0 | 0 | 0 | 0 | 115.1 | C241 | C241-S243 PolarHBondContact O-N 3.38Å; C241-S243 VanDerWaalsContact O-N 3.1Å |
| 244 | C | 52.7 | Low | 72 | Confident | 53 Ų | 53 | 61 Ų | 61 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | trans | -165.9 | 119.5 | -178.7 | 22.4 | 0 | 0 | 0 | 0 | 114.5 | N246 C247 | C244-N246 VanDerWaalsContact C-N 3.28Å; C244-N246 PolarHBondContact O-N 3.18Å; C244-C247 HydrophobicContact CB-CB 4.02Å | ||
| 245 | S | 50.4 | Low | 71.9 | Confident | 122 Ų | 122 | 68.1 Ų | 68.1 | 85% | 0.853 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.4 | 172.6 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 246 | N | 54.1 | Low | 72 | Confident | 153 Ų | 153 | 67 Ų | 67 | 82% | 0.818 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 30.3 | -175.3 | -83.7 | -36.7 | 0 | 0 | 0 | 113.7 | C244 S248 | C244-N246 VanDerWaalsContact C-N 3.28Å; C244-N246 PolarHBondContact O-N 3.18Å; N246-S248 PolarHBondContact O-N 2.73Å |
| 247 | C | 65.8 | Low | 72.1 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | trans | -74.2 | 95 | 179.8 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | C244 R249 F250 P251 | C244-C247 HydrophobicContact CB-CB 4.02Å; C247-R249 PolarHBondContact O-N 2.65Å; C247-F250 HydrophobicContact CB-CB 3.84Å; C247-F250 WeakPolarHBondContact O-CB 3.4Å; C247-F250 PolarHBondContact O-N 3.48Å; C247-P251 WeakPolarHBondContact O-CD 3.5Å | ||
| 248 | S | 66 | Low | 72.2 | Confident | 107 Ų | 107 | 68.7 Ų | 68.7 | 75% | 0.748 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20.3 | 179.1 | 60.4 | 0 | 0 | 0 | 0 | 115.2 | N246 | N246-S248 PolarHBondContact O-N 2.73Š|
| 249 | R | 68.4 | Low | 72.5 | Confident | 122 Ų | 122 | 72.5 Ų | 72.5 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -16.6 | 178.4 | -66.4 | 170.1 | 172.8 | 175.2 | -17.2 | 114.1 | E199 C247 P251 S252 L253 | E199-R249 IonicContact OE2-CZ 3.46Å; E199-R249 IonicContact OE2-NH1 2.9Å; E199-R249 PolarHBondContact OE2-NH1 2.63Å; E199-R249 IonicContact OE2-NH2 3.17Å; E199-R249 PolarHBondContact OE2-NH2 2.98Å; E199-R249 VanDerWaalsContact OE2-NH2 3.1Å; C247-R249 PolarHBondContact O-N 2.65Å; R249-P251 VanDerWaalsContact C-CD 3.49Å; R249-S252 WeakPolarHBondContact O-CA 3.48Å; R249-S252 WeakPolarHBondContact O-CB 3.4Å; R249-S252 PolarHBondContact O-N 2.86Å; R249-L253 PolarHBondContact O-N 2.75Å; R249-L253 VanDerWaalsContact O-N 3.12Å |
| 250 | F | 74.4 | Confident | 73.3 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.7 | -35.1 | 179.8 | -170.2 | -105.6 | 0 | 0 | 0 | 113.7 | G239 C241 C247 S252 L253 K254 | G239-F250 VanDerWaalsContact O-CE1 3.29Å; G239-F250 WeakPolarHBondContact O-CE1 3.4Å; C241-F250 HydrophobicContact CB-CD1 4.23Å; C241-F250 HydrophobicContact CB-CD2 3.97Å; C241-F250 HydrophobicContact CB-CE1 4.01Å; C241-F250 HydrophobicContact CB-CE2 3.74Å; C241-F250 HydrophobicContact CB-CG 4.22Å; C241-F250 HydrophobicContact CB-CZ 3.76Å; C247-F250 HydrophobicContact CB-CB 3.84Å; C247-F250 WeakPolarHBondContact O-CB 3.4Å; C247-F250 PolarHBondContact O-N 3.48Å; F250-S252 PolarHBondContact O-N 2.83Å; F250-L253 HydrophobicContact CD2-CB 4.47Å; F250-L253 HydrophobicContact CD2-CD2 4.02Å; F250-L253 HydrophobicContact CE2-CD2 4.14Å; F250-L253 PolarHBondContact O-N 2.66Å; F250-K254 WeakPolarHBondContact O-CB 3.42Å; F250-K254 PolarHBondContact O-N 3.03Å |
| 251 | P | 81.8 | Confident | 74.7 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -19.3 | 170.3 | -25.4 | 35.9 | 0 | 0 | 0 | 114.9 | C247 R249 R255 | C247-P251 WeakPolarHBondContact O-CD 3.5Å; R249-P251 VanDerWaalsContact C-CD 3.49Å; P251-R255 WeakPolarHBondContact O-CG 3.33Å; P251-R255 PolarHBondContact O-NE 2.91Å |
| 252 | S | 86.1 | Confident | 76 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -86.2 | -42.8 | 171.9 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | R249 F250 R255 A256 | R249-S252 WeakPolarHBondContact O-CA 3.48Å; R249-S252 WeakPolarHBondContact O-CB 3.4Å; R249-S252 PolarHBondContact O-N 2.86Å; F250-S252 PolarHBondContact O-N 2.83Å; S252-R255 PolarHBondContact O-N 3.24Å; S252-A256 PolarHBondContact O-N 2.92Å |
| 253 | L | 88.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.3 | -51.6 | 172.8 | 176.3 | 57.4 | 0 | 0 | 0 | 111.4 | C198 R201 L202 V205 D236 R249 F250 R255 A256 A257 | C198-L253 HydrophobicContact CB-CD2 4.27Å; R201-L253 HydrophobicContact CB-CD1 4.01Å; R201-L253 HydrophobicContact CB-CD2 4.14Å; L202-L253 HydrophobicContact CB-CD1 4.33Å; V205-L253 HydrophobicContact CG2-CD1 4.48Å; D236-L253 HydrophobicContact CB-CG 4.48Å; R249-L253 PolarHBondContact O-N 2.75Å; R249-L253 VanDerWaalsContact O-N 3.12Å; F250-L253 HydrophobicContact CD2-CB 4.47Å; F250-L253 HydrophobicContact CD2-CD2 4.02Å; F250-L253 HydrophobicContact CE2-CD2 4.14Å; F250-L253 PolarHBondContact O-N 2.66Å; L253-R255 VanDerWaalsContact C-N 3.32Å; L253-R255 PolarHBondContact O-N 3.02Å; L253-A256 PolarHBondContact O-N 3.18Å; L253-A256 VanDerWaalsContact O-N 3.12Å; L253-A257 WeakPolarHBondContact O-CB 3.2Å; L253-A257 PolarHBondContact O-N 3.22Å |
| 254 | K | 86.5 | Confident | 79 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 26% | 0.261 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 178.5 | 177.3 | 159.8 | 172.8 | 165.9 | 0 | 112.6 | V237 K238 F250 A257 Q258 | V237-K254 WeakPolarHBondContact O-CE 3.41Å; K238-K254 PolarHBondContact O-NZ 2.83Å; F250-K254 WeakPolarHBondContact O-CB 3.42Å; F250-K254 PolarHBondContact O-N 3.03Å; K254-A257 PolarHBondContact O-N 3.04Å; K254-Q258 WeakPolarHBondContact O-CB 3.49Å; K254-Q258 WeakPolarHBondContact O-CG 3.41Å; K254-Q258 PolarHBondContact O-N 3.41Å |
| 255 | R | 86.6 | Confident | 80.5 | Confident | 153 Ų | 153 | 54.4 Ų | 54.4 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68 | -37 | 175.8 | -82.2 | -177.6 | -73.8 | 177.4 | -3.7 | 113.1 | P251 S252 L253 R259 | P251-R255 WeakPolarHBondContact O-CG 3.33Å; P251-R255 PolarHBondContact O-NE 2.91Å; S252-R255 PolarHBondContact O-N 3.24Å; L253-R255 VanDerWaalsContact C-N 3.32Å; L253-R255 PolarHBondContact O-N 3.02Å; R255-R259 WeakPolarHBondContact O-CG 3.29Å; R255-R259 PolarHBondContact O-N 2.97Å |
| 256 | A | 89.3 | Confident | 81.9 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -46.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | L202 V205 L209 S252 L253 Q258 R259 L260 | L202-A256 HydrophobicContact CD1-CB 3.71Å; V205-A256 HydrophobicContact CB-CB 4.39Å; V205-A256 VanDerWaalsContact CG1-C 3.44Å; V205-A256 HydrophobicContact CG1-CB 3.64Å; V205-A256 WeakPolarHBondContact CG1-O 3.35Å; L209-A256 HydrophobicContact CD1-CB 4.46Å; S252-A256 PolarHBondContact O-N 2.92Å; L253-A256 PolarHBondContact O-N 3.18Å; L253-A256 VanDerWaalsContact O-N 3.12Å; A256-Q258 PolarHBondContact O-N 3.01Å; A256-R259 WeakPolarHBondContact O-CB 3.49Å; A256-R259 PolarHBondContact O-N 2.81Å; A256-L260 PolarHBondContact O-N 3.33Å |
| 257 | A | 90.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -40 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L233 D236 V237 L253 K254 R259 L260 L261 | L233-A257 HydrophobicContact CD1-CB 3.77Å; D236-A257 HydrophobicContact CB-CB 4.29Å; V237-A257 HydrophobicContact CG2-CB 3.67Å; L253-A257 WeakPolarHBondContact O-CB 3.2Å; L253-A257 PolarHBondContact O-N 3.22Å; K254-A257 PolarHBondContact O-N 3.04Å; A257-R259 VanDerWaalsContact C-N 3.33Å; A257-R259 PolarHBondContact O-N 2.85Å; A257-L260 PolarHBondContact O-N 3.19Å; A257-L261 PolarHBondContact O-N 2.69Å |
| 258 | Q | 88.9 | Confident | 83.4 | Confident | 38 Ų | 38 | 54 Ų | 54 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 170.8 | -80.1 | 173.2 | -30.4 | 0 | 0 | 112.8 | V237 K254 A256 L262 Y283 | V237-Q258 HydrophobicContact CG1-CG 4.46Å; K254-Q258 WeakPolarHBondContact O-CB 3.49Å; K254-Q258 WeakPolarHBondContact O-CG 3.41Å; K254-Q258 PolarHBondContact O-N 3.41Å; A256-Q258 PolarHBondContact O-N 3.01Å; Q258-L262 WeakPolarHBondContact O-CG 3.49Å; Q258-L262 PolarHBondContact O-N 2.79Å; Q258-L262 VanDerWaalsContact O-N 3.09Å; Q258-Y283 WeakPolarHBondContact CG-OH 3.34Å; Q258-Y283 PolarHBondContact NE2-OH 3.16Å |
| 259 | R | 89 | Confident | 84 | Confident | 161 Ų | 161 | 50.2 Ų | 50.2 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68.7 | -38.3 | 176.2 | -72 | 178.1 | 69.5 | 176.1 | 2.5 | 111.5 | L209 R255 A256 A257 L262 A263 | L209-R259 HydrophobicContact CD1-CB 4.19Å; L209-R259 HydrophobicContact CD2-CB 3.92Å; R255-R259 WeakPolarHBondContact O-CG 3.29Å; R255-R259 PolarHBondContact O-N 2.97Å; A256-R259 WeakPolarHBondContact O-CB 3.49Å; A256-R259 PolarHBondContact O-N 2.81Å; A257-R259 VanDerWaalsContact C-N 3.33Å; A257-R259 PolarHBondContact O-N 2.85Å; R259-L262 PolarHBondContact O-N 3.3Å; R259-A263 PolarHBondContact O-N 3.12Å |
| 260 | L | 90.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.7 | -39.3 | 178.2 | -174.1 | 61.5 | 0 | 0 | 0 | 111.4 | V205 L208 L209 W220 F229 L233 A256 A257 L262 A263 L264 | V205-L260 HydrophobicContact CB-CD2 4.47Å; V205-L260 HydrophobicContact CG1-CB 3.99Å; V205-L260 HydrophobicContact CG1-CD2 4.03Å; V205-L260 HydrophobicContact CG2-CD2 4.28Å; L208-L260 HydrophobicContact CB-CD1 4Å; L208-L260 HydrophobicContact CB-CD2 3.83Å; L208-L260 HydrophobicContact CD1-CD2 4.11Å; L209-L260 HydrophobicContact CD2-CB 4.11Å; L209-L260 HydrophobicContact CD2-CD1 4.24Å; L209-L260 HydrophobicContact CG-CB 4.14Å; L209-L260 HydrophobicContact CG-CD1 4.24Å; W220-L260 HydrophobicContact CH2-CD1 4.41Å; F229-L260 HydrophobicContact CE1-CD2 4.41Å; F229-L260 HydrophobicContact CZ-CD2 3.78Å; L233-L260 HydrophobicContact CD1-CD2 4.26Å; L233-L260 HydrophobicContact CD2-CD2 4.39Å; A256-L260 PolarHBondContact O-N 3.33Å; A257-L260 PolarHBondContact O-N 3.19Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L260-L262 PolarHBondContact O-N 3.02Å; L260-A263 WeakPolarHBondContact O-CB 3.24Å; L260-A263 PolarHBondContact O-N 3.25Å; L260-A263 VanDerWaalsContact O-N 3.16Å; L260-L264 HydrophobicContact CG-CD1 4.3Å; L260-L264 WeakPolarHBondContact O-CG 3.4Å; L260-L264 PolarHBondContact O-N 2.97Å |
| 261 | L | 90.5 | Very high | 85.2 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 170.6 | 178 | 62.2 | 0 | 0 | 0 | 111.2 | M234 V237 A257 A263 L264 L265 L275 Y283 | M234-L261 HydrophobicContact CE-CD2 4.44Å; M234-L261 HydrophobicContact SD-CD1 3.98Å; M234-L261 HydrophobicContact SD-CD2 3.97Å; V237-L261 HydrophobicContact CG1-CD2 3.81Å; V237-L261 HydrophobicContact CG2-CB 4.36Å; V237-L261 HydrophobicContact CG2-CD2 4.47Å; A257-L261 PolarHBondContact O-N 2.69Å; L261-A263 PolarHBondContact O-N 3.32Å; L261-L264 PolarHBondContact O-N 2.97Å; L261-L265 HydrophobicContact CD1-CD1 3.98Å; L261-L265 HydrophobicContact CD1-CD2 4.28Å; L261-L265 HydrophobicContact CD1-CG 3.88Å; L261-L265 HydrophobicContact CD2-CD1 4.49Å; L261-L265 HydrophobicContact CG-CD1 3.9Å; L261-L265 HydrophobicContact CG-CG 4.21Å; L261-L265 WeakPolarHBondContact O-CB 3.3Å; L261-L265 VanDerWaalsContact O-CG 3.29Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 3.37Å; L261-L275 HydrophobicContact CD1-CD1 3.85Å; L261-L275 HydrophobicContact CD1-CD2 3.7Å; L261-L275 HydrophobicContact CD1-CG 4.32Å; L261-Y283 HydrophobicContact CD2-CD1 4.09Å; L261-Y283 HydrophobicContact CD2-CE1 4.43Å |
| 262 | L | 86.3 | Confident | 85.3 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.7 | -17.5 | 177.8 | -73.6 | 169.1 | 0 | 0 | 0 | 114.3 | Q258 R259 L260 R266 F298 A301 | Q258-L262 WeakPolarHBondContact O-CG 3.49Å; Q258-L262 PolarHBondContact O-N 2.79Å; Q258-L262 VanDerWaalsContact O-N 3.09Å; R259-L262 PolarHBondContact O-N 3.3Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L260-L262 PolarHBondContact O-N 3.02Å; L262-R266 WeakPolarHBondContact O-CG 3.42Å; L262-R266 PolarHBondContact O-NE 3.45Å; L262-R266 VanDerWaalsContact O-NE 3.15Å; L262-F298 HydrophobicContact CD1-CE1 3.94Å; L262-F298 HydrophobicContact CD1-CZ 4.46Å; L262-F298 HydrophobicContact CD2-CD1 4.06Å; L262-F298 HydrophobicContact CD2-CE1 4.15Å; L262-F298 HydrophobicContact CG-CE1 4.42Å; L262-A301 HydrophobicContact CD2-CB 3.95Å |
| 263 | A | 86 | Confident | 85.3 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.3 | -48.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R259 L260 L261 L265 R266 | R259-A263 PolarHBondContact O-N 3.12Å; L260-A263 WeakPolarHBondContact O-CB 3.24Å; L260-A263 PolarHBondContact O-N 3.25Å; L260-A263 VanDerWaalsContact O-N 3.16Å; L261-A263 PolarHBondContact O-N 3.32Å; A263-L265 VanDerWaalsContact C-N 3.34Å; A263-L265 PolarHBondContact O-N 3.17Å; A263-R266 WeakPolarHBondContact O-CB 3.09Å; A263-R266 PolarHBondContact O-N 2.95Å |
| 264 | L | 87 | Confident | 85.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -38.3 | 177.6 | -73.6 | 170 | 0 | 0 | 0 | 113.4 | W220 I224 L230 L233 L260 L261 R266 L267 I271 L275 | W220-L264 HydrophobicContact CH2-CD2 3.36Å; W220-L264 HydrophobicContact CH2-CG 4.19Å; W220-L264 HydrophobicContact CZ2-CD2 3.92Å; W220-L264 HydrophobicContact CZ3-CD2 4.11Å; I224-L264 HydrophobicContact CD1-CD2 4.35Å; L230-L264 HydrophobicContact CD2-CD1 4.29Å; L233-L264 HydrophobicContact CD2-CD1 3.86Å; L260-L264 HydrophobicContact CG-CD1 4.3Å; L260-L264 WeakPolarHBondContact O-CG 3.4Å; L260-L264 PolarHBondContact O-N 2.97Å; L261-L264 PolarHBondContact O-N 2.97Å; L264-R266 PolarHBondContact O-N 3.01Å; L264-L267 HydrophobicContact CD2-CD1 4.5Å; L264-L267 WeakPolarHBondContact O-CB 3.26Å; L264-L267 PolarHBondContact O-N 3.1Å; L264-I271 HydrophobicContact CD2-CD1 3.61Å; L264-I271 HydrophobicContact CD2-CG1 4.3Å; L264-L275 HydrophobicContact CB-CD1 3.81Å; L264-L275 HydrophobicContact CD1-CD1 4.42Å |
| 265 | L | 85 | Confident | 85.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -6.6 | 179.6 | -68.6 | 179.4 | 0 | 0 | 0 | 114.7 | L261 A263 K272 L275 V284 A301 S304 F305 | L261-L265 HydrophobicContact CD1-CD1 3.98Å; L261-L265 HydrophobicContact CD1-CD2 4.28Å; L261-L265 HydrophobicContact CD1-CG 3.88Å; L261-L265 HydrophobicContact CD2-CD1 4.49Å; L261-L265 HydrophobicContact CG-CD1 3.9Å; L261-L265 HydrophobicContact CG-CG 4.21Å; L261-L265 WeakPolarHBondContact O-CB 3.3Å; L261-L265 VanDerWaalsContact O-CG 3.29Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 3.37Å; A263-L265 VanDerWaalsContact C-N 3.34Å; A263-L265 PolarHBondContact O-N 3.17Å; L265-K272 WeakPolarHBondContact O-CE 3.16Å; L265-L275 HydrophobicContact CD2-CB 4.31Å; L265-L275 HydrophobicContact CD2-CD1 3.8Å; L265-L275 HydrophobicContact CG-CD1 4.41Å; L265-V284 HydrophobicContact CD1-CG2 3.78Å; L265-A301 HydrophobicContact CD1-CB 4.35Å; L265-S304 PolarHBondContact O-OG 2.87Å; L265-S304 VanDerWaalsContact O-OG 3.05Å; L265-F305 HydrophobicContact CD1-CE2 4.26Å; L265-F305 HydrophobicContact CD1-CZ 4.03Å; L265-F305 HydrophobicContact CD2-CE1 3.56Å; L265-F305 HydrophobicContact CD2-CE2 4.19Å; L265-F305 HydrophobicContact CD2-CZ 3.31Å; L265-F305 HydrophobicContact CG-CZ 4.31Å |
| 266 | R | 79.8 | Confident | 85.5 | Confident | 175 Ų | 175 | 35 Ų | 35 | 66% | 0.66 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.7 | 170.3 | -61 | 172.9 | -170 | -155.1 | -2.6 | 112.6 | L262 A263 L264 E297 | L262-R266 WeakPolarHBondContact O-CG 3.42Å; L262-R266 PolarHBondContact O-NE 3.45Å; L262-R266 VanDerWaalsContact O-NE 3.15Å; A263-R266 WeakPolarHBondContact O-CB 3.09Å; A263-R266 PolarHBondContact O-N 2.95Å; L264-R266 PolarHBondContact O-N 3.01Å; R266-E297 IonicContact NH2-OE1 3.67Å |
| 267 | L | 78.5 | Confident | 85.4 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -95.6 | 147.5 | 175.2 | -48.5 | 178.6 | 0 | 0 | 0 | 108.9 | P216 W220 T221 L264 I271 K272 | P216-L267 WeakPolarHBondContact O-CD2 3.45Å; W220-L267 HydrophobicContact CZ2-CD1 3.93Å; T221-L267 HydrophobicContact CG2-CD1 3.46Å; T221-L267 VanDerWaalsContact CG2-CD1 3.46Å; L264-L267 HydrophobicContact CD2-CD1 4.5Å; L264-L267 WeakPolarHBondContact O-CB 3.26Å; L264-L267 PolarHBondContact O-N 3.1Å; L267-I271 HydrophobicContact CB-CG2 4.34Å; L267-K272 WeakPolarHBondContact O-CE 3.48Å; L267-K272 PolarHBondContact O-NZ 2.93Å |
| 268 | D | 72.6 | Confident | 85.3 | Confident | 91 Ų | 91 | 41.6 Ų | 41.6 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | trans | -102.3 | -179.7 | 178.4 | -81.3 | -72.1 | 0 | 0 | 0 | 112 | K272 S307 | D268-K272 VanDerWaalsContact CG-NZ 3.27Å; D268-K272 IonicContact OD1-NZ 3.32Å; D268-K272 PolarHBondContact OD1-NZ 3.15Å; D268-K272 IonicContact OD2-NZ 3.87Å; D268-K272 PolarHBondContact OD2-NZ 3.47Å; D268-S307 WeakPolarHBondContact OD1-CB 3.39Å; D268-S307 PolarHBondContact OD1-OG 3.11Å | ||
| 269 | G | 77.2 | Confident | 85.3 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 80.5 | -159.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I271 K272 I273 E308 | G269-I271 PolarHBondContact O-N 3.43Å; G269-K272 WeakPolarHBondContact O-CB 3.4Å; G269-K272 PolarHBondContact O-N 2.9Å; G269-I273 PolarHBondContact O-N 2.88Å; G269-E308 WeakPolarHBondContact CA-OE1 3.39Å; G269-E308 PolarHBondContact N-OE1 3.09Å |
| 270 | E | 83.6 | Confident | 85.4 | Confident | 80 Ų | 80 | 32.6 Ų | 32.6 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.7 | -27 | -165.5 | -176.7 | 56.7 | -156.6 | 0 | 0 | 113.9 | L225 K272 I273 Q274 K277 | L225-E270 HydrophobicContact CD1-CB 4.21Å; L225-E270 HydrophobicContact CD1-CG 4.34Å; L225-E270 HydrophobicContact CD2-CG 4.34Å; E270-K272 PolarHBondContact O-N 2.87Å; E270-I273 CarbonylContact O-C 3.59Å; E270-I273 WeakPolarHBondContact O-CB 3.49Å; E270-I273 PolarHBondContact O-N 3.44Å; E270-Q274 HydrophobicContact CG-CG 4.15Å; E270-Q274 WeakPolarHBondContact O-CG 3.35Å; E270-Q274 PolarHBondContact O-N 3.41Å; E270-Q274 WeakPolarHBondContact OE1-CG 3.49Å; E270-Q274 PolarHBondContact OE1-NE2 3.1Å; E270-K277 IonicContact OE1-NZ 3.23Å; E270-K277 PolarHBondContact OE1-NZ 3Å |
| 271 | I | 85.7 | Confident | 85.3 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.1 | -33.2 | 176.6 | -163.1 | 150.1 | 0 | 0 | 0 | 113.4 | T221 I224 L225 L230 L264 L267 G269 I273 L275 | T221-I271 HydrophobicContact CG2-CD1 3.98Å; T221-I271 HydrophobicContact CG2-CG2 4.13Å; I224-I271 HydrophobicContact CD1-CD1 3.77Å; I224-I271 HydrophobicContact CG1-CD1 4.04Å; L225-I271 HydrophobicContact CD1-CB 4.47Å; L225-I271 HydrophobicContact CD2-CB 4.1Å; L225-I271 HydrophobicContact CD2-CG1 4.27Å; L225-I271 HydrophobicContact CG-CB 4.49Å; L230-I271 HydrophobicContact CD1-CD1 4.47Å; L230-I271 HydrophobicContact CD1-CG1 4.14Å; L230-I271 HydrophobicContact CD2-CD1 4.38Å; L230-I271 HydrophobicContact CD2-CG1 4.47Å; L264-I271 HydrophobicContact CD2-CD1 3.61Å; L264-I271 HydrophobicContact CD2-CG1 4.3Å; L267-I271 HydrophobicContact CB-CG2 4.34Å; G269-I271 PolarHBondContact O-N 3.43Å; I271-I273 VanDerWaalsContact C-N 3.34Å; I271-L275 HydrophobicContact CG1-CD1 4.47Å; I271-L275 WeakPolarHBondContact O-CB 3.22Å; I271-L275 VanDerWaalsContact O-CG 3.26Å; I271-L275 WeakPolarHBondContact O-CG 3.41Å; I271-L275 PolarHBondContact O-N 2.64Å |
| 272 | K | 84.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 171.5 | -175 | 171.9 | -80.1 | 171 | 0 | 110.7 | L265 L267 D268 G269 E270 C276 S304 F305 E308 | L265-K272 WeakPolarHBondContact O-CE 3.16Å; L267-K272 WeakPolarHBondContact O-CE 3.48Å; L267-K272 PolarHBondContact O-NZ 2.93Å; D268-K272 VanDerWaalsContact CG-NZ 3.27Å; D268-K272 IonicContact OD1-NZ 3.32Å; D268-K272 PolarHBondContact OD1-NZ 3.15Å; D268-K272 IonicContact OD2-NZ 3.87Å; D268-K272 PolarHBondContact OD2-NZ 3.47Å; G269-K272 WeakPolarHBondContact O-CB 3.4Å; G269-K272 PolarHBondContact O-N 2.9Å; E270-K272 PolarHBondContact O-N 2.87Å; K272-C276 PolarHBondContact O-N 3.05Å; K272-C276 PolarHBondContact O-SG 2.89Å; K272-C276 VanDerWaalsContact O-SG 3.36Å; K272-S304 WeakPolarHBondContact CD-O 3.41Å; K272-S304 WeakPolarHBondContact CE-O 3.43Å; K272-S304 PolarHBondContact NZ-O 3.1Å; K272-F305 HydrophobicContact CD-CD1 4.25Å; K272-F305 HydrophobicContact CG-CD1 3.71Å; K272-F305 HydrophobicContact CG-CE1 3.99Å; K272-E308 HydrophobicContact CB-CG 4.41Å; K272-E308 HydrophobicContact CD-CG 4.09Å; K272-E308 HydrophobicContact CG-CG 4.33Å |
| 273 | I | 84.4 | Confident | 85.4 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 174.7 | -60.3 | 178.3 | 0 | 0 | 0 | 111.5 | G269 E270 I271 C276 K277 E308 Y310 | G269-I273 PolarHBondContact O-N 2.88Å; E270-I273 CarbonylContact O-C 3.59Å; E270-I273 WeakPolarHBondContact O-CB 3.49Å; E270-I273 PolarHBondContact O-N 3.44Å; I271-I273 VanDerWaalsContact C-N 3.34Å; I273-C276 WeakPolarHBondContact O-CB 3.48Å; I273-C276 PolarHBondContact O-N 2.67Å; I273-K277 HydrophobicContact CG2-CD 4.35Å; I273-K277 WeakPolarHBondContact O-CG 3.43Å; I273-K277 PolarHBondContact O-N 3.36Å; I273-E308 HydrophobicContact CD1-CG 4.45Å; I273-E308 HydrophobicContact CG1-CB 4.09Å; I273-E308 HydrophobicContact CG1-CG 3.99Å; I273-Y310 HydrophobicContact CG2-CD1 3.88Å; I273-Y310 HydrophobicContact CG2-CG 4.09Å |
| 274 | Q | 87.9 | Confident | 85.6 | Confident | 49 Ų | 49 | 35.1 Ų | 35.1 | 23% | 0.229 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 177.2 | -66.7 | -69.2 | -9.8 | 0 | 0 | 112.5 | L225 L230 E270 C276 K277 H278 | L225-Q274 HydrophobicContact CD2-CB 4.19Å; L225-Q274 HydrophobicContact CD2-CG 3.76Å; L230-Q274 HydrophobicContact CD1-CB 3.72Å; E270-Q274 HydrophobicContact CG-CG 4.15Å; E270-Q274 WeakPolarHBondContact O-CG 3.35Å; E270-Q274 PolarHBondContact O-N 3.41Å; E270-Q274 WeakPolarHBondContact OE1-CG 3.49Å; E270-Q274 PolarHBondContact OE1-NE2 3.1Å; Q274-C276 VanDerWaalsContact C-N 3.3Å; Q274-C276 PolarHBondContact O-N 3.37Å; Q274-K277 WeakPolarHBondContact O-CB 3.36Å; Q274-K277 PolarHBondContact O-N 3.25Å; Q274-K277 VanDerWaalsContact O-N 3.17Å; Q274-K277 VanDerWaalsContact OE1-CD 3.27Å; Q274-H278 PolarHBondContact O-CD2 3.16Å; Q274-H278 PolarHBondContact O-N 3.09Å; Q274-H278 VanDerWaalsContact O-N 3.07Å |
| 275 | L | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 170.7 | -73.1 | 171.2 | 0 | 0 | 0 | 112.1 | L230 M234 L261 L264 L265 I271 H278 G279 A280 | L230-L275 HydrophobicContact CD2-CD2 4.09Å; M234-L275 HydrophobicContact CG-CD2 4.24Å; M234-L275 HydrophobicContact SD-CD2 4.06Å; L261-L275 HydrophobicContact CD1-CD1 3.85Å; L261-L275 HydrophobicContact CD1-CD2 3.7Å; L261-L275 HydrophobicContact CD1-CG 4.32Å; L264-L275 HydrophobicContact CB-CD1 3.81Å; L264-L275 HydrophobicContact CD1-CD1 4.42Å; L265-L275 HydrophobicContact CD2-CB 4.31Å; L265-L275 HydrophobicContact CD2-CD1 3.8Å; L265-L275 HydrophobicContact CG-CD1 4.41Å; I271-L275 HydrophobicContact CG1-CD1 4.47Å; I271-L275 WeakPolarHBondContact O-CB 3.22Å; I271-L275 VanDerWaalsContact O-CG 3.26Å; I271-L275 WeakPolarHBondContact O-CG 3.41Å; I271-L275 PolarHBondContact O-N 2.64Å; L275-H278 PolarHBondContact O-N 3.45Å; L275-G279 PolarHBondContact O-N 3.19Å; L275-A280 HydrophobicContact CB-CB 3.99Å; L275-A280 WeakPolarHBondContact O-CB 3.49Å; L275-A280 PolarHBondContact O-N 3.03Å |
| 276 | C | 88 | Confident | 85.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 168.9 | -74.2 | 0 | 0 | 0 | 0 | 112.7 | K272 I273 Q274 H278 G279 I281 F305 Y310 S311 | K272-C276 PolarHBondContact O-N 3.05Å; K272-C276 PolarHBondContact O-SG 2.89Å; K272-C276 VanDerWaalsContact O-SG 3.36Å; I273-C276 WeakPolarHBondContact O-CB 3.48Å; I273-C276 PolarHBondContact O-N 2.67Å; Q274-C276 VanDerWaalsContact C-N 3.3Å; Q274-C276 PolarHBondContact O-N 3.37Å; C276-H278 PolarHBondContact O-N 3.46Å; C276-G279 PolarHBondContact O-N 3.37Å; C276-I281 HydrophobicContact CB-CD1 4.35Å; C276-I281 WeakPolarHBondContact SG-CD1 3.28Å; C276-F305 WeakPolarHBondContact SG-CD1 3.36Å; C276-F305 WeakPolarHBondContact SG-CE1 3.49Å; C276-Y310 HydrophobicContact CB-CD1 3.93Å; C276-Y310 HydrophobicContact CB-CE1 3.8Å; C276-S311 PolarHBondContact SG-OG 2.98Å |
| 277 | K | 88.4 | Confident | 86.2 | Confident | 89 Ų | 89 | 32.8 Ų | 32.8 | 39% | 0.387 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.3 | -30 | 177.6 | -69.6 | 162 | -178.2 | 159.1 | 0 | 112.2 | E270 I273 Q274 Y310 | E270-K277 IonicContact OE1-NZ 3.23Å; E270-K277 PolarHBondContact OE1-NZ 3Å; I273-K277 HydrophobicContact CG2-CD 4.35Å; I273-K277 WeakPolarHBondContact O-CG 3.43Å; I273-K277 PolarHBondContact O-N 3.36Å; Q274-K277 WeakPolarHBondContact O-CB 3.36Å; Q274-K277 PolarHBondContact O-N 3.25Å; Q274-K277 VanDerWaalsContact O-N 3.17Å; Q274-K277 VanDerWaalsContact OE1-CD 3.27Å; K277-Y310 HydrophobicContact CG-CE1 3.69Å |
| 278 | H | 88.8 | Confident | 86.5 | Confident | 59 Ų | 59 | 31.3 Ų | 31.3 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 12.8 | 175.4 | -58.2 | -44.4 | 0 | 0 | 0 | 114.8 | M234 K238 Q274 L275 C276 | M234-H278 HydrophobicContact CB-CB 4.22Å; M234-H278 HydrophobicContact CG-CB 3.83Å; K238-H278 PolarHBondContact NZ-O 2.96Å; Q274-H278 PolarHBondContact O-CD2 3.16Å; Q274-H278 PolarHBondContact O-N 3.09Å; Q274-H278 VanDerWaalsContact O-N 3.07Å; L275-H278 PolarHBondContact O-N 3.45Å; C276-H278 PolarHBondContact O-N 3.46Å |
| 279 | G | 87.6 | Confident | 87.1 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 46.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K238 L275 C276 E282 | K238-G279 PolarHBondContact NZ-O 3.06Å; L275-G279 PolarHBondContact O-N 3.19Å; C276-G279 PolarHBondContact O-N 3.37Å; G279-E282 VanDerWaalsContact C-OE2 3.26Å; G279-E282 WeakPolarHBondContact CA-OE2 3.26Å |
| 280 | A | 90.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75.9 | -31.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M234 L275 Y283 V284 F305 | M234-A280 HydrophobicContact CE-CB 4.01Å; M234-A280 HydrophobicContact SD-CB 4.21Å; L275-A280 HydrophobicContact CB-CB 3.99Å; L275-A280 WeakPolarHBondContact O-CB 3.49Å; L275-A280 PolarHBondContact O-N 3.03Å; A280-Y283 PolarHBondContact O-N 3.43Å; A280-V284 WeakPolarHBondContact O-CG2 3.3Å; A280-V284 PolarHBondContact O-N 3.49Å; A280-F305 HydrophobicContact CB-CZ 3.84Å |
| 281 | I | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 178.7 | -69 | 163.1 | 0 | 0 | 0 | 110.3 | C276 Y283 V284 L285 L302 F305 M314 M315 T318 A320 | C276-I281 HydrophobicContact CB-CD1 4.35Å; C276-I281 WeakPolarHBondContact SG-CD1 3.28Å; I281-Y283 VanDerWaalsContact C-N 3.26Å; I281-Y283 PolarHBondContact O-N 3.43Å; I281-V284 PolarHBondContact O-N 3.4Å; I281-L285 WeakPolarHBondContact O-CB 3.43Å; I281-L285 PolarHBondContact O-N 2.77Å; I281-L302 HydrophobicContact CG2-CD1 4.04Å; I281-F305 HydrophobicContact CD1-CD1 4.39Å; I281-F305 HydrophobicContact CD1-CG 4.32Å; I281-F305 HydrophobicContact CG1-CB 4.41Å; I281-F305 HydrophobicContact CG1-CD1 4.01Å; I281-F305 HydrophobicContact CG1-CD2 3.68Å; I281-F305 HydrophobicContact CG1-CE1 4.07Å; I281-F305 HydrophobicContact CG1-CE2 3.75Å; I281-F305 HydrophobicContact CG1-CG 3.8Å; I281-F305 HydrophobicContact CG1-CZ 3.92Å; I281-M314 HydrophobicContact CD1-CB 3.8Å; I281-M314 HydrophobicContact CD1-CG 4.13Å; I281-M315 HydrophobicContact CD1-CG 3.8Å; I281-M315 HydrophobicContact CG1-CG 4.35Å; I281-M315 HydrophobicContact CG2-CG 4.22Å; I281-T318 HydrophobicContact CG2-CG2 4.19Å; I281-T318 VanDerWaalsContact CG2-OG1 3.27Å; I281-T318 WeakPolarHBondContact CG2-OG1 3.42Å; I281-A320 HydrophobicContact CG2-CB 3.76Å |
| 282 | E | 90.1 | Very high | 86.4 | Confident | 72 Ų | 72 | 42.9 Ų | 42.9 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 177.2 | -63.1 | 85 | 164.6 | 0 | 0 | 111.3 | G279 Q286 M314 T318 | G279-E282 VanDerWaalsContact C-OE2 3.26Å; G279-E282 WeakPolarHBondContact CA-OE2 3.26Å; E282-Q286 VanDerWaalsContact O-CB 3.32Å; E282-Q286 WeakPolarHBondContact O-CB 3.34Å; E282-Q286 PolarHBondContact O-N 3.4Å; E282-M314 WeakPolarHBondContact OE1-CE 3.46Å; E282-T318 HydrophobicContact CG-CG2 3.65Å; E282-T318 WeakPolarHBondContact OE1-CG2 3.24Å |
| 283 | Y | 89.4 | Confident | 85.7 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 8% | 0.078 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.1 | -50.6 | 177.7 | -175.8 | -94.3 | 0 | 0 | 0 | 112 | V237 K238 Q258 L261 A280 I281 L285 Q286 C287 | V237-Y283 HydrophobicContact CG1-CD1 3.64Å; V237-Y283 HydrophobicContact CG1-CD2 4.05Å; V237-Y283 HydrophobicContact CG1-CE1 3.22Å; V237-Y283 HydrophobicContact CG1-CE2 3.66Å; V237-Y283 HydrophobicContact CG1-CG 4.02Å; V237-Y283 WeakPolarHBondContact CG1-OH 3.38Å; V237-Y283 VanDerWaalsContact O-CE2 3.24Å; V237-Y283 WeakPolarHBondContact O-CE2 3.29Å; V237-Y283 VanDerWaalsContact O-CZ 3.3Å; V237-Y283 PolarHBondContact O-OH 3.18Å; K238-Y283 HydrophobicContact CG-CD2 3.82Å; K238-Y283 HydrophobicContact CG-CE2 4.31Å; Q258-Y283 WeakPolarHBondContact CG-OH 3.34Å; Q258-Y283 PolarHBondContact NE2-OH 3.16Å; L261-Y283 HydrophobicContact CD2-CD1 4.09Å; L261-Y283 HydrophobicContact CD2-CE1 4.43Å; A280-Y283 PolarHBondContact O-N 3.43Å; I281-Y283 VanDerWaalsContact C-N 3.26Å; I281-Y283 PolarHBondContact O-N 3.43Å; Y283-L285 PolarHBondContact O-N 2.71Å; Y283-Q286 PolarHBondContact O-N 2.81Å; Y283-Q286 VanDerWaalsContact O-N 3.17Å; Y283-C287 WeakPolarHBondContact CE1-SG 3.19Å; Y283-C287 PolarHBondContact O-N 2.8Å; Y283-C287 PolarHBondContact O-SG 3.16Å; Y283-C287 VanDerWaalsContact O-SG 3.41Å |
| 284 | V | 89.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 179 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | L265 A280 I281 Q286 C287 C288 F298 A301 L302 F305 | L265-V284 HydrophobicContact CD1-CG2 3.78Å; A280-V284 WeakPolarHBondContact O-CG2 3.3Å; A280-V284 PolarHBondContact O-N 3.49Å; I281-V284 PolarHBondContact O-N 3.4Å; V284-Q286 VanDerWaalsContact C-N 3.32Å; V284-Q286 PolarHBondContact O-N 3.07Å; V284-C287 CarbonylContact O-C 3.52Å; V284-C287 WeakPolarHBondContact O-CA 3.4Å; V284-C287 WeakPolarHBondContact O-CB 3.22Å; V284-C287 PolarHBondContact O-N 3.17Å; V284-C288 PolarHBondContact O-N 3.06Å; V284-C288 PolarHBondContact O-SG 3.43Å; V284-F298 HydrophobicContact CG1-CB 4.22Å; V284-F298 HydrophobicContact CG1-CD1 4.41Å; V284-F298 VanDerWaalsContact CG1-O 3.27Å; V284-F298 WeakPolarHBondContact CG1-O 3.13Å; V284-A301 HydrophobicContact CG1-CB 4.31Å; V284-L302 HydrophobicContact CB-CD1 4.42Å; V284-L302 HydrophobicContact CG1-CB 3.86Å; V284-L302 HydrophobicContact CG1-CD1 4.2Å; V284-F305 HydrophobicContact CG2-CE2 4.4Å |
| 285 | L | 88.8 | Confident | 84.9 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 173.2 | 179.4 | 60.7 | 0 | 0 | 0 | 112.2 | I281 Y283 C287 K289 L302 A320 Y323 | I281-L285 WeakPolarHBondContact O-CB 3.43Å; I281-L285 PolarHBondContact O-N 2.77Å; Y283-L285 PolarHBondContact O-N 2.71Å; L285-C287 VanDerWaalsContact C-N 3.34Å; L285-K289 HydrophobicContact CD1-CD 4.37Å; L285-K289 WeakPolarHBondContact O-CG 3.35Å; L285-K289 PolarHBondContact O-N 3.1Å; L285-L302 HydrophobicContact CB-CD1 4.43Å; L285-L302 HydrophobicContact CB-CD2 4.47Å; L285-L302 HydrophobicContact CD1-CD2 4.02Å; L285-A320 HydrophobicContact CD2-CB 4.25Å; L285-Y323 HydrophobicContact CD1-CD1 3.39Å; L285-Y323 HydrophobicContact CD1-CD2 4.49Å; L285-Y323 HydrophobicContact CD1-CE1 4.11Å; L285-Y323 HydrophobicContact CD1-CG 3.6Å |
| 286 | Q | 88.6 | Confident | 84.4 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68 | -33.7 | 174.4 | -161.9 | -169.2 | 92 | 0 | 0 | 111.9 | E282 Y283 V284 K290 | E282-Q286 VanDerWaalsContact O-CB 3.32Å; E282-Q286 WeakPolarHBondContact O-CB 3.34Å; E282-Q286 PolarHBondContact O-N 3.4Å; Y283-Q286 PolarHBondContact O-N 2.81Å; Y283-Q286 VanDerWaalsContact O-N 3.17Å; V284-Q286 VanDerWaalsContact C-N 3.32Å; V284-Q286 PolarHBondContact O-N 3.07Å; Q286-K290 VanDerWaalsContact CD-NZ 3.27Å; Q286-K290 HydrophobicContact CG-CD 4.03Å; Q286-K290 WeakPolarHBondContact O-CB 3.48Å; Q286-K290 VanDerWaalsContact O-CG 3.32Å; Q286-K290 WeakPolarHBondContact O-CG 3.46Å; Q286-K290 PolarHBondContact O-N 3.44Å |
| 287 | C | 86.7 | Confident | 84.2 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 173.7 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | Y283 V284 L285 K289 K290 S291 F298 | Y283-C287 WeakPolarHBondContact CE1-SG 3.19Å; Y283-C287 PolarHBondContact O-N 2.8Å; Y283-C287 PolarHBondContact O-SG 3.16Å; Y283-C287 VanDerWaalsContact O-SG 3.41Å; V284-C287 CarbonylContact O-C 3.52Å; V284-C287 WeakPolarHBondContact O-CA 3.4Å; V284-C287 WeakPolarHBondContact O-CB 3.22Å; V284-C287 PolarHBondContact O-N 3.17Å; L285-C287 VanDerWaalsContact C-N 3.34Å; C287-K289 PolarHBondContact O-N 3.13Å; C287-K290 PolarHBondContact O-N 3.43Å; C287-S291 VanDerWaalsContact O-CB 3.29Å; C287-S291 WeakPolarHBondContact O-CB 3.34Å; C287-S291 PolarHBondContact O-N 3.32Å; C287-F298 HydrophobicContact CB-CD1 3.72Å; C287-F298 HydrophobicContact CB-CD2 3.9Å; C287-F298 HydrophobicContact CB-CE1 3.71Å; C287-F298 HydrophobicContact CB-CE2 3.88Å; C287-F298 HydrophobicContact CB-CG 3.82Å; C287-F298 HydrophobicContact CB-CZ 3.79Å |
| 288 | C | 85.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.8 | -41 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | V284 K290 F298 Y323 | V284-C288 PolarHBondContact O-N 3.06Å; V284-C288 PolarHBondContact O-SG 3.43Å; C288-K290 VanDerWaalsContact C-N 3.3Å; C288-K290 PolarHBondContact O-N 3.22Å; C288-F298 VanDerWaalsContact SG-C 3.56Å; C288-F298 WeakPolarHBondContact SG-CB 3.42Å; C288-Y323 HydrophobicContact CB-CD1 4.45Å; C288-Y323 HydrophobicContact CB-CE1 3.35Å; C288-Y323 WeakPolarHBondContact CB-OH 3.25Å; C288-Y323 PolarHBondContact O-OH 2.97Å |
| 289 | K | 84.3 | Confident | 84 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9.8 | 179.4 | -69.2 | 178.9 | 178.3 | -177.3 | 0 | 114.6 | L285 C287 Y323 | L285-K289 HydrophobicContact CD1-CD 4.37Å; L285-K289 WeakPolarHBondContact O-CG 3.35Å; L285-K289 PolarHBondContact O-N 3.1Å; C287-K289 PolarHBondContact O-N 3.13Å; K289-Y323 HydrophobicContact CD-CD2 4.43Å; K289-Y323 HydrophobicContact CD-CE2 4.32Å; K289-Y323 HydrophobicContact CG-CD2 4.24Å; K289-Y323 HydrophobicContact CG-CE2 3.67Å |
| 290 | K | 83.6 | Confident | 83.9 | Confident | 152 Ų | 152 | 54.4 Ų | 54.4 | 66% | 0.661 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -14.6 | -178.1 | -73.3 | -179.3 | 177.7 | 178 | 0 | 114.7 | Q286 C287 C288 | Q286-K290 VanDerWaalsContact CD-NZ 3.27Å; Q286-K290 HydrophobicContact CG-CD 4.03Å; Q286-K290 WeakPolarHBondContact O-CB 3.48Å; Q286-K290 VanDerWaalsContact O-CG 3.32Å; Q286-K290 WeakPolarHBondContact O-CG 3.46Å; Q286-K290 PolarHBondContact O-N 3.44Å; C287-K290 PolarHBondContact O-N 3.43Å; C288-K290 VanDerWaalsContact C-N 3.3Å; C288-K290 PolarHBondContact O-N 3.22Å |
| 291 | S | 76.4 | Confident | 83.6 | Confident | 36 Ų | 36 | 54.9 Ų | 54.9 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | trans | -126.4 | 96.7 | -167.8 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | C287 K295 | C287-S291 VanDerWaalsContact O-CB 3.29Å; C287-S291 WeakPolarHBondContact O-CB 3.34Å; C287-S291 PolarHBondContact O-N 3.32Å; S291-K295 WeakPolarHBondContact O-CA 3.04Å; S291-K295 WeakPolarHBondContact O-CB 3.43Å; S291-K295 PolarHBondContact O-N 3.49Å | ||
| 292 | E | 71.1 | Confident | 83.6 | Confident | 143 Ų | 143 | 54.9 Ų | 54.9 | 67% | 0.668 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -60.6 | -53.5 | 170.8 | -72.6 | -67.6 | 104.4 | 0 | 0 | 111.6 | R294 K295 | E292-R294 PolarHBondContact O-N 3.23Å; E292-K295 WeakPolarHBondContact O-CB 3.24Å; E292-K295 PolarHBondContact O-N 2.86Å; E292-K295 VanDerWaalsContact O-N 3.17Å; E292-K295 WeakPolarHBondContact OE1-CE 3.11Å; E292-K295 IonicContact OE1-NZ 2.74Å; E292-K295 PolarHBondContact OE1-NZ 2.66Å |
| 293 | A | 70.2 | Confident | 83.4 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 83% | 0.826 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -12.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 294 | R | 74.6 | Confident | 83.2 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | 18.8 | 175.6 | -68.2 | -178 | 73 | -164.9 | 6.6 | 112.9 | E292 D296 E297 F298 | E292-R294 PolarHBondContact O-N 3.23Å; R294-D296 PolarHBondContact O-N 3.09Å; R294-E297 IonicContact CZ-OE2 3.71Å; R294-E297 IonicContact NE-OE2 3.74Å; R294-E297 PolarHBondContact NE-OE2 2.92Å; R294-E297 IonicContact NH2-OE1 2.74Å; R294-E297 PolarHBondContact NH2-OE1 3.27Å; R294-E297 IonicContact NH2-OE2 2.61Å; R294-E297 PolarHBondContact NH2-OE2 3.46Å; R294-E297 PolarHBondContact O-N 3.37Å; R294-E297 VanDerWaalsContact O-N 3.09Å; R294-F298 HydrophobicContact CB-CD2 4.06Å; R294-F298 HydrophobicContact CB-CE2 3.79Å; R294-F298 VanDerWaalsContact O-CD2 3.26Å; R294-F298 WeakPolarHBondContact O-CD2 3.31Å; R294-F298 PolarHBondContact O-N 3.37Å |
| 295 | K | 81.2 | Confident | 83 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -51.9 | -54 | -174.5 | -151.9 | 174.9 | -171.5 | 166.8 | 0 | 111.8 | S291 E292 E297 F298 I299 | S291-K295 WeakPolarHBondContact O-CA 3.04Å; S291-K295 WeakPolarHBondContact O-CB 3.43Å; S291-K295 PolarHBondContact O-N 3.49Å; E292-K295 WeakPolarHBondContact O-CB 3.24Å; E292-K295 PolarHBondContact O-N 2.86Å; E292-K295 VanDerWaalsContact O-N 3.17Å; E292-K295 WeakPolarHBondContact OE1-CE 3.11Å; E292-K295 IonicContact OE1-NZ 2.74Å; E292-K295 PolarHBondContact OE1-NZ 2.66Å; K295-E297 VanDerWaalsContact C-N 3.28Å; K295-E297 PolarHBondContact O-N 3.29Å; K295-F298 PolarHBondContact O-N 3.48Å; K295-F298 VanDerWaalsContact O-N 3.14Å; K295-I299 HydrophobicContact CG-CD1 4Å; K295-I299 VanDerWaalsContact O-CG1 3.25Å; K295-I299 WeakPolarHBondContact O-CG1 3.32Å; K295-I299 PolarHBondContact O-N 3.04Å |
| 296 | D | 80.1 | Confident | 82.7 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54 | -38.3 | 178 | -71 | 27.6 | 0 | 0 | 0 | 113.7 | R294 I299 R300 K333 | R294-D296 PolarHBondContact O-N 3.09Å; D296-I299 PolarHBondContact O-N 3.19Å; D296-R300 VanDerWaalsContact O-CG 3.28Å; D296-R300 WeakPolarHBondContact O-CG 3.45Å; D296-R300 PolarHBondContact O-N 3.14Å; D296-K333 IonicContact OD1-NZ 3.64Å; D296-K333 PolarHBondContact OD1-NZ 3.42Å; D296-K333 IonicContact OD2-NZ 2.9Å; D296-K333 PolarHBondContact OD2-NZ 2.86Å |
| 297 | E | 82.7 | Confident | 82.1 | Confident | 57 Ų | 57 | 49.6 Ų | 49.6 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.5 | -41.1 | -179.7 | -168.8 | -176.6 | 177.2 | 0 | 0 | 111.2 | R266 R294 K295 A301 | R266-E297 IonicContact NH2-OE1 3.67Å; R294-E297 IonicContact CZ-OE2 3.71Å; R294-E297 IonicContact NE-OE2 3.74Å; R294-E297 PolarHBondContact NE-OE2 2.92Å; R294-E297 IonicContact NH2-OE1 2.74Å; R294-E297 PolarHBondContact NH2-OE1 3.27Å; R294-E297 IonicContact NH2-OE2 2.61Å; R294-E297 PolarHBondContact NH2-OE2 3.46Å; R294-E297 PolarHBondContact O-N 3.37Å; R294-E297 VanDerWaalsContact O-N 3.09Å; K295-E297 VanDerWaalsContact C-N 3.28Å; K295-E297 PolarHBondContact O-N 3.29Å; E297-A301 PolarHBondContact O-N 2.99Å; E297-A301 VanDerWaalsContact O-N 3.1Å |
| 298 | F | 86.5 | Confident | 81.6 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70 | -33.1 | 174 | -66.1 | -64.2 | 0 | 0 | 0 | 112.4 | L262 V284 C287 C288 R294 K295 A301 L302 | L262-F298 HydrophobicContact CD1-CE1 3.94Å; L262-F298 HydrophobicContact CD1-CZ 4.46Å; L262-F298 HydrophobicContact CD2-CD1 4.06Å; L262-F298 HydrophobicContact CD2-CE1 4.15Å; L262-F298 HydrophobicContact CG-CE1 4.42Å; V284-F298 HydrophobicContact CG1-CB 4.22Å; V284-F298 HydrophobicContact CG1-CD1 4.41Å; V284-F298 VanDerWaalsContact CG1-O 3.27Å; V284-F298 WeakPolarHBondContact CG1-O 3.13Å; C287-F298 HydrophobicContact CB-CD1 3.72Å; C287-F298 HydrophobicContact CB-CD2 3.9Å; C287-F298 HydrophobicContact CB-CE1 3.71Å; C287-F298 HydrophobicContact CB-CE2 3.88Å; C287-F298 HydrophobicContact CB-CG 3.82Å; C287-F298 HydrophobicContact CB-CZ 3.79Å; C288-F298 VanDerWaalsContact SG-C 3.56Å; C288-F298 WeakPolarHBondContact SG-CB 3.42Å; R294-F298 HydrophobicContact CB-CD2 4.06Å; R294-F298 HydrophobicContact CB-CE2 3.79Å; R294-F298 VanDerWaalsContact O-CD2 3.26Å; R294-F298 WeakPolarHBondContact O-CD2 3.31Å; R294-F298 PolarHBondContact O-N 3.37Å; K295-F298 PolarHBondContact O-N 3.48Å; K295-F298 VanDerWaalsContact O-N 3.14Å; F298-A301 PolarHBondContact O-N 2.86Å; F298-L302 VanDerWaalsContact O-CB 3.31Å; F298-L302 WeakPolarHBondContact O-CB 3.1Å; F298-L302 PolarHBondContact O-N 3.3Å |
| 299 | I | 85.8 | Confident | 81 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 174.5 | -64.4 | 160.6 | 0 | 0 | 0 | 110.6 | K295 D296 A301 L302 A303 L324 I327 L336 L340 | K295-I299 HydrophobicContact CG-CD1 4Å; K295-I299 VanDerWaalsContact O-CG1 3.25Å; K295-I299 WeakPolarHBondContact O-CG1 3.32Å; K295-I299 PolarHBondContact O-N 3.04Å; D296-I299 PolarHBondContact O-N 3.19Å; I299-A301 VanDerWaalsContact C-N 3.32Å; I299-A301 PolarHBondContact O-N 2.76Å; I299-L302 PolarHBondContact O-N 3.1Å; I299-L302 VanDerWaalsContact O-N 3.13Å; I299-A303 WeakPolarHBondContact O-CB 3.43Å; I299-A303 PolarHBondContact O-N 3.43Å; I299-L324 HydrophobicContact CG2-CD2 4.09Å; I299-I327 HydrophobicContact CD1-CD1 3.7Å; I299-I327 HydrophobicContact CD1-CG2 4.23Å; I299-I327 HydrophobicContact CG1-CD1 3.78Å; I299-L336 HydrophobicContact CB-CD1 4.42Å; I299-L336 HydrophobicContact CD1-CD2 4.41Å; I299-L336 HydrophobicContact CG2-CD1 3.84Å; I299-L340 HydrophobicContact CG2-CD2 4.07Å |
| 300 | R | 86.5 | Confident | 80.8 | Confident | 107 Ų | 107 | 52 Ų | 52 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 174.7 | -68.8 | 174 | -155.9 | -124.8 | 4.2 | 111.6 | D296 A303 S304 L339 | D296-R300 VanDerWaalsContact O-CG 3.28Å; D296-R300 WeakPolarHBondContact O-CG 3.45Å; D296-R300 PolarHBondContact O-N 3.14Å; R300-A303 PolarHBondContact O-N 3.39Å; R300-S304 PolarHBondContact O-N 3.5Å; R300-L339 HydrophobicContact CG-CD1 4.04Å; R300-L339 HydrophobicContact CG-CD2 4.26Å |
| 301 | A | 85.7 | Confident | 80.8 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -33.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L262 L265 V284 E297 F298 I299 S304 F305 | L262-A301 HydrophobicContact CD2-CB 3.95Å; L265-A301 HydrophobicContact CD1-CB 4.35Å; V284-A301 HydrophobicContact CG1-CB 4.31Å; E297-A301 PolarHBondContact O-N 2.99Å; E297-A301 VanDerWaalsContact O-N 3.1Å; F298-A301 PolarHBondContact O-N 2.86Å; I299-A301 VanDerWaalsContact C-N 3.32Å; I299-A301 PolarHBondContact O-N 2.76Å; A301-S304 PolarHBondContact O-OG 3.48Å; A301-F305 VanDerWaalsContact O-CD2 3.3Å; A301-F305 WeakPolarHBondContact O-CD2 3.44Å |
| 302 | L | 89 | Confident | 80.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.6 | -39.3 | 177.1 | -169.9 | 60.2 | 0 | 0 | 0 | 111.5 | I281 V284 L285 F298 I299 F305 M315 A320 Y323 L324 | I281-L302 HydrophobicContact CG2-CD1 4.04Å; V284-L302 HydrophobicContact CB-CD1 4.42Å; V284-L302 HydrophobicContact CG1-CB 3.86Å; V284-L302 HydrophobicContact CG1-CD1 4.2Å; L285-L302 HydrophobicContact CB-CD1 4.43Å; L285-L302 HydrophobicContact CB-CD2 4.47Å; L285-L302 HydrophobicContact CD1-CD2 4.02Å; F298-L302 VanDerWaalsContact O-CB 3.31Å; F298-L302 WeakPolarHBondContact O-CB 3.1Å; F298-L302 PolarHBondContact O-N 3.3Å; I299-L302 PolarHBondContact O-N 3.1Å; I299-L302 VanDerWaalsContact O-N 3.13Å; L302-F305 HydrophobicContact CD1-CD2 4.43Å; L302-M315 WeakPolarHBondContact O-CE 3.42Å; L302-A320 HydrophobicContact CD1-CB 3.97Å; L302-A320 HydrophobicContact CD2-CB 4.38Å; L302-A320 HydrophobicContact CG-CB 4.41Å; L302-Y323 HydrophobicContact CD2-CD1 4.03Å; L302-L324 HydrophobicContact CB-CD2 4.26Å; L302-L324 HydrophobicContact CD2-CD2 3.8Å; L302-L324 HydrophobicContact CD2-CG 4.2Å; L302-L324 HydrophobicContact CG-CD1 4.49Å; L302-L324 HydrophobicContact CG-CD2 4.09Å; L302-L324 HydrophobicContact CG-CG 4.39Å |
| 303 | A | 85.5 | Confident | 81.2 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.5 | -32.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I299 R300 F305 A306 L324 L339 L340 A343 | I299-A303 WeakPolarHBondContact O-CB 3.43Å; I299-A303 PolarHBondContact O-N 3.43Å; R300-A303 PolarHBondContact O-N 3.39Å; A303-F305 PolarHBondContact O-N 2.72Å; A303-F305 VanDerWaalsContact O-N 3.11Å; A303-A306 WeakPolarHBondContact O-CB 3.32Å; A303-A306 PolarHBondContact O-N 3.38Å; A303-L324 HydrophobicContact CB-CD1 4.31Å; A303-L339 HydrophobicContact CB-CD2 3.51Å; A303-L340 HydrophobicContact CB-CD2 4.47Å; A303-A343 HydrophobicContact CB-CB 3.98Å |
| 304 | S | 85.2 | Confident | 81.7 | Confident | 36 Ų | 36 | 40 Ų | 40 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -65.9 | -11 | 178 | 79.1 | 0 | 0 | 0 | 0 | 114.3 | L265 K272 R300 A301 A306 S307 | L265-S304 PolarHBondContact O-OG 2.87Å; L265-S304 VanDerWaalsContact O-OG 3.05Å; K272-S304 WeakPolarHBondContact CD-O 3.41Å; K272-S304 WeakPolarHBondContact CE-O 3.43Å; K272-S304 PolarHBondContact NZ-O 3.1Å; R300-S304 PolarHBondContact O-N 3.5Å; A301-S304 PolarHBondContact O-OG 3.48Å; S304-A306 PolarHBondContact O-N 2.68Å; S304-S307 PolarHBondContact O-OG 3.03Å |
| 305 | F | 86.5 | Confident | 82 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -74.7 | -8 | 168.9 | -74 | -66.5 | 0 | 0 | 0 | 113.8 | L265 K272 C276 A280 I281 V284 A301 L302 A303 S307 S311 M315 | L265-F305 HydrophobicContact CD1-CE2 4.26Å; L265-F305 HydrophobicContact CD1-CZ 4.03Å; L265-F305 HydrophobicContact CD2-CE1 3.56Å; L265-F305 HydrophobicContact CD2-CE2 4.19Å; L265-F305 HydrophobicContact CD2-CZ 3.31Å; L265-F305 HydrophobicContact CG-CZ 4.31Å; K272-F305 HydrophobicContact CD-CD1 4.25Å; K272-F305 HydrophobicContact CG-CD1 3.71Å; K272-F305 HydrophobicContact CG-CE1 3.99Å; C276-F305 WeakPolarHBondContact SG-CD1 3.36Å; C276-F305 WeakPolarHBondContact SG-CE1 3.49Å; A280-F305 HydrophobicContact CB-CZ 3.84Å; I281-F305 HydrophobicContact CD1-CD1 4.39Å; I281-F305 HydrophobicContact CD1-CG 4.32Å; I281-F305 HydrophobicContact CG1-CB 4.41Å; I281-F305 HydrophobicContact CG1-CD1 4.01Å; I281-F305 HydrophobicContact CG1-CD2 3.68Å; I281-F305 HydrophobicContact CG1-CE1 4.07Å; I281-F305 HydrophobicContact CG1-CE2 3.75Å; I281-F305 HydrophobicContact CG1-CG 3.8Å; I281-F305 HydrophobicContact CG1-CZ 3.92Å; V284-F305 HydrophobicContact CG2-CE2 4.4Å; A301-F305 VanDerWaalsContact O-CD2 3.3Å; A301-F305 WeakPolarHBondContact O-CD2 3.44Å; L302-F305 HydrophobicContact CD1-CD2 4.43Å; A303-F305 PolarHBondContact O-N 2.72Å; A303-F305 VanDerWaalsContact O-N 3.11Å; F305-S307 VanDerWaalsContact C-N 3.32Å; F305-S307 PolarHBondContact O-N 2.98Å; F305-S311 WeakPolarHBondContact O-CB 3.38Å; F305-M315 HydrophobicContact CB-CG 4.23Å; F305-M315 HydrophobicContact CB-SD 3.43Å; F305-M315 WeakPolarHBondContact CB-SD 3.33Å |
| 306 | A | 80.5 | Confident | 81.8 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -72.2 | -21.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A303 S304 E308 R312 A343 C346 F347 | A303-A306 WeakPolarHBondContact O-CB 3.32Å; A303-A306 PolarHBondContact O-N 3.38Å; S304-A306 PolarHBondContact O-N 2.68Å; A306-E308 PolarHBondContact O-N 3.19Å; A306-R312 WeakPolarHBondContact O-CD 3.44Å; A306-R312 VanDerWaalsContact O-CG 3.24Å; A306-R312 WeakPolarHBondContact O-CG 3.47Å; A306-R312 PolarHBondContact O-NH1 2.85Å; A306-A343 HydrophobicContact CB-CB 3.71Å; A306-A343 WeakPolarHBondContact CB-O 3.43Å; A306-C346 HydrophobicContact CB-CB 4.16Å; A306-C346 WeakPolarHBondContact O-CB 3.48Å; A306-F347 HydrophobicContact CB-CE2 3.76Å; A306-F347 HydrophobicContact CB-CZ 4.46Å |
| 307 | S | 76.6 | Confident | 81.7 | Confident | 52 Ų | 52 | 44.9 Ų | 44.9 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -62.3 | -40.3 | -180 | 48.5 | 0 | 0 | 0 | 0 | 113 | D268 S304 F305 R312 | D268-S307 WeakPolarHBondContact OD1-CB 3.39Å; D268-S307 PolarHBondContact OD1-OG 3.11Å; S304-S307 PolarHBondContact O-OG 3.03Å; F305-S307 VanDerWaalsContact C-N 3.32Å; F305-S307 PolarHBondContact O-N 2.98Å; S307-R312 PolarHBondContact O-NH1 2.84Å |
| 308 | E | 76.2 | Confident | 81.3 | Confident | 40 Ų | 40 | 42.9 Ų | 42.9 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -92.3 | 136.7 | -171.9 | -64.9 | -59.2 | 163.2 | 0 | 0 | 113.9 | G269 K272 I273 A306 Y310 S311 R312 | G269-E308 WeakPolarHBondContact CA-OE1 3.39Å; G269-E308 PolarHBondContact N-OE1 3.09Å; K272-E308 HydrophobicContact CB-CG 4.41Å; K272-E308 HydrophobicContact CD-CG 4.09Å; K272-E308 HydrophobicContact CG-CG 4.33Å; I273-E308 HydrophobicContact CD1-CG 4.45Å; I273-E308 HydrophobicContact CG1-CB 4.09Å; I273-E308 HydrophobicContact CG1-CG 3.99Å; A306-E308 PolarHBondContact O-N 3.19Å; E308-Y310 PolarHBondContact O-N 3.02Å; E308-S311 WeakPolarHBondContact CB-OG 3.38Å; E308-S311 PolarHBondContact O-N 2.9Å; E308-R312 WeakPolarHBondContact O-CG 3.25Å; E308-R312 PolarHBondContact O-N 3.31Å |
| 309 | A | 72 | Confident | 80.9 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 44% | 0.438 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.9 | -44.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | R312 Q313 | A309-R312 PolarHBondContact O-N 2.96Å; A309-Q313 PolarHBondContact O-N 3.34Å; A309-Q313 VanDerWaalsContact O-N 3.15Å |
| 310 | Y | 80.6 | Confident | 80.8 | Confident | 85 Ų | 85 | 45.1 Ų | 45.1 | 33% | 0.333 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.3 | -179.6 | -96.6 | 0 | 0 | 0 | 111.4 | I273 C276 K277 E308 R312 Q313 M314 | I273-Y310 HydrophobicContact CG2-CD1 3.88Å; I273-Y310 HydrophobicContact CG2-CG 4.09Å; C276-Y310 HydrophobicContact CB-CD1 3.93Å; C276-Y310 HydrophobicContact CB-CE1 3.8Å; K277-Y310 HydrophobicContact CG-CE1 3.69Å; E308-Y310 PolarHBondContact O-N 3.02Å; Y310-R312 PolarHBondContact O-N 3.08Å; Y310-Q313 WeakPolarHBondContact O-CB 3.35Å; Y310-Q313 PolarHBondContact O-N 3.45Å; Y310-Q313 VanDerWaalsContact O-N 3.12Å; Y310-M314 PolarHBondContact O-N 3.5Å |
| 311 | S | 83.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 179 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | C276 F305 E308 Q313 M314 M315 | C276-S311 PolarHBondContact SG-OG 2.98Å; F305-S311 WeakPolarHBondContact O-CB 3.38Å; E308-S311 WeakPolarHBondContact CB-OG 3.38Å; E308-S311 PolarHBondContact O-N 2.9Å; S311-Q313 PolarHBondContact O-N 2.77Å; S311-M314 CarbonylContact O-C 3.55Å; S311-M314 PolarHBondContact O-N 3.05Å; S311-M315 WeakPolarHBondContact O-CB 3.4Å; S311-M315 WeakPolarHBondContact O-CG 3.47Å; S311-M315 PolarHBondContact O-N 3.43Å |
| 312 | R | 78.3 | Confident | 79.6 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 18% | 0.181 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 169.8 | -72.5 | -169.2 | -68.2 | -85.8 | 5.1 | 112.9 | A306 S307 E308 A309 Y310 M314 M315 R316 C346 F347 | A306-R312 WeakPolarHBondContact O-CD 3.44Å; A306-R312 VanDerWaalsContact O-CG 3.24Å; A306-R312 WeakPolarHBondContact O-CG 3.47Å; A306-R312 PolarHBondContact O-NH1 2.85Å; S307-R312 PolarHBondContact O-NH1 2.84Å; E308-R312 WeakPolarHBondContact O-CG 3.25Å; E308-R312 PolarHBondContact O-N 3.31Å; A309-R312 PolarHBondContact O-N 2.96Å; Y310-R312 PolarHBondContact O-N 3.08Å; R312-M314 VanDerWaalsContact C-N 3.26Å; R312-M314 PolarHBondContact O-N 3.22Å; R312-M315 PolarHBondContact O-N 2.98Å; R312-R316 WeakPolarHBondContact O-CG 3.29Å; R312-R316 PolarHBondContact O-N 3.17Å; R312-R316 VanDerWaalsContact O-N 3.12Å; R312-C346 WeakPolarHBondContact CD-O 3.38Å; R312-C346 PolarHBondContact NE-O 3.23Å; R312-F347 HydrophobicContact CB-CD1 4.21Å; R312-F347 HydrophobicContact CB-CE1 3.71Å; R312-F347 HydrophobicContact CB-CZ 4.18Å; R312-F347 HydrophobicContact CG-CD1 4.23Å; R312-F347 HydrophobicContact CG-CE1 3.8Å; R312-F347 HydrophobicContact CG-CE2 4.34Å; R312-F347 HydrophobicContact CG-CZ 3.85Å; R312-F347 WeakPolarHBondContact O-CE1 3.47Å |
| 313 | Q | 78.2 | Confident | 79.3 | Confident | 91 Ų | 91 | 44.4 Ų | 44.4 | 43% | 0.425 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.8 | -40 | 176.3 | -166.8 | -173.1 | 66.6 | 0 | 0 | 110.9 | A309 Y310 S311 R316 R317 | A309-Q313 PolarHBondContact O-N 3.34Å; A309-Q313 VanDerWaalsContact O-N 3.15Å; Y310-Q313 WeakPolarHBondContact O-CB 3.35Å; Y310-Q313 PolarHBondContact O-N 3.45Å; Y310-Q313 VanDerWaalsContact O-N 3.12Å; S311-Q313 PolarHBondContact O-N 2.77Å; Q313-R316 PolarHBondContact O-N 3.3Å; Q313-R317 PolarHBondContact O-N 2.76Å |
| 314 | M | 80.3 | Confident | 79.1 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 19% | 0.192 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.7 | -30.5 | 179.2 | -156.3 | 63.2 | -178.4 | 0 | 0 | 113.3 | I281 E282 Y310 S311 R312 R316 R317 T318 | I281-M314 HydrophobicContact CD1-CB 3.8Å; I281-M314 HydrophobicContact CD1-CG 4.13Å; E282-M314 WeakPolarHBondContact OE1-CE 3.46Å; Y310-M314 PolarHBondContact O-N 3.5Å; S311-M314 CarbonylContact O-C 3.55Å; S311-M314 PolarHBondContact O-N 3.05Å; R312-M314 VanDerWaalsContact C-N 3.26Å; R312-M314 PolarHBondContact O-N 3.22Å; M314-R316 VanDerWaalsContact C-N 3.26Å; M314-R316 PolarHBondContact O-N 2.92Å; M314-R317 PolarHBondContact O-N 3.37Å; M314-R317 HydrophobicContact SD-CB 4.25Å; M314-T318 HydrophobicContact CE-CG2 4.36Å; M314-T318 HydrophobicContact CG-CG2 4.41Å; M314-T318 WeakPolarHBondContact O-CB 3.42Å; M314-T318 WeakPolarHBondContact O-CG2 3.48Å; M314-T318 PolarHBondContact O-N 3.47Å; M314-T318 PolarHBondContact O-OG1 2.71Å |
| 315 | M | 82.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.9 | -18.2 | 170.4 | -74.2 | -176.6 | 77.6 | 0 | 0 | 114 | I281 L302 F305 S311 R312 A320 L321 L324 F347 | I281-M315 HydrophobicContact CD1-CG 3.8Å; I281-M315 HydrophobicContact CG1-CG 4.35Å; I281-M315 HydrophobicContact CG2-CG 4.22Å; L302-M315 WeakPolarHBondContact O-CE 3.42Å; F305-M315 HydrophobicContact CB-CG 4.23Å; F305-M315 HydrophobicContact CB-SD 3.43Å; F305-M315 WeakPolarHBondContact CB-SD 3.33Å; S311-M315 WeakPolarHBondContact O-CB 3.4Å; S311-M315 WeakPolarHBondContact O-CG 3.47Å; S311-M315 PolarHBondContact O-N 3.43Å; R312-M315 PolarHBondContact O-N 2.98Å; M315-A320 HydrophobicContact CB-CB 4.36Å; M315-A320 HydrophobicContact CE-CB 4.29Å; M315-A320 HydrophobicContact CG-CB 4.25Å; M315-L321 VanDerWaalsContact O-CB 3.26Å; M315-L321 WeakPolarHBondContact O-CB 3.3Å; M315-L321 PolarHBondContact O-N 3.18Å; M315-L324 HydrophobicContact CE-CD1 3.53Å; M315-F347 HydrophobicContact CB-CE1 4.01Å; M315-F347 HydrophobicContact CB-CZ 3.78Å; M315-F347 HydrophobicContact CE-CE2 4.49Å; M315-F347 HydrophobicContact CE-CZ 4.14Å; M315-F347 HydrophobicContact CG-CZ 4.4Å; M315-F347 HydrophobicContact SD-CE2 4.43Å; M315-F347 HydrophobicContact SD-CZ 3.77Å |
| 316 | R | 75.6 | Confident | 77.8 | Confident | 131 Ų | 131 | 46.6 Ų | 46.6 | 49% | 0.494 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -83.7 | -31.1 | 168.6 | -69.8 | 171.3 | 176.9 | 162.7 | -0.2 | 112.6 | R312 Q313 M314 L321 F347 | R312-R316 WeakPolarHBondContact O-CG 3.29Å; R312-R316 PolarHBondContact O-N 3.17Å; R312-R316 VanDerWaalsContact O-N 3.12Å; Q313-R316 PolarHBondContact O-N 3.3Å; M314-R316 VanDerWaalsContact C-N 3.26Å; M314-R316 PolarHBondContact O-N 2.92Å; R316-L321 HydrophobicContact CG-CD2 4.03Å; R316-F347 HydrophobicContact CG-CD1 4.25Å; R316-F347 HydrophobicContact CG-CE1 4.23Å; R316-F347 PolarHBondContact NH2-O 3.43Å |
| 317 | R | 78.9 | Confident | 77.7 | Confident | 171 Ų | 171 | 47.6 Ų | 47.6 | 65% | 0.645 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -80.5 | -43.3 | 178.7 | -73.3 | 176.7 | 173.4 | 168.9 | 0.5 | 112.5 | Q313 M314 | Q313-R317 PolarHBondContact O-N 2.76Å; M314-R317 PolarHBondContact O-N 3.37Å; M314-R317 HydrophobicContact SD-CB 4.25Å |
| 318 | T | 74.4 | Confident | 77.4 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -76.2 | 153.1 | 166.1 | 63.1 | 0 | 0 | 0 | 0 | 109 | I281 E282 M314 A320 | I281-T318 HydrophobicContact CG2-CG2 4.19Å; I281-T318 VanDerWaalsContact CG2-OG1 3.27Å; I281-T318 WeakPolarHBondContact CG2-OG1 3.42Å; E282-T318 HydrophobicContact CG-CG2 3.65Å; E282-T318 WeakPolarHBondContact OE1-CG2 3.24Å; M314-T318 HydrophobicContact CE-CG2 4.36Å; M314-T318 HydrophobicContact CG-CG2 4.41Å; M314-T318 WeakPolarHBondContact O-CB 3.42Å; M314-T318 WeakPolarHBondContact O-CG2 3.48Å; M314-T318 PolarHBondContact O-N 3.47Å; M314-T318 PolarHBondContact O-OG1 2.71Å; T318-A320 PolarHBondContact O-N 3.26Å |
| 319 | S | 78.3 | Confident | 76.8 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 43% | 0.427 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 26.8 | 177.4 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | Y323 | S319-Y323 VanDerWaalsContact O-CB 3.3Å; S319-Y323 WeakPolarHBondContact O-CB 3.44Å; S319-Y323 PolarHBondContact O-N 2.89Å; S319-Y323 VanDerWaalsContact O-N 3.17Å |
| 320 | A | 83.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -48.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I281 L285 L302 M315 T318 L322 Y323 L324 | I281-A320 HydrophobicContact CG2-CB 3.76Å; L285-A320 HydrophobicContact CD2-CB 4.25Å; L302-A320 HydrophobicContact CD1-CB 3.97Å; L302-A320 HydrophobicContact CD2-CB 4.38Å; L302-A320 HydrophobicContact CG-CB 4.41Å; M315-A320 HydrophobicContact CB-CB 4.36Å; M315-A320 HydrophobicContact CE-CB 4.29Å; M315-A320 HydrophobicContact CG-CB 4.25Å; T318-A320 PolarHBondContact O-N 3.26Å; A320-L322 PolarHBondContact O-N 3.45Å; A320-Y323 PolarHBondContact O-N 2.95Å; A320-Y323 VanDerWaalsContact O-N 3.15Å; A320-L324 WeakPolarHBondContact O-CG 3.23Å; A320-L324 PolarHBondContact O-N 2.76Å |
| 321 | L | 75.9 | Confident | 76 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | -178.3 | -175.2 | 60.9 | 0 | 0 | 0 | 112.5 | M315 R316 L324 A325 F344 F347 W385 | M315-L321 VanDerWaalsContact O-CB 3.26Å; M315-L321 WeakPolarHBondContact O-CB 3.3Å; M315-L321 PolarHBondContact O-N 3.18Å; R316-L321 HydrophobicContact CG-CD2 4.03Å; L321-L324 PolarHBondContact O-N 3.14Å; L321-A325 PolarHBondContact O-N 2.7Å; L321-F344 HydrophobicContact CD1-CD1 3.92Å; L321-F344 HydrophobicContact CD1-CE1 3.98Å; L321-F347 HydrophobicContact CD1-CD1 4.1Å; L321-F347 HydrophobicContact CD1-CD2 3.68Å; L321-F347 HydrophobicContact CD1-CE1 4.1Å; L321-F347 HydrophobicContact CD1-CE2 3.71Å; L321-F347 HydrophobicContact CD1-CG 3.9Å; L321-F347 HydrophobicContact CD1-CZ 3.92Å; L321-F347 HydrophobicContact CD2-CD1 3.65Å; L321-F347 HydrophobicContact CD2-CE1 3.92Å; L321-F347 HydrophobicContact CD2-CG 4.06Å; L321-W385 HydrophobicContact CD2-CE3 4.15Å; L321-W385 HydrophobicContact CD2-CH2 3.42Å; L321-W385 VanDerWaalsContact CD2-CH2 3.42Å; L321-W385 HydrophobicContact CD2-CZ2 3.96Å; L321-W385 HydrophobicContact CD2-CZ3 3.52Å; L321-W385 HydrophobicContact CG-CH2 3.64Å; L321-W385 HydrophobicContact CG-CZ2 4.09Å; L321-W385 HydrophobicContact CG-CZ3 4.24Å |
| 322 | L | 71.6 | Confident | 75 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 41% | 0.408 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 173.4 | -72.7 | 167.7 | 0 | 0 | 0 | 112.2 | A320 A325 E326 I383 W385 | A320-L322 PolarHBondContact O-N 3.45Å; L322-A325 PolarHBondContact O-N 2.95Å; L322-E326 PolarHBondContact O-N 3.01Å; L322-I383 HydrophobicContact CD2-CB 4.34Å; L322-I383 HydrophobicContact CD2-CD1 3.95Å; L322-W385 HydrophobicContact CD2-CZ2 3.8Å; L322-W385 HydrophobicContact CG-CZ2 4.2Å |
| 323 | Y | 81.8 | Confident | 74.5 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.6 | -31.7 | 179.6 | 179.1 | -103.9 | 0 | 0 | 0 | 113 | L285 C288 K289 L302 S319 A320 I327 | L285-Y323 HydrophobicContact CD1-CD1 3.39Å; L285-Y323 HydrophobicContact CD1-CD2 4.49Å; L285-Y323 HydrophobicContact CD1-CE1 4.11Å; L285-Y323 HydrophobicContact CD1-CG 3.6Å; C288-Y323 HydrophobicContact CB-CD1 4.45Å; C288-Y323 HydrophobicContact CB-CE1 3.35Å; C288-Y323 WeakPolarHBondContact CB-OH 3.25Å; C288-Y323 PolarHBondContact O-OH 2.97Å; K289-Y323 HydrophobicContact CD-CD2 4.43Å; K289-Y323 HydrophobicContact CD-CE2 4.32Å; K289-Y323 HydrophobicContact CG-CD2 4.24Å; K289-Y323 HydrophobicContact CG-CE2 3.67Å; L302-Y323 HydrophobicContact CD2-CD1 4.03Å; S319-Y323 VanDerWaalsContact O-CB 3.3Å; S319-Y323 WeakPolarHBondContact O-CB 3.44Å; S319-Y323 PolarHBondContact O-N 2.89Å; S319-Y323 VanDerWaalsContact O-N 3.17Å; A320-Y323 PolarHBondContact O-N 2.95Å; A320-Y323 VanDerWaalsContact O-N 3.15Å; Y323-I327 HydrophobicContact CD1-CD1 3.87Å; Y323-I327 HydrophobicContact CE1-CD1 3.34Å; Y323-I327 HydrophobicContact CE1-CG1 4.45Å; Y323-I327 HydrophobicContact CE2-CD1 4.25Å; Y323-I327 WeakPolarHBondContact O-CG1 3.41Å; Y323-I327 PolarHBondContact O-N 2.82Å; Y323-I327 VanDerWaalsContact O-N 3.15Å |
| 324 | L | 82.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 169.9 | -68.8 | -173.8 | 0 | 0 | 0 | 111.7 | I299 L302 A303 M315 A320 L321 I327 F328 L340 F344 | I299-L324 HydrophobicContact CG2-CD2 4.09Å; L302-L324 HydrophobicContact CB-CD2 4.26Å; L302-L324 HydrophobicContact CD2-CD2 3.8Å; L302-L324 HydrophobicContact CD2-CG 4.2Å; L302-L324 HydrophobicContact CG-CD1 4.49Å; L302-L324 HydrophobicContact CG-CD2 4.09Å; L302-L324 HydrophobicContact CG-CG 4.39Å; A303-L324 HydrophobicContact CB-CD1 4.31Å; M315-L324 HydrophobicContact CE-CD1 3.53Å; A320-L324 WeakPolarHBondContact O-CG 3.23Å; A320-L324 PolarHBondContact O-N 2.76Å; L321-L324 PolarHBondContact O-N 3.14Å; L324-I327 PolarHBondContact O-N 2.57Å; L324-F328 WeakPolarHBondContact O-CB 3.31Å; L324-F328 PolarHBondContact O-N 2.9Å; L324-L340 HydrophobicContact CB-CD2 4.08Å; L324-L340 HydrophobicContact CD1-CD2 4.39Å; L324-L340 HydrophobicContact CD2-CD2 3.74Å; L324-L340 HydrophobicContact CG-CD2 4.28Å; L324-F344 HydrophobicContact CB-CE1 4Å; L324-F344 HydrophobicContact CB-CZ 4.05Å |
| 325 | A | 69.3 | Low | 72.9 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L321 L322 I327 F328 E329 F344 | L321-A325 PolarHBondContact O-N 2.7Å; L322-A325 PolarHBondContact O-N 2.95Å; A325-I327 PolarHBondContact O-N 3.17Å; A325-F328 WeakPolarHBondContact O-CB 3.27Å; A325-F328 PolarHBondContact O-N 3.08Å; A325-E329 WeakPolarHBondContact O-CG 3.4Å; A325-E329 PolarHBondContact O-N 2.97Å; A325-F344 HydrophobicContact CB-CZ 4.33Å |
| 326 | E | 74 | Confident | 72.4 | Confident | 73 Ų | 73 | 65 Ų | 65 | 34% | 0.341 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -31.6 | 175.4 | -173.7 | -174.6 | -172.6 | 0 | 0 | 112.9 | L322 R330 | L322-E326 PolarHBondContact O-N 3.01Å; E326-R330 WeakPolarHBondContact O-CG 3.36Å; E326-R330 IonicContact OE1-CZ 3.77Å; E326-R330 IonicContact OE1-NH1 2.72Å; E326-R330 PolarHBondContact OE1-NH1 3.09Å; E326-R330 IonicContact OE1-NH2 2.81Å; E326-R330 PolarHBondContact OE1-NH2 2.97Å |
| 327 | I | 79.4 | Confident | 72 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.5 | -43.5 | 173.1 | -73.1 | 164.4 | 0 | 0 | 0 | 111.1 | I299 Y323 L324 A325 E329 R330 S331 L336 L340 | I299-I327 HydrophobicContact CD1-CD1 3.7Å; I299-I327 HydrophobicContact CD1-CG2 4.23Å; I299-I327 HydrophobicContact CG1-CD1 3.78Å; Y323-I327 HydrophobicContact CD1-CD1 3.87Å; Y323-I327 HydrophobicContact CE1-CD1 3.34Å; Y323-I327 HydrophobicContact CE1-CG1 4.45Å; Y323-I327 HydrophobicContact CE2-CD1 4.25Å; Y323-I327 WeakPolarHBondContact O-CG1 3.41Å; Y323-I327 PolarHBondContact O-N 2.82Å; Y323-I327 VanDerWaalsContact O-N 3.15Å; L324-I327 PolarHBondContact O-N 2.57Å; A325-I327 PolarHBondContact O-N 3.17Å; I327-E329 VanDerWaalsContact C-N 3.3Å; I327-E329 PolarHBondContact O-N 3.4Å; I327-R330 CarbonylContact O-C 3.59Å; I327-R330 PolarHBondContact O-N 2.84Å; I327-S331 WeakPolarHBondContact O-CB 3.37Å; I327-S331 PolarHBondContact O-N 3.24Å; I327-S331 VanDerWaalsContact O-N 3.11Å; I327-L336 HydrophobicContact CG2-CD2 4.17Å; I327-L340 HydrophobicContact CG2-CD1 4.02Å |
| 328 | F | 69.8 | Low | 71.3 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.044 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 179.4 | -174 | -101.1 | 0 | 0 | 0 | 112.1 | L324 A325 R330 N337 L340 L341 F344 C354 L357 F358 | L324-F328 WeakPolarHBondContact O-CB 3.31Å; L324-F328 PolarHBondContact O-N 2.9Å; A325-F328 WeakPolarHBondContact O-CB 3.27Å; A325-F328 PolarHBondContact O-N 3.08Å; F328-R330 PolarHBondContact O-N 3.44Å; F328-N337 HydrophobicContact CD2-CB 4.29Å; F328-N337 HydrophobicContact CE2-CB 3.97Å; F328-N337 WeakPolarHBondContact CE2-O 3.3Å; F328-L340 HydrophobicContact CB-CD1 4.05Å; F328-L340 HydrophobicContact CD2-CB 3.73Å; F328-L340 HydrophobicContact CD2-CD1 4.05Å; F328-L340 HydrophobicContact CE2-CB 4.35Å; F328-L341 HydrophobicContact CE2-CD1 4.32Å; F328-L341 HydrophobicContact CE2-CG 3.9Å; F328-L341 HydrophobicContact CZ-CD1 4.22Å; F328-L341 HydrophobicContact CZ-CD2 4.48Å; F328-L341 HydrophobicContact CZ-CG 3.89Å; F328-F344 HydrophobicContact CB-CE2 4.01Å; F328-F344 HydrophobicContact CB-CZ 4.28Å; F328-F344 HydrophobicContact CD1-CE2 4.32Å; F328-F344 AromaticContact CD2-CE2 3.98Å; F328-F344 HydrophobicContact CD2-CE2 3.98Å; F328-F344 HydrophobicContact CE2-CE2 4.47Å; F328-F344 AromaticContact CG-CE2 3.86Å; F328-F344 HydrophobicContact CG-CE2 3.86Å; F328-C354 HydrophobicContact CE1-CB 4.04Å; F328-C354 WeakPolarHBondContact CE1-O 3.42Å; F328-C354 HydrophobicContact CZ-CB 4.35Å; F328-C354 WeakPolarHBondContact CZ-O 3.21Å; F328-L357 HydrophobicContact CE1-CB 4.05Å; F328-F358 HydrophobicContact CE2-CD2 4.39Å; F328-F358 HydrophobicContact CZ-CB 4Å; F328-F358 HydrophobicContact CZ-CD2 4.21Å |
| 329 | E | 62.9 | Low | 71.1 | Confident | 109 Ų | 109 | 54.1 Ų | 54.1 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.5 | 174.3 | -71.3 | 168.9 | -170.3 | 0 | 0 | 114.4 | A325 I327 L357 | A325-E329 WeakPolarHBondContact O-CG 3.4Å; A325-E329 PolarHBondContact O-N 2.97Å; I327-E329 VanDerWaalsContact C-N 3.3Å; I327-E329 PolarHBondContact O-N 3.4Å; E329-L357 HydrophobicContact CG-CD1 4.11Å |
| 330 | R | 68.9 | Low | 71 | Confident | 169 Ų | 169 | 51.2 Ų | 51.2 | 64% | 0.638 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | 24.7 | -175.2 | -57.9 | -174.5 | -167 | 139.2 | 10.4 | 113.3 | E326 I327 F328 | E326-R330 WeakPolarHBondContact O-CG 3.36Å; E326-R330 IonicContact OE1-CZ 3.77Å; E326-R330 IonicContact OE1-NH1 2.72Å; E326-R330 PolarHBondContact OE1-NH1 3.09Å; E326-R330 IonicContact OE1-NH2 2.81Å; E326-R330 PolarHBondContact OE1-NH2 2.97Å; I327-R330 CarbonylContact O-C 3.59Å; I327-R330 PolarHBondContact O-N 2.84Å; F328-R330 PolarHBondContact O-N 3.44Å |
| 331 | S | 67.2 | Low | 70.2 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | trans | -119.4 | 108.2 | -172.1 | 168 | 0 | 0 | 0 | 0 | 111.3 | I327 K333 N337 | I327-S331 WeakPolarHBondContact O-CB 3.37Å; I327-S331 PolarHBondContact O-N 3.24Å; I327-S331 VanDerWaalsContact O-N 3.11Å; S331-K333 PolarHBondContact O-N 2.86Å; S331-K333 PolarHBondContact OG-N 3.18Å; S331-N337 WeakPolarHBondContact CB-OD1 3.32Å; S331-N337 PolarHBondContact O-ND2 2.89Å; S331-N337 PolarHBondContact O-OD1 3.16Å; S331-N337 PolarHBondContact OG-OD1 3.14Å | ||
| 332 | D | 62.8 | Low | 69.8 | Low | 164 Ų | 164 | 57.8 Ų | 57.8 | 88% | 0.877 | 27% | 0.269 | S | S | * | . | trans | -77.5 | 6.2 | 175.1 | -33 | -50.5 | 0 | 0 | 0 | 112.4 | ||||
| 333 | K | 67.7 | Low | 69.9 | Low | 104 Ų | 104 | 54.3 Ų | 54.3 | 45% | 0.452 | 25% | 0.252 | S | S | . | . | trans | -100.2 | 96.8 | -172.4 | -68 | 177.4 | -179.1 | 175.3 | 0 | 111.1 | D296 S331 Q335 L336 N337 | D296-K333 IonicContact OD1-NZ 3.64Å; D296-K333 PolarHBondContact OD1-NZ 3.42Å; D296-K333 IonicContact OD2-NZ 2.9Å; D296-K333 PolarHBondContact OD2-NZ 2.86Å; S331-K333 PolarHBondContact O-N 2.86Å; S331-K333 PolarHBondContact OG-N 3.18Å; K333-Q335 VanDerWaalsContact C-N 3.33Å; K333-Q335 PolarHBondContact O-N 2.9Å; K333-L336 HydrophobicContact CB-CB 3.84Å; K333-L336 HydrophobicContact CD-CD2 4.5Å; K333-L336 WeakPolarHBondContact O-CA 3.44Å; K333-L336 WeakPolarHBondContact O-CB 3.45Å; K333-L336 PolarHBondContact O-N 3.06Å; K333-N337 PolarHBondContact O-N 2.77Å; K333-N337 PolarHBondContact O-OD1 2.87Å | ||
| 334 | L | 60 | Low | 69.4 | Low | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -44.2 | -51.4 | 178.4 | -165 | 80.1 | 0 | 0 | 0 | 113.5 | L336 N337 E338 F358 N362 | L334-L336 VanDerWaalsContact C-N 3.26Å; L334-L336 PolarHBondContact O-N 3.29Å; L334-N337 WeakPolarHBondContact O-CB 3.36Å; L334-N337 PolarHBondContact O-N 3.21Å; L334-N337 VanDerWaalsContact O-N 3.09Å; L334-E338 PolarHBondContact O-N 3.19Å; L334-F358 HydrophobicContact CD1-CE2 4.15Å; L334-F358 HydrophobicContact CD1-CZ 3.78Å; L334-N362 HydrophobicContact CD1-CB 4.31Å |
| 335 | Q | 65.4 | Low | 68.5 | Low | 146 Ų | 146 | 55.9 Ų | 55.9 | 68% | 0.682 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.1 | -27.7 | 178.9 | -67.1 | -174.5 | 0.6 | 0 | 0 | 114.5 | K333 | K333-Q335 VanDerWaalsContact C-N 3.33Å; K333-Q335 PolarHBondContact O-N 2.9Å |
| 336 | L | 71.7 | Confident | 68.4 | Low | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78.9 | -41.9 | 174.4 | -168.5 | 64.4 | 0 | 0 | 0 | 109.6 | I299 I327 K333 L334 L339 L340 | I299-L336 HydrophobicContact CB-CD1 4.42Å; I299-L336 HydrophobicContact CD1-CD2 4.41Å; I299-L336 HydrophobicContact CG2-CD1 3.84Å; I327-L336 HydrophobicContact CG2-CD2 4.17Å; K333-L336 HydrophobicContact CB-CB 3.84Å; K333-L336 HydrophobicContact CD-CD2 4.5Å; K333-L336 WeakPolarHBondContact O-CA 3.44Å; K333-L336 WeakPolarHBondContact O-CB 3.45Å; K333-L336 PolarHBondContact O-N 3.06Å; L334-L336 VanDerWaalsContact C-N 3.26Å; L334-L336 PolarHBondContact O-N 3.29Å; L336-L339 PolarHBondContact O-N 3.32Å; L336-L340 HydrophobicContact CG-CD1 4.05Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 VanDerWaalsContact O-CG 3.23Å; L336-L340 WeakPolarHBondContact O-CG 3.16Å; L336-L340 PolarHBondContact O-N 3.4Å |
| 337 | N | 66.8 | Low | 67.9 | Low | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 179.1 | -63.1 | -5.8 | 0 | 0 | 0 | 111.6 | F328 S331 K333 L334 L339 L340 L341 F358 | F328-N337 HydrophobicContact CD2-CB 4.29Å; F328-N337 HydrophobicContact CE2-CB 3.97Å; F328-N337 WeakPolarHBondContact CE2-O 3.3Å; S331-N337 WeakPolarHBondContact CB-OD1 3.32Å; S331-N337 PolarHBondContact O-ND2 2.89Å; S331-N337 PolarHBondContact O-OD1 3.16Å; S331-N337 PolarHBondContact OG-OD1 3.14Å; K333-N337 PolarHBondContact O-N 2.77Å; K333-N337 PolarHBondContact O-OD1 2.87Å; L334-N337 WeakPolarHBondContact O-CB 3.36Å; L334-N337 PolarHBondContact O-N 3.21Å; L334-N337 VanDerWaalsContact O-N 3.09Å; N337-L339 VanDerWaalsContact C-N 3.33Å; N337-L339 PolarHBondContact O-N 2.91Å; N337-L340 PolarHBondContact O-N 3.2Å; N337-L341 WeakPolarHBondContact O-CB 3.07Å; N337-L341 PolarHBondContact O-N 2.89Å; N337-F358 HydrophobicContact CB-CD2 3.94Å; N337-F358 HydrophobicContact CB-CE2 3.68Å |
| 338 | E | 62.9 | Low | 66.5 | Low | 32 Ų | 32 | 60.5 Ų | 60.5 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 172.7 | -73.4 | -149.9 | 155.5 | 0 | 0 | 112.6 | L334 L340 L341 R342 S471 | L334-E338 PolarHBondContact O-N 3.19Å; E338-L340 VanDerWaalsContact C-N 3.34Å; E338-L341 WeakPolarHBondContact O-CB 3.28Å; E338-L341 PolarHBondContact O-N 2.88Å; E338-R342 VanDerWaalsContact O-CG 3.3Å; E338-R342 WeakPolarHBondContact O-CG 3.15Å; E338-R342 PolarHBondContact O-N 2.92Å; E338-R342 IonicContact OE2-CZ 3.07Å; E338-R342 IonicContact OE2-NH2 2.7Å; E338-R342 PolarHBondContact OE2-NH2 2.82Å; E338-S471 WeakPolarHBondContact OE1-CB 3.34Å; E338-S471 PolarHBondContact OE1-OG 3.31Å |
| 339 | L | 71.5 | Confident | 65.2 | Low | 56 Ų | 56 | 61.9 Ų | 61.9 | 29% | 0.293 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | -177.5 | -176.3 | 145.1 | 0 | 0 | 0 | 111.6 | R300 A303 L336 N337 A343 | R300-L339 HydrophobicContact CG-CD1 4.04Å; R300-L339 HydrophobicContact CG-CD2 4.26Å; A303-L339 HydrophobicContact CB-CD2 3.51Å; L336-L339 PolarHBondContact O-N 3.32Å; N337-L339 VanDerWaalsContact C-N 3.33Å; N337-L339 PolarHBondContact O-N 2.91Å; L339-A343 PolarHBondContact O-N 3.11Å; L339-A343 VanDerWaalsContact O-N 3.11Å |
| 340 | L | 75.7 | Confident | 64.6 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69 | -42.5 | 171.2 | -68.1 | 170.6 | 0 | 0 | 0 | 111.6 | I299 A303 L324 I327 F328 L336 N337 E338 A343 F344 | I299-L340 HydrophobicContact CG2-CD2 4.07Å; A303-L340 HydrophobicContact CB-CD2 4.47Å; L324-L340 HydrophobicContact CB-CD2 4.08Å; L324-L340 HydrophobicContact CD1-CD2 4.39Å; L324-L340 HydrophobicContact CD2-CD2 3.74Å; L324-L340 HydrophobicContact CG-CD2 4.28Å; I327-L340 HydrophobicContact CG2-CD1 4.02Å; F328-L340 HydrophobicContact CB-CD1 4.05Å; F328-L340 HydrophobicContact CD2-CB 3.73Å; F328-L340 HydrophobicContact CD2-CD1 4.05Å; F328-L340 HydrophobicContact CE2-CB 4.35Å; L336-L340 HydrophobicContact CG-CD1 4.05Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 VanDerWaalsContact O-CG 3.23Å; L336-L340 WeakPolarHBondContact O-CG 3.16Å; L336-L340 PolarHBondContact O-N 3.4Å; N337-L340 PolarHBondContact O-N 3.2Å; E338-L340 VanDerWaalsContact C-N 3.34Å; L340-A343 WeakPolarHBondContact O-CB 3.24Å; L340-A343 PolarHBondContact O-N 2.81Å; L340-A343 VanDerWaalsContact O-N 3.17Å; L340-F344 HydrophobicContact CB-CE2 3.97Å; L340-F344 HydrophobicContact CB-CZ 4.46Å; L340-F344 WeakPolarHBondContact O-CD2 3.38Å; L340-F344 VanDerWaalsContact O-CG 3.28Å; L340-F344 WeakPolarHBondContact O-CG 3.46Å; L340-F344 PolarHBondContact O-N 2.87Å |
| 341 | L | 66.6 | Low | 63.6 | Low | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.5 | -53.8 | 172 | -98.8 | 164.8 | 0 | 0 | 0 | 111.1 | F328 N337 E338 A343 F344 V345 C354 L355 F358 | F328-L341 HydrophobicContact CE2-CD1 4.32Å; F328-L341 HydrophobicContact CE2-CG 3.9Å; F328-L341 HydrophobicContact CZ-CD1 4.22Å; F328-L341 HydrophobicContact CZ-CD2 4.48Å; F328-L341 HydrophobicContact CZ-CG 3.89Å; N337-L341 WeakPolarHBondContact O-CB 3.07Å; N337-L341 PolarHBondContact O-N 2.89Å; E338-L341 WeakPolarHBondContact O-CB 3.28Å; E338-L341 PolarHBondContact O-N 2.88Å; L341-A343 PolarHBondContact O-N 3.24Å; L341-F344 PolarHBondContact O-N 3.39Å; L341-V345 WeakPolarHBondContact O-CG2 3.16Å; L341-V345 PolarHBondContact O-N 3.13Å; L341-C354 HydrophobicContact CD2-CB 4.35Å; L341-L355 HydrophobicContact CD2-CD2 3.69Å; L341-L355 HydrophobicContact CD2-CG 3.99Å; L341-F358 HydrophobicContact CD1-CB 3.97Å; L341-F358 HydrophobicContact CD1-CD1 4.03Å; L341-F358 HydrophobicContact CD1-CD2 3.6Å; L341-F358 HydrophobicContact CD1-CE1 4.44Å; L341-F358 HydrophobicContact CD1-CE2 4.05Å; L341-F358 HydrophobicContact CD1-CG 3.58Å; L341-F358 HydrophobicContact CD1-CZ 4.45Å |
| 342 | R | 67.2 | Low | 62.6 | Low | 142 Ų | 142 | 54.7 Ų | 54.7 | 54% | 0.536 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -54.8 | -38.1 | 176.5 | -68.5 | 175 | -156.6 | -152.2 | 8.8 | 111.8 | E338 L474 | E338-R342 VanDerWaalsContact O-CG 3.3Å; E338-R342 WeakPolarHBondContact O-CG 3.15Å; E338-R342 PolarHBondContact O-N 2.92Å; E338-R342 IonicContact OE2-CZ 3.07Å; E338-R342 IonicContact OE2-NH2 2.7Å; E338-R342 PolarHBondContact OE2-NH2 2.82Å; R342-L474 HydrophobicContact CG-CD2 4.29Å |
| 343 | A | 73.3 | Confident | 61.8 | Low | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.6 | -43.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A303 A306 L339 L340 L341 V345 C346 F347 | A303-A343 HydrophobicContact CB-CB 3.98Å; A306-A343 HydrophobicContact CB-CB 3.71Å; A306-A343 WeakPolarHBondContact CB-O 3.43Å; L339-A343 PolarHBondContact O-N 3.11Å; L339-A343 VanDerWaalsContact O-N 3.11Å; L340-A343 WeakPolarHBondContact O-CB 3.24Å; L340-A343 PolarHBondContact O-N 2.81Å; L340-A343 VanDerWaalsContact O-N 3.17Å; L341-A343 PolarHBondContact O-N 3.24Å; A343-V345 VanDerWaalsContact C-N 3.32Å; A343-V345 PolarHBondContact O-N 3.04Å; A343-C346 PolarHBondContact O-N 2.88Å; A343-F347 WeakPolarHBondContact O-CD2 3.21Å |
| 344 | F | 71.8 | Confident | 60.9 | Low | 12 Ų | 12 | 47.3 Ų | 47.3 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -31.9 | 178.4 | -62.5 | -46 | 0 | 0 | 0 | 113.3 | L321 L324 A325 F328 L340 L341 C346 F347 L351 C354 | L321-F344 HydrophobicContact CD1-CD1 3.92Å; L321-F344 HydrophobicContact CD1-CE1 3.98Å; L324-F344 HydrophobicContact CB-CE1 4Å; L324-F344 HydrophobicContact CB-CZ 4.05Å; A325-F344 HydrophobicContact CB-CZ 4.33Å; F328-F344 HydrophobicContact CB-CE2 4.01Å; F328-F344 HydrophobicContact CB-CZ 4.28Å; F328-F344 HydrophobicContact CD1-CE2 4.32Å; F328-F344 AromaticContact CD2-CE2 3.98Å; F328-F344 HydrophobicContact CD2-CE2 3.98Å; F328-F344 HydrophobicContact CE2-CE2 4.47Å; F328-F344 AromaticContact CG-CE2 3.86Å; F328-F344 HydrophobicContact CG-CE2 3.86Å; L340-F344 HydrophobicContact CB-CE2 3.97Å; L340-F344 HydrophobicContact CB-CZ 4.46Å; L340-F344 WeakPolarHBondContact O-CD2 3.38Å; L340-F344 VanDerWaalsContact O-CG 3.28Å; L340-F344 WeakPolarHBondContact O-CG 3.46Å; L340-F344 PolarHBondContact O-N 2.87Å; L341-F344 PolarHBondContact O-N 3.39Å; F344-C346 PolarHBondContact O-N 3.43Å; F344-F347 PolarHBondContact O-N 3.21Å; F344-L351 HydrophobicContact CB-CD1 4.22Å; F344-C354 HydrophobicContact CD2-CB 4.07Å |
| 345 | V | 63.8 | Low | 60.4 | Low | 40 Ų | 40 | 45 Ų | 45 | 24% | 0.242 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -50.9 | -46.7 | 173.3 | 176 | 0 | 0 | 0 | 0 | 111.2 | L341 A343 F347 R348 L351 L478 | L341-V345 WeakPolarHBondContact O-CG2 3.16Å; L341-V345 PolarHBondContact O-N 3.13Å; A343-V345 VanDerWaalsContact C-N 3.32Å; A343-V345 PolarHBondContact O-N 3.04Å; V345-F347 PolarHBondContact O-N 2.86Å; V345-F347 VanDerWaalsContact O-N 3.13Å; V345-R348 PolarHBondContact O-N 3.41Å; V345-L351 HydrophobicContact CB-CD1 4.39Å; V345-L351 HydrophobicContact CG2-CD1 3.81Å; V345-L351 HydrophobicContact CG2-CD2 4.18Å; V345-L478 HydrophobicContact CB-CD2 4.34Å; V345-L478 HydrophobicContact CG1-CD2 3.93Å; V345-L478 HydrophobicContact CG2-CD1 3.41Å; V345-L478 VanDerWaalsContact CG2-CD1 3.41Å; V345-L478 HydrophobicContact CG2-CD2 3.37Å; V345-L478 HydrophobicContact CG2-CG 3.97Å |
| 346 | C | 66.1 | Low | 59.6 | Low | 43 Ų | 43 | 39.7 Ų | 39.7 | 29% | 0.291 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.3 | -22.8 | -177.6 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | A306 R312 A343 F344 | A306-C346 HydrophobicContact CB-CB 4.16Å; A306-C346 WeakPolarHBondContact O-CB 3.48Å; R312-C346 WeakPolarHBondContact CD-O 3.38Å; R312-C346 PolarHBondContact NE-O 3.23Å; A343-C346 PolarHBondContact O-N 2.88Å; F344-C346 PolarHBondContact O-N 3.43Å |
| 347 | F | 63.6 | Low | 58.5 | Low | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10.7 | 177.7 | -70 | -86.3 | 0 | 0 | 0 | 114.3 | A306 R312 M315 R316 L321 A343 F344 V345 A349 | A306-F347 HydrophobicContact CB-CE2 3.76Å; A306-F347 HydrophobicContact CB-CZ 4.46Å; R312-F347 HydrophobicContact CB-CD1 4.21Å; R312-F347 HydrophobicContact CB-CE1 3.71Å; R312-F347 HydrophobicContact CB-CZ 4.18Å; R312-F347 HydrophobicContact CG-CD1 4.23Å; R312-F347 HydrophobicContact CG-CE1 3.8Å; R312-F347 HydrophobicContact CG-CE2 4.34Å; R312-F347 HydrophobicContact CG-CZ 3.85Å; R312-F347 WeakPolarHBondContact O-CE1 3.47Å; M315-F347 HydrophobicContact CB-CE1 4.01Å; M315-F347 HydrophobicContact CB-CZ 3.78Å; M315-F347 HydrophobicContact CE-CE2 4.49Å; M315-F347 HydrophobicContact CE-CZ 4.14Å; M315-F347 HydrophobicContact CG-CZ 4.4Å; M315-F347 HydrophobicContact SD-CE2 4.43Å; M315-F347 HydrophobicContact SD-CZ 3.77Å; R316-F347 HydrophobicContact CG-CD1 4.25Å; R316-F347 HydrophobicContact CG-CE1 4.23Å; R316-F347 PolarHBondContact NH2-O 3.43Å; L321-F347 HydrophobicContact CD1-CD1 4.1Å; L321-F347 HydrophobicContact CD1-CD2 3.68Å; L321-F347 HydrophobicContact CD1-CE1 4.1Å; L321-F347 HydrophobicContact CD1-CE2 3.71Å; L321-F347 HydrophobicContact CD1-CG 3.9Å; L321-F347 HydrophobicContact CD1-CZ 3.92Å; L321-F347 HydrophobicContact CD2-CD1 3.65Å; L321-F347 HydrophobicContact CD2-CE1 3.92Å; L321-F347 HydrophobicContact CD2-CG 4.06Å; A343-F347 WeakPolarHBondContact O-CD2 3.21Å; F344-F347 PolarHBondContact O-N 3.21Å; V345-F347 PolarHBondContact O-N 2.86Å; V345-F347 VanDerWaalsContact O-N 3.13Å; F347-A349 PolarHBondContact O-N 2.82Å |
| 348 | R | 51.1 | Low | 57.6 | Low | 158 Ų | 158 | 42 Ų | 42 | 60% | 0.596 | 20% | 0.203 | S | C | * | . | trans | 58.5 | -13.6 | 174.7 | -62.7 | -178.8 | 175.8 | 167.7 | -3.5 | 117.8 | V345 | V345-R348 PolarHBondContact O-N 3.41Š| ||
| 349 | A | 43.1 | Very low | 56.8 | Low | 39 Ų | 39 | 41 Ų | 41 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -107 | 137.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | F347 L351 | F347-A349 PolarHBondContact O-N 2.82Å; A349-L351 PolarHBondContact O-N 3.38Å |
| 350 | K | 49.6 | Very low | 55.6 | Low | 95 Ų | 95 | 40.4 Ų | 40.4 | 41% | 0.413 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 62.1 | 19.1 | 177 | -54.2 | -172.7 | -176.3 | -179.6 | 0 | 116.2 | F352 H353 I383 N384 | K350-F352 PolarHBondContact O-N 3.15Å; K350-F352 VanDerWaalsContact O-N 3.17Å; K350-H353 PolarHBondContact O-N 2.94Å; K350-I383 HydrophobicContact CD-CG2 4.25Å; K350-N384 WeakPolarHBondContact CE-O 3.3Å; K350-N384 PolarHBondContact NZ-O 2.91Å |
| 351 | L | 48.5 | Very low | 54.1 | Low | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.6 | -38.7 | 176.6 | -169.1 | 65.3 | 0 | 0 | 0 | 112.6 | F344 V345 A349 H353 C354 L355 L478 L482 | F344-L351 HydrophobicContact CB-CD1 4.22Å; V345-L351 HydrophobicContact CB-CD1 4.39Å; V345-L351 HydrophobicContact CG2-CD1 3.81Å; V345-L351 HydrophobicContact CG2-CD2 4.18Å; A349-L351 PolarHBondContact O-N 3.38Å; L351-H353 VanDerWaalsContact C-N 3.29Å; L351-H353 PolarHBondContact O-N 3.07Å; L351-C354 PolarHBondContact O-N 3.5Å; L351-L355 HydrophobicContact CD2-CD1 4.37Å; L351-L355 HydrophobicContact CG-CD1 3.88Å; L351-L355 HydrophobicContact CG-CG 4.46Å; L351-L355 WeakPolarHBondContact O-CG 3.48Å; L351-L355 PolarHBondContact O-N 3.34Å; L351-L478 HydrophobicContact CD2-CB 4.21Å; L351-L482 HydrophobicContact CB-CD1 4.32Å; L351-L482 HydrophobicContact CB-CD2 4.44Å; L351-L482 HydrophobicContact CD2-CD1 4.43Å; L351-L482 HydrophobicContact CD2-CG 4.43Å |
| 352 | F | 44.8 | Very low | 52.9 | Low | 41 Ų | 41 | 46.4 Ų | 46.4 | 18% | 0.18 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -36 | 176.1 | -173.8 | -101.4 | 0 | 0 | 0 | 113.7 | K350 L355 T356 L479 L482 L492 V497 | K350-F352 PolarHBondContact O-N 3.15Å; K350-F352 VanDerWaalsContact O-N 3.17Å; F352-L355 PolarHBondContact O-N 3.36Å; F352-T356 WeakPolarHBondContact CE1-OG1 3.35Å; F352-T356 WeakPolarHBondContact CZ-OG1 3.46Å; F352-T356 WeakPolarHBondContact O-CB 3.5Å; F352-T356 PolarHBondContact O-N 2.97Å; F352-T356 PolarHBondContact O-OG1 2.99Å; F352-L479 HydrophobicContact CD2-CD2 3.78Å; F352-L479 HydrophobicContact CE2-CD2 4.07Å; F352-L482 HydrophobicContact CB-CD1 4.16Å; F352-L492 HydrophobicContact CD2-CD2 3.55Å; F352-L492 HydrophobicContact CE2-CD2 3.86Å; F352-L492 HydrophobicContact CG-CD2 4.39Å; F352-V497 HydrophobicContact CE1-CG2 3.77Å; F352-V497 HydrophobicContact CE2-CG1 3.69Å; F352-V497 HydrophobicContact CE2-CG2 4.16Å; F352-V497 HydrophobicContact CZ-CB 4.05Å; F352-V497 HydrophobicContact CZ-CG1 3.67Å; F352-V497 HydrophobicContact CZ-CG2 3.37Å |
| 353 | H | 47.4 | Very low | 51.6 | Low | 95 Ų | 95 | 40.8 Ų | 40.8 | 44% | 0.44 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72 | -39.3 | -179.7 | -161.2 | 64.7 | 0 | 0 | 0 | 111.4 | K350 L351 T356 L357 | K350-H353 PolarHBondContact O-N 2.94Å; L351-H353 VanDerWaalsContact C-N 3.29Å; L351-H353 PolarHBondContact O-N 3.07Å; H353-T356 PolarHBondContact O-N 2.89Å; H353-L357 WeakPolarHBondContact O-CB 3.27Å; H353-L357 WeakPolarHBondContact O-CG 3.35Å; H353-L357 PolarHBondContact O-N 2.87Å |
| 354 | C | 47.8 | Very low | 49.8 | Very low | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | 171.3 | -58 | 0 | 0 | 0 | 0 | 111.8 | F328 L341 F344 L351 F358 | F328-C354 HydrophobicContact CE1-CB 4.04Å; F328-C354 WeakPolarHBondContact CE1-O 3.42Å; F328-C354 HydrophobicContact CZ-CB 4.35Å; F328-C354 WeakPolarHBondContact CZ-O 3.21Å; L341-C354 HydrophobicContact CD2-CB 4.35Å; F344-C354 HydrophobicContact CD2-CB 4.07Å; L351-C354 PolarHBondContact O-N 3.5Å; C354-F358 WeakPolarHBondContact O-CB 3.15Å; C354-F358 PolarHBondContact O-N 3.17Å |
| 355 | L | 50.8 | Low | 48 | Very low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 174.4 | -72.7 | 162.7 | 0 | 0 | 0 | 111.7 | L341 L351 F352 F358 L359 C475 L478 L479 L482 | L341-L355 HydrophobicContact CD2-CD2 3.69Å; L341-L355 HydrophobicContact CD2-CG 3.99Å; L351-L355 HydrophobicContact CD2-CD1 4.37Å; L351-L355 HydrophobicContact CG-CD1 3.88Å; L351-L355 HydrophobicContact CG-CG 4.46Å; L351-L355 WeakPolarHBondContact O-CG 3.48Å; L351-L355 PolarHBondContact O-N 3.34Å; F352-L355 PolarHBondContact O-N 3.36Å; L355-F358 WeakPolarHBondContact O-CB 3Å; L355-F358 PolarHBondContact O-N 3.21Å; L355-L359 VanDerWaalsContact O-CG 3.28Å; L355-L359 WeakPolarHBondContact O-CG 3.44Å; L355-L359 PolarHBondContact O-N 3.36Å; L355-C475 HydrophobicContact CD2-CB 3.79Å; L355-C475 VanDerWaalsContact CD2-SG 3.56Å; L355-L478 HydrophobicContact CD1-CB 4.27Å; L355-L478 HydrophobicContact CD2-CD1 4.35Å; L355-L479 HydrophobicContact CD1-CD2 3.77Å; L355-L479 HydrophobicContact CD1-CG 3.97Å; L355-L482 HydrophobicContact CD1-CD1 4.46Å |
| 356 | T | 47.9 | Very low | 46.5 | Very low | 34 Ų | 34 | 46.4 Ų | 46.4 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 175.4 | -49.4 | 0 | 0 | 0 | 0 | 110.5 | F352 H353 F358 L359 N360 | F352-T356 WeakPolarHBondContact CE1-OG1 3.35Å; F352-T356 WeakPolarHBondContact CZ-OG1 3.46Å; F352-T356 WeakPolarHBondContact O-CB 3.5Å; F352-T356 PolarHBondContact O-N 2.97Å; F352-T356 PolarHBondContact O-OG1 2.99Å; H353-T356 PolarHBondContact O-N 2.89Å; T356-F358 VanDerWaalsContact C-N 3.27Å; T356-F358 PolarHBondContact O-N 3.23Å; T356-L359 PolarHBondContact O-N 3.37Å; T356-N360 WeakPolarHBondContact O-CB 3.45Å; T356-N360 PolarHBondContact O-N 3.17Å; T356-N360 PolarHBondContact O-OD1 2.95Å |
| 357 | L | 48.4 | Very low | 44.9 | Very low | 57 Ų | 57 | 46.3 Ų | 46.3 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.3 | -37.7 | 175.3 | -76.7 | 165.2 | 0 | 0 | 0 | 112.1 | F328 E329 H353 S361 | F328-L357 HydrophobicContact CE1-CB 4.05Å; E329-L357 HydrophobicContact CG-CD1 4.11Å; H353-L357 WeakPolarHBondContact O-CB 3.27Å; H353-L357 WeakPolarHBondContact O-CG 3.35Å; H353-L357 PolarHBondContact O-N 2.87Å; L357-S361 VanDerWaalsContact O-CB 3.28Å; L357-S361 WeakPolarHBondContact O-CB 3.48Å; L357-S361 PolarHBondContact O-N 2.62Å; L357-S361 PolarHBondContact O-OG 2.71Å |
| 358 | F | 47.5 | Very low | 43.3 | Very low | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -50.7 | 175.1 | -170.6 | -102.5 | 0 | 0 | 0 | 112.6 | F328 L334 N337 L341 C354 L355 T356 N360 S361 N362 | F328-F358 HydrophobicContact CE2-CD2 4.39Å; F328-F358 HydrophobicContact CZ-CB 4Å; F328-F358 HydrophobicContact CZ-CD2 4.21Å; L334-F358 HydrophobicContact CD1-CE2 4.15Å; L334-F358 HydrophobicContact CD1-CZ 3.78Å; N337-F358 HydrophobicContact CB-CD2 3.94Å; N337-F358 HydrophobicContact CB-CE2 3.68Å; L341-F358 HydrophobicContact CD1-CB 3.97Å; L341-F358 HydrophobicContact CD1-CD1 4.03Å; L341-F358 HydrophobicContact CD1-CD2 3.6Å; L341-F358 HydrophobicContact CD1-CE1 4.44Å; L341-F358 HydrophobicContact CD1-CE2 4.05Å; L341-F358 HydrophobicContact CD1-CG 3.58Å; L341-F358 HydrophobicContact CD1-CZ 4.45Å; C354-F358 WeakPolarHBondContact O-CB 3.15Å; C354-F358 PolarHBondContact O-N 3.17Å; L355-F358 WeakPolarHBondContact O-CB 3Å; L355-F358 PolarHBondContact O-N 3.21Å; T356-F358 VanDerWaalsContact C-N 3.27Å; T356-F358 PolarHBondContact O-N 3.23Å; F358-N360 VanDerWaalsContact C-N 3.34Å; F358-N360 PolarHBondContact O-N 3.17Å; F358-S361 PolarHBondContact O-N 3.01Å; F358-S361 PolarHBondContact O-OG 2.84Å; F358-N362 WeakPolarHBondContact CD2-ND2 3.32Å; F358-N362 WeakPolarHBondContact O-CB 3.48Å; F358-N362 PolarHBondContact O-N 3.49Å; F358-N362 PolarHBondContact O-ND2 3.48Å |
| 359 | L | 45.8 | Very low | 42.4 | Very low | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 179.2 | -65.3 | 171.6 | 0 | 0 | 0 | 110.9 | L355 T356 I363 G364 T500 | L355-L359 VanDerWaalsContact O-CG 3.28Å; L355-L359 WeakPolarHBondContact O-CG 3.44Å; L355-L359 PolarHBondContact O-N 3.36Å; T356-L359 PolarHBondContact O-N 3.37Å; L359-I363 HydrophobicContact CD2-CD1 3.66Å; L359-I363 CarbonylContact O-C 3.44Å; L359-I363 VanDerWaalsContact O-CA 3.25Å; L359-I363 WeakPolarHBondContact O-CA 3.45Å; L359-I363 VanDerWaalsContact O-CB 3.29Å; L359-I363 WeakPolarHBondContact O-CB 3.29Å; L359-I363 PolarHBondContact O-N 2.87Å; L359-G364 PolarHBondContact O-N 3.26Å; L359-T500 HydrophobicContact CD1-CG2 4.08Å |
| 360 | N | 47.4 | Very low | 41.6 | Very low | 45 Ų | 45 | 55.4 Ų | 55.4 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 178.3 | -65.7 | 21.7 | 0 | 0 | 0 | 112.4 | T356 F358 V365 P367 | T356-N360 WeakPolarHBondContact O-CB 3.45Å; T356-N360 PolarHBondContact O-N 3.17Å; T356-N360 PolarHBondContact O-OD1 2.95Å; F358-N360 VanDerWaalsContact C-N 3.34Å; F358-N360 PolarHBondContact O-N 3.17Å; N360-V365 WeakPolarHBondContact CA-O 3.46Å; N360-V365 VanDerWaalsContact CB-O 3.24Å; N360-V365 WeakPolarHBondContact CB-O 3.39Å; N360-V365 PolarHBondContact ND2-O 2.65Å; N360-V365 PolarHBondContact OD1-O 3.14Å; N360-P367 WeakPolarHBondContact ND2-CD 3.41Å |
| 361 | S | 44.2 | Very low | 40.6 | Very low | 80 Ų | 80 | 58.8 Ų | 58.8 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -86 | -23.8 | -176.4 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | L357 F358 | L357-S361 VanDerWaalsContact O-CB 3.28Å; L357-S361 WeakPolarHBondContact O-CB 3.48Å; L357-S361 PolarHBondContact O-N 2.62Å; L357-S361 PolarHBondContact O-OG 2.71Å; F358-S361 PolarHBondContact O-N 3.01Å; F358-S361 PolarHBondContact O-OG 2.84Å |
| 362 | N | 40.4 | Very low | 39.6 | Very low | 46 Ų | 46 | 62.1 Ų | 62.1 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -115.5 | -19.3 | -176.6 | -54.3 | -100 | 0 | 0 | 0 | 112.9 | L334 F358 | L334-N362 HydrophobicContact CD1-CB 4.31Å; F358-N362 WeakPolarHBondContact CD2-ND2 3.32Å; F358-N362 WeakPolarHBondContact O-CB 3.48Å; F358-N362 PolarHBondContact O-N 3.49Å; F358-N362 PolarHBondContact O-ND2 3.48Å |
| 363 | I | 39.8 | Very low | 38.5 | Very low | 25 Ų | 25 | 65.9 Ų | 65.9 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -124 | 9.8 | -175.3 | -68.8 | 149.2 | 0 | 0 | 0 | 111.4 | L359 V365 F460 V472 | L359-I363 HydrophobicContact CD2-CD1 3.66Å; L359-I363 CarbonylContact O-C 3.44Å; L359-I363 VanDerWaalsContact O-CA 3.25Å; L359-I363 WeakPolarHBondContact O-CA 3.45Å; L359-I363 VanDerWaalsContact O-CB 3.29Å; L359-I363 WeakPolarHBondContact O-CB 3.29Å; L359-I363 PolarHBondContact O-N 2.87Å; I363-V365 VanDerWaalsContact C-N 3.31Å; I363-V365 PolarHBondContact O-N 3.41Å; I363-F460 HydrophobicContact CG2-CE1 3.52Å; I363-F460 HydrophobicContact CG2-CZ 3.73Å; I363-F460 VanDerWaalsContact O-CZ 3.31Å; I363-F460 WeakPolarHBondContact O-CZ 3.25Å; I363-V472 HydrophobicContact CD1-CG2 3.65Å |
| 364 | G | 36 | Very low | 37.4 | Very low | 58 Ų | 58 | 65.9 Ų | 65.9 | 60% | 0.598 | 39% | 0.388 | S | S | * | . | trans | 74.9 | 7.3 | 163 | 0 | 0 | 0 | 0 | 0 | 116.9 | L359 N366 | L359-G364 PolarHBondContact O-N 3.26Å; G364-N366 PolarHBondContact O-N 3.38Å; G364-N366 VanDerWaalsContact O-N 3.09Å | ||
| 365 | V | 33.8 | Very low | 36.1 | Very low | 6 Ų | 6 | 72.8 Ų | 72.8 | 4% | 0.036 | 42% | 0.424 | C | S | . | . | trans | -68.9 | 106.8 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | N360 I363 P367 F460 T500 | N360-V365 WeakPolarHBondContact CA-O 3.46Å; N360-V365 VanDerWaalsContact CB-O 3.24Å; N360-V365 WeakPolarHBondContact CB-O 3.39Å; N360-V365 PolarHBondContact ND2-O 2.65Å; N360-V365 PolarHBondContact OD1-O 3.14Å; I363-V365 VanDerWaalsContact C-N 3.31Å; I363-V365 PolarHBondContact O-N 3.41Å; V365-P367 VanDerWaalsContact O-CD 3.32Å; V365-P367 WeakPolarHBondContact O-CD 3.45Å; V365-F460 HydrophobicContact CG2-CE2 4.12Å; V365-F460 HydrophobicContact CG2-CZ 3.73Å; V365-T500 HydrophobicContact CG1-CG2 4.48Å; V365-T500 HydrophobicContact CG2-CG2 4.35Å | ||
| 366 | N | 32.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 83.1 Ų | 83.1 | 59% | 0.594 | 46% | 0.463 | S | S | * | . | trans | -111.7 | 90.4 | 178.4 | -169.8 | 20 | 0 | 0 | 0 | 111 | G364 F368 | G364-N366 PolarHBondContact O-N 3.38Å; G364-N366 VanDerWaalsContact O-N 3.09Å; N366-F368 PolarHBondContact O-N 3.36Å | ||
| 367 | P | 33.4 | Very low | 33.6 | Very low | 41 Ų | 41 | 86.7 Ų | 86.7 | 27% | 0.266 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 39.8 | -172.1 | 36.6 | -39.5 | 0 | 0 | 0 | 113 | N360 V365 | N360-P367 WeakPolarHBondContact ND2-CD 3.41Å; V365-P367 VanDerWaalsContact O-CD 3.32Å; V365-P367 WeakPolarHBondContact O-CD 3.45Å |
| 368 | F | 29.9 | Very low | 32.4 | Very low | 161 Ų | 161 | 91 Ų | 91 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138 | 19.3 | -173.9 | -72.6 | -69.3 | 0 | 0 | 0 | 112.9 | N366 D370 | N366-F368 PolarHBondContact O-N 3.36Å; F368-D370 VanDerWaalsContact C-N 3.27Å |
| 369 | N | 30.3 | Very low | 31.2 | Very low | 107 Ų | 107 | 94.9 Ų | 94.9 | 57% | 0.572 | 54% | 0.538 | S | S | * | . | trans | -87.9 | 8.8 | 174.8 | -137.4 | 52.2 | 0 | 0 | 0 | 113.4 | N371 | N369-N371 PolarHBondContact O-N 3.32Š| ||
| 370 | D | 28.3 | Very low | 30.1 | Very low | 127 Ų | 127 | 100.3 Ų | 100.3 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | trans | -59.3 | 120.3 | 163.1 | -75.1 | -18.2 | 0 | 0 | 0 | 109.1 | F368 S372 | F368-D370 VanDerWaalsContact C-N 3.27Å; D370-S372 PolarHBondContact O-N 3.43Å | ||
| 371 | N | 27.1 | Very low | 29.2 | Very low | 166 Ų | 166 | 107.2 Ų | 107.2 | 89% | 0.888 | 60% | 0.597 | S | S | * | * | trans | -71.4 | 13.5 | 170 | -73.8 | -66.9 | 0 | 0 | 0 | 113.1 | N369 S373 | N369-N371 PolarHBondContact O-N 3.32Å; N371-S373 PolarHBondContact O-N 3.13Å | ||
| 372 | S | 27.2 | Very low | 28.2 | Very low | 76 Ų | 76 | 112.7 Ų | 112.7 | 53% | 0.531 | 61% | 0.611 | S | S | . | * | trans | -72.9 | 114.1 | 174.2 | 72.2 | 0 | 0 | 0 | 0 | 110 | D370 V374 | D370-S372 PolarHBondContact O-N 3.43Å; S372-V374 PolarHBondContact O-N 3Å | ||
| 373 | S | 22.9 | Very low | 27.6 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 83% | 0.832 | 61% | 0.614 | S | S | * | * | trans | -77.8 | 47 | -168.4 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | N371 N375 | N371-S373 PolarHBondContact O-N 3.13Å; S373-N375 PolarHBondContact O-N 3.28Å | ||
| 374 | V | 23.5 | Very low | 26.9 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 58% | 0.582 | 64% | 0.642 | S | S | * | * | trans | -89.9 | 100.8 | 179.6 | -168.8 | 0 | 0 | 0 | 0 | 110.3 | S372 R376 | S372-V374 PolarHBondContact O-N 3Å; V374-R376 HydrophobicContact CG1-CG 3.89Å; V374-R376 PolarHBondContact O-N 3.05Å | ||
| 375 | N | 20.7 | Very low | 26.6 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 88% | 0.877 | 63% | 0.63 | S | S | * | * | trans | -62.7 | 72.8 | 172.9 | -89.2 | -56.9 | 0 | 0 | 0 | 112.8 | S373 S377 | S373-N375 PolarHBondContact O-N 3.28Å; N375-S377 VanDerWaalsContact C-N 3.29Å; N375-S377 PolarHBondContact O-N 3.28Å | ||
| 376 | R | 23.2 | Very low | 26.2 | Very low | 217 Ų | 217 | 125.6 Ų | 125.6 | 82% | 0.819 | 67% | 0.666 | S | S | * | * | trans | -78.9 | 80.7 | 168.9 | -66.6 | -166.4 | 179.3 | 177.9 | 3.7 | 109.4 | V374 L378 | V374-R376 HydrophobicContact CG1-CG 3.89Å; V374-R376 PolarHBondContact O-N 3.05Å; R376-L378 PolarHBondContact O-N 3.41Å | ||
| 377 | S | 22.5 | Very low | 25.8 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | trans | -52.8 | 122.1 | 169 | 50.2 | 0 | 0 | 0 | 0 | 109.8 | N375 S379 | N375-S377 VanDerWaalsContact C-N 3.29Å; N375-S377 PolarHBondContact O-N 3.28Å; S377-S379 PolarHBondContact O-N 3.34Å | ||
| 378 | L | 23.7 | Very low | 25.4 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | trans | -69.6 | 81.8 | 178.7 | -79.5 | 166.2 | 0 | 0 | 0 | 109.9 | R376 | R376-L378 PolarHBondContact O-N 3.41Š| ||
| 379 | S | 21.9 | Very low | 25.2 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 57% | 0.566 | 69% | 0.688 | S | S | * | * | trans | -56.3 | 140.6 | 169.4 | 73.7 | 0 | 0 | 0 | 0 | 109 | S377 W381 | S377-S379 PolarHBondContact O-N 3.34Å; S379-W381 PolarHBondContact O-N 3.28Å | ||
| 380 | P | 23 | Very low | 25 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 69% | 0.694 | S | S | * | * | trans | -60 | 110.2 | -176.4 | -23.6 | 33.7 | 0 | 0 | 0 | 110.5 | K382 | P380-K382 PolarHBondContact O-N 2.79Š| ||
| 381 | W | 28.6 | Very low | 25.1 | Very low | 189 Ų | 189 | 121.7 Ų | 121.7 | 72% | 0.716 | 68% | 0.675 | S | S | * | * | trans | -61.5 | 101.6 | -172.9 | -74.6 | 77.9 | 0 | 0 | 0 | 109.9 | S379 I383 | S379-W381 PolarHBondContact O-N 3.28Å; W381-I383 WeakPolarHBondContact O-CG1 3.14Å; W381-I383 PolarHBondContact O-N 2.81Å | ||
| 382 | K | 23.5 | Very low | 25.2 | Very low | 196 Ų | 196 | 126 Ų | 126 | 85% | 0.852 | 68% | 0.679 | S | S | * | * | trans | -63.9 | 100.1 | 172.5 | -83.7 | -175.4 | 175.8 | 176.2 | 0 | 108.5 | P380 N384 | P380-K382 PolarHBondContact O-N 2.79Å; K382-N384 PolarHBondContact O-N 2.75Å | ||
| 383 | I | 28.7 | Very low | 25.3 | Very low | 59 Ų | 59 | 126.2 Ų | 126.2 | 30% | 0.303 | 68% | 0.681 | S | S | . | * | trans | -69.3 | 81.1 | 177 | -50.5 | -175 | 0 | 0 | 0 | 108.7 | L322 K350 W381 W385 | L322-I383 HydrophobicContact CD2-CB 4.34Å; L322-I383 HydrophobicContact CD2-CD1 3.95Å; K350-I383 HydrophobicContact CD-CG2 4.25Å; W381-I383 WeakPolarHBondContact O-CG1 3.14Å; W381-I383 PolarHBondContact O-N 2.81Å; I383-W385 HydrophobicContact CG2-CD2 4.03Å; I383-W385 HydrophobicContact CG2-CE3 4.42Å; I383-W385 HydrophobicContact CG2-CH2 4.06Å; I383-W385 HydrophobicContact CG2-CZ2 3.64Å; I383-W385 HydrophobicContact CG2-CZ3 4.43Å; I383-W385 PolarHBondContact O-N 3.05Å; I383-W385 PolarHBondContact O-NE1 2.83Å | ||
| 384 | N | 23.2 | Very low | 25.7 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | trans | -61.8 | 117.2 | 164.6 | -93.7 | -3.8 | 0 | 0 | 0 | 107.8 | K350 K382 | K350-N384 WeakPolarHBondContact CE-O 3.3Å; K350-N384 PolarHBondContact NZ-O 2.91Å; K382-N384 PolarHBondContact O-N 2.75Å | ||
| 385 | W | 30.7 | Very low | 26 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 36% | 0.356 | 67% | 0.668 | S | S | . | * | trans | -89.5 | 132.3 | 171.6 | -58.5 | 97.3 | 0 | 0 | 0 | 108.2 | L321 L322 I383 S387 | L321-W385 HydrophobicContact CD2-CE3 4.15Å; L321-W385 HydrophobicContact CD2-CH2 3.42Å; L321-W385 VanDerWaalsContact CD2-CH2 3.42Å; L321-W385 HydrophobicContact CD2-CZ2 3.96Å; L321-W385 HydrophobicContact CD2-CZ3 3.52Å; L321-W385 HydrophobicContact CG-CH2 3.64Å; L321-W385 HydrophobicContact CG-CZ2 4.09Å; L321-W385 HydrophobicContact CG-CZ3 4.24Å; L322-W385 HydrophobicContact CD2-CZ2 3.8Å; L322-W385 HydrophobicContact CG-CZ2 4.2Å; I383-W385 HydrophobicContact CG2-CD2 4.03Å; I383-W385 HydrophobicContact CG2-CE3 4.42Å; I383-W385 HydrophobicContact CG2-CH2 4.06Å; I383-W385 HydrophobicContact CG2-CZ2 3.64Å; I383-W385 HydrophobicContact CG2-CZ3 4.43Å; I383-W385 PolarHBondContact O-N 3.05Å; I383-W385 PolarHBondContact O-NE1 2.83Å; W385-S387 PolarHBondContact O-N 3.18Å | ||
| 386 | C | 24.8 | Very low | 26.6 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | trans | -63.5 | 112.2 | 176.1 | -61 | 0 | 0 | 0 | 0 | 109.5 | S388 | C386-S388 PolarHBondContact O-N 3.3Š| ||
| 387 | S | 24 | Very low | 26.9 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -83.7 | 12 | -175.7 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | W385 P389 | W385-S387 PolarHBondContact O-N 3.18Å; S387-P389 WeakPolarHBondContact O-CD 3.09Å | ||
| 388 | S | 26.4 | Very low | 27.4 | Very low | 84 Ų | 84 | 122.7 Ų | 122.7 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | trans | -75.2 | 121.4 | 177.8 | -177 | 0 | 0 | 0 | 0 | 111.2 | C386 N390 | C386-S388 PolarHBondContact O-N 3.3Å; S388-N390 PolarHBondContact O-N 3.15Å; S388-N390 PolarHBondContact OG-N 3.42Å | ||
| 389 | P | 24.9 | Very low | 27.7 | Very low | 95 Ų | 95 | 124 Ų | 124 | 62% | 0.617 | 67% | 0.665 | S | S | * | * | trans | -80.6 | -1.2 | 172.1 | -9.9 | 28.8 | 0 | 0 | 0 | 113.3 | S387 S391 | S387-P389 WeakPolarHBondContact O-CD 3.09Å; P389-S391 VanDerWaalsContact C-N 3.31Å; P389-S391 PolarHBondContact O-N 3.39Å | ||
| 390 | N | 25.5 | Very low | 27.9 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | trans | -89.4 | 58.5 | -162.2 | -67.2 | -5.8 | 0 | 0 | 0 | 113 | S388 | S388-N390 PolarHBondContact O-N 3.15Å; S388-N390 PolarHBondContact OG-N 3.42Å | ||
| 391 | S | 31.6 | Very low | 28.2 | Very low | 40 Ų | 40 | 129 Ų | 129 | 28% | 0.28 | 68% | 0.683 | S | S | . | * | trans | -89.9 | 120.6 | 156.9 | 96 | 0 | 0 | 0 | 0 | 108.8 | P389 S393 E394 | P389-S391 VanDerWaalsContact C-N 3.31Å; P389-S391 PolarHBondContact O-N 3.39Å; S391-S393 PolarHBondContact O-N 3.18Å; S391-S393 PolarHBondContact OG-OG 3.02Å; S391-E394 WeakPolarHBondContact CB-OE2 3.37Å; S391-E394 PolarHBondContact O-N 3.49Å; S391-E394 VanDerWaalsContact O-N 3.12Å; S391-E394 WeakPolarHBondContact OG-CG 3.32Å; S391-E394 PolarHBondContact OG-OE2 3.12Å | ||
| 392 | R | 28.3 | Very low | 28.2 | Very low | 255 Ų | 255 | 129 Ų | 129 | 96% | 0.962 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -6.2 | -169.5 | -90.9 | -179.2 | 167.1 | 173.1 | -5 | 114.9 | ||
| 393 | S | 30.1 | Very low | 28.4 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 57% | 0.573 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -12.8 | 174.4 | 46.8 | 0 | 0 | 0 | 0 | 115.1 | S391 | S391-S393 PolarHBondContact O-N 3.18Å; S391-S393 PolarHBondContact OG-OG 3.02Å |
| 394 | E | 29.9 | Very low | 28.4 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 48% | 0.481 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -93.8 | -8 | -167.8 | -72.7 | 172.7 | 130.9 | 0 | 0 | 114.9 | S391 | S391-E394 WeakPolarHBondContact CB-OE2 3.37Å; S391-E394 PolarHBondContact O-N 3.49Å; S391-E394 VanDerWaalsContact O-N 3.12Å; S391-E394 WeakPolarHBondContact OG-CG 3.32Å; S391-E394 PolarHBondContact OG-OE2 3.12Å |
| 395 | F | 30.1 | Very low | 28.5 | Very low | 151 Ų | 151 | 129 Ų | 129 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -81.9 | -19.8 | -179.6 | -98.4 | -88.1 | 0 | 0 | 0 | 115.1 | A397 | F395-A397 PolarHBondContact O-N 3.12Å; F395-A397 VanDerWaalsContact O-N 3.14Å |
| 396 | S | 33 | Very low | 28.4 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -69.3 | -10.7 | -173.7 | -52.8 | 0 | 0 | 0 | 0 | 115 | ||
| 397 | A | 30.9 | Very low | 28.5 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -107 | 7.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F395 | F395-A397 PolarHBondContact O-N 3.12Å; F395-A397 VanDerWaalsContact O-N 3.14Å |
| 398 | Q | 32.8 | Very low | 28.5 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -125.3 | 16.1 | -176.2 | -68.4 | -164.2 | -29.9 | 0 | 0 | 115.2 | ||
| 399 | Q | 29.5 | Very low | 28.4 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -128 | 58.5 | 175.7 | -71.8 | -167.5 | -46.8 | 0 | 0 | 113.3 | ||||
| 400 | M | 27.4 | Very low | 28.3 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 96% | 0.956 | 75% | 0.745 | S | S | * | * | trans | -140.8 | 66.8 | 163.3 | -69.8 | -155.7 | 84.3 | 0 | 0 | 111.7 | ||||
| 401 | S | 27.6 | Very low | 28.2 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -157.7 | 51 | 169.8 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 402 | M | 29.3 | Very low | 27.8 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 94% | 0.941 | 77% | 0.772 | S | S | * | * | trans | -156.7 | 124.2 | 158.8 | -133.3 | 167.6 | 175.1 | 0 | 0 | 111.6 | ||||
| 403 | E | 27.1 | Very low | 27.7 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -80.6 | 162.8 | 166.2 | -53.4 | 165.4 | 134 | 0 | 0 | 107.8 | ||||
| 404 | S | 28.6 | Very low | 27.3 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | cis | -157.6 | 176 | 13.9 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 405 | S | 26 | Very low | 27.1 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 63.6 | 140.8 | 163.4 | 32.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 406 | D | 28.4 | Very low | 26.8 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | cis | -142.1 | -165.7 | 14.8 | -99.6 | -26.5 | 0 | 0 | 0 | 113 | ||||
| 407 | E | 26.1 | Very low | 26.3 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -83.1 | 157.9 | -155.7 | -50.1 | -175.9 | 121.5 | 0 | 0 | 118.4 | ||||
| 408 | S | 24.2 | Very low | 26 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 120.1 | 137.2 | 125.1 | 76.7 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 409 | S | 24.4 | Very low | 25.5 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 65 | 98.6 | 161.1 | 59.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 410 | S | 22.9 | Very low | 25.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | 16.9 | 128.7 | 128.4 | 58.6 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 411 | F | 24.7 | Very low | 25.1 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | -158.7 | 159 | 98.9 | -116 | -79.9 | 0 | 0 | 0 | 111.7 | |||||
| 412 | S | 23.2 | Very low | 25 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -75.1 | 130.1 | -179.4 | 51.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 413 | T | 25.4 | Very low | 24.8 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -133 | 112.4 | 159.2 | 38.2 | 0 | 0 | 0 | 0 | 110.3 | S415 | T413-S415 PolarHBondContact O-N 3.45Š| ||
| 414 | D | 22.9 | Very low | 24.7 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -63.8 | 97.7 | 167.4 | -70.9 | -63.3 | 0 | 0 | 0 | 109.4 | ||||
| 415 | S | 24.6 | Very low | 24.7 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | -94.9 | 106.7 | 171.3 | 47.6 | 0 | 0 | 0 | 0 | 109.3 | T413 V417 | T413-S415 PolarHBondContact O-N 3.45Å; S415-V417 PolarHBondContact O-N 2.6Å | ||
| 416 | Q | 23.7 | Very low | 24.7 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -67.9 | 77.1 | 170.6 | -67.2 | 177.1 | -18.2 | 0 | 0 | 109.8 | T418 | Q416-T418 PolarHBondContact O-N 3.12Š| ||
| 417 | V | 23.6 | Very low | 24.6 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 78% | 0.782 | 73% | 0.731 | S | S | * | * | trans | -69.8 | 101.6 | 168.2 | -178.7 | 0 | 0 | 0 | 0 | 107 | S415 A419 | S415-V417 PolarHBondContact O-N 2.6Å; V417-A419 PolarHBondContact O-N 3.33Å | ||
| 418 | T | 22.9 | Very low | 24.7 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | trans | -52.6 | 116.3 | -175.2 | 22 | 0 | 0 | 0 | 0 | 111.9 | Q416 V420 | Q416-T418 PolarHBondContact O-N 3.12Å; T418-V420 VanDerWaalsContact C-N 3.27Å; T418-V420 PolarHBondContact O-N 2.95Å | ||
| 419 | A | 23.4 | Very low | 24.8 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | trans | -63.9 | 93.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | V417 | V417-A419 PolarHBondContact O-N 3.33Š| ||
| 420 | V | 23.7 | Very low | 24.9 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | trans | -63.5 | 137.6 | 178.9 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | T418 E422 | T418-V420 VanDerWaalsContact C-N 3.27Å; T418-V420 PolarHBondContact O-N 2.95Å; V420-E422 VanDerWaalsContact C-N 3.34Å; V420-E422 PolarHBondContact O-N 3.5Å | ||
| 421 | R | 24 | Very low | 25.2 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 68% | 0.683 | 70% | 0.696 | S | S | * | * | trans | -72.6 | 76.1 | -163.9 | -62.3 | 159.6 | 76.2 | 157.5 | 6.6 | 112.5 | V423 E424 | R421-V423 VanDerWaalsContact C-N 3.28Å; R421-E424 IonicContact CZ-OE2 2.67Å; R421-E424 IonicContact NE-OE2 3.52Å; R421-E424 PolarHBondContact NE-OE2 3.46Å; R421-E424 VanDerWaalsContact NH2-CD 3.29Å; R421-E424 IonicContact NH2-OE1 2.76Å; R421-E424 PolarHBondContact NH2-OE1 2.95Å; R421-E424 IonicContact NH2-OE2 3.83Å; R421-E424 PolarHBondContact NH2-OE2 3.08Å | ||
| 422 | E | 25.8 | Very low | 25.5 | Very low | 168 Ų | 168 | 119.7 Ų | 119.7 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -83.3 | -0.2 | 171.6 | -65.7 | -169.6 | 138.9 | 0 | 0 | 113.4 | V420 | V420-E422 VanDerWaalsContact C-N 3.34Å; V420-E422 PolarHBondContact O-N 3.5Å | ||
| 423 | V | 25.6 | Very low | 25.7 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 81% | 0.806 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -100.7 | -5.3 | -170.6 | -174.9 | 0 | 0 | 0 | 0 | 113.8 | R421 | R421-V423 VanDerWaalsContact C-N 3.28Š|
| 424 | E | 25.6 | Very low | 26 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 46% | 0.458 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -107.4 | -4 | -177 | -74.8 | 172.8 | 132.3 | 0 | 0 | 114.7 | R421 S427 V428 | R421-E424 IonicContact CZ-OE2 2.67Å; R421-E424 IonicContact NE-OE2 3.52Å; R421-E424 PolarHBondContact NE-OE2 3.46Å; R421-E424 VanDerWaalsContact NH2-CD 3.29Å; R421-E424 IonicContact NH2-OE1 2.76Å; R421-E424 PolarHBondContact NH2-OE1 2.95Å; R421-E424 IonicContact NH2-OE2 3.83Å; R421-E424 PolarHBondContact NH2-OE2 3.08Å; E424-S427 PolarHBondContact O-OG 3.4Å; E424-V428 WeakPolarHBondContact O-CG2 3.43Å |
| 425 | T | 27.4 | Very low | 26.3 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 57% | 0.571 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.9 | -35.2 | -177.8 | 42.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 426 | E | 26.3 | Very low | 26.4 | Very low | 162 Ų | 162 | 119.5 Ų | 119.5 | 76% | 0.757 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.1 | -35.8 | -179 | -64.8 | -166.6 | 136.9 | 0 | 0 | 113.2 | V428 L429 | E426-V428 VanDerWaalsContact C-N 3.31Å; E426-V428 PolarHBondContact O-N 3.39Å; E426-L429 PolarHBondContact O-N 3.38Å |
| 427 | S | 27.2 | Very low | 26.6 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.8 | -21.5 | -175.5 | 61.6 | 0 | 0 | 0 | 0 | 114 | E424 | E424-S427 PolarHBondContact O-OG 3.4Å |
| 428 | V | 26.7 | Very low | 26.8 | Very low | 96 Ų | 96 | 116 Ų | 116 | 58% | 0.582 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -78 | -39.6 | 175.6 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | E424 E426 A430 R431 S432 | E424-V428 WeakPolarHBondContact O-CG2 3.43Å; E426-V428 VanDerWaalsContact C-N 3.31Å; E426-V428 PolarHBondContact O-N 3.39Å; V428-A430 PolarHBondContact O-N 3.19Å; V428-R431 PolarHBondContact O-N 3.48Å; V428-S432 PolarHBondContact O-N 3.35Å |
| 429 | L | 26.6 | Very low | 27.1 | Very low | 62 Ų | 62 | 113.8 Ų | 113.8 | 33% | 0.325 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.9 | -51.2 | -178.1 | -68.9 | 168.7 | 0 | 0 | 0 | 111.5 | E426 R431 S432 E433 | E426-L429 PolarHBondContact O-N 3.38Å; L429-R431 PolarHBondContact O-N 2.71Å; L429-S432 PolarHBondContact O-N 2.89Å; L429-S432 VanDerWaalsContact O-N 3.1Å; L429-S432 PolarHBondContact O-OG 3.18Å; L429-E433 PolarHBondContact O-N 3.07Å |
| 430 | A | 27.7 | Very low | 27.4 | Very low | 69 Ų | 69 | 112.7 Ų | 112.7 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V428 | V428-A430 PolarHBondContact O-N 3.19Å |
| 431 | R | 27.6 | Very low | 27.6 | Very low | 206 Ų | 206 | 116.1 Ų | 116.1 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -91 | -46.6 | 169.1 | -82.6 | -176.6 | 165.6 | 171.6 | -4.1 | 112 | V428 L429 E433 | V428-R431 PolarHBondContact O-N 3.48Å; L429-R431 PolarHBondContact O-N 2.71Å; R431-E433 VanDerWaalsContact C-N 3.35Å; R431-E433 PolarHBondContact O-N 3.12Å |
| 432 | S | 31.5 | Very low | 27.7 | Very low | 34 Ų | 34 | 112.2 Ų | 112.2 | 24% | 0.238 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -60.9 | -37.4 | -176.3 | 61 | 0 | 0 | 0 | 0 | 114.3 | V428 L429 K434 E435 L436 | V428-S432 PolarHBondContact O-N 3.35Å; L429-S432 PolarHBondContact O-N 2.89Å; L429-S432 VanDerWaalsContact O-N 3.1Å; L429-S432 PolarHBondContact O-OG 3.18Å; S432-K434 VanDerWaalsContact C-N 3.26Å; S432-K434 PolarHBondContact O-N 3.11Å; S432-E435 PolarHBondContact O-N 3Å; S432-L436 WeakPolarHBondContact O-CD1 3.37Å; S432-L436 WeakPolarHBondContact O-CG 3.46Å; S432-L436 PolarHBondContact O-N 3.29Å |
| 433 | E | 28.5 | Very low | 28.1 | Very low | 102 Ų | 102 | 112.5 Ų | 112.5 | 48% | 0.477 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.4 | -29.7 | -174.7 | -71.6 | 173 | 179.7 | 0 | 0 | 114.3 | L429 R431 V437 | L429-E433 PolarHBondContact O-N 3.07Å; R431-E433 VanDerWaalsContact C-N 3.35Å; R431-E433 PolarHBondContact O-N 3.12Å; E433-V437 WeakPolarHBondContact O-CG2 3.47Å |
| 434 | K | 30.6 | Very low | 28.7 | Very low | 182 Ų | 182 | 111.9 Ų | 111.9 | 79% | 0.791 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -86 | -21.6 | -176.5 | -81.5 | -173.6 | 173.9 | 178.9 | 0 | 114.9 | S432 | S432-K434 VanDerWaalsContact C-N 3.26Å; S432-K434 PolarHBondContact O-N 3.11Å |
| 435 | E | 29.7 | Very low | 29.5 | Very low | 149 Ų | 149 | 111.3 Ų | 111.3 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -88.9 | -39.9 | 178.9 | -68 | 176.5 | 153.9 | 0 | 0 | 110.4 | S432 V437 H438 | S432-E435 PolarHBondContact O-N 3Å; E435-V437 PolarHBondContact O-N 3.1Å; E435-H438 PolarHBondContact O-N 3.21Å |
| 436 | L | 26.9 | Very low | 30.5 | Very low | 52 Ų | 52 | 112.2 Ų | 112.2 | 27% | 0.272 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.3 | -44.2 | -178.6 | -73.6 | 161.8 | 0 | 0 | 0 | 114.2 | S432 H438 V439 F469 Y512 | S432-L436 WeakPolarHBondContact O-CD1 3.37Å; S432-L436 WeakPolarHBondContact O-CG 3.46Å; S432-L436 PolarHBondContact O-N 3.29Å; L436-H438 PolarHBondContact O-N 3.26Å; L436-V439 PolarHBondContact O-N 3.05Å; L436-V439 VanDerWaalsContact O-N 3.13Å; L436-F469 HydrophobicContact CD1-CE1 4.35Å; L436-Y512 HydrophobicContact CD1-CE2 3.78Å; L436-Y512 HydrophobicContact CD2-CD2 4.15Å; L436-Y512 HydrophobicContact CD2-CE2 4.22Å |
| 437 | V | 27.6 | Very low | 31.3 | Very low | 83 Ų | 83 | 110.4 Ų | 110.4 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -19.3 | -177.6 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | E433 E435 | E433-V437 WeakPolarHBondContact O-CG2 3.47Å; E435-V437 PolarHBondContact O-N 3.1Å |
| 438 | H | 27.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 107.2 Ų | 107.2 | 75% | 0.745 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -11.7 | -178.6 | -132.4 | -55.1 | 0 | 0 | 0 | 114.7 | E435 L436 | E435-H438 PolarHBondContact O-N 3.21Å; L436-H438 PolarHBondContact O-N 3.26Å |
| 439 | V | 28.8 | Very low | 33.6 | Very low | 66 Ų | 66 | 103.5 Ų | 103.5 | 40% | 0.4 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -28.3 | -173.8 | 179.5 | 0 | 0 | 0 | 0 | 113 | L436 K441 | L436-V439 PolarHBondContact O-N 3.05Å; L436-V439 VanDerWaalsContact O-N 3.13Å; V439-K441 PolarHBondContact O-N 2.92Å |
| 440 | V | 30.4 | Very low | 34.8 | Very low | 76 Ų | 76 | 100.8 Ų | 100.8 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 38.1 | -173.3 | -158.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 441 | K | 27.2 | Very low | 35.8 | Very low | 187 Ų | 187 | 98.8 Ų | 98.8 | 81% | 0.813 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | 5.3 | -179.4 | -79 | -165.2 | 172.8 | -174.2 | 0 | 115 | V439 | V439-K441 PolarHBondContact O-N 2.92Š|
| 442 | C | 27 | Very low | 36.8 | Very low | 98 Ų | 98 | 95.2 Ų | 95.2 | 66% | 0.662 | 49% | 0.487 | S | S | * | . | trans | -98.4 | 105.2 | -174.9 | -76.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 443 | H | 33.6 | Very low | 37.6 | Very low | 175 Ų | 175 | 98.2 Ų | 98.2 | 81% | 0.81 | 49% | 0.493 | S | S | * | . | trans | 72 | 152 | 157.9 | -68 | -78.9 | 0 | 0 | 0 | 119.5 | ||||
| 444 | D | 38.1 | Very low | 38.5 | Very low | 120 Ų | 120 | 95 Ų | 95 | 64% | 0.642 | 48% | 0.479 | S | S | * | . | trans | -66.4 | 134.8 | -173.7 | -67.4 | -82.6 | 0 | 0 | 0 | 112.5 | N446 D447 | D444-N446 PolarHBondContact O-N 2.92Å; D444-D447 PolarHBondContact O-N 2.88Å | ||
| 445 | M | 43.2 | Very low | 38.7 | Very low | 86 Ų | 86 | 91.2 Ų | 91.2 | 42% | 0.424 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -13.7 | 178.4 | -73.2 | -75.9 | -79.7 | 0 | 0 | 114.3 | D447 H509 | M445-D447 VanDerWaalsContact C-N 3.33Å; M445-D447 PolarHBondContact O-N 3.33Å; M445-H509 PolarHBondContact SD-CE1 2.92Å |
| 446 | N | 47.3 | Very low | 39.1 | Very low | 111 Ų | 111 | 89.8 Ų | 89.8 | 59% | 0.594 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20.3 | -173 | -63.3 | -23.7 | 0 | 0 | 0 | 113.6 | D444 Q452 | D444-N446 PolarHBondContact O-N 2.92Å; N446-Q452 PolarHBondContact O-NE2 3.39Å |
| 447 | D | 42.9 | Very low | 39.6 | Very low | 124 Ų | 124 | 90.2 Ų | 90.2 | 66% | 0.663 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -111.1 | -5.5 | -163.9 | -68.1 | -11.5 | 0 | 0 | 0 | 116.2 | D444 M445 | D444-D447 PolarHBondContact O-N 2.88Å; M445-D447 VanDerWaalsContact C-N 3.33Å; M445-D447 PolarHBondContact O-N 3.33Å |
| 448 | C | 50.5 | Low | 39.9 | Very low | 12 Ų | 12 | 91.3 Ų | 91.3 | 8% | 0.081 | 48% | 0.475 | C | S | . | . | trans | -93.6 | 116.9 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | L450 C451 Q452 C555 | C448-L450 PolarHBondContact O-N 2.78Å; C448-C451 HydrophobicContact CB-CB 4.37Å; C448-C451 WeakPolarHBondContact O-CB 3.43Å; C448-C451 PolarHBondContact O-N 3.11Å; C448-Q452 PolarHBondContact O-N 3.47Å; C448-Q452 VanDerWaalsContact O-N 3.13Å; C448-C555 WeakPolarHBondContact CB-SG 3.45Å; C448-C555 WeakPolarHBondContact SG-CB 3.28Å; C448-C555 CovalentContact SG-SG 2.06Å; C448-C555 PolarHBondContact SG-SG 3.48Å | ||
| 449 | C | 52.3 | Low | 40.1 | Very low | 18 Ų | 18 | 86.7 Ų | 86.7 | 12% | 0.122 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -19.7 | 175.8 | 54.1 | 0 | 0 | 0 | 0 | 116 | R453 N547 M549 Q551 | C449-R453 WeakPolarHBondContact O-CB 3.43Å; C449-N547 PolarHBondContact SG-ND2 3.22Å; C449-M549 PolarHBondContact SG-O 2.68Å; C449-Q551 VanDerWaalsContact CB-OE1 3.3Å |
| 450 | L | 52 | Low | 40.3 | Very low | 6 Ų | 6 | 85.8 Ų | 85.8 | 3% | 0.031 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -38.9 | 170.1 | -85.3 | 169.3 | 0 | 0 | 0 | 112.4 | C448 R453 N547 C555 L558 | C448-L450 PolarHBondContact O-N 2.78Å; L450-R453 PolarHBondContact O-N 3.41Å; L450-N547 HydrophobicContact CD1-CB 4.03Å; L450-N547 HydrophobicContact CD2-CB 3.79Å; L450-N547 HydrophobicContact CG-CB 3.7Å; L450-C555 HydrophobicContact CD1-CB 4.21Å; L450-L558 HydrophobicContact CD1-CB 4.15Å; L450-L558 HydrophobicContact CD1-CD1 4.21Å |
| 451 | C | 49.2 | Very low | 40.5 | Very low | 27 Ų | 27 | 86.6 Ų | 86.6 | 18% | 0.182 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -37.2 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | C448 R453 | C448-C451 HydrophobicContact CB-CB 4.37Å; C448-C451 WeakPolarHBondContact O-CB 3.43Å; C448-C451 PolarHBondContact O-N 3.11Å; C451-R453 PolarHBondContact O-N 3.25Å |
| 452 | Q | 48.8 | Very low | 40.8 | Very low | 131 Ų | 131 | 81.4 Ų | 81.4 | 61% | 0.612 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.6 | 171.8 | -67.3 | -174.8 | -8 | 0 | 0 | 113.5 | N446 C448 L454 | N446-Q452 PolarHBondContact O-NE2 3.39Å; C448-Q452 PolarHBondContact O-N 3.47Å; C448-Q452 VanDerWaalsContact O-N 3.13Å; Q452-L454 PolarHBondContact O-N 3Å; Q452-L454 VanDerWaalsContact O-N 3.17Å |
| 453 | R | 47.9 | Very low | 41 | Very low | 97 Ų | 97 | 81.6 Ų | 81.6 | 37% | 0.366 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 8.7 | -175.3 | -110.5 | -176.7 | 179.3 | 143.9 | 13 | 114.8 | C449 L450 C451 N547 F817 | C449-R453 WeakPolarHBondContact O-CB 3.43Å; L450-R453 PolarHBondContact O-N 3.41Å; C451-R453 PolarHBondContact O-N 3.25Å; R453-N547 PolarHBondContact NH1-ND2 3.41Å; R453-F817 PolarHBondContact NH1-O 3.43Å; R453-F817 VanDerWaalsContact NH1-O 3.1Å; R453-F817 PolarHBondContact NH2-O 3.14Å |
| 454 | L | 47.3 | Very low | 41.3 | Very low | 34 Ų | 34 | 76.5 Ų | 76.5 | 18% | 0.178 | 43% | 0.434 | C | S | . | . | trans | -124.1 | 75.6 | -177.6 | -66.6 | 168.7 | 0 | 0 | 0 | 110.7 | Q452 D456 Y457 V506 Y544 | Q452-L454 PolarHBondContact O-N 3Å; Q452-L454 VanDerWaalsContact O-N 3.17Å; L454-D456 PolarHBondContact O-N 3.21Å; L454-D456 VanDerWaalsContact O-N 3.15Å; L454-Y457 HydrophobicContact CB-CD2 4.45Å; L454-Y457 HydrophobicContact CD2-CD2 4.4Å; L454-Y457 PolarHBondContact O-N 2.86Å; L454-V506 HydrophobicContact CD1-CG1 4.13Å; L454-Y544 HydrophobicContact CD2-CD1 3.88Å; L454-Y544 HydrophobicContact CD2-CE1 3.41Å; L454-Y544 VanDerWaalsContact CD2-CE1 3.41Å | ||
| 455 | P | 34.5 | Very low | 41.4 | Very low | 102 Ų | 102 | 73.5 Ų | 73.5 | 66% | 0.662 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -33.9 | -172 | -25.3 | 35.5 | 0 | 0 | 0 | 114.3 | ||
| 456 | D | 37.3 | Very low | 41.2 | Very low | 119 Ų | 119 | 74.4 Ų | 74.4 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.4 | -169.6 | -58.4 | -80 | 0 | 0 | 0 | 115 | L454 T458 | L454-D456 PolarHBondContact O-N 3.21Å; L454-D456 VanDerWaalsContact O-N 3.15Å; D456-T458 PolarHBondContact O-N 3.46Å |
| 457 | Y | 37.2 | Very low | 40.7 | Very low | 62 Ų | 62 | 74.5 Ų | 74.5 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | trans | -94.1 | 20.8 | -174.4 | -81.3 | -86.3 | 0 | 0 | 0 | 114.9 | L454 G459 F460 A503 | L454-Y457 HydrophobicContact CB-CD2 4.45Å; L454-Y457 HydrophobicContact CD2-CD2 4.4Å; L454-Y457 PolarHBondContact O-N 2.86Å; Y457-G459 PolarHBondContact O-N 3.29Å; Y457-F460 AromaticContact CD1-CD2 3.99Å; Y457-F460 HydrophobicContact CD1-CD2 3.99Å; Y457-F460 AromaticContact CD1-CE2 3.9Å; Y457-F460 HydrophobicContact CD1-CE2 3.9Å; Y457-F460 HydrophobicContact CE1-CE2 4.31Å; Y457-F460 PolarHBondContact O-N 2.85Å; Y457-A503 HydrophobicContact CD1-CB 4.29Å; Y457-A503 HydrophobicContact CE1-CB 3.94Å | ||
| 458 | T | 33.9 | Very low | 40.8 | Very low | 105 Ų | 105 | 70.6 Ų | 70.6 | 64% | 0.644 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -55.1 | -25 | -179.1 | 53.1 | 0 | 0 | 0 | 0 | 114.7 | D456 F460 S461 | D456-T458 PolarHBondContact O-N 3.46Å; T458-F460 PolarHBondContact O-N 3.43Å; T458-S461 WeakPolarHBondContact O-CB 3.38Å; T458-S461 PolarHBondContact O-N 3.12Å; T458-S461 PolarHBondContact O-OG 2.85Å |
| 459 | G | 33.5 | Very low | 40.6 | Very low | 64 Ų | 64 | 71.7 Ų | 71.7 | 66% | 0.66 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -62.6 | -18.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y457 | Y457-G459 PolarHBondContact O-N 3.29Š|
| 460 | F | 32.7 | Very low | 40.3 | Very low | 47 Ų | 47 | 74.5 Ų | 74.5 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -84.4 | -6.8 | 177.9 | -82.7 | -96.1 | 0 | 0 | 0 | 114.3 | I363 V365 Y457 T458 S462 T507 | I363-F460 HydrophobicContact CG2-CE1 3.52Å; I363-F460 HydrophobicContact CG2-CZ 3.73Å; I363-F460 VanDerWaalsContact O-CZ 3.31Å; I363-F460 WeakPolarHBondContact O-CZ 3.25Å; V365-F460 HydrophobicContact CG2-CE2 4.12Å; V365-F460 HydrophobicContact CG2-CZ 3.73Å; Y457-F460 AromaticContact CD1-CD2 3.99Å; Y457-F460 HydrophobicContact CD1-CD2 3.99Å; Y457-F460 AromaticContact CD1-CE2 3.9Å; Y457-F460 HydrophobicContact CD1-CE2 3.9Å; Y457-F460 HydrophobicContact CE1-CE2 4.31Å; Y457-F460 PolarHBondContact O-N 2.85Å; T458-F460 PolarHBondContact O-N 3.43Å; F460-S462 PolarHBondContact O-N 3.2Å; F460-S462 VanDerWaalsContact O-N 3.08Å; F460-T507 HydrophobicContact CB-CG2 3.73Å; F460-T507 HydrophobicContact CD1-CG2 3.78Å; F460-T507 HydrophobicContact CD2-CG2 4.47Å; F460-T507 HydrophobicContact CE1-CG2 4.5Å; F460-T507 HydrophobicContact CG-CG2 3.75Å |
| 461 | S | 33.9 | Very low | 40.1 | Very low | 93 Ų | 93 | 74.3 Ų | 74.3 | 65% | 0.65 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -69.1 | -4 | -176 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | T458 | T458-S461 WeakPolarHBondContact O-CB 3.38Å; T458-S461 PolarHBondContact O-N 3.12Å; T458-S461 PolarHBondContact O-OG 2.85Å |
| 462 | S | 33.3 | Very low | 40.4 | Very low | 79 Ų | 79 | 73.2 Ų | 73.2 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -138.6 | 146.3 | 175.6 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | F460 | F460-S462 PolarHBondContact O-N 3.2Å; F460-S462 VanDerWaalsContact O-N 3.08Å |
| 463 | V | 32.6 | Very low | 40.8 | Very low | 101 Ų | 101 | 67.9 Ų | 67.9 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | trans | 71.7 | 83.8 | 169.1 | -159.7 | 0 | 0 | 0 | 0 | 115.4 | E468 | V463-E468 WeakPolarHBondContact CG1-OE1 3.22Å; V463-E468 WeakPolarHBondContact CG1-OE2 3.41Å | ||
| 464 | L | 39 | Very low | 41.1 | Very low | 69 Ų | 69 | 65.2 Ų | 65.2 | 36% | 0.361 | 39% | 0.386 | S | S | . | . | trans | -119.8 | 94.8 | 135.5 | -79.8 | 176.3 | 0 | 0 | 0 | 108 | E468 F469 | L464-E468 HydrophobicContact CD2-CB 3.98Å; L464-F469 HydrophobicContact CB-CD2 4.45Å; L464-F469 HydrophobicContact CD1-CD2 4.06Å; L464-F469 HydrophobicContact CD1-CE2 4.08Å | ||
| 465 | S | 40.6 | Very low | 41.7 | Very low | 56 Ų | 56 | 63.7 Ų | 63.7 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | trans | -74.6 | 162.2 | 164.5 | 76 | 0 | 0 | 0 | 0 | 110.1 | D467 E468 F469 | S465-D467 PolarHBondContact O-N 2.93Å; S465-E468 WeakPolarHBondContact CA-OE2 3.44Å; S465-E468 VanDerWaalsContact CB-OE2 3.22Å; S465-E468 WeakPolarHBondContact CB-OE2 3.41Å; S465-E468 PolarHBondContact N-OE2 3Å; S465-E468 PolarHBondContact O-N 3.23Å; S465-E468 VanDerWaalsContact O-N 3.16Å; S465-E468 PolarHBondContact OG-OE2 3.41Å; S465-F469 PolarHBondContact O-N 2.94Å | ||
| 466 | N | 38.5 | Very low | 43.1 | Very low | 106 Ų | 106 | 59 Ų | 59 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.9 | -26.9 | -177.8 | -76.9 | 1.4 | 0 | 0 | 0 | 113.7 | N470 | N466-N470 PolarHBondContact O-ND2 2.99Å |
| 467 | D | 36.5 | Very low | 44.4 | Very low | 113 Ų | 113 | 56.4 Ų | 56.4 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -75 | -37.1 | -178.7 | -71.3 | -20.6 | 0 | 0 | 0 | 112 | S465 N470 | S465-D467 PolarHBondContact O-N 2.93Å; D467-N470 PolarHBondContact O-N 3.44Å |
| 468 | E | 45.2 | Very low | 45.3 | Very low | 42 Ų | 42 | 54.4 Ų | 54.4 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.5 | -33.6 | 179.3 | -69.5 | 137.9 | 153.5 | 0 | 0 | 112.2 | V463 L464 S465 N470 S471 V472 | V463-E468 WeakPolarHBondContact CG1-OE1 3.22Å; V463-E468 WeakPolarHBondContact CG1-OE2 3.41Å; L464-E468 HydrophobicContact CD2-CB 3.98Å; S465-E468 WeakPolarHBondContact CA-OE2 3.44Å; S465-E468 VanDerWaalsContact CB-OE2 3.22Å; S465-E468 WeakPolarHBondContact CB-OE2 3.41Å; S465-E468 PolarHBondContact N-OE2 3Å; S465-E468 PolarHBondContact O-N 3.23Å; S465-E468 VanDerWaalsContact O-N 3.16Å; S465-E468 PolarHBondContact OG-OE2 3.41Å; E468-N470 PolarHBondContact O-N 2.99Å; E468-S471 WeakPolarHBondContact O-CB 3.4Å; E468-S471 PolarHBondContact O-N 3.35Å; E468-S471 VanDerWaalsContact O-N 3.1Å; E468-V472 PolarHBondContact O-N 3.06Å |
| 469 | F | 47.4 | Very low | 46.8 | Very low | 34 Ų | 34 | 49.6 Ų | 49.6 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -34.1 | 177.6 | -141.2 | -78.6 | 0 | 0 | 0 | 112.2 | L436 L464 S465 V472 S473 M508 Y512 | L436-F469 HydrophobicContact CD1-CE1 4.35Å; L464-F469 HydrophobicContact CB-CD2 4.45Å; L464-F469 HydrophobicContact CD1-CD2 4.06Å; L464-F469 HydrophobicContact CD1-CE2 4.08Å; S465-F469 PolarHBondContact O-N 2.94Å; F469-V472 PolarHBondContact O-N 3.15Å; F469-S473 PolarHBondContact O-N 3.2Å; F469-M508 HydrophobicContact CE1-SD 4.43Å; F469-M508 HydrophobicContact CE2-SD 4.27Å; F469-M508 HydrophobicContact CZ-SD 3.91Å; F469-Y512 HydrophobicContact CE1-CE2 4.39Å |
| 470 | N | 45 | Very low | 48.5 | Very low | 77 Ų | 77 | 48.1 Ų | 48.1 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 173.6 | -71.2 | -38 | 0 | 0 | 0 | 111.7 | N466 D467 E468 V472 S473 L474 | N466-N470 PolarHBondContact O-ND2 2.99Å; D467-N470 PolarHBondContact O-N 3.44Å; E468-N470 PolarHBondContact O-N 2.99Å; N470-V472 VanDerWaalsContact C-N 3.34Å; N470-V472 PolarHBondContact O-N 3.23Å; N470-S473 PolarHBondContact O-N 2.91Å; N470-L474 WeakPolarHBondContact O-CB 3.28Å; N470-L474 PolarHBondContact O-N 2.92Å |
| 471 | S | 48.6 | Very low | 49.9 | Very low | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 175.4 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | E338 E468 L474 C475 | E338-S471 WeakPolarHBondContact OE1-CB 3.34Å; E338-S471 PolarHBondContact OE1-OG 3.31Å; E468-S471 WeakPolarHBondContact O-CB 3.4Å; E468-S471 PolarHBondContact O-N 3.35Å; E468-S471 VanDerWaalsContact O-N 3.1Å; S471-L474 PolarHBondContact O-N 3.36Å; S471-C475 WeakPolarHBondContact O-CB 3.28Å; S471-C475 PolarHBondContact O-N 3.32Å; S471-C475 PolarHBondContact O-SG 3.29Å |
| 472 | V | 54.6 | Low | 51.1 | Low | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 172.6 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | I363 E468 F469 N470 L474 C475 L476 L504 M508 | I363-V472 HydrophobicContact CD1-CG2 3.65Å; E468-V472 PolarHBondContact O-N 3.06Å; F469-V472 PolarHBondContact O-N 3.15Å; N470-V472 VanDerWaalsContact C-N 3.34Å; N470-V472 PolarHBondContact O-N 3.23Å; V472-L474 VanDerWaalsContact C-N 3.3Å; V472-L474 PolarHBondContact O-N 3.28Å; V472-C475 PolarHBondContact O-N 3.47Å; V472-C475 VanDerWaalsContact O-N 3.16Å; V472-L476 HydrophobicContact CG1-CD1 3.92Å; V472-L476 HydrophobicContact CG1-CG 4.32Å; V472-L476 WeakPolarHBondContact O-CG 3.34Å; V472-L476 PolarHBondContact O-N 2.96Å; V472-L504 HydrophobicContact CG1-CD2 4.48Å; V472-M508 HydrophobicContact CG1-CE 4.35Å; V472-M508 HydrophobicContact CG1-SD 3.93Å |
| 473 | S | 57.9 | Low | 52.6 | Low | 18 Ų | 18 | 40.3 Ų | 40.3 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -39.3 | 175.9 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | F469 N470 T477 Y512 K514 | F469-S473 PolarHBondContact O-N 3.2Å; N470-S473 PolarHBondContact O-N 2.91Å; S473-T477 WeakPolarHBondContact O-CB 3.32Å; S473-T477 PolarHBondContact O-N 3.14Å; S473-T477 PolarHBondContact O-OG1 2.78Å; S473-Y512 PolarHBondContact OG-OH 2.99Å; S473-K514 PolarHBondContact OG-NZ 3.4Å |
| 474 | L | 53.7 | Low | 54.3 | Low | 42 Ų | 42 | 40 Ų | 40 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -52.3 | 172 | -177.5 | 66.4 | 0 | 0 | 0 | 110.7 | R342 N470 S471 V472 L476 T477 L478 | R342-L474 HydrophobicContact CG-CD2 4.29Å; N470-L474 WeakPolarHBondContact O-CB 3.28Å; N470-L474 PolarHBondContact O-N 2.92Å; S471-L474 PolarHBondContact O-N 3.36Å; V472-L474 VanDerWaalsContact C-N 3.3Å; V472-L474 PolarHBondContact O-N 3.28Å; L474-L476 VanDerWaalsContact C-N 3.35Å; L474-L476 PolarHBondContact O-N 3.46Å; L474-T477 PolarHBondContact O-N 2.91Å; L474-T477 VanDerWaalsContact O-N 3.15Å; L474-L478 HydrophobicContact CG-CD1 4.36Å; L474-L478 WeakPolarHBondContact O-CG 3.3Å; L474-L478 PolarHBondContact O-N 2.9Å |
| 475 | C | 59.4 | Low | 55.4 | Low | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.2 | -47 | 178.9 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | L355 S471 V472 T477 L478 L479 | L355-C475 HydrophobicContact CD2-CB 3.79Å; L355-C475 VanDerWaalsContact CD2-SG 3.56Å; S471-C475 WeakPolarHBondContact O-CB 3.28Å; S471-C475 PolarHBondContact O-N 3.32Å; S471-C475 PolarHBondContact O-SG 3.29Å; V472-C475 PolarHBondContact O-N 3.47Å; V472-C475 VanDerWaalsContact O-N 3.16Å; C475-T477 PolarHBondContact O-N 3.17Å; C475-L478 WeakPolarHBondContact O-CB 3.47Å; C475-L478 PolarHBondContact O-N 2.89Å; C475-L479 WeakPolarHBondContact O-CD1 3.48Å; C475-L479 VanDerWaalsContact O-CG 3.24Å; C475-L479 WeakPolarHBondContact O-CG 3.38Å; C475-L479 PolarHBondContact O-N 3.17Å |
| 476 | L | 65.3 | Low | 56.2 | Low | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.5 | -68.1 | 173.1 | 0 | 0 | 0 | 112.2 | V472 L474 L478 L479 S480 M508 Y512 L515 I518 | V472-L476 HydrophobicContact CG1-CD1 3.92Å; V472-L476 HydrophobicContact CG1-CG 4.32Å; V472-L476 WeakPolarHBondContact O-CG 3.34Å; V472-L476 PolarHBondContact O-N 2.96Å; L474-L476 VanDerWaalsContact C-N 3.35Å; L474-L476 PolarHBondContact O-N 3.46Å; L476-L478 VanDerWaalsContact C-N 3.26Å; L476-L478 PolarHBondContact O-N 2.92Å; L476-L479 HydrophobicContact CD2-CD1 4.18Å; L476-L479 PolarHBondContact O-N 3.15Å; L476-S480 PolarHBondContact O-N 3.42Å; L476-M508 HydrophobicContact CD1-CE 4.2Å; L476-Y512 HydrophobicContact CD1-CD1 3.53Å; L476-Y512 HydrophobicContact CD1-CE1 3.49Å; L476-Y512 VanDerWaalsContact CD1-CE1 3.49Å; L476-L515 HydrophobicContact CD1-CB 4.41Å; L476-L515 HydrophobicContact CD2-CB 4.27Å; L476-L515 HydrophobicContact CD2-CD1 3.84Å; L476-I518 HydrophobicContact CB-CD1 4.16Å; L476-I518 HydrophobicContact CD2-CD1 4.2Å; L476-I518 WeakPolarHBondContact O-CD1 3.41Å |
| 477 | T | 63.7 | Low | 57 | Low | 66 Ų | 66 | 41.7 Ų | 41.7 | 41% | 0.405 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | S473 L474 C475 S481 K514 | S473-T477 WeakPolarHBondContact O-CB 3.32Å; S473-T477 PolarHBondContact O-N 3.14Å; S473-T477 PolarHBondContact O-OG1 2.78Å; L474-T477 PolarHBondContact O-N 2.91Å; L474-T477 VanDerWaalsContact O-N 3.15Å; C475-T477 PolarHBondContact O-N 3.17Å; T477-S481 PolarHBondContact O-N 2.94Å; T477-K514 PolarHBondContact OG1-NZ 3.03Å; T477-K514 VanDerWaalsContact OG1-NZ 3.1Å |
| 478 | L | 56.4 | Low | 57.9 | Low | 19 Ų | 19 | 38.4 Ų | 38.4 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.6 | -37.1 | 174 | -63.8 | -179.3 | 0 | 0 | 0 | 113.3 | V345 L351 L355 L474 C475 L476 S481 L482 | V345-L478 HydrophobicContact CB-CD2 4.34Å; V345-L478 HydrophobicContact CG1-CD2 3.93Å; V345-L478 HydrophobicContact CG2-CD1 3.41Å; V345-L478 VanDerWaalsContact CG2-CD1 3.41Å; V345-L478 HydrophobicContact CG2-CD2 3.37Å; V345-L478 HydrophobicContact CG2-CG 3.97Å; L351-L478 HydrophobicContact CD2-CB 4.21Å; L355-L478 HydrophobicContact CD1-CB 4.27Å; L355-L478 HydrophobicContact CD2-CD1 4.35Å; L474-L478 HydrophobicContact CG-CD1 4.36Å; L474-L478 WeakPolarHBondContact O-CG 3.3Å; L474-L478 PolarHBondContact O-N 2.9Å; C475-L478 WeakPolarHBondContact O-CB 3.47Å; C475-L478 PolarHBondContact O-N 2.89Å; L476-L478 VanDerWaalsContact C-N 3.26Å; L476-L478 PolarHBondContact O-N 2.92Å; L478-S481 WeakPolarHBondContact O-CB 3.22Å; L478-S481 PolarHBondContact O-N 3.12Å; L478-S481 VanDerWaalsContact O-N 3.14Å; L478-S481 PolarHBondContact O-OG 3.28Å; L478-L482 PolarHBondContact O-N 3.47Å |
| 479 | L | 65.1 | Low | 58.8 | Low | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | 175.7 | -70.1 | 161 | 0 | 0 | 0 | 112.1 | F352 L355 C475 L476 S481 L482 A483 L492 F501 I518 | F352-L479 HydrophobicContact CD2-CD2 3.78Å; F352-L479 HydrophobicContact CE2-CD2 4.07Å; L355-L479 HydrophobicContact CD1-CD2 3.77Å; L355-L479 HydrophobicContact CD1-CG 3.97Å; C475-L479 WeakPolarHBondContact O-CD1 3.48Å; C475-L479 VanDerWaalsContact O-CG 3.24Å; C475-L479 WeakPolarHBondContact O-CG 3.38Å; C475-L479 PolarHBondContact O-N 3.17Å; L476-L479 HydrophobicContact CD2-CD1 4.18Å; L476-L479 PolarHBondContact O-N 3.15Å; L479-S481 VanDerWaalsContact C-N 3.3Å; L479-S481 PolarHBondContact O-N 3.19Å; L479-L482 HydrophobicContact CD2-CD1 4.35Å; L479-L482 WeakPolarHBondContact O-CB 3.2Å; L479-L482 PolarHBondContact O-N 3.38Å; L479-L482 VanDerWaalsContact O-N 3.12Å; L479-A483 PolarHBondContact O-N 2.92Å; L479-L492 HydrophobicContact CD2-CD2 3.93Å; L479-F501 HydrophobicContact CD1-CE1 3.54Å; L479-F501 HydrophobicContact CD1-CZ 3.77Å; L479-F501 HydrophobicContact CD2-CZ 4.08Å; L479-F501 HydrophobicContact CG-CZ 4.33Å; L479-I518 HydrophobicContact CB-CD1 4.26Å |
| 480 | S | 68.7 | Low | 59.6 | Low | 33 Ų | 33 | 39.3 Ų | 39.3 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 169.2 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | L476 L482 A483 N484 Q521 | L476-S480 PolarHBondContact O-N 3.42Å; S480-L482 PolarHBondContact O-N 3.18Å; S480-A483 PolarHBondContact O-N 3.22Å; S480-N484 PolarHBondContact O-N 3.37Å; S480-N484 PolarHBondContact O-ND2 2.85Å; S480-N484 PolarHBondContact OG-ND2 3.02Å; S480-Q521 PolarHBondContact OG-OE1 3.14Å |
| 481 | S | 61.8 | Low | 60.3 | Low | 43 Ų | 43 | 37.9 Ų | 37.9 | 30% | 0.301 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -25.2 | 176.1 | 84.8 | 0 | 0 | 0 | 0 | 113.8 | T477 L478 L479 Q485 | T477-S481 PolarHBondContact O-N 2.94Å; L478-S481 WeakPolarHBondContact O-CB 3.22Å; L478-S481 PolarHBondContact O-N 3.12Å; L478-S481 VanDerWaalsContact O-N 3.14Å; L478-S481 PolarHBondContact O-OG 3.28Å; L479-S481 VanDerWaalsContact C-N 3.3Å; L479-S481 PolarHBondContact O-N 3.19Å; S481-Q485 PolarHBondContact O-NE2 3.08Å |
| 482 | L | 60.4 | Low | 61.2 | Low | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -81.8 | -42.1 | 172.2 | -67.5 | 171.5 | 0 | 0 | 0 | 112.3 | L351 F352 L355 L478 L479 S480 N484 Q485 L488 L492 | L351-L482 HydrophobicContact CB-CD1 4.32Å; L351-L482 HydrophobicContact CB-CD2 4.44Å; L351-L482 HydrophobicContact CD2-CD1 4.43Å; L351-L482 HydrophobicContact CD2-CG 4.43Å; F352-L482 HydrophobicContact CB-CD1 4.16Å; L355-L482 HydrophobicContact CD1-CD1 4.46Å; L478-L482 PolarHBondContact O-N 3.47Å; L479-L482 HydrophobicContact CD2-CD1 4.35Å; L479-L482 WeakPolarHBondContact O-CB 3.2Å; L479-L482 PolarHBondContact O-N 3.38Å; L479-L482 VanDerWaalsContact O-N 3.12Å; S480-L482 PolarHBondContact O-N 3.18Å; L482-N484 PolarHBondContact O-N 2.78Å; L482-Q485 PolarHBondContact O-N 3.47Å; L482-L488 HydrophobicContact CD2-CB 4.43Å; L482-L488 HydrophobicContact CD2-CD1 3.99Å; L482-L492 HydrophobicContact CB-CD1 4.22Å |
| 483 | A | 64.6 | Low | 61.9 | Low | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -32.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L479 S480 Q485 L492 I518 Q521 V522 | L479-A483 PolarHBondContact O-N 2.92Å; S480-A483 PolarHBondContact O-N 3.22Å; A483-Q485 PolarHBondContact O-N 3.25Å; A483-L492 HydrophobicContact CB-CD1 3.87Å; A483-I518 HydrophobicContact CB-CG2 4.26Å; A483-Q521 HydrophobicContact CB-CB 4.12Å; A483-V522 HydrophobicContact CB-CG2 3.99Å |
| 484 | N | 67 | Low | 62.2 | Low | 94 Ų | 94 | 39 Ų | 39 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 1.7 | 173.8 | -72.7 | -73.2 | 0 | 0 | 0 | 114.5 | S480 L482 Q521 | S480-N484 PolarHBondContact O-N 3.37Å; S480-N484 PolarHBondContact O-ND2 2.85Å; S480-N484 PolarHBondContact OG-ND2 3.02Å; L482-N484 PolarHBondContact O-N 2.78Å; N484-Q521 PolarHBondContact ND2-OE1 3.16Å; N484-Q521 PolarHBondContact OD1-NE2 2.9Å |
| 485 | Q | 62.1 | Low | 62.8 | Low | 74 Ų | 74 | 39.2 Ų | 39.2 | 35% | 0.346 | 23% | 0.227 | S | C | . | . | trans | -118.9 | 103.8 | -178.2 | -71.1 | 178.4 | 56.8 | 0 | 0 | 111.7 | S481 L482 A483 S487 L488 S489 | S481-Q485 PolarHBondContact O-NE2 3.08Å; L482-Q485 PolarHBondContact O-N 3.47Å; A483-Q485 PolarHBondContact O-N 3.25Å; Q485-S487 PolarHBondContact O-N 3.45Å; Q485-L488 HydrophobicContact CB-CB 4.46Å; Q485-L488 PolarHBondContact O-N 3.21Å; Q485-S489 PolarHBondContact O-N 3.3Å | ||
| 486 | D | 58.7 | Low | 62.6 | Low | 105 Ų | 105 | 43.3 Ų | 43.3 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -31.4 | -176.4 | -69 | -45.6 | 0 | 0 | 0 | 115.3 | L488 S489 N525 | D486-L488 VanDerWaalsContact C-N 3.32Å; D486-S489 PolarHBondContact O-OG 3.31Å; D486-N525 PolarHBondContact OD1-ND2 2.75Å |
| 487 | S | 55.4 | Low | 62.6 | Low | 89 Ų | 89 | 43.3 Ų | 43.3 | 62% | 0.622 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.8 | 179.7 | 57.3 | 0 | 0 | 0 | 0 | 114 | Q485 H490 | Q485-S487 PolarHBondContact O-N 3.45Å; S487-H490 PolarHBondContact O-CE1 2.86Å; S487-H490 PolarHBondContact O-ND1 3.32Å; S487-H490 VanDerWaalsContact O-ND1 3.14Å |
| 488 | L | 54.7 | Low | 62.9 | Low | 43 Ų | 43 | 40.2 Ų | 40.2 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -17 | -176.6 | -64.9 | 178.8 | 0 | 0 | 0 | 113.6 | L482 Q485 D486 H490 T491 | L482-L488 HydrophobicContact CD2-CB 4.43Å; L482-L488 HydrophobicContact CD2-CD1 3.99Å; Q485-L488 HydrophobicContact CB-CB 4.46Å; Q485-L488 PolarHBondContact O-N 3.21Å; D486-L488 VanDerWaalsContact C-N 3.32Å; L488-H490 PolarHBondContact O-N 3.01Å; L488-H490 VanDerWaalsContact O-N 3.15Å; L488-T491 WeakPolarHBondContact O-CB 3.28Å; L488-T491 PolarHBondContact O-N 3.04Å; L488-T491 PolarHBondContact O-OG1 3.23Å |
| 489 | S | 63.5 | Low | 63.4 | Low | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -53.4 | -33.1 | 179.1 | 55 | 0 | 0 | 0 | 0 | 113.6 | Q485 D486 T491 L492 C493 N525 C528 | Q485-S489 PolarHBondContact O-N 3.3Å; D486-S489 PolarHBondContact O-OG 3.31Å; S489-T491 PolarHBondContact O-N 3.5Å; S489-T491 VanDerWaalsContact O-N 3.11Å; S489-L492 WeakPolarHBondContact O-CB 3.31Å; S489-L492 PolarHBondContact O-N 3.23Å; S489-C493 PolarHBondContact O-SG 3.36Å; S489-N525 PolarHBondContact OG-ND2 2.95Å; S489-C528 PolarHBondContact OG-SG 3.17Å; S489-C528 VanDerWaalsContact OG-SG 3.37Å |
| 490 | H | 64.8 | Low | 63.2 | Low | 94 Ų | 94 | 41.6 Ų | 41.6 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -53.2 | -29.5 | 172.8 | 73.3 | -92.2 | 0 | 0 | 0 | 113.9 | S487 L488 L492 C493 L531 | S487-H490 PolarHBondContact O-CE1 2.86Å; S487-H490 PolarHBondContact O-ND1 3.32Å; S487-H490 VanDerWaalsContact O-ND1 3.14Å; L488-H490 PolarHBondContact O-N 3.01Å; L488-H490 VanDerWaalsContact O-N 3.15Å; H490-L492 PolarHBondContact O-N 3.36Å; H490-C493 WeakPolarHBondContact O-CB 3.4Å; H490-C493 PolarHBondContact O-N 3.29Å; H490-L531 HydrophobicContact CB-CD1 3.76Å |
| 491 | T | 59.8 | Low | 63.4 | Low | 47 Ų | 47 | 40.1 Ų | 40.1 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -69.7 | -16.7 | 178.2 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | L488 S489 | L488-T491 WeakPolarHBondContact O-CB 3.28Å; L488-T491 PolarHBondContact O-N 3.04Å; L488-T491 PolarHBondContact O-OG1 3.23Å; S489-T491 PolarHBondContact O-N 3.5Å; S489-T491 VanDerWaalsContact O-N 3.11Å |
| 492 | L | 66.8 | Low | 63.9 | Low | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -91.8 | 2.9 | 176.8 | -56 | 178.1 | 0 | 0 | 0 | 113.1 | F352 L479 L482 A483 S489 H490 V497 W498 V522 | F352-L492 HydrophobicContact CD2-CD2 3.55Å; F352-L492 HydrophobicContact CE2-CD2 3.86Å; F352-L492 HydrophobicContact CG-CD2 4.39Å; L479-L492 HydrophobicContact CD2-CD2 3.93Å; L482-L492 HydrophobicContact CB-CD1 4.22Å; A483-L492 HydrophobicContact CB-CD1 3.87Å; S489-L492 WeakPolarHBondContact O-CB 3.31Å; S489-L492 PolarHBondContact O-N 3.23Å; H490-L492 PolarHBondContact O-N 3.36Å; L492-V497 HydrophobicContact CD2-CG1 4.45Å; L492-W498 PolarHBondContact O-NE1 3.41Å; L492-W498 VanDerWaalsContact O-NE1 3.12Å; L492-V522 HydrophobicContact CB-CG2 4.05Å; L492-V522 HydrophobicContact CD1-CG2 3.81Å |
| 493 | C | 69.5 | Low | 64.1 | Low | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | trans | -95.7 | -7.2 | -169.7 | -61 | 0 | 0 | 0 | 0 | 115 | S489 H490 C528 L531 L532 N535 | S489-C493 PolarHBondContact O-SG 3.36Å; H490-C493 WeakPolarHBondContact O-CB 3.4Å; H490-C493 PolarHBondContact O-N 3.29Å; C493-C528 VanDerWaalsContact SG-CB 3.55Å; C493-C528 PolarHBondContact SG-SG 3.39Å; C493-L531 HydrophobicContact CB-CB 3.87Å; C493-L532 HydrophobicContact CB-CD2 4.22Å; C493-N535 WeakPolarHBondContact O-CB 3.27Å | ||
| 494 | S | 65.2 | Low | 64.1 | Low | 49 Ų | 49 | 38 Ų | 38 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -79.1 | 153 | -176.3 | 80.6 | 0 | 0 | 0 | 0 | 113.4 | N496 V497 W498 N535 | S494-N496 PolarHBondContact O-N 3.03Å; S494-N496 VanDerWaalsContact O-N 3.12Å; S494-V497 WeakPolarHBondContact O-CB 3.48Å; S494-V497 PolarHBondContact O-N 3.47Å; S494-V497 WeakPolarHBondContact OG-CG2 3.46Å; S494-W498 PolarHBondContact O-N 3.17Å; S494-N535 WeakPolarHBondContact CA-OD1 3.5Å |
| 495 | T | 65.5 | Low | 64.3 | Low | 46 Ų | 46 | 33.5 Ų | 33.5 | 28% | 0.282 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -46.9 | -42.4 | -178.1 | -44.6 | 0 | 0 | 0 | 0 | 113 | W498 H499 N535 L540 | T495-W498 PolarHBondContact O-N 3.27Å; T495-H499 WeakPolarHBondContact O-CB 3.43Å; T495-H499 PolarHBondContact O-N 2.86Å; T495-H499 PolarHBondContact O-ND1 3Å; T495-N535 PolarHBondContact N-OD1 2.76Å; T495-N535 PolarHBondContact OG1-OD1 2.9Å; T495-L540 HydrophobicContact CG2-CD1 4.05Å |
| 496 | N | 56.1 | Low | 64.4 | Low | 87 Ų | 87 | 30.3 Ų | 30.3 | 47% | 0.465 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -70.7 | -32 | -179.2 | -58.2 | 46 | 0 | 0 | 0 | 112.8 | S494 T500 | S494-N496 PolarHBondContact O-N 3.03Å; S494-N496 VanDerWaalsContact O-N 3.12Å; N496-T500 WeakPolarHBondContact O-CB 3.43Å; N496-T500 PolarHBondContact O-N 3.37Å; N496-T500 PolarHBondContact O-OG1 2.75Å |
| 497 | V | 64.3 | Low | 64.4 | Low | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -46.2 | 174.3 | -167.3 | 0 | 0 | 0 | 0 | 109.6 | F352 L492 S494 T500 F501 | F352-V497 HydrophobicContact CE1-CG2 3.77Å; F352-V497 HydrophobicContact CE2-CG1 3.69Å; F352-V497 HydrophobicContact CE2-CG2 4.16Å; F352-V497 HydrophobicContact CZ-CB 4.05Å; F352-V497 HydrophobicContact CZ-CG1 3.67Å; F352-V497 HydrophobicContact CZ-CG2 3.37Å; L492-V497 HydrophobicContact CD2-CG1 4.45Å; S494-V497 WeakPolarHBondContact O-CB 3.48Å; S494-V497 PolarHBondContact O-N 3.47Å; S494-V497 WeakPolarHBondContact OG-CG2 3.46Å; V497-T500 PolarHBondContact O-N 3.42Å; V497-F501 HydrophobicContact CG1-CD2 3.83Å; V497-F501 HydrophobicContact CG1-CE1 4.46Å; V497-F501 HydrophobicContact CG1-CE2 3.44Å; V497-F501 VanDerWaalsContact CG1-CE2 3.44Å; V497-F501 HydrophobicContact CG1-CZ 3.78Å; V497-F501 WeakPolarHBondContact O-CG 3.18Å; V497-F501 PolarHBondContact O-N 3.24Å |
| 498 | W | 71.1 | Confident | 64.7 | Low | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 179.1 | -80.4 | 83 | 0 | 0 | 0 | 111.9 | L492 S494 T495 T500 F501 L502 L519 V522 L523 L532 V537 L540 I541 | L492-W498 PolarHBondContact O-NE1 3.41Å; L492-W498 VanDerWaalsContact O-NE1 3.12Å; S494-W498 PolarHBondContact O-N 3.17Å; T495-W498 PolarHBondContact O-N 3.27Å; W498-T500 VanDerWaalsContact C-N 3.34Å; W498-T500 PolarHBondContact O-N 2.73Å; W498-F501 PolarHBondContact O-N 3.2Å; W498-L502 HydrophobicContact CB-CD1 4.47Å; W498-L502 HydrophobicContact CE3-CD1 4.34Å; W498-L502 HydrophobicContact CE3-CG 4.49Å; W498-L502 VanDerWaalsContact O-CB 3.3Å; W498-L502 WeakPolarHBondContact O-CB 3.37Å; W498-L502 WeakPolarHBondContact O-CD1 3.26Å; W498-L502 WeakPolarHBondContact O-CG 3.47Å; W498-L502 PolarHBondContact O-N 2.06Å; W498-L519 HydrophobicContact CD2-CD2 4.45Å; W498-L519 HydrophobicContact CE3-CD2 4.07Å; W498-L519 HydrophobicContact CH2-CB 4.06Å; W498-L519 HydrophobicContact CH2-CD2 3.73Å; W498-L519 HydrophobicContact CH2-CG 4.39Å; W498-L519 HydrophobicContact CZ2-CD2 4.11Å; W498-L519 HydrophobicContact CZ3-CB 4.35Å; W498-L519 HydrophobicContact CZ3-CD1 4.33Å; W498-L519 HydrophobicContact CZ3-CD2 3.71Å; W498-L519 HydrophobicContact CZ3-CG 4.35Å; W498-V522 HydrophobicContact CZ2-CB 4.49Å; W498-V522 HydrophobicContact CZ2-CG1 4.19Å; W498-L523 HydrophobicContact CH2-CD1 4.03Å; W498-L523 HydrophobicContact CH2-CD2 3.71Å; W498-L523 HydrophobicContact CH2-CG 3.75Å; W498-L523 HydrophobicContact CZ2-CD2 4.08Å; W498-L523 HydrophobicContact CZ2-CG 4.27Å; W498-L532 HydrophobicContact CZ2-CD2 3.81Å; W498-V537 HydrophobicContact CD2-CB 4.41Å; W498-V537 HydrophobicContact CD2-CG1 3.55Å; W498-V537 HydrophobicContact CD2-CG2 3.95Å; W498-V537 HydrophobicContact CE3-CG1 3.52Å; W498-V537 HydrophobicContact CG-CG1 4.27Å; W498-V537 HydrophobicContact CG-CG2 3.81Å; W498-V537 HydrophobicContact CH2-CG1 3.79Å; W498-V537 HydrophobicContact CZ2-CG1 3.83Å; W498-V537 HydrophobicContact CZ3-CG1 3.63Å; W498-L540 HydrophobicContact CB-CD1 3.74Å; W498-I541 HydrophobicContact CE3-CD1 4.48Å; W498-I541 HydrophobicContact CE3-CG1 4.2Å; W498-I541 HydrophobicContact CH2-CD1 4.33Å; W498-I541 HydrophobicContact CZ3-CD1 3.76Å; W498-I541 HydrophobicContact CZ3-CG1 3.83Å |
| 499 | H | 65.5 | Low | 64.6 | Low | 36 Ų | 36 | 23.6 Ų | 23.6 | 17% | 0.167 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -52.1 | -50.7 | 168.7 | -87.8 | 71.1 | 0 | 0 | 0 | 112.2 | T495 F501 L502 A503 L540 Y544 | T495-H499 WeakPolarHBondContact O-CB 3.43Å; T495-H499 PolarHBondContact O-N 2.86Å; T495-H499 PolarHBondContact O-ND1 3Å; H499-F501 VanDerWaalsContact C-N 3.34Å; H499-F501 PolarHBondContact O-N 3.4Å; H499-L502 PolarHBondContact O-N 3.26Å; H499-A503 VanDerWaalsContact O-CB 3.25Å; H499-A503 WeakPolarHBondContact O-CB 3.34Å; H499-A503 PolarHBondContact O-N 3.32Å; H499-L540 VanDerWaalsContact CE1-CD2 3.44Å; H499-L540 WeakPolarHBondContact CE1-CD2 3.44Å; H499-Y544 AromaticContact CD2-CZ 3.66Å; H499-Y544 PolarHBondContact CD2-OH 3.43Å; H499-Y544 AromaticContact NE2-CE2 3.82Å; H499-Y544 AromaticContact NE2-CZ 3.83Å; H499-Y544 PolarHBondContact NE2-OH 3.09Å; H499-Y544 VanDerWaalsContact NE2-OH 3.13Å |
| 500 | T | 61.7 | Low | 64.3 | Low | 16 Ų | 16 | 29.9 Ų | 29.9 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | -179.3 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | L359 V365 N496 V497 W498 L504 | L359-T500 HydrophobicContact CD1-CG2 4.08Å; V365-T500 HydrophobicContact CG1-CG2 4.48Å; V365-T500 HydrophobicContact CG2-CG2 4.35Å; N496-T500 WeakPolarHBondContact O-CB 3.43Å; N496-T500 PolarHBondContact O-N 3.37Å; N496-T500 PolarHBondContact O-OG1 2.75Å; V497-T500 PolarHBondContact O-N 3.42Å; W498-T500 VanDerWaalsContact C-N 3.34Å; W498-T500 PolarHBondContact O-N 2.73Å; T500-L504 HydrophobicContact CG2-CD1 4.26Å; T500-L504 WeakPolarHBondContact O-CB 3.45Å; T500-L504 WeakPolarHBondContact O-CG 3.15Å; T500-L504 PolarHBondContact O-N 3.05Å |
| 501 | F | 72.5 | Confident | 63.9 | Low | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.7 | -39.5 | 178.2 | -72.5 | -21.4 | 0 | 0 | 0 | 113.7 | L479 V497 W498 H499 L504 A505 L515 L519 | L479-F501 HydrophobicContact CD1-CE1 3.54Å; L479-F501 HydrophobicContact CD1-CZ 3.77Å; L479-F501 HydrophobicContact CD2-CZ 4.08Å; L479-F501 HydrophobicContact CG-CZ 4.33Å; V497-F501 HydrophobicContact CG1-CD2 3.83Å; V497-F501 HydrophobicContact CG1-CE1 4.46Å; V497-F501 HydrophobicContact CG1-CE2 3.44Å; V497-F501 VanDerWaalsContact CG1-CE2 3.44Å; V497-F501 HydrophobicContact CG1-CZ 3.78Å; V497-F501 WeakPolarHBondContact O-CG 3.18Å; V497-F501 PolarHBondContact O-N 3.24Å; W498-F501 PolarHBondContact O-N 3.2Å; H499-F501 VanDerWaalsContact C-N 3.34Å; H499-F501 PolarHBondContact O-N 3.4Å; F501-L504 PolarHBondContact O-N 3.13Å; F501-A505 WeakPolarHBondContact O-CB 3.46Å; F501-A505 PolarHBondContact O-N 3.21Å; F501-L515 HydrophobicContact CB-CD1 4.02Å; F501-L515 HydrophobicContact CD1-CD1 3.87Å; F501-L515 HydrophobicContact CG-CD1 3.93Å; F501-L519 HydrophobicContact CB-CD2 3.95Å; F501-L519 HydrophobicContact CD2-CD2 3.46Å; F501-L519 VanDerWaalsContact CD2-CD2 3.46Å; F501-L519 HydrophobicContact CE2-CD2 4.28Å; F501-L519 HydrophobicContact CG-CD2 4.06Å |
| 502 | L | 73.6 | Confident | 64.3 | Low | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.5 | -39.1 | 179.1 | -64.8 | 167.1 | 0 | 0 | 0 | 110.5 | W498 H499 A505 V506 L540 Y544 L545 | W498-L502 HydrophobicContact CB-CD1 4.47Å; W498-L502 HydrophobicContact CE3-CD1 4.34Å; W498-L502 HydrophobicContact CE3-CG 4.49Å; W498-L502 VanDerWaalsContact O-CB 3.3Å; W498-L502 WeakPolarHBondContact O-CB 3.37Å; W498-L502 WeakPolarHBondContact O-CD1 3.26Å; W498-L502 WeakPolarHBondContact O-CG 3.47Å; W498-L502 PolarHBondContact O-N 2.06Å; H499-L502 PolarHBondContact O-N 3.26Å; L502-A505 PolarHBondContact O-N 3.2Å; L502-V506 WeakPolarHBondContact O-CG2 3.31Å; L502-V506 PolarHBondContact O-N 3.31Å; L502-V506 VanDerWaalsContact O-N 3.1Å; L502-L540 HydrophobicContact CD1-CB 3.75Å; L502-Y544 HydrophobicContact CB-CD1 3.87Å; L502-Y544 HydrophobicContact CB-CD2 4.47Å; L502-Y544 HydrophobicContact CB-CG 3.76Å; L502-Y544 HydrophobicContact CD1-CD2 4.19Å; L502-Y544 HydrophobicContact CD1-CG 4.2Å; L502-L545 HydrophobicContact CD2-CD1 3.56Å; L502-L545 HydrophobicContact CD2-CG 3.85Å |
| 503 | A | 63.2 | Low | 64.4 | Low | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y457 H499 A505 V506 T507 | Y457-A503 HydrophobicContact CD1-CB 4.29Å; Y457-A503 HydrophobicContact CE1-CB 3.94Å; H499-A503 VanDerWaalsContact O-CB 3.25Å; H499-A503 WeakPolarHBondContact O-CB 3.34Å; H499-A503 PolarHBondContact O-N 3.32Å; A503-A505 VanDerWaalsContact C-N 3.29Å; A503-A505 PolarHBondContact O-N 2.91Å; A503-V506 PolarHBondContact O-N 3.49Å; A503-T507 WeakPolarHBondContact O-CG2 3.44Å; A503-T507 PolarHBondContact O-N 3.12Å; A503-T507 PolarHBondContact O-OG1 2.89Å; A503-T507 VanDerWaalsContact O-OG1 3.05Å |
| 504 | L | 66 | Low | 64.5 | Low | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -33.6 | 174.1 | -88.1 | 164.2 | 0 | 0 | 0 | 113.6 | V472 T500 F501 M508 L515 | V472-L504 HydrophobicContact CG1-CD2 4.48Å; T500-L504 HydrophobicContact CG2-CD1 4.26Å; T500-L504 WeakPolarHBondContact O-CB 3.45Å; T500-L504 WeakPolarHBondContact O-CG 3.15Å; T500-L504 PolarHBondContact O-N 3.05Å; F501-L504 PolarHBondContact O-N 3.13Å; L504-M508 WeakPolarHBondContact O-CB 3.41Å; L504-M508 WeakPolarHBondContact O-CG 3.25Å; L504-M508 PolarHBondContact O-N 3.38Å; L504-L515 HydrophobicContact CB-CD2 4.14Å |
| 505 | A | 71 | Confident | 65 | Low | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.9 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F501 L502 A503 L515 L545 L558 | F501-A505 WeakPolarHBondContact O-CB 3.46Å; F501-A505 PolarHBondContact O-N 3.21Å; L502-A505 PolarHBondContact O-N 3.2Å; A503-A505 VanDerWaalsContact C-N 3.29Å; A503-A505 PolarHBondContact O-N 2.91Å; A505-L515 HydrophobicContact CB-CD2 3.98Å; A505-L545 HydrophobicContact CB-CD2 4.25Å; A505-L558 WeakPolarHBondContact O-CD2 3.22Å |
| 506 | V | 64.2 | Low | 65.8 | Low | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.1 | -44.6 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | L454 L502 A503 H509 L545 L558 | L454-V506 HydrophobicContact CD1-CG1 4.13Å; L502-V506 WeakPolarHBondContact O-CG2 3.31Å; L502-V506 PolarHBondContact O-N 3.31Å; L502-V506 VanDerWaalsContact O-N 3.1Å; A503-V506 PolarHBondContact O-N 3.49Å; V506-H509 PolarHBondContact O-N 2.87Å; V506-L545 HydrophobicContact CG2-CD2 4.28Å; V506-L558 HydrophobicContact CG1-CD1 4.49Å; V506-L558 HydrophobicContact CG2-CD1 4.24Å; V506-L558 HydrophobicContact CG2-CD2 4.38Å |
| 507 | T | 58.6 | Low | 67 | Low | 29 Ų | 29 | 31.2 Ų | 31.2 | 18% | 0.178 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77 | -21.5 | -173 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | F460 A503 H509 | F460-T507 HydrophobicContact CB-CG2 3.73Å; F460-T507 HydrophobicContact CD1-CG2 3.78Å; F460-T507 HydrophobicContact CD2-CG2 4.47Å; F460-T507 HydrophobicContact CE1-CG2 4.5Å; F460-T507 HydrophobicContact CG-CG2 3.75Å; A503-T507 WeakPolarHBondContact O-CG2 3.44Å; A503-T507 PolarHBondContact O-N 3.12Å; A503-T507 PolarHBondContact O-OG1 2.89Å; A503-T507 VanDerWaalsContact O-OG1 3.05Å; T507-H509 VanDerWaalsContact C-N 3.25Å; T507-H509 PolarHBondContact O-CD2 3.01Å; T507-H509 PolarHBondContact O-N 3.11Å |
| 508 | M | 60.5 | Low | 67.7 | Low | 15 Ų | 15 | 31.1 Ų | 31.1 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 8.3 | 175.1 | -67.4 | -158.8 | -61.6 | 0 | 0 | 114.4 | F469 V472 L476 L504 Y510 Y512 | F469-M508 HydrophobicContact CE1-SD 4.43Å; F469-M508 HydrophobicContact CE2-SD 4.27Å; F469-M508 HydrophobicContact CZ-SD 3.91Å; V472-M508 HydrophobicContact CG1-CE 4.35Å; V472-M508 HydrophobicContact CG1-SD 3.93Å; L476-M508 HydrophobicContact CD1-CE 4.2Å; L504-M508 WeakPolarHBondContact O-CB 3.41Å; L504-M508 WeakPolarHBondContact O-CG 3.25Å; L504-M508 PolarHBondContact O-N 3.38Å; M508-Y510 PolarHBondContact O-N 3.2Å; M508-Y512 HydrophobicContact CE-CD1 4.25Å; M508-Y512 HydrophobicContact CE-CG 3.96Å |
| 509 | H | 52.8 | Low | 68.4 | Low | 52 Ų | 52 | 31.1 Ų | 31.1 | 24% | 0.241 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 56.6 | 10.5 | 168.6 | -71.4 | -62.6 | 0 | 0 | 0 | 118.1 | M445 V506 T507 N554 | M445-H509 PolarHBondContact SD-CE1 2.92Å; V506-H509 PolarHBondContact O-N 2.87Å; T507-H509 VanDerWaalsContact C-N 3.25Å; T507-H509 PolarHBondContact O-CD2 3.01Å; T507-H509 PolarHBondContact O-N 3.11Å; H509-N554 PolarHBondContact O-ND2 3.25Å; H509-N554 PolarHBondContact O-OD1 2.61Å; H509-N554 VanDerWaalsContact O-OD1 3.08Å |
| 510 | Y | 57.2 | Low | 69.3 | Low | 134 Ų | 134 | 31.2 Ų | 31.2 | 53% | 0.525 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -158.5 | 145.1 | 154.4 | -121.2 | -92.7 | 0 | 0 | 0 | 106 | M508 Y512 A557 | M508-Y510 PolarHBondContact O-N 3.2Å; Y510-Y512 PolarHBondContact O-N 3.42Å; Y510-A557 HydrophobicContact CE1-CB 4.09Å |
| 511 | P | 57.7 | Low | 70.3 | Confident | 22 Ų | 22 | 33.5 Ų | 33.5 | 14% | 0.143 | 16% | 0.162 | C | C | . | . | trans | -65.7 | 90.4 | -179.8 | 25 | -34.7 | 0 | 0 | 0 | 111.7 | E513 I516 A561 | P511-E513 PolarHBondContact O-N 2.74Å; P511-I516 HydrophobicContact CB-CD1 3.96Å; P511-I516 HydrophobicContact CB-CG1 3.87Å; P511-A561 HydrophobicContact CB-CB 3.89Å; P511-A561 HydrophobicContact CG-CB 4.03Å | ||
| 512 | Y | 66.9 | Low | 70.7 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 9% | 0.09 | 16% | 0.162 | C | C | . | . | trans | -52.4 | 118.3 | -173.2 | -176.4 | -102.5 | 0 | 0 | 0 | 111.7 | L436 F469 S473 L476 M508 Y510 K514 L515 I516 | L436-Y512 HydrophobicContact CD1-CE2 3.78Å; L436-Y512 HydrophobicContact CD2-CD2 4.15Å; L436-Y512 HydrophobicContact CD2-CE2 4.22Å; F469-Y512 HydrophobicContact CE1-CE2 4.39Å; S473-Y512 PolarHBondContact OG-OH 2.99Å; L476-Y512 HydrophobicContact CD1-CD1 3.53Å; L476-Y512 HydrophobicContact CD1-CE1 3.49Å; L476-Y512 VanDerWaalsContact CD1-CE1 3.49Å; M508-Y512 HydrophobicContact CE-CD1 4.25Å; M508-Y512 HydrophobicContact CE-CG 3.96Å; Y510-Y512 PolarHBondContact O-N 3.42Å; Y512-K514 VanDerWaalsContact C-N 3.27Å; Y512-K514 HydrophobicContact CD1-CB 3.94Å; Y512-K514 HydrophobicContact CE1-CB 3.67Å; Y512-K514 HydrophobicContact CE1-CD 3.84Å; Y512-K514 HydrophobicContact CE1-CG 3.9Å; Y512-K514 PolarHBondContact O-N 2.93Å; Y512-L515 HydrophobicContact CD1-CB 4.35Å; Y512-L515 WeakPolarHBondContact O-CA 3.45Å; Y512-L515 VanDerWaalsContact O-CB 3.32Å; Y512-L515 WeakPolarHBondContact O-CB 3.24Å; Y512-L515 PolarHBondContact O-N 2.88Å; Y512-I516 PolarHBondContact O-N 3.27Å | ||
| 513 | E | 70.2 | Confident | 71.2 | Confident | 164 Ų | 164 | 33.6 Ų | 33.6 | 77% | 0.766 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -56 | -36.9 | -163.5 | -63.5 | -170.9 | 140.6 | 0 | 0 | 114.2 | P511 L515 I516 C517 | P511-E513 PolarHBondContact O-N 2.74Å; E513-L515 VanDerWaalsContact C-N 3.32Å; E513-L515 PolarHBondContact O-N 3.37Å; E513-I516 PolarHBondContact O-N 2.92Å; E513-C517 WeakPolarHBondContact O-CB 3.34Å; E513-C517 PolarHBondContact O-N 3.09Å; E513-C517 PolarHBondContact O-SG 3.09Å |
| 514 | K | 70.7 | Confident | 72.1 | Confident | 56 Ų | 56 | 41.3 Ų | 41.3 | 24% | 0.243 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 175.5 | -62.9 | -174.2 | -175.4 | 172.1 | 0 | 111.6 | S473 T477 Y512 C517 I518 | S473-K514 PolarHBondContact OG-NZ 3.4Å; T477-K514 PolarHBondContact OG1-NZ 3.03Å; T477-K514 VanDerWaalsContact OG1-NZ 3.1Å; Y512-K514 VanDerWaalsContact C-N 3.27Å; Y512-K514 HydrophobicContact CD1-CB 3.94Å; Y512-K514 HydrophobicContact CE1-CB 3.67Å; Y512-K514 HydrophobicContact CE1-CD 3.84Å; Y512-K514 HydrophobicContact CE1-CG 3.9Å; Y512-K514 PolarHBondContact O-N 2.93Å; K514-C517 PolarHBondContact O-N 3.1Å; K514-I518 VanDerWaalsContact O-CD1 3.3Å; K514-I518 WeakPolarHBondContact O-CD1 3.28Å; K514-I518 WeakPolarHBondContact O-CG1 3.35Å; K514-I518 PolarHBondContact O-N 3.43Å |
| 515 | L | 76.2 | Confident | 72.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.8 | -47.2 | 179.7 | 176.4 | 57.2 | 0 | 0 | 0 | 110.5 | L476 F501 L504 A505 Y512 E513 C517 I518 L519 | L476-L515 HydrophobicContact CD1-CB 4.41Å; L476-L515 HydrophobicContact CD2-CB 4.27Å; L476-L515 HydrophobicContact CD2-CD1 3.84Å; F501-L515 HydrophobicContact CB-CD1 4.02Å; F501-L515 HydrophobicContact CD1-CD1 3.87Å; F501-L515 HydrophobicContact CG-CD1 3.93Å; L504-L515 HydrophobicContact CB-CD2 4.14Å; A505-L515 HydrophobicContact CB-CD2 3.98Å; Y512-L515 HydrophobicContact CD1-CB 4.35Å; Y512-L515 WeakPolarHBondContact O-CA 3.45Å; Y512-L515 VanDerWaalsContact O-CB 3.32Å; Y512-L515 WeakPolarHBondContact O-CB 3.24Å; Y512-L515 PolarHBondContact O-N 2.88Å; E513-L515 VanDerWaalsContact C-N 3.32Å; E513-L515 PolarHBondContact O-N 3.37Å; L515-C517 VanDerWaalsContact C-N 3.31Å; L515-C517 PolarHBondContact O-N 3.37Å; L515-I518 WeakPolarHBondContact O-CB 3.5Å; L515-I518 PolarHBondContact O-N 2.83Å; L515-I518 VanDerWaalsContact O-N 3.14Å; L515-L519 HydrophobicContact CD1-CG 4.38Å; L515-L519 WeakPolarHBondContact O-CG 3.4Å; L515-L519 PolarHBondContact O-N 3.4Å |
| 516 | I | 81.3 | Confident | 73 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 174 | -59.4 | -55.3 | 0 | 0 | 0 | 111.2 | P511 Y512 E513 I518 L519 K520 A561 L565 | P511-I516 HydrophobicContact CB-CD1 3.96Å; P511-I516 HydrophobicContact CB-CG1 3.87Å; Y512-I516 PolarHBondContact O-N 3.27Å; E513-I516 PolarHBondContact O-N 2.92Å; I516-I518 PolarHBondContact O-N 3.31Å; I516-L519 PolarHBondContact O-N 2.73Å; I516-K520 HydrophobicContact CG2-CD 4.24Å; I516-K520 HydrophobicContact CG2-CG 4.36Å; I516-K520 WeakPolarHBondContact O-CB 3.44Å; I516-K520 VanDerWaalsContact O-CG 3.31Å; I516-K520 WeakPolarHBondContact O-CG 3.38Å; I516-K520 PolarHBondContact O-N 2.96Å; I516-A561 HydrophobicContact CD1-CB 4.03Å; I516-L565 HydrophobicContact CD1-CD1 4.35Å; I516-L565 HydrophobicContact CG2-CD2 4.46Å |
| 517 | C | 81.6 | Confident | 73.5 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -43.1 | 173.4 | -73.7 | 0 | 0 | 0 | 0 | 112.6 | E513 K514 L515 K520 Q521 | E513-C517 WeakPolarHBondContact O-CB 3.34Å; E513-C517 PolarHBondContact O-N 3.09Å; E513-C517 PolarHBondContact O-SG 3.09Å; K514-C517 PolarHBondContact O-N 3.1Å; L515-C517 VanDerWaalsContact C-N 3.31Å; L515-C517 PolarHBondContact O-N 3.37Å; C517-K520 PolarHBondContact O-N 2.97Å; C517-Q521 WeakPolarHBondContact O-CB 3.45Å; C517-Q521 VanDerWaalsContact O-CG 3.3Å; C517-Q521 WeakPolarHBondContact O-CG 3.09Å; C517-Q521 PolarHBondContact O-N 2.92Å |
| 518 | I | 79 | Confident | 74.5 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -48.5 | 176.6 | -68.6 | 157.3 | 0 | 0 | 0 | 110.7 | L476 L479 A483 K514 L515 I516 K520 Q521 V522 | L476-I518 HydrophobicContact CB-CD1 4.16Å; L476-I518 HydrophobicContact CD2-CD1 4.2Å; L476-I518 WeakPolarHBondContact O-CD1 3.41Å; L479-I518 HydrophobicContact CB-CD1 4.26Å; A483-I518 HydrophobicContact CB-CG2 4.26Å; K514-I518 VanDerWaalsContact O-CD1 3.3Å; K514-I518 WeakPolarHBondContact O-CD1 3.28Å; K514-I518 WeakPolarHBondContact O-CG1 3.35Å; K514-I518 PolarHBondContact O-N 3.43Å; L515-I518 WeakPolarHBondContact O-CB 3.5Å; L515-I518 PolarHBondContact O-N 2.83Å; L515-I518 VanDerWaalsContact O-N 3.14Å; I516-I518 PolarHBondContact O-N 3.31Å; I518-K520 PolarHBondContact O-N 3.24Å; I518-Q521 WeakPolarHBondContact O-CB 3.38Å; I518-Q521 PolarHBondContact O-N 3.22Å; I518-Q521 VanDerWaalsContact O-N 3.14Å; I518-V522 WeakPolarHBondContact O-CG2 3.3Å; I518-V522 PolarHBondContact O-N 3.33Å |
| 519 | L | 85.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 177.9 | -63.8 | 179.2 | 0 | 0 | 0 | 111 | W498 F501 L515 I516 Q521 V522 L523 L565 | W498-L519 HydrophobicContact CD2-CD2 4.45Å; W498-L519 HydrophobicContact CE3-CD2 4.07Å; W498-L519 HydrophobicContact CH2-CB 4.06Å; W498-L519 HydrophobicContact CH2-CD2 3.73Å; W498-L519 HydrophobicContact CH2-CG 4.39Å; W498-L519 HydrophobicContact CZ2-CD2 4.11Å; W498-L519 HydrophobicContact CZ3-CB 4.35Å; W498-L519 HydrophobicContact CZ3-CD1 4.33Å; W498-L519 HydrophobicContact CZ3-CD2 3.71Å; W498-L519 HydrophobicContact CZ3-CG 4.35Å; F501-L519 HydrophobicContact CB-CD2 3.95Å; F501-L519 HydrophobicContact CD2-CD2 3.46Å; F501-L519 VanDerWaalsContact CD2-CD2 3.46Å; F501-L519 HydrophobicContact CE2-CD2 4.28Å; F501-L519 HydrophobicContact CG-CD2 4.06Å; L515-L519 HydrophobicContact CD1-CG 4.38Å; L515-L519 WeakPolarHBondContact O-CG 3.4Å; L515-L519 PolarHBondContact O-N 3.4Å; I516-L519 PolarHBondContact O-N 2.73Å; L519-Q521 VanDerWaalsContact C-N 3.31Å; L519-Q521 PolarHBondContact O-N 2.93Å; L519-V522 PolarHBondContact O-N 3.4Å; L519-L523 VanDerWaalsContact O-CG 3.27Å; L519-L523 WeakPolarHBondContact O-CG 3.47Å; L519-L523 PolarHBondContact O-N 2.81Å; L519-L565 HydrophobicContact CB-CD1 4.49Å; L519-L565 HydrophobicContact CB-CD2 3.57Å; L519-L565 HydrophobicContact CD1-CD1 3.91Å; L519-L565 HydrophobicContact CD1-CD2 4.44Å |
| 520 | K | 85.4 | Confident | 76.8 | Confident | 39 Ų | 39 | 51 Ų | 51 | 17% | 0.17 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -35.7 | 173.9 | -73.2 | -173.6 | -176.7 | -174.8 | 0 | 113.3 | I516 C517 I518 R524 D564 L565 T568 | I516-K520 HydrophobicContact CG2-CD 4.24Å; I516-K520 HydrophobicContact CG2-CG 4.36Å; I516-K520 WeakPolarHBondContact O-CB 3.44Å; I516-K520 VanDerWaalsContact O-CG 3.31Å; I516-K520 WeakPolarHBondContact O-CG 3.38Å; I516-K520 PolarHBondContact O-N 2.96Å; C517-K520 PolarHBondContact O-N 2.97Å; I518-K520 PolarHBondContact O-N 3.24Å; K520-R524 WeakPolarHBondContact O-CB 3.45Å; K520-R524 WeakPolarHBondContact O-CD 3.43Å; K520-R524 WeakPolarHBondContact O-CG 3.13Å; K520-R524 PolarHBondContact O-N 2.9Å; K520-R524 VanDerWaalsContact O-N 3.08Å; K520-D564 VanDerWaalsContact CE-CG 3.46Å; K520-D564 VanDerWaalsContact CE-OD1 3.22Å; K520-D564 WeakPolarHBondContact CE-OD1 3.37Å; K520-D564 WeakPolarHBondContact CE-OD2 3.34Å; K520-D564 IonicContact NZ-OD1 3.05Å; K520-D564 PolarHBondContact NZ-OD1 2.96Å; K520-D564 IonicContact NZ-OD2 3.47Å; K520-D564 PolarHBondContact NZ-OD2 3.04Å; K520-L565 HydrophobicContact CG-CD2 3.79Å; K520-T568 HydrophobicContact CB-CG2 4.03Å; K520-T568 HydrophobicContact CG-CG2 3.98Å |
| 521 | Q | 82.7 | Confident | 77.9 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 175.5 | -77.3 | -173.3 | -41 | 0 | 0 | 111.9 | S480 A483 N484 C517 I518 L519 R524 N525 | S480-Q521 PolarHBondContact OG-OE1 3.14Å; A483-Q521 HydrophobicContact CB-CB 4.12Å; N484-Q521 PolarHBondContact ND2-OE1 3.16Å; N484-Q521 PolarHBondContact OD1-NE2 2.9Å; C517-Q521 WeakPolarHBondContact O-CB 3.45Å; C517-Q521 VanDerWaalsContact O-CG 3.3Å; C517-Q521 WeakPolarHBondContact O-CG 3.09Å; C517-Q521 PolarHBondContact O-N 2.92Å; I518-Q521 WeakPolarHBondContact O-CB 3.38Å; I518-Q521 PolarHBondContact O-N 3.22Å; I518-Q521 VanDerWaalsContact O-N 3.14Å; L519-Q521 VanDerWaalsContact C-N 3.31Å; L519-Q521 PolarHBondContact O-N 2.93Å; Q521-R524 PolarHBondContact O-N 3.03Å; Q521-N525 PolarHBondContact O-N 2.75Å |
| 522 | V | 80.9 | Confident | 79.2 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | 175.4 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | A483 L492 W498 I518 L519 R524 N525 C528 L532 | A483-V522 HydrophobicContact CB-CG2 3.99Å; L492-V522 HydrophobicContact CB-CG2 4.05Å; L492-V522 HydrophobicContact CD1-CG2 3.81Å; W498-V522 HydrophobicContact CZ2-CB 4.49Å; W498-V522 HydrophobicContact CZ2-CG1 4.19Å; I518-V522 WeakPolarHBondContact O-CG2 3.3Å; I518-V522 PolarHBondContact O-N 3.33Å; L519-V522 PolarHBondContact O-N 3.4Å; V522-R524 VanDerWaalsContact C-N 3.27Å; V522-R524 PolarHBondContact O-N 3.31Å; V522-N525 WeakPolarHBondContact O-CB 3.28Å; V522-N525 PolarHBondContact O-N 2.91Å; V522-N525 VanDerWaalsContact O-N 3.07Å; V522-C528 HydrophobicContact CG1-CB 4.47Å; V522-L532 HydrophobicContact CG1-CD1 4.43Å; V522-L532 HydrophobicContact CG1-CD2 4.08Å |
| 523 | L | 84 | Confident | 79.9 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -31.5 | 178.5 | -66.9 | 168.6 | 0 | 0 | 0 | 113.3 | W498 L519 N525 L532 V537 I541 L565 T568 L569 | W498-L523 HydrophobicContact CH2-CD1 4.03Å; W498-L523 HydrophobicContact CH2-CD2 3.71Å; W498-L523 HydrophobicContact CH2-CG 3.75Å; W498-L523 HydrophobicContact CZ2-CD2 4.08Å; W498-L523 HydrophobicContact CZ2-CG 4.27Å; L519-L523 VanDerWaalsContact O-CG 3.27Å; L519-L523 WeakPolarHBondContact O-CG 3.47Å; L519-L523 PolarHBondContact O-N 2.81Å; L523-N525 VanDerWaalsContact C-N 3.35Å; L523-L532 HydrophobicContact CD2-CD1 4.21Å; L523-V537 HydrophobicContact CD2-CG1 4.28Å; L523-I541 HydrophobicContact CD1-CD1 4.38Å; L523-I541 HydrophobicContact CD2-CD1 4.37Å; L523-L565 HydrophobicContact CD1-CB 3.98Å; L523-L565 HydrophobicContact CD1-CD2 3.69Å; L523-L565 HydrophobicContact CD1-CG 4.43Å; L523-L565 WeakPolarHBondContact CD1-O 3.28Å; L523-T568 HydrophobicContact CB-CG2 4.32Å; L523-L569 HydrophobicContact CB-CD1 4.44Å; L523-L569 HydrophobicContact CD2-CB 4.33Å; L523-L569 HydrophobicContact CD2-CD1 4.12Å; L523-L569 HydrophobicContact CD2-CD2 4.23Å; L523-L569 HydrophobicContact CD2-CG 4.46Å |
| 524 | R | 81 | Confident | 80.3 | Confident | 163 Ų | 163 | 40.9 Ų | 40.9 | 62% | 0.615 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -78.8 | -14 | 176.2 | -73.3 | 171.2 | -177.2 | -169.4 | -0.1 | 113.8 | K520 Q521 V522 R526 T568 | K520-R524 WeakPolarHBondContact O-CB 3.45Å; K520-R524 WeakPolarHBondContact O-CD 3.43Å; K520-R524 WeakPolarHBondContact O-CG 3.13Å; K520-R524 PolarHBondContact O-N 2.9Å; K520-R524 VanDerWaalsContact O-N 3.08Å; Q521-R524 PolarHBondContact O-N 3.03Å; V522-R524 VanDerWaalsContact C-N 3.27Å; V522-R524 PolarHBondContact O-N 3.31Å; R524-R526 PolarHBondContact O-N 3.44Å; R524-T568 HydrophobicContact CG-CG2 3.71Å |
| 525 | N | 77.9 | Confident | 80.6 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.08 | 19% | 0.189 | C | C | . | . | trans | -79.6 | 110.9 | -176.8 | -164.8 | -41.7 | 0 | 0 | 0 | 110.5 | D486 S489 Q521 V522 L523 N527 C528 | D486-N525 PolarHBondContact OD1-ND2 2.75Å; S489-N525 PolarHBondContact OG-ND2 2.95Å; Q521-N525 PolarHBondContact O-N 2.75Å; V522-N525 WeakPolarHBondContact O-CB 3.28Å; V522-N525 PolarHBondContact O-N 2.91Å; V522-N525 VanDerWaalsContact O-N 3.07Å; L523-N525 VanDerWaalsContact C-N 3.35Å; N525-N527 PolarHBondContact O-N 3.07Å; N525-N527 VanDerWaalsContact O-N 3.13Å; N525-N527 WeakPolarHBondContact OD1-CB 3.44Å; N525-N527 PolarHBondContact OD1-N 3.16Å; N525-N527 PolarHBondContact OD1-ND2 2.8Å; N525-C528 HydrophobicContact CB-CB 4.21Å; N525-C528 WeakPolarHBondContact O-CB 3.35Å; N525-C528 PolarHBondContact O-N 3.12Å | ||
| 526 | R | 77.6 | Confident | 80.6 | Confident | 129 Ų | 129 | 40.3 Ų | 40.3 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -57.3 | -30.5 | -178.6 | -67.6 | -175.5 | -179.9 | -178.7 | -2.5 | 112.8 | R524 C528 V529 D573 Y578 | R524-R526 PolarHBondContact O-N 3.44Å; R526-C528 PolarHBondContact O-N 3.29Å; R526-V529 PolarHBondContact O-N 3.34Å; R526-D573 IonicContact NH2-OD2 2.61Å; R526-D573 PolarHBondContact NH2-OD2 3.39Å; R526-Y578 HydrophobicContact CB-CD1 4.23Å; R526-Y578 HydrophobicContact CB-CE1 3.76Å; R526-Y578 HydrophobicContact CG-CD1 3.99Å; R526-Y578 HydrophobicContact CG-CE1 4.04Å; R526-Y578 PolarHBondContact O-OH 3.44Å |
| 527 | N | 75.8 | Confident | 80.6 | Confident | 106 Ų | 106 | 39.6 Ų | 39.6 | 57% | 0.567 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -70.5 | -16.3 | 177.1 | -53.8 | -53.6 | 0 | 0 | 0 | 113.4 | N525 | N525-N527 PolarHBondContact O-N 3.07Å; N525-N527 VanDerWaalsContact O-N 3.13Å; N525-N527 WeakPolarHBondContact OD1-CB 3.44Å; N525-N527 PolarHBondContact OD1-N 3.16Å; N525-N527 PolarHBondContact OD1-ND2 2.8Å |
| 528 | C | 79.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -93 | -20.5 | 179.6 | -66 | 0 | 0 | 0 | 0 | 113.1 | S489 C493 V522 N525 R526 E530 L531 L532 | S489-C528 PolarHBondContact OG-SG 3.17Å; S489-C528 VanDerWaalsContact OG-SG 3.37Å; C493-C528 VanDerWaalsContact SG-CB 3.55Å; C493-C528 PolarHBondContact SG-SG 3.39Å; V522-C528 HydrophobicContact CG1-CB 4.47Å; N525-C528 HydrophobicContact CB-CB 4.21Å; N525-C528 WeakPolarHBondContact O-CB 3.35Å; N525-C528 PolarHBondContact O-N 3.12Å; R526-C528 PolarHBondContact O-N 3.29Å; C528-E530 PolarHBondContact O-N 2.97Å; C528-L531 WeakPolarHBondContact O-CB 3.13Å; C528-L531 PolarHBondContact O-N 2.69Å; C528-L532 HydrophobicContact CB-CD1 3.74Å; C528-L532 HydrophobicContact CB-CG 4.15Å; C528-L532 VanDerWaalsContact O-CG 3.28Å; C528-L532 WeakPolarHBondContact O-CG 3.46Å; C528-L532 PolarHBondContact O-N 3.06Å |
| 529 | V | 81.6 | Confident | 80.3 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.1 | -45.2 | -167.2 | 172.8 | 0 | 0 | 0 | 0 | 113.4 | R526 L531 L532 I533 Y578 V579 T582 | R526-V529 PolarHBondContact O-N 3.34Å; V529-L531 PolarHBondContact O-N 2.82Å; V529-L532 PolarHBondContact O-N 2.99Å; V529-I533 HydrophobicContact CG1-CD1 4.05Å; V529-I533 WeakPolarHBondContact O-CG1 3.41Å; V529-I533 PolarHBondContact O-N 2.9Å; V529-I533 VanDerWaalsContact O-N 3.12Å; V529-Y578 HydrophobicContact CB-CE1 4.04Å; V529-Y578 HydrophobicContact CG1-CE1 4.36Å; V529-Y578 HydrophobicContact CG2-CD1 4.3Å; V529-Y578 HydrophobicContact CG2-CE1 3.99Å; V529-V579 HydrophobicContact CG1-CB 4.24Å; V529-V579 HydrophobicContact CG1-CG1 3.96Å; V529-V579 HydrophobicContact CG1-CG2 4.03Å; V529-V579 HydrophobicContact CG2-CG2 4.11Å; V529-T582 HydrophobicContact CG1-CG2 4.19Å |
| 530 | E | 81.3 | Confident | 79.8 | Confident | 60 Ų | 60 | 37.5 Ų | 37.5 | 28% | 0.28 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.1 | -70.3 | -176 | -156 | 0 | 0 | 111.4 | C528 L532 I533 E534 T582 R585 M586 | C528-E530 PolarHBondContact O-N 2.97Å; E530-L532 PolarHBondContact O-N 3.07Å; E530-I533 PolarHBondContact O-N 3.48Å; E530-E534 WeakPolarHBondContact O-CB 3.41Å; E530-E534 WeakPolarHBondContact O-CG 3.49Å; E530-E534 PolarHBondContact O-N 3.37Å; E530-T582 HydrophobicContact CG-CG2 3.4Å; E530-T582 VanDerWaalsContact CG-CG2 3.4Å; E530-R585 IonicContact OE1-CZ 3.91Å; E530-R585 VanDerWaalsContact OE1-CZ 3.32Å; E530-R585 IonicContact OE1-NH1 2.75Å; E530-R585 PolarHBondContact OE1-NH1 2.9Å; E530-R585 IonicContact OE1-NH2 3.86Å; E530-R585 PolarHBondContact OE1-NH2 3.45Å; E530-R585 IonicContact OE2-CZ 2.65Å; E530-R585 IonicContact OE2-NH1 2.78Å; E530-R585 IonicContact OE2-NH2 3Å; E530-R585 PolarHBondContact OE2-NH2 3.39Å; E530-M586 HydrophobicContact CB-CE 3.72Å; E530-M586 HydrophobicContact CG-CE 4.02Å |
| 531 | L | 80.3 | Confident | 79.6 | Confident | 58 Ų | 58 | 35.6 Ų | 35.6 | 30% | 0.304 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.6 | -35.8 | 176.3 | -71.9 | 165.7 | 0 | 0 | 0 | 112.7 | H490 C493 C528 V529 I533 E534 N535 | H490-L531 HydrophobicContact CB-CD1 3.76Å; C493-L531 HydrophobicContact CB-CB 3.87Å; C528-L531 WeakPolarHBondContact O-CB 3.13Å; C528-L531 PolarHBondContact O-N 2.69Å; V529-L531 PolarHBondContact O-N 2.82Å; L531-I533 VanDerWaalsContact C-N 3.33Å; L531-E534 PolarHBondContact O-N 3.15Å; L531-N535 WeakPolarHBondContact O-CB 3.48Å; L531-N535 PolarHBondContact O-N 3.44Å; L531-N535 PolarHBondContact O-ND2 2.92Å |
| 532 | L | 84.2 | Confident | 79.3 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68 | -34.9 | 179.1 | -67.7 | 165.1 | 0 | 0 | 0 | 111.6 | C493 W498 V522 L523 C528 V529 E530 G536 V537 | C493-L532 HydrophobicContact CB-CD2 4.22Å; W498-L532 HydrophobicContact CZ2-CD2 3.81Å; V522-L532 HydrophobicContact CG1-CD1 4.43Å; V522-L532 HydrophobicContact CG1-CD2 4.08Å; L523-L532 HydrophobicContact CD2-CD1 4.21Å; C528-L532 HydrophobicContact CB-CD1 3.74Å; C528-L532 HydrophobicContact CB-CG 4.15Å; C528-L532 VanDerWaalsContact O-CG 3.28Å; C528-L532 WeakPolarHBondContact O-CG 3.46Å; C528-L532 PolarHBondContact O-N 3.06Å; V529-L532 PolarHBondContact O-N 2.99Å; E530-L532 PolarHBondContact O-N 3.07Å; L532-G536 PolarHBondContact O-N 3.14Å; L532-V537 HydrophobicContact CB-CB 4.42Å; L532-V537 HydrophobicContact CB-CG2 4.45Å; L532-V537 HydrophobicContact CD2-CB 4.3Å; L532-V537 HydrophobicContact CD2-CG1 4.27Å; L532-V537 HydrophobicContact CD2-CG2 3.87Å; L532-V537 WeakPolarHBondContact O-CB 3.35Å; L532-V537 WeakPolarHBondContact O-CG2 3.48Å; L532-V537 PolarHBondContact O-N 2.86Å |
| 533 | I | 81.6 | Confident | 78.8 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.5 | -45.9 | 171.8 | -62.8 | 164.7 | 0 | 0 | 0 | 110 | V529 E530 L531 N535 G536 T582 A583 M586 L597 A598 | V529-I533 HydrophobicContact CG1-CD1 4.05Å; V529-I533 WeakPolarHBondContact O-CG1 3.41Å; V529-I533 PolarHBondContact O-N 2.9Å; V529-I533 VanDerWaalsContact O-N 3.12Å; E530-I533 PolarHBondContact O-N 3.48Å; L531-I533 VanDerWaalsContact C-N 3.33Å; I533-N535 PolarHBondContact O-N 3.11Å; I533-G536 PolarHBondContact O-N 2.92Å; I533-G536 VanDerWaalsContact O-N 3.11Å; I533-T582 HydrophobicContact CD1-CG2 4.21Å; I533-A583 HydrophobicContact CD1-CB 4.1Å; I533-M586 HydrophobicContact CB-SD 4.09Å; I533-M586 HydrophobicContact CD1-SD 4.33Å; I533-M586 HydrophobicContact CG2-SD 3.87Å; I533-L597 WeakPolarHBondContact O-CB 3.48Å; I533-A598 HydrophobicContact CG2-CB 4.16Å |
| 534 | E | 79.5 | Confident | 78.1 | Confident | 67 Ų | 67 | 36.8 Ų | 36.8 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.7 | -23.6 | 177.9 | -79.8 | 177.3 | 169.1 | 0 | 0 | 115.1 | E530 L531 M586 Q594 L597 | E530-E534 WeakPolarHBondContact O-CB 3.41Å; E530-E534 WeakPolarHBondContact O-CG 3.49Å; E530-E534 PolarHBondContact O-N 3.37Å; L531-E534 PolarHBondContact O-N 3.15Å; E534-M586 HydrophobicContact CG-CE 3.69Å; E534-M586 WeakPolarHBondContact OE1-CE 3.37Å; E534-Q594 HydrophobicContact CG-CG 4.13Å; E534-Q594 PolarHBondContact OE1-NE2 3.23Å; E534-L597 WeakPolarHBondContact O-CD1 3.03Å |
| 535 | N | 76.4 | Confident | 77.8 | Confident | 37 Ų | 37 | 29 Ų | 29 | 20% | 0.198 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 12.4 | 177.1 | -69.7 | -91.4 | 0 | 0 | 0 | 112.8 | C493 S494 T495 L531 I533 V537 | C493-N535 WeakPolarHBondContact O-CB 3.27Å; S494-N535 WeakPolarHBondContact CA-OD1 3.5Å; T495-N535 PolarHBondContact N-OD1 2.76Å; T495-N535 PolarHBondContact OG1-OD1 2.9Å; L531-N535 WeakPolarHBondContact O-CB 3.48Å; L531-N535 PolarHBondContact O-N 3.44Å; L531-N535 PolarHBondContact O-ND2 2.92Å; I533-N535 PolarHBondContact O-N 3.11Å; N535-V537 VanDerWaalsContact C-N 3.32Å; N535-V537 HydrophobicContact CB-CG2 4.39Å; N535-V537 PolarHBondContact O-N 2.9Å |
| 536 | G | 76 | Confident | 77.6 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 6% | 0.062 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 22.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L532 I533 C538 S539 L540 | L532-G536 PolarHBondContact O-N 3.14Å; I533-G536 PolarHBondContact O-N 2.92Å; I533-G536 VanDerWaalsContact O-N 3.11Å; G536-C538 PolarHBondContact O-N 3.31Å; G536-S539 PolarHBondContact O-N 3.04Å; G536-S539 PolarHBondContact O-OG 3.13Å; G536-L540 PolarHBondContact O-N 3.31Å |
| 537 | V | 81.6 | Confident | 77 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60 | -26.6 | -166.3 | 171.1 | 0 | 0 | 0 | 0 | 113.8 | W498 L523 L532 N535 L540 I541 | W498-V537 HydrophobicContact CD2-CB 4.41Å; W498-V537 HydrophobicContact CD2-CG1 3.55Å; W498-V537 HydrophobicContact CD2-CG2 3.95Å; W498-V537 HydrophobicContact CE3-CG1 3.52Å; W498-V537 HydrophobicContact CG-CG1 4.27Å; W498-V537 HydrophobicContact CG-CG2 3.81Å; W498-V537 HydrophobicContact CH2-CG1 3.79Å; W498-V537 HydrophobicContact CZ2-CG1 3.83Å; W498-V537 HydrophobicContact CZ3-CG1 3.63Å; L523-V537 HydrophobicContact CD2-CG1 4.28Å; L532-V537 HydrophobicContact CB-CB 4.42Å; L532-V537 HydrophobicContact CB-CG2 4.45Å; L532-V537 HydrophobicContact CD2-CB 4.3Å; L532-V537 HydrophobicContact CD2-CG1 4.27Å; L532-V537 HydrophobicContact CD2-CG2 3.87Å; L532-V537 WeakPolarHBondContact O-CB 3.35Å; L532-V537 WeakPolarHBondContact O-CG2 3.48Å; L532-V537 PolarHBondContact O-N 2.86Å; N535-V537 VanDerWaalsContact C-N 3.32Å; N535-V537 HydrophobicContact CB-CG2 4.39Å; N535-V537 PolarHBondContact O-N 2.9Å; V537-L540 PolarHBondContact O-N 3.46Å; V537-I541 HydrophobicContact CG1-CD1 3.72Å; V537-I541 HydrophobicContact CG1-CG1 4.18Å; V537-I541 VanDerWaalsContact O-CG1 3.28Å; V537-I541 WeakPolarHBondContact O-CG1 3.32Å; V537-I541 PolarHBondContact O-N 2.94Å |
| 538 | C | 79.9 | Confident | 76.1 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | G536 F542 F604 | G536-C538 PolarHBondContact O-N 3.31Å; C538-F542 PolarHBondContact O-N 3.01Å; C538-F542 VanDerWaalsContact O-N 3.15Å; C538-F604 HydrophobicContact CB-CB 4.36Å; C538-F604 HydrophobicContact CB-CD2 3.79Å; C538-F604 HydrophobicContact CB-CE2 4.47Å; C538-F604 HydrophobicContact CB-CG 4.24Å |
| 539 | S | 74.4 | Confident | 74.9 | Confident | 9 Ų | 9 | 23.7 Ų | 23.7 | 6% | 0.063 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.6 | -34.7 | 178 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | G536 F542 K543 D638 | G536-S539 PolarHBondContact O-N 3.04Å; G536-S539 PolarHBondContact O-OG 3.13Å; S539-F542 PolarHBondContact O-N 2.97Å; S539-K543 WeakPolarHBondContact O-CB 3.48Å; S539-K543 PolarHBondContact O-N 3.2Å; S539-D638 VanDerWaalsContact CB-OD1 3.24Å; S539-D638 WeakPolarHBondContact CB-OD1 3.35Å; S539-D638 WeakPolarHBondContact CB-OD2 3.49Å; S539-D638 VanDerWaalsContact OG-CG 3.29Å; S539-D638 PolarHBondContact OG-OD1 3.17Å; S539-D638 PolarHBondContact OG-OD2 3.23Å |
| 540 | L | 75 | Confident | 73.8 | Confident | 16 Ų | 16 | 26.7 Ų | 26.7 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 172.4 | -58.8 | -175.6 | 0 | 0 | 0 | 112.2 | T495 W498 H499 L502 G536 V537 F542 K543 Y544 | T495-L540 HydrophobicContact CG2-CD1 4.05Å; W498-L540 HydrophobicContact CB-CD1 3.74Å; H499-L540 VanDerWaalsContact CE1-CD2 3.44Å; H499-L540 WeakPolarHBondContact CE1-CD2 3.44Å; L502-L540 HydrophobicContact CD1-CB 3.75Å; G536-L540 PolarHBondContact O-N 3.31Å; V537-L540 PolarHBondContact O-N 3.46Å; L540-F542 PolarHBondContact O-N 3.03Å; L540-K543 PolarHBondContact O-N 3.38Å; L540-Y544 WeakPolarHBondContact O-CB 3.4Å; L540-Y544 WeakPolarHBondContact O-CD2 3.46Å; L540-Y544 PolarHBondContact O-N 3.15Å |
| 541 | I | 80.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 177.3 | -68.8 | 163.4 | 0 | 0 | 0 | 110.2 | W498 L523 V537 L545 L565 I566 | W498-I541 HydrophobicContact CE3-CD1 4.48Å; W498-I541 HydrophobicContact CE3-CG1 4.2Å; W498-I541 HydrophobicContact CH2-CD1 4.33Å; W498-I541 HydrophobicContact CZ3-CD1 3.76Å; W498-I541 HydrophobicContact CZ3-CG1 3.83Å; L523-I541 HydrophobicContact CD1-CD1 4.38Å; L523-I541 HydrophobicContact CD2-CD1 4.37Å; V537-I541 HydrophobicContact CG1-CD1 3.72Å; V537-I541 HydrophobicContact CG1-CG1 4.18Å; V537-I541 VanDerWaalsContact O-CG1 3.28Å; V537-I541 WeakPolarHBondContact O-CG1 3.32Å; V537-I541 PolarHBondContact O-N 2.94Å; I541-L545 WeakPolarHBondContact O-CB 3.46Å; I541-L545 PolarHBondContact O-N 3.47Å; I541-L545 VanDerWaalsContact O-N 3.1Å; I541-L565 HydrophobicContact CD1-CB 4.21Å; I541-L565 HydrophobicContact CG2-CB 4.16Å; I541-L565 HydrophobicContact CG2-CD1 4.5Å; I541-I566 HydrophobicContact CG2-CD1 4.25Å; I541-I566 HydrophobicContact CG2-CG1 3.87Å |
| 542 | F | 76.6 | Confident | 72 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -56.1 | 177.2 | -168.5 | -83.5 | 0 | 0 | 0 | 112 | C538 S539 L540 Y544 I546 F604 T641 V645 F817 | C538-F542 PolarHBondContact O-N 3.01Å; C538-F542 VanDerWaalsContact O-N 3.15Å; S539-F542 PolarHBondContact O-N 2.97Å; L540-F542 PolarHBondContact O-N 3.03Å; F542-Y544 VanDerWaalsContact C-N 3.31Å; F542-Y544 PolarHBondContact O-N 3.41Å; F542-I546 HydrophobicContact CD2-CB 3.83Å; F542-I546 HydrophobicContact CD2-CD1 3.86Å; F542-I546 HydrophobicContact CD2-CG1 4.4Å; F542-I546 HydrophobicContact CD2-CG2 3.78Å; F542-I546 HydrophobicContact CE2-CB 4.01Å; F542-I546 HydrophobicContact CE2-CG2 3.47Å; F542-I546 VanDerWaalsContact CE2-CG2 3.47Å; F542-I546 HydrophobicContact CG-CB 4.22Å; F542-I546 HydrophobicContact CZ-CG2 4Å; F542-I546 PolarHBondContact O-N 3.1Å; F542-F604 HydrophobicContact CB-CE1 4.01Å; F542-F604 HydrophobicContact CB-CZ 4.14Å; F542-F604 HydrophobicContact CD2-CD1 4.3Å; F542-F604 AromaticContact CD2-CE1 3.43Å; F542-F604 HydrophobicContact CD2-CE1 3.43Å; F542-F604 VanDerWaalsContact CD2-CE1 3.43Å; F542-F604 HydrophobicContact CD2-CZ 4.17Å; F542-F604 HydrophobicContact CE2-CE1 4.14Å; F542-F604 AromaticContact CG-CE1 3.84Å; F542-F604 HydrophobicContact CG-CE1 3.84Å; F542-F604 HydrophobicContact CG-CZ 4.14Å; F542-T641 HydrophobicContact CD1-CG2 3.52Å; F542-T641 HydrophobicContact CE1-CG2 3.61Å; F542-T641 HydrophobicContact CG-CG2 4.19Å; F542-T641 HydrophobicContact CZ-CG2 4.31Å; F542-V645 HydrophobicContact CE2-CG2 4.04Å; F542-V645 HydrophobicContact CZ-CG2 4.32Å; F542-F817 HydrophobicContact CE1-CD1 4.03Å; F542-F817 AromaticContact CE1-CE1 3.5Å; F542-F817 HydrophobicContact CE1-CE1 3.5Å; F542-F817 VanDerWaalsContact CE1-CE1 3.5Å; F542-F817 HydrophobicContact CE1-CZ 4.46Å; F542-F817 HydrophobicContact CZ-CD1 4.05Å; F542-F817 AromaticContact CZ-CE1 3.36Å; F542-F817 HydrophobicContact CZ-CE1 3.36Å; F542-F817 AromaticContact CZ-CZ 3.96Å; F542-F817 HydrophobicContact CZ-CZ 3.96Å |
| 543 | K | 70.8 | Confident | 71 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 27% | 0.265 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.9 | -37.9 | -176.4 | 178.6 | 165.8 | 172.7 | 163.6 | 0 | 113.6 | S539 L540 E634 | S539-K543 WeakPolarHBondContact O-CB 3.48Å; S539-K543 PolarHBondContact O-N 3.2Å; L540-K543 PolarHBondContact O-N 3.38Å; K543-E634 IonicContact NZ-OE1 3.23Å; K543-E634 PolarHBondContact NZ-OE1 3.17Å |
| 544 | Y | 69.1 | Low | 70.2 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -92.7 | -31.3 | -176.6 | -80.6 | -98.9 | 0 | 0 | 0 | 115 | L454 H499 L502 L540 F542 | L454-Y544 HydrophobicContact CD2-CD1 3.88Å; L454-Y544 HydrophobicContact CD2-CE1 3.41Å; L454-Y544 VanDerWaalsContact CD2-CE1 3.41Å; H499-Y544 AromaticContact CD2-CZ 3.66Å; H499-Y544 PolarHBondContact CD2-OH 3.43Å; H499-Y544 AromaticContact NE2-CE2 3.82Å; H499-Y544 AromaticContact NE2-CZ 3.83Å; H499-Y544 PolarHBondContact NE2-OH 3.09Å; H499-Y544 VanDerWaalsContact NE2-OH 3.13Å; L502-Y544 HydrophobicContact CB-CD1 3.87Å; L502-Y544 HydrophobicContact CB-CD2 4.47Å; L502-Y544 HydrophobicContact CB-CG 3.76Å; L502-Y544 HydrophobicContact CD1-CD2 4.19Å; L502-Y544 HydrophobicContact CD1-CG 4.2Å; L540-Y544 WeakPolarHBondContact O-CB 3.4Å; L540-Y544 WeakPolarHBondContact O-CD2 3.46Å; L540-Y544 PolarHBondContact O-N 3.15Å; F542-Y544 VanDerWaalsContact C-N 3.31Å; F542-Y544 PolarHBondContact O-N 3.41Å |
| 545 | L | 75.1 | Confident | 69.6 | Low | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -114.9 | -31.2 | -172 | -62.7 | 178 | 0 | 0 | 0 | 114 | L502 A505 V506 I541 L558 T559 L565 | L502-L545 HydrophobicContact CD2-CD1 3.56Å; L502-L545 HydrophobicContact CD2-CG 3.85Å; A505-L545 HydrophobicContact CB-CD2 4.25Å; V506-L545 HydrophobicContact CG2-CD2 4.28Å; I541-L545 WeakPolarHBondContact O-CB 3.46Å; I541-L545 PolarHBondContact O-N 3.47Å; I541-L545 VanDerWaalsContact O-N 3.1Å; L545-L558 HydrophobicContact CD2-CB 4.29Å; L545-L558 HydrophobicContact CD2-CD2 3.8Å; L545-L558 CarbonylContact O-C 3.53Å; L545-L558 VanDerWaalsContact O-C 3.31Å; L545-T559 WeakPolarHBondContact O-CA 3.37Å; L545-T559 PolarHBondContact O-N 2.94Å; L545-T559 VanDerWaalsContact O-N 3.12Å; L545-T559 PolarHBondContact O-OG1 3.34Å; L545-T559 VanDerWaalsContact O-OG1 3.09Å; L545-L565 HydrophobicContact CD1-CD1 3.78Å |
| 546 | I | 72.6 | Confident | 69.4 | Low | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | trans | -101.1 | 104.5 | -169.5 | -58 | 177.3 | 0 | 0 | 0 | 110.1 | F542 T559 Y563 I566 | F542-I546 HydrophobicContact CD2-CB 3.83Å; F542-I546 HydrophobicContact CD2-CD1 3.86Å; F542-I546 HydrophobicContact CD2-CG1 4.4Å; F542-I546 HydrophobicContact CD2-CG2 3.78Å; F542-I546 HydrophobicContact CE2-CB 4.01Å; F542-I546 HydrophobicContact CE2-CG2 3.47Å; F542-I546 VanDerWaalsContact CE2-CG2 3.47Å; F542-I546 HydrophobicContact CG-CB 4.22Å; F542-I546 HydrophobicContact CZ-CG2 4Å; F542-I546 PolarHBondContact O-N 3.1Å; I546-T559 HydrophobicContact CB-CG2 4.24Å; I546-T559 HydrophobicContact CG1-CG2 4.42Å; I546-T559 HydrophobicContact CG2-CG2 3.85Å; I546-Y563 HydrophobicContact CD1-CD1 3.87Å; I546-Y563 HydrophobicContact CD1-CE1 4.08Å; I546-Y563 HydrophobicContact CD1-CG 4.43Å; I546-Y563 HydrophobicContact CG2-CE1 3.88Å; I546-Y563 HydrophobicContact CG2-CE2 4.34Å; I546-I566 HydrophobicContact CD1-CD1 3.5Å; I546-I566 VanDerWaalsContact CD1-CD1 3.5Å; I546-I566 HydrophobicContact CD1-CG1 4.4Å | ||
| 547 | N | 65.2 | Low | 69.1 | Low | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -122.8 | 111.6 | 167.7 | -172.4 | -12.4 | 0 | 0 | 0 | 109.8 | C449 L450 R453 M549 H550 T559 | C449-N547 PolarHBondContact SG-ND2 3.22Å; L450-N547 HydrophobicContact CD1-CB 4.03Å; L450-N547 HydrophobicContact CD2-CB 3.79Å; L450-N547 HydrophobicContact CG-CB 3.7Å; R453-N547 PolarHBondContact NH1-ND2 3.41Å; N547-M549 PolarHBondContact O-N 3.3Å; N547-M549 VanDerWaalsContact O-N 3.11Å; N547-M549 PolarHBondContact OD1-N 2.83Å; N547-M549 VanDerWaalsContact OD1-N 3.12Å; N547-H550 PolarHBondContact O-CE1 2.79Å; N547-H550 PolarHBondContact O-ND1 3.03Å; N547-T559 PolarHBondContact N-OG1 3.12Å; N547-T559 VanDerWaalsContact N-OG1 3.09Å; N547-T559 PolarHBondContact O-OG1 3.33Å | ||
| 548 | P | 57.2 | Low | 68.8 | Low | 31 Ų | 31 | 37.9 Ų | 37.9 | 20% | 0.201 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -66.9 | -11.3 | -177.1 | 28.2 | -35.2 | 0 | 0 | 0 | 113.9 | H550 F817 | P548-H550 PolarHBondContact O-N 3.28Å; P548-F817 HydrophobicContact CG-CB 3.71Å; P548-F817 HydrophobicContact CG-CD1 4.27Å; P548-F817 HydrophobicContact CG-CD2 3.78Å; P548-F817 HydrophobicContact CG-CG 3.64Å |
| 549 | M | 54.4 | Low | 68.6 | Low | 96 Ų | 96 | 37.8 Ų | 37.8 | 47% | 0.473 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -96.9 | 82.9 | 173.8 | -62.6 | -61.3 | -68.5 | 0 | 0 | 110.2 | C449 N547 Q551 L818 | C449-M549 PolarHBondContact SG-O 2.68Å; N547-M549 PolarHBondContact O-N 3.3Å; N547-M549 VanDerWaalsContact O-N 3.11Å; N547-M549 PolarHBondContact OD1-N 2.83Å; N547-M549 VanDerWaalsContact OD1-N 3.12Å; M549-Q551 PolarHBondContact O-N 2.91Å; M549-L818 HydrophobicContact CE-CD2 4.25Å; M549-L818 HydrophobicContact CG-CD2 3.84Å |
| 550 | H | 58.9 | Low | 68.9 | Low | 66 Ų | 66 | 40.5 Ų | 40.5 | 31% | 0.306 | 21% | 0.208 | S | C | . | . | trans | -74.3 | 117.8 | 179.2 | -53.2 | -35 | 0 | 0 | 0 | 111.6 | N547 P548 F556 T559 | N547-H550 PolarHBondContact O-CE1 2.79Å; N547-H550 PolarHBondContact O-ND1 3.03Å; P548-H550 PolarHBondContact O-N 3.28Å; H550-F556 HydrophobicContact CB-CB 4.38Å; H550-F556 AromaticContact CD2-CD2 3.59Å; H550-F556 AromaticContact NE2-CD2 3.8Å; H550-T559 VanDerWaalsContact CE1-CB 3.45Å; H550-T559 WeakPolarHBondContact CE1-CB 3.38Å; H550-T559 VanDerWaalsContact CE1-CG2 3.5Å; H550-T559 WeakPolarHBondContact CE1-CG2 3.44Å; H550-T559 PolarHBondContact CE1-OG1 3.38Å | ||
| 551 | Q | 59.6 | Low | 69.2 | Low | 125 Ų | 125 | 40.1 Ų | 40.1 | 58% | 0.584 | 21% | 0.207 | S | C | * | . | trans | -105.2 | -17.6 | 177.7 | -69 | 176.6 | -25.1 | 0 | 0 | 113.6 | C449 M549 | C449-Q551 VanDerWaalsContact CB-OE1 3.3Å; M549-Q551 PolarHBondContact O-N 2.91Å | ||
| 552 | C | 62.4 | Low | 69.2 | Low | 58 Ų | 58 | 40.1 Ų | 40.1 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -151.2 | 167.8 | 169.2 | 80.6 | 0 | 0 | 0 | 0 | 112 | N554 C555 F556 | C552-N554 PolarHBondContact O-N 3.23Å; C552-N554 VanDerWaalsContact O-N 3.11Å; C552-C555 PolarHBondContact O-N 3.34Å; C552-C555 VanDerWaalsContact O-N 3.07Å; C552-C555 PolarHBondContact SG-SG 3.13Å; C552-F556 PolarHBondContact O-N 2.87Å; C552-F556 VanDerWaalsContact O-N 3.12Å |
| 553 | D | 64.4 | Low | 69.4 | Low | 129 Ų | 129 | 40.7 Ų | 40.7 | 69% | 0.69 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -53 | -33.1 | 179.7 | -60.4 | -35.1 | 0 | 0 | 0 | 113.2 | F556 A557 | D553-F556 PolarHBondContact O-N 2.96Å; D553-A557 WeakPolarHBondContact O-CB 3.43Å; D553-A557 PolarHBondContact O-N 3.03Å |
| 554 | N | 65.4 | Low | 69.9 | Low | 33 Ų | 33 | 41 Ų | 41 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72 | -43.3 | -179.9 | -137.9 | -26 | 0 | 0 | 0 | 111.5 | H509 C552 F556 A557 L558 | H509-N554 PolarHBondContact O-ND2 3.25Å; H509-N554 PolarHBondContact O-OD1 2.61Å; H509-N554 VanDerWaalsContact O-OD1 3.08Å; C552-N554 PolarHBondContact O-N 3.23Å; C552-N554 VanDerWaalsContact O-N 3.11Å; N554-F556 PolarHBondContact O-N 3.39Å; N554-A557 PolarHBondContact O-N 3.4Å; N554-L558 WeakPolarHBondContact O-CG 3.48Å; N554-L558 PolarHBondContact O-N 3.15Å |
| 555 | C | 66.4 | Low | 70.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -33.1 | 174.3 | -33 | 0 | 0 | 0 | 0 | 111.1 | C448 L450 C552 T559 | C448-C555 WeakPolarHBondContact CB-SG 3.45Å; C448-C555 WeakPolarHBondContact SG-CB 3.28Å; C448-C555 CovalentContact SG-SG 2.06Å; C448-C555 PolarHBondContact SG-SG 3.48Å; L450-C555 HydrophobicContact CD1-CB 4.21Å; C552-C555 PolarHBondContact O-N 3.34Å; C552-C555 VanDerWaalsContact O-N 3.07Å; C552-C555 PolarHBondContact SG-SG 3.13Å; C555-T559 WeakPolarHBondContact O-CB 3.39Å; C555-T559 PolarHBondContact O-N 2.99Å; C555-T559 PolarHBondContact O-OG1 3.21Å |
| 556 | F | 70.9 | Confident | 70.9 | Confident | 110 Ų | 110 | 40.3 Ų | 40.3 | 48% | 0.482 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.6 | -44.2 | 173.4 | 173.4 | -99.6 | 0 | 0 | 0 | 113.1 | H550 C552 D553 N554 T559 T560 | H550-F556 HydrophobicContact CB-CB 4.38Å; H550-F556 AromaticContact CD2-CD2 3.59Å; H550-F556 AromaticContact NE2-CD2 3.8Å; C552-F556 PolarHBondContact O-N 2.87Å; C552-F556 VanDerWaalsContact O-N 3.12Å; D553-F556 PolarHBondContact O-N 2.96Å; N554-F556 PolarHBondContact O-N 3.39Å; F556-T559 PolarHBondContact O-N 3.21Å; F556-T560 WeakPolarHBondContact O-CB 3.21Å; F556-T560 PolarHBondContact O-N 3Å; F556-T560 PolarHBondContact O-OG1 3.11Å |
| 557 | A | 70.8 | Confident | 71.2 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y510 D553 N554 T560 A561 | Y510-A557 HydrophobicContact CE1-CB 4.09Å; D553-A557 WeakPolarHBondContact O-CB 3.43Å; D553-A557 PolarHBondContact O-N 3.03Å; N554-A557 PolarHBondContact O-N 3.4Å; A557-T560 PolarHBondContact O-N 3.23Å; A557-A561 PolarHBondContact O-N 2.93Å |
| 558 | L | 74.8 | Confident | 71.9 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 173 | -68.9 | 168.6 | 0 | 0 | 0 | 111.4 | L450 A505 V506 L545 N554 T560 A561 G562 | L450-L558 HydrophobicContact CD1-CB 4.15Å; L450-L558 HydrophobicContact CD1-CD1 4.21Å; A505-L558 WeakPolarHBondContact O-CD2 3.22Å; V506-L558 HydrophobicContact CG1-CD1 4.49Å; V506-L558 HydrophobicContact CG2-CD1 4.24Å; V506-L558 HydrophobicContact CG2-CD2 4.38Å; L545-L558 HydrophobicContact CD2-CB 4.29Å; L545-L558 HydrophobicContact CD2-CD2 3.8Å; L545-L558 CarbonylContact O-C 3.53Å; L545-L558 VanDerWaalsContact O-C 3.31Å; N554-L558 WeakPolarHBondContact O-CG 3.48Å; N554-L558 PolarHBondContact O-N 3.15Å; L558-T560 PolarHBondContact O-N 2.79Å; L558-A561 PolarHBondContact O-N 3.12Å; L558-G562 PolarHBondContact O-N 2.8Å |
| 559 | T | 76.8 | Confident | 72.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | 179.1 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | L545 I546 N547 H550 C555 F556 A561 G562 Y563 | L545-T559 WeakPolarHBondContact O-CA 3.37Å; L545-T559 PolarHBondContact O-N 2.94Å; L545-T559 VanDerWaalsContact O-N 3.12Å; L545-T559 PolarHBondContact O-OG1 3.34Å; L545-T559 VanDerWaalsContact O-OG1 3.09Å; I546-T559 HydrophobicContact CB-CG2 4.24Å; I546-T559 HydrophobicContact CG1-CG2 4.42Å; I546-T559 HydrophobicContact CG2-CG2 3.85Å; N547-T559 PolarHBondContact N-OG1 3.12Å; N547-T559 VanDerWaalsContact N-OG1 3.09Å; N547-T559 PolarHBondContact O-OG1 3.33Å; H550-T559 VanDerWaalsContact CE1-CB 3.45Å; H550-T559 WeakPolarHBondContact CE1-CB 3.38Å; H550-T559 VanDerWaalsContact CE1-CG2 3.5Å; H550-T559 WeakPolarHBondContact CE1-CG2 3.44Å; H550-T559 PolarHBondContact CE1-OG1 3.38Å; C555-T559 WeakPolarHBondContact O-CB 3.39Å; C555-T559 PolarHBondContact O-N 2.99Å; C555-T559 PolarHBondContact O-OG1 3.21Å; F556-T559 PolarHBondContact O-N 3.21Å; T559-A561 VanDerWaalsContact C-N 3.34Å; T559-A561 PolarHBondContact O-N 3.23Å; T559-G562 PolarHBondContact O-N 2.87Å; T559-Y563 HydrophobicContact CG2-CD2 3.72Å; T559-Y563 HydrophobicContact CG2-CE2 3.41Å; T559-Y563 VanDerWaalsContact CG2-CE2 3.41Å; T559-Y563 WeakPolarHBondContact O-CD2 3.39Å; T559-Y563 PolarHBondContact O-N 3.05Å |
| 560 | T | 80 | Confident | 73.6 | Confident | 66 Ų | 66 | 38.2 Ų | 38.2 | 41% | 0.405 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 173 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | F556 A557 L558 Y563 D564 | F556-T560 WeakPolarHBondContact O-CB 3.21Å; F556-T560 PolarHBondContact O-N 3Å; F556-T560 PolarHBondContact O-OG1 3.11Å; A557-T560 PolarHBondContact O-N 3.23Å; L558-T560 PolarHBondContact O-N 2.79Å; T560-Y563 PolarHBondContact O-N 3.18Å; T560-D564 VanDerWaalsContact O-CB 3.28Å; T560-D564 WeakPolarHBondContact O-CB 3.48Å; T560-D564 PolarHBondContact O-N 2.7Å |
| 561 | A | 80.8 | Confident | 74.1 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P511 I516 A557 L558 T559 D564 L565 | P511-A561 HydrophobicContact CB-CB 3.89Å; P511-A561 HydrophobicContact CG-CB 4.03Å; I516-A561 HydrophobicContact CD1-CB 4.03Å; A557-A561 PolarHBondContact O-N 2.93Å; L558-A561 PolarHBondContact O-N 3.12Å; T559-A561 VanDerWaalsContact C-N 3.34Å; T559-A561 PolarHBondContact O-N 3.23Å; A561-D564 PolarHBondContact O-N 3.06Å; A561-L565 VanDerWaalsContact O-CG 3.28Å; A561-L565 WeakPolarHBondContact O-CG 3.47Å; A561-L565 PolarHBondContact O-N 3.29Å |
| 562 | G | 81.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L558 T559 D564 L565 I566 | L558-G562 PolarHBondContact O-N 2.8Å; T559-G562 PolarHBondContact O-N 2.87Å; G562-D564 VanDerWaalsContact C-N 3.33Å; G562-D564 PolarHBondContact O-N 3.49Å; G562-L565 PolarHBondContact O-N 3.12Å; G562-I566 PolarHBondContact O-N 3.49Å |
| 563 | Y | 79.2 | Confident | 74.1 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 11% | 0.114 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 174.9 | -75.8 | -48.8 | 0 | 0 | 0 | 112.7 | I546 T559 T560 I566 A567 R652 W863 | I546-Y563 HydrophobicContact CD1-CD1 3.87Å; I546-Y563 HydrophobicContact CD1-CE1 4.08Å; I546-Y563 HydrophobicContact CD1-CG 4.43Å; I546-Y563 HydrophobicContact CG2-CE1 3.88Å; I546-Y563 HydrophobicContact CG2-CE2 4.34Å; T559-Y563 HydrophobicContact CG2-CD2 3.72Å; T559-Y563 HydrophobicContact CG2-CE2 3.41Å; T559-Y563 VanDerWaalsContact CG2-CE2 3.41Å; T559-Y563 WeakPolarHBondContact O-CD2 3.39Å; T559-Y563 PolarHBondContact O-N 3.05Å; T560-Y563 PolarHBondContact O-N 3.18Å; Y563-I566 PolarHBondContact O-N 3.26Å; Y563-A567 WeakPolarHBondContact O-CB 3.48Å; Y563-A567 PolarHBondContact O-N 3.1Å; Y563-R652 PolarHBondContact OH-NH2 3.04Å; Y563-R652 VanDerWaalsContact OH-NH2 3.16Å; Y563-W863 HydrophobicContact CD1-CH2 4.48Å; Y563-W863 HydrophobicContact CD1-CZ3 4.2Å; Y563-W863 HydrophobicContact CE1-CH2 4.24Å; Y563-W863 HydrophobicContact CE1-CZ3 4.38Å |
| 564 | D | 81.9 | Confident | 73.8 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.4 | -32.1 | 177.6 | -175.2 | 6.8 | 0 | 0 | 0 | 112.5 | K520 T560 A561 G562 T568 | K520-D564 VanDerWaalsContact CE-CG 3.46Å; K520-D564 VanDerWaalsContact CE-OD1 3.22Å; K520-D564 WeakPolarHBondContact CE-OD1 3.37Å; K520-D564 WeakPolarHBondContact CE-OD2 3.34Å; K520-D564 IonicContact NZ-OD1 3.05Å; K520-D564 PolarHBondContact NZ-OD1 2.96Å; K520-D564 IonicContact NZ-OD2 3.47Å; K520-D564 PolarHBondContact NZ-OD2 3.04Å; T560-D564 VanDerWaalsContact O-CB 3.28Å; T560-D564 WeakPolarHBondContact O-CB 3.48Å; T560-D564 PolarHBondContact O-N 2.7Å; A561-D564 PolarHBondContact O-N 3.06Å; G562-D564 VanDerWaalsContact C-N 3.33Å; G562-D564 PolarHBondContact O-N 3.49Å; D564-T568 VanDerWaalsContact O-CB 3.28Å; D564-T568 WeakPolarHBondContact O-CB 3.43Å; D564-T568 PolarHBondContact O-N 3.06Å; D564-T568 PolarHBondContact O-OG1 2.75Å |
| 565 | L | 84.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.7 | -47.6 | 169.6 | -71.6 | 170.4 | 0 | 0 | 0 | 111.8 | I516 L519 K520 L523 I541 L545 A561 G562 T568 L569 | I516-L565 HydrophobicContact CD1-CD1 4.35Å; I516-L565 HydrophobicContact CG2-CD2 4.46Å; L519-L565 HydrophobicContact CB-CD1 4.49Å; L519-L565 HydrophobicContact CB-CD2 3.57Å; L519-L565 HydrophobicContact CD1-CD1 3.91Å; L519-L565 HydrophobicContact CD1-CD2 4.44Å; K520-L565 HydrophobicContact CG-CD2 3.79Å; L523-L565 HydrophobicContact CD1-CB 3.98Å; L523-L565 HydrophobicContact CD1-CD2 3.69Å; L523-L565 HydrophobicContact CD1-CG 4.43Å; L523-L565 WeakPolarHBondContact CD1-O 3.28Å; I541-L565 HydrophobicContact CD1-CB 4.21Å; I541-L565 HydrophobicContact CG2-CB 4.16Å; I541-L565 HydrophobicContact CG2-CD1 4.5Å; L545-L565 HydrophobicContact CD1-CD1 3.78Å; A561-L565 VanDerWaalsContact O-CG 3.28Å; A561-L565 WeakPolarHBondContact O-CG 3.47Å; A561-L565 PolarHBondContact O-N 3.29Å; G562-L565 PolarHBondContact O-N 3.12Å; L565-T568 WeakPolarHBondContact O-CB 3.41Å; L565-T568 PolarHBondContact O-N 2.64Å; L565-T568 VanDerWaalsContact O-N 3.16Å; L565-L569 PolarHBondContact O-N 2.9Å |
| 566 | I | 80.8 | Confident | 73.1 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.6 | -65.2 | -178.8 | 0 | 0 | 0 | 110.3 | I541 I546 G562 Y563 T568 L569 N570 F604 | I541-I566 HydrophobicContact CG2-CD1 4.25Å; I541-I566 HydrophobicContact CG2-CG1 3.87Å; I546-I566 HydrophobicContact CD1-CD1 3.5Å; I546-I566 VanDerWaalsContact CD1-CD1 3.5Å; I546-I566 HydrophobicContact CD1-CG1 4.4Å; G562-I566 PolarHBondContact O-N 3.49Å; Y563-I566 PolarHBondContact O-N 3.26Å; I566-T568 PolarHBondContact O-N 2.69Å; I566-L569 PolarHBondContact O-N 3.43Å; I566-N570 WeakPolarHBondContact O-CB 3.4Å; I566-N570 PolarHBondContact O-N 2.67Å; I566-N570 PolarHBondContact O-OD1 3.47Å; I566-F604 HydrophobicContact CD1-CB 4.44Å; I566-F604 HydrophobicContact CD1-CD1 3.86Å; I566-F604 HydrophobicContact CD1-CG 4.38Å; I566-F604 HydrophobicContact CG2-CB 4.11Å |
| 567 | A | 78.1 | Confident | 73.2 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 44% | 0.438 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.2 | -32.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y563 N570 H571 | Y563-A567 WeakPolarHBondContact O-CB 3.48Å; Y563-A567 PolarHBondContact O-N 3.1Å; A567-N570 PolarHBondContact O-N 2.91Å; A567-H571 PolarHBondContact O-N 3.14Å |
| 568 | T | 81.1 | Confident | 73.4 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 173.8 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | K520 L523 R524 D564 L565 I566 H571 | K520-T568 HydrophobicContact CB-CG2 4.03Å; K520-T568 HydrophobicContact CG-CG2 3.98Å; L523-T568 HydrophobicContact CB-CG2 4.32Å; R524-T568 HydrophobicContact CG-CG2 3.71Å; D564-T568 VanDerWaalsContact O-CB 3.28Å; D564-T568 WeakPolarHBondContact O-CB 3.43Å; D564-T568 PolarHBondContact O-N 3.06Å; D564-T568 PolarHBondContact O-OG1 2.75Å; L565-T568 WeakPolarHBondContact O-CB 3.41Å; L565-T568 PolarHBondContact O-N 2.64Å; L565-T568 VanDerWaalsContact O-N 3.16Å; I566-T568 PolarHBondContact O-N 2.69Å; T568-H571 PolarHBondContact O-N 2.97Å |
| 569 | L | 77.1 | Confident | 73.5 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.7 | -33.7 | 174.3 | -173.3 | 61 | 0 | 0 | 0 | 111.8 | L523 L565 I566 H571 V579 L605 | L523-L569 HydrophobicContact CB-CD1 4.44Å; L523-L569 HydrophobicContact CD2-CB 4.33Å; L523-L569 HydrophobicContact CD2-CD1 4.12Å; L523-L569 HydrophobicContact CD2-CD2 4.23Å; L523-L569 HydrophobicContact CD2-CG 4.46Å; L565-L569 PolarHBondContact O-N 2.9Å; I566-L569 PolarHBondContact O-N 3.43Å; L569-H571 VanDerWaalsContact C-N 3.26Å; L569-H571 PolarHBondContact O-N 3.42Å; L569-V579 HydrophobicContact CD1-CG1 4.2Å; L569-V579 HydrophobicContact CD1-CG2 4.46Å; L569-V579 HydrophobicContact CG-CG1 4.29Å; L569-L605 HydrophobicContact CD2-CD2 3.67Å; L569-L605 HydrophobicContact CG-CD2 3.75Å |
| 570 | N | 70.8 | Confident | 73.4 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.6 | 177.3 | -62.3 | 12 | 0 | 0 | 0 | 113.8 | I566 A567 E572 F604 L605 | I566-N570 WeakPolarHBondContact O-CB 3.4Å; I566-N570 PolarHBondContact O-N 2.67Å; I566-N570 PolarHBondContact O-OD1 3.47Å; A567-N570 PolarHBondContact O-N 2.91Å; N570-E572 PolarHBondContact O-N 2.76Å; N570-F604 PolarHBondContact ND2-O 2.85Å; N570-L605 PolarHBondContact ND2-O 3.21Å; N570-L605 WeakPolarHBondContact OD1-CA 3.34Å |
| 571 | H | 67.5 | Low | 73.3 | Confident | 157 Ų | 157 | 51.2 Ų | 51.2 | 73% | 0.727 | 26% | 0.262 | S | S | * | . | trans | -81 | 61.3 | -172.6 | -154 | -47.6 | 0 | 0 | 0 | 112.3 | A567 T568 L569 | A567-H571 PolarHBondContact O-N 3.14Å; T568-H571 PolarHBondContact O-N 2.97Å; L569-H571 VanDerWaalsContact C-N 3.26Å; L569-H571 PolarHBondContact O-N 3.42Å | ||
| 572 | E | 62.7 | Low | 73.3 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | trans | -78.7 | 149.3 | -177.2 | -47.9 | -160 | 101.7 | 0 | 0 | 113 | N570 E574 R577 Y578 V579 T580 | N570-E572 PolarHBondContact O-N 2.76Å; E572-E574 PolarHBondContact O-N 2.83Å; E572-R577 VanDerWaalsContact CD-CA 3.47Å; E572-R577 VanDerWaalsContact OE1-CA 3.3Å; E572-R577 WeakPolarHBondContact OE1-CA 3.28Å; E572-R577 WeakPolarHBondContact OE2-CA 3.38Å; E572-Y578 PolarHBondContact OE1-N 2.92Å; E572-V579 WeakPolarHBondContact OE1-CA 3.23Å; E572-V579 WeakPolarHBondContact OE1-CB 3.5Å; E572-V579 PolarHBondContact OE1-N 2.54Å; E572-T580 PolarHBondContact OE1-N 3.4Å; E572-T580 VanDerWaalsContact OE2-CB 3.28Å; E572-T580 WeakPolarHBondContact OE2-CB 3.45Å; E572-T580 PolarHBondContact OE2-OG1 3.25Å | ||
| 573 | D | 59.6 | Low | 73.3 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | trans | -67.4 | 129.6 | 159.6 | -47.7 | -69.6 | 0 | 0 | 0 | 108.1 | R526 T575 T576 R577 | R526-D573 IonicContact NH2-OD2 2.61Å; R526-D573 PolarHBondContact NH2-OD2 3.39Å; D573-T575 PolarHBondContact O-N 2.65Å; D573-T576 HydrophobicContact CB-CG2 4.11Å; D573-T576 WeakPolarHBondContact CB-OG1 3.34Å; D573-T576 PolarHBondContact O-N 2.98Å; D573-T576 PolarHBondContact OD2-OG1 3.01Å; D573-R577 PolarHBondContact O-N 2.78Å | ||
| 574 | E | 58.5 | Low | 73.3 | Confident | 157 Ų | 157 | 51.9 Ų | 51.9 | 73% | 0.734 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -28 | -178 | -63 | -174.8 | 152.4 | 0 | 0 | 113.6 | E572 R577 | E572-E574 PolarHBondContact O-N 2.83Å; E574-R577 WeakPolarHBondContact O-CG 3.21Å; E574-R577 PolarHBondContact O-NE 3.07Å |
| 575 | T | 54.7 | Low | 73.3 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 73% | 0.73 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -39.2 | 178.8 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | D573 K581 | D573-T575 PolarHBondContact O-N 2.65Å; T575-K581 PolarHBondContact O-NZ 3Å |
| 576 | T | 63.5 | Low | 73.2 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -44.4 | -173.4 | 70 | 0 | 0 | 0 | 0 | 111.8 | D573 Y578 K581 | D573-T576 HydrophobicContact CB-CG2 4.11Å; D573-T576 WeakPolarHBondContact CB-OG1 3.34Å; D573-T576 PolarHBondContact O-N 2.98Å; D573-T576 PolarHBondContact OD2-OG1 3.01Å; T576-Y578 PolarHBondContact O-N 2.86Å; T576-K581 WeakPolarHBondContact O-CD 3.39Å; T576-K581 WeakPolarHBondContact O-CE 3.44Å; T576-K581 PolarHBondContact O-NZ 3.15Å |
| 577 | R | 71.5 | Confident | 73.4 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | trans | 42.7 | 47.5 | -177.9 | -56 | -172.7 | -167.1 | -170.6 | -0.5 | 113.2 | E572 D573 E574 K581 E611 | E572-R577 VanDerWaalsContact CD-CA 3.47Å; E572-R577 VanDerWaalsContact OE1-CA 3.3Å; E572-R577 WeakPolarHBondContact OE1-CA 3.28Å; E572-R577 WeakPolarHBondContact OE2-CA 3.38Å; D573-R577 PolarHBondContact O-N 2.78Å; E574-R577 WeakPolarHBondContact O-CG 3.21Å; E574-R577 PolarHBondContact O-NE 3.07Å; R577-K581 HydrophobicContact CB-CD 4.41Å; R577-K581 HydrophobicContact CB-CG 4.47Å; R577-K581 VanDerWaalsContact O-CB 3.23Å; R577-K581 WeakPolarHBondContact O-CB 3.43Å; R577-K581 WeakPolarHBondContact O-CD 3.47Å; R577-K581 WeakPolarHBondContact O-CG 3.3Å; R577-K581 PolarHBondContact O-N 3.36Å; R577-E611 IonicContact CZ-OE1 3.76Å; R577-E611 IonicContact CZ-OE2 2.84Å; R577-E611 IonicContact NH1-OE1 2.71Å; R577-E611 PolarHBondContact NH1-OE1 3.42Å; R577-E611 IonicContact NH1-OE2 3.14Å; R577-E611 PolarHBondContact NH1-OE2 2.78Å; R577-E611 IonicContact NH2-OE1 3.31Å | ||
| 578 | Y | 74.7 | Confident | 73.5 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | -167.1 | 178.1 | -105.6 | 0 | 0 | 0 | 113.8 | R526 V529 E572 T576 T582 | R526-Y578 HydrophobicContact CB-CD1 4.23Å; R526-Y578 HydrophobicContact CB-CE1 3.76Å; R526-Y578 HydrophobicContact CG-CD1 3.99Å; R526-Y578 HydrophobicContact CG-CE1 4.04Å; R526-Y578 PolarHBondContact O-OH 3.44Å; V529-Y578 HydrophobicContact CB-CE1 4.04Å; V529-Y578 HydrophobicContact CG1-CE1 4.36Å; V529-Y578 HydrophobicContact CG2-CD1 4.3Å; V529-Y578 HydrophobicContact CG2-CE1 3.99Å; E572-Y578 PolarHBondContact OE1-N 2.92Å; T576-Y578 PolarHBondContact O-N 2.86Å; Y578-T582 WeakPolarHBondContact O-CB 3.15Å; Y578-T582 PolarHBondContact O-N 3.26Å; Y578-T582 PolarHBondContact O-OG1 1.92Å |
| 579 | V | 76.9 | Confident | 73.6 | Confident | 15 Ų | 15 | 66 Ų | 66 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.3 | -47.9 | 179.3 | -175 | 0 | 0 | 0 | 0 | 110.1 | V529 L569 E572 K581 T582 A583 L605 | V529-V579 HydrophobicContact CG1-CB 4.24Å; V529-V579 HydrophobicContact CG1-CG1 3.96Å; V529-V579 HydrophobicContact CG1-CG2 4.03Å; V529-V579 HydrophobicContact CG2-CG2 4.11Å; L569-V579 HydrophobicContact CD1-CG1 4.2Å; L569-V579 HydrophobicContact CD1-CG2 4.46Å; L569-V579 HydrophobicContact CG-CG1 4.29Å; E572-V579 WeakPolarHBondContact OE1-CA 3.23Å; E572-V579 WeakPolarHBondContact OE1-CB 3.5Å; E572-V579 PolarHBondContact OE1-N 2.54Å; V579-K581 PolarHBondContact O-N 2.7Å; V579-T582 PolarHBondContact O-N 2.61Å; V579-T582 VanDerWaalsContact O-N 3.14Å; V579-A583 PolarHBondContact O-N 3.39Å; V579-L605 HydrophobicContact CG1-CD1 4.08Å; V579-L605 HydrophobicContact CG1-CD2 3.64Å; V579-L605 HydrophobicContact CG1-CG 4.47Å |
| 580 | T | 75.7 | Confident | 73.8 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 10% | 0.104 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 178.3 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | E572 T582 A583 I584 | E572-T580 PolarHBondContact OE1-N 3.4Å; E572-T580 VanDerWaalsContact OE2-CB 3.28Å; E572-T580 WeakPolarHBondContact OE2-CB 3.45Å; E572-T580 PolarHBondContact OE2-OG1 3.25Å; T580-T582 VanDerWaalsContact C-N 3.3Å; T580-T582 PolarHBondContact O-N 3.18Å; T580-A583 PolarHBondContact O-N 2.8Å; T580-I584 HydrophobicContact CG2-CD1 3.95Å; T580-I584 VanDerWaalsContact O-CG1 3.29Å; T580-I584 WeakPolarHBondContact O-CG1 3.26Å; T580-I584 PolarHBondContact O-N 3.25Å |
| 581 | K | 77.9 | Confident | 74.5 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 47% | 0.47 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.7 | -32.2 | 175.9 | -72.1 | 170.5 | -171.8 | 159.3 | 0 | 112.5 | T575 T576 R577 V579 R585 | T575-K581 PolarHBondContact O-NZ 3Å; T576-K581 WeakPolarHBondContact O-CD 3.39Å; T576-K581 WeakPolarHBondContact O-CE 3.44Å; T576-K581 PolarHBondContact O-NZ 3.15Å; R577-K581 HydrophobicContact CB-CD 4.41Å; R577-K581 HydrophobicContact CB-CG 4.47Å; R577-K581 VanDerWaalsContact O-CB 3.23Å; R577-K581 WeakPolarHBondContact O-CB 3.43Å; R577-K581 WeakPolarHBondContact O-CD 3.47Å; R577-K581 WeakPolarHBondContact O-CG 3.3Å; R577-K581 PolarHBondContact O-N 3.36Å; V579-K581 PolarHBondContact O-N 2.7Å; K581-R585 WeakPolarHBondContact O-CB 3.38Å; K581-R585 PolarHBondContact O-N 3.38Å |
| 582 | T | 81.4 | Confident | 75.1 | Confident | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.9 | -45.7 | 176.3 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | V529 E530 I533 Y578 V579 T580 I584 R585 M586 | V529-T582 HydrophobicContact CG1-CG2 4.19Å; E530-T582 HydrophobicContact CG-CG2 3.4Å; E530-T582 VanDerWaalsContact CG-CG2 3.4Å; I533-T582 HydrophobicContact CD1-CG2 4.21Å; Y578-T582 WeakPolarHBondContact O-CB 3.15Å; Y578-T582 PolarHBondContact O-N 3.26Å; Y578-T582 PolarHBondContact O-OG1 1.92Å; V579-T582 PolarHBondContact O-N 2.61Å; V579-T582 VanDerWaalsContact O-N 3.14Å; T580-T582 VanDerWaalsContact C-N 3.3Å; T580-T582 PolarHBondContact O-N 3.18Å; T582-I584 PolarHBondContact O-N 3.01Å; T582-R585 WeakPolarHBondContact O-CB 3.43Å; T582-R585 PolarHBondContact O-N 3.46Å; T582-M586 HydrophobicContact CG2-SD 4.35Å; T582-M586 WeakPolarHBondContact O-CG 3.49Å; T582-M586 PolarHBondContact O-N 2.94Å |
| 583 | A | 80.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I533 V579 T580 R585 M586 F587 A598 L602 L605 | I533-A583 HydrophobicContact CD1-CB 4.1Å; V579-A583 PolarHBondContact O-N 3.39Å; T580-A583 PolarHBondContact O-N 2.8Å; A583-R585 VanDerWaalsContact C-N 3.35Å; A583-R585 PolarHBondContact O-N 3.2Å; A583-M586 PolarHBondContact O-N 3.33Å; A583-F587 WeakPolarHBondContact O-CB 3.47Å; A583-F587 PolarHBondContact O-N 3.5Å; A583-A598 WeakPolarHBondContact O-CB 3.35Å; A583-L602 HydrophobicContact CB-CD2 3.82Å; A583-L602 HydrophobicContact CB-CG 4.19Å; A583-L605 HydrophobicContact CB-CD1 3.94Å |
| 584 | I | 79.3 | Confident | 77 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.1 | -67.5 | 166.7 | 0 | 0 | 0 | 111.5 | T580 T582 M586 F587 N588 L602 L612 | T580-I584 HydrophobicContact CG2-CD1 3.95Å; T580-I584 VanDerWaalsContact O-CG1 3.29Å; T580-I584 WeakPolarHBondContact O-CG1 3.26Å; T580-I584 PolarHBondContact O-N 3.25Å; T582-I584 PolarHBondContact O-N 3.01Å; I584-M586 VanDerWaalsContact C-N 3.35Å; I584-M586 PolarHBondContact O-N 3.31Å; I584-F587 PolarHBondContact O-N 2.93Å; I584-N588 WeakPolarHBondContact O-CB 3.4Å; I584-N588 VanDerWaalsContact O-CG 3.3Å; I584-N588 PolarHBondContact O-N 3.16Å; I584-L602 HydrophobicContact CG1-CD2 4.37Å; I584-L612 HydrophobicContact CD1-CD2 3.77Å; I584-L612 HydrophobicContact CG1-CD2 3.84Å |
| 585 | R | 83.1 | Confident | 78.2 | Confident | 113 Ų | 113 | 64.4 Ų | 64.4 | 43% | 0.426 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 175.6 | -164.1 | -165.5 | 83.9 | -150.2 | 4.9 | 111.5 | E530 K581 T582 A583 Y589 | E530-R585 IonicContact OE1-CZ 3.91Å; E530-R585 VanDerWaalsContact OE1-CZ 3.32Å; E530-R585 IonicContact OE1-NH1 2.75Å; E530-R585 PolarHBondContact OE1-NH1 2.9Å; E530-R585 IonicContact OE1-NH2 3.86Å; E530-R585 PolarHBondContact OE1-NH2 3.45Å; E530-R585 IonicContact OE2-CZ 2.65Å; E530-R585 IonicContact OE2-NH1 2.78Å; E530-R585 IonicContact OE2-NH2 3Å; E530-R585 PolarHBondContact OE2-NH2 3.39Å; K581-R585 WeakPolarHBondContact O-CB 3.38Å; K581-R585 PolarHBondContact O-N 3.38Å; T582-R585 WeakPolarHBondContact O-CB 3.43Å; T582-R585 PolarHBondContact O-N 3.46Å; A583-R585 VanDerWaalsContact C-N 3.35Å; A583-R585 PolarHBondContact O-N 3.2Å; R585-Y589 HydrophobicContact CG-CD2 4.08Å; R585-Y589 WeakPolarHBondContact O-CB 3.21Å; R585-Y589 WeakPolarHBondContact O-CD2 3.19Å; R585-Y589 PolarHBondContact O-N 2.59Å |
| 586 | M | 83 | Confident | 79.5 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.8 | -40 | 176.8 | -73.3 | 176.8 | 140.1 | 0 | 0 | 112.2 | E530 I533 E534 T582 A583 I584 N588 G590 R595 A598 | E530-M586 HydrophobicContact CB-CE 3.72Å; E530-M586 HydrophobicContact CG-CE 4.02Å; I533-M586 HydrophobicContact CB-SD 4.09Å; I533-M586 HydrophobicContact CD1-SD 4.33Å; I533-M586 HydrophobicContact CG2-SD 3.87Å; E534-M586 HydrophobicContact CG-CE 3.69Å; E534-M586 WeakPolarHBondContact OE1-CE 3.37Å; T582-M586 HydrophobicContact CG2-SD 4.35Å; T582-M586 WeakPolarHBondContact O-CG 3.49Å; T582-M586 PolarHBondContact O-N 2.94Å; A583-M586 PolarHBondContact O-N 3.33Å; I584-M586 VanDerWaalsContact C-N 3.35Å; I584-M586 PolarHBondContact O-N 3.31Å; M586-N588 PolarHBondContact O-N 3.42Å; M586-G590 VanDerWaalsContact O-CA 3.31Å; M586-G590 WeakPolarHBondContact O-CA 3.44Å; M586-G590 PolarHBondContact O-N 2.87Å; M586-R595 WeakPolarHBondContact O-CG 3.3Å; M586-A598 HydrophobicContact CB-CB 3.93Å |
| 587 | F | 83.7 | Confident | 80.4 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 175.2 | -178.9 | -102.4 | 0 | 0 | 0 | 113.6 | A583 I584 R595 A598 A599 F620 | A583-F587 WeakPolarHBondContact O-CB 3.47Å; A583-F587 PolarHBondContact O-N 3.5Å; I584-F587 PolarHBondContact O-N 2.93Å; F587-R595 HydrophobicContact CD2-CB 4.41Å; F587-R595 WeakPolarHBondContact O-CG 3.36Å; F587-R595 PolarHBondContact O-NE 2.87Å; F587-A598 HydrophobicContact CB-CB 4.26Å; F587-A599 HydrophobicContact CD2-CB 4Å; F587-A599 HydrophobicContact CE2-CB 4.1Å; F587-F620 HydrophobicContact CE2-CB 3.97Å; F587-F620 AromaticContact CE2-CD1 3.95Å; F587-F620 HydrophobicContact CE2-CD1 3.95Å; F587-F620 AromaticContact CE2-CG 3.9Å; F587-F620 HydrophobicContact CE2-CG 3.9Å; F587-F620 HydrophobicContact CZ-CB 4.05Å; F587-F620 HydrophobicContact CZ-CG 4.36Å |
| 588 | N | 81.5 | Confident | 80.8 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -83.7 | -29.6 | -178.1 | -70.9 | -13.1 | 0 | 0 | 0 | 114 | I584 M586 | I584-N588 WeakPolarHBondContact O-CB 3.4Å; I584-N588 VanDerWaalsContact O-CG 3.3Å; I584-N588 PolarHBondContact O-N 3.16Å; M586-N588 PolarHBondContact O-N 3.42Å |
| 589 | Y | 82.9 | Confident | 81.1 | Confident | 195 Ų | 195 | 52.3 Ų | 52.3 | 77% | 0.765 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -135.3 | 0.5 | -167.9 | -52.7 | -66.7 | 0 | 0 | 0 | 115.4 | R585 | R585-Y589 HydrophobicContact CG-CD2 4.08Å; R585-Y589 WeakPolarHBondContact O-CB 3.21Å; R585-Y589 WeakPolarHBondContact O-CD2 3.19Å; R585-Y589 PolarHBondContact O-N 2.59Å |
| 590 | G | 81.6 | Confident | 81.3 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -82.5 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M586 R595 | M586-G590 VanDerWaalsContact O-CA 3.31Å; M586-G590 WeakPolarHBondContact O-CA 3.44Å; M586-G590 PolarHBondContact O-N 2.87Å; G590-R595 VanDerWaalsContact O-CD 3.29Å; G590-R595 WeakPolarHBondContact O-CD 3.34Å |
| 591 | T | 84.4 | Confident | 81.5 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | trans | -65.1 | 157.8 | 164.9 | 67 | 0 | 0 | 0 | 0 | 110.6 | Q593 Q594 R595 | T591-Q593 PolarHBondContact O-N 2.92Å; T591-Q594 CarbonylContact O-C 3.51Å; T591-Q594 WeakPolarHBondContact O-CA 3.14Å; T591-Q594 WeakPolarHBondContact O-CB 3.43Å; T591-Q594 PolarHBondContact O-N 3.35Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.44Å; T591-Q594 PolarHBondContact OG1-N 3.14Å; T591-Q594 PolarHBondContact OG1-OE1 3.18Å; T591-R595 VanDerWaalsContact O-CG 3.27Å; T591-R595 WeakPolarHBondContact O-CG 3.24Å; T591-R595 PolarHBondContact O-N 3.25Å | ||
| 592 | D | 79.9 | Confident | 81.5 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.1 | -30.2 | -177.7 | -94.9 | 10.5 | 0 | 0 | 0 | 114.5 | R595 L596 R624 | D592-R595 IonicContact OD1-CZ 3.87Å; D592-R595 IonicContact OD1-NH1 3.89Å; D592-R595 PolarHBondContact OD1-NH1 2.97Å; D592-L596 WeakPolarHBondContact O-CB 3.23Å; D592-L596 PolarHBondContact O-N 2.98Å; D592-R624 IonicContact OD2-NH2 3.21Å; D592-R624 PolarHBondContact OD2-NH2 3.47Å |
| 593 | Q | 80.5 | Confident | 81.2 | Confident | 133 Ų | 133 | 46 Ų | 46 | 62% | 0.621 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -76.7 | -39.1 | 174.7 | -164.5 | 166.8 | 10.4 | 0 | 0 | 112.6 | T591 R595 L596 L597 | T591-Q593 PolarHBondContact O-N 2.92Å; Q593-R595 VanDerWaalsContact C-N 3.29Å; Q593-R595 PolarHBondContact O-N 3.46Å; Q593-L596 PolarHBondContact O-N 3.12Å; Q593-L597 HydrophobicContact CG-CD1 4.34Å; Q593-L597 WeakPolarHBondContact O-CG 3.4Å; Q593-L597 PolarHBondContact O-N 2.98Å |
| 594 | Q | 81.9 | Confident | 81 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 168.8 | -74.8 | 169.3 | -29.8 | 0 | 0 | 111.2 | E534 T591 A598 | E534-Q594 HydrophobicContact CG-CG 4.13Å; E534-Q594 PolarHBondContact OE1-NE2 3.23Å; T591-Q594 CarbonylContact O-C 3.51Å; T591-Q594 WeakPolarHBondContact O-CA 3.14Å; T591-Q594 WeakPolarHBondContact O-CB 3.43Å; T591-Q594 PolarHBondContact O-N 3.35Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.44Å; T591-Q594 PolarHBondContact OG1-N 3.14Å; T591-Q594 PolarHBondContact OG1-OE1 3.18Å; Q594-A598 WeakPolarHBondContact O-CB 3.31Å; Q594-A598 PolarHBondContact O-N 3.2Å |
| 595 | R | 84.3 | Confident | 80.6 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 178.1 | -64.6 | 173.9 | 67.6 | -142.4 | 0 | 111.3 | M586 F587 G590 T591 D592 Q593 A599 F620 | M586-R595 WeakPolarHBondContact O-CG 3.3Å; F587-R595 HydrophobicContact CD2-CB 4.41Å; F587-R595 WeakPolarHBondContact O-CG 3.36Å; F587-R595 PolarHBondContact O-NE 2.87Å; G590-R595 VanDerWaalsContact O-CD 3.29Å; G590-R595 WeakPolarHBondContact O-CD 3.34Å; T591-R595 VanDerWaalsContact O-CG 3.27Å; T591-R595 WeakPolarHBondContact O-CG 3.24Å; T591-R595 PolarHBondContact O-N 3.25Å; D592-R595 IonicContact OD1-CZ 3.87Å; D592-R595 IonicContact OD1-NH1 3.89Å; D592-R595 PolarHBondContact OD1-NH1 2.97Å; Q593-R595 VanDerWaalsContact C-N 3.29Å; Q593-R595 PolarHBondContact O-N 3.46Å; R595-A599 VanDerWaalsContact O-CB 3.29Å; R595-A599 WeakPolarHBondContact O-CB 3.44Å; R595-A599 PolarHBondContact O-N 3.33Å; R595-F620 HydrophobicContact CB-CE1 4.36Å; R595-F620 HydrophobicContact CB-CZ 4.06Å |
| 596 | L | 81.9 | Confident | 79.6 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -50.4 | 175.9 | -175.3 | 58.2 | 0 | 0 | 0 | 112.5 | D592 Q593 A598 A599 C600 F620 L621 R624 Q635 V639 | D592-L596 WeakPolarHBondContact O-CB 3.23Å; D592-L596 PolarHBondContact O-N 2.98Å; Q593-L596 PolarHBondContact O-N 3.12Å; L596-A598 VanDerWaalsContact C-N 3.3Å; L596-A598 PolarHBondContact O-N 2.95Å; L596-A599 WeakPolarHBondContact O-CB 3.24Å; L596-A599 PolarHBondContact O-N 3.16Å; L596-A599 VanDerWaalsContact O-N 3.08Å; L596-C600 PolarHBondContact O-N 3.02Å; L596-C600 PolarHBondContact O-SG 2.94Å; L596-C600 VanDerWaalsContact O-SG 3.39Å; L596-F620 HydrophobicContact CB-CE1 4.09Å; L596-F620 HydrophobicContact CD1-CE1 4.08Å; L596-L621 HydrophobicContact CD1-CD2 4.13Å; L596-R624 HydrophobicContact CD1-CB 4.27Å; L596-R624 HydrophobicContact CD1-CG 4.17Å; L596-Q635 VanDerWaalsContact CD2-CD 3.49Å; L596-Q635 HydrophobicContact CD2-CG 3.59Å; L596-V639 HydrophobicContact CD1-CG2 3.79Å |
| 597 | L | 82.2 | Confident | 78.1 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.168 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -32.7 | -179.6 | -65.1 | 173.1 | 0 | 0 | 0 | 112.3 | I533 E534 Q593 S601 | I533-L597 WeakPolarHBondContact O-CB 3.48Å; E534-L597 WeakPolarHBondContact O-CD1 3.03Å; Q593-L597 HydrophobicContact CG-CD1 4.34Å; Q593-L597 WeakPolarHBondContact O-CG 3.4Å; Q593-L597 PolarHBondContact O-N 2.98Å; L597-S601 VanDerWaalsContact O-CB 3.31Å; L597-S601 WeakPolarHBondContact O-CB 3.5Å; L597-S601 PolarHBondContact O-N 3.25Å; L597-S601 PolarHBondContact O-OG 2.75Å |
| 598 | A | 80.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I533 A583 M586 F587 Q594 L596 C600 S601 L602 | I533-A598 HydrophobicContact CG2-CB 4.16Å; A583-A598 WeakPolarHBondContact O-CB 3.35Å; M586-A598 HydrophobicContact CB-CB 3.93Å; F587-A598 HydrophobicContact CB-CB 4.26Å; Q594-A598 WeakPolarHBondContact O-CB 3.31Å; Q594-A598 PolarHBondContact O-N 3.2Å; L596-A598 VanDerWaalsContact C-N 3.3Å; L596-A598 PolarHBondContact O-N 2.95Å; A598-C600 PolarHBondContact O-N 3.5Å; A598-S601 PolarHBondContact O-N 2.76Å; A598-S601 VanDerWaalsContact O-N 3.16Å; A598-L602 WeakPolarHBondContact O-CG 3.29Å; A598-L602 PolarHBondContact O-N 3.02Å |
| 599 | A | 80.3 | Confident | 75.2 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F587 R595 L596 S601 P603 F620 L621 | F587-A599 HydrophobicContact CD2-CB 4Å; F587-A599 HydrophobicContact CE2-CB 4.1Å; R595-A599 VanDerWaalsContact O-CB 3.29Å; R595-A599 WeakPolarHBondContact O-CB 3.44Å; R595-A599 PolarHBondContact O-N 3.33Å; L596-A599 WeakPolarHBondContact O-CB 3.24Å; L596-A599 PolarHBondContact O-N 3.16Å; L596-A599 VanDerWaalsContact O-N 3.08Å; A599-S601 VanDerWaalsContact C-N 3.33Å; A599-P603 WeakPolarHBondContact O-CD 3.46Å; A599-F620 HydrophobicContact CB-CD1 4.31Å; A599-L621 HydrophobicContact CB-CD1 4.48Å; A599-L621 HydrophobicContact CB-CD2 3.86Å; A599-L621 HydrophobicContact CB-CG 4.02Å |
| 600 | C | 81.1 | Confident | 73.7 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.5 | -29.8 | 173.8 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | L596 A598 P603 F604 S642 | L596-C600 PolarHBondContact O-N 3.02Å; L596-C600 PolarHBondContact O-SG 2.94Å; L596-C600 VanDerWaalsContact O-SG 3.39Å; A598-C600 PolarHBondContact O-N 3.5Å; C600-P603 WeakPolarHBondContact O-CD 3.39Å; C600-F604 VanDerWaalsContact O-CD2 3.24Å; C600-F604 WeakPolarHBondContact O-CD2 3.21Å; C600-F604 VanDerWaalsContact O-CE2 3.23Å; C600-F604 WeakPolarHBondContact O-CE2 3.48Å; C600-S642 VanDerWaalsContact CA-OG 3.23Å; C600-S642 WeakPolarHBondContact CA-OG 3.37Å; C600-S642 VanDerWaalsContact CB-OG 3.31Å; C600-S642 WeakPolarHBondContact CB-OG 3.46Å; C600-S642 PolarHBondContact O-OG 3.11Å |
| 601 | S | 80.5 | Confident | 72.1 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75 | -35.6 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | L597 A598 A599 F604 L605 | L597-S601 VanDerWaalsContact O-CB 3.31Å; L597-S601 WeakPolarHBondContact O-CB 3.5Å; L597-S601 PolarHBondContact O-N 3.25Å; L597-S601 PolarHBondContact O-OG 2.75Å; A598-S601 PolarHBondContact O-N 2.76Å; A598-S601 VanDerWaalsContact O-N 3.16Å; A599-S601 VanDerWaalsContact C-N 3.33Å; S601-F604 WeakPolarHBondContact O-CB 3.44Å; S601-F604 PolarHBondContact O-N 3.37Å; S601-L605 WeakPolarHBondContact O-CG 3.45Å; S601-L605 PolarHBondContact O-N 3.39Å |
| 602 | L | 77.3 | Confident | 70.5 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.9 | -39.8 | -175 | -77.7 | 169.2 | 0 | 0 | 0 | 115.5 | A583 I584 A598 F604 L605 S606 L612 F614 | A583-L602 HydrophobicContact CB-CD2 3.82Å; A583-L602 HydrophobicContact CB-CG 4.19Å; I584-L602 HydrophobicContact CG1-CD2 4.37Å; A598-L602 WeakPolarHBondContact O-CG 3.29Å; A598-L602 PolarHBondContact O-N 3.02Å; L602-F604 PolarHBondContact O-N 2.94Å; L602-L605 PolarHBondContact O-N 2.99Å; L602-S606 PolarHBondContact O-N 3.06Å; L602-S606 VanDerWaalsContact O-N 3.11Å; L602-L612 HydrophobicContact CD1-CD2 4.11Å; L602-L612 HydrophobicContact CD2-CD2 3.95Å; L602-F614 HydrophobicContact CB-CE2 4.05Å |
| 603 | P | 76 | Confident | 69.2 | Low | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56 | -26.9 | 171.1 | -32.5 | 38.6 | 0 | 0 | 0 | 115.7 | A599 C600 F614 V645 L646 R649 | A599-P603 WeakPolarHBondContact O-CD 3.46Å; C600-P603 WeakPolarHBondContact O-CD 3.39Å; P603-F614 HydrophobicContact CG-CZ 4.39Å; P603-V645 HydrophobicContact CB-CB 4.45Å; P603-V645 HydrophobicContact CB-CG1 4.16Å; P603-L646 HydrophobicContact CB-CD2 3.66Å; P603-L646 HydrophobicContact CB-CG 3.83Å; P603-L646 HydrophobicContact CG-CD1 3.91Å; P603-L646 HydrophobicContact CG-CD2 3.83Å; P603-L646 HydrophobicContact CG-CG 3.72Å; P603-R649 PolarHBondContact O-NE 2.94Å; P603-R649 PolarHBondContact O-NH1 2.73Å; P603-R649 PolarHBondContact O-NH2 2.95Å |
| 604 | F | 76 | Confident | 68 | Low | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -86.1 | -46.7 | 173.7 | -56 | -74.4 | 0 | 0 | 0 | 110.4 | C538 F542 I566 N570 C600 S601 L602 T641 V645 R649 | C538-F604 HydrophobicContact CB-CB 4.36Å; C538-F604 HydrophobicContact CB-CD2 3.79Å; C538-F604 HydrophobicContact CB-CE2 4.47Å; C538-F604 HydrophobicContact CB-CG 4.24Å; F542-F604 HydrophobicContact CB-CE1 4.01Å; F542-F604 HydrophobicContact CB-CZ 4.14Å; F542-F604 HydrophobicContact CD2-CD1 4.3Å; F542-F604 AromaticContact CD2-CE1 3.43Å; F542-F604 HydrophobicContact CD2-CE1 3.43Å; F542-F604 VanDerWaalsContact CD2-CE1 3.43Å; F542-F604 HydrophobicContact CD2-CZ 4.17Å; F542-F604 HydrophobicContact CE2-CE1 4.14Å; F542-F604 AromaticContact CG-CE1 3.84Å; F542-F604 HydrophobicContact CG-CE1 3.84Å; F542-F604 HydrophobicContact CG-CZ 4.14Å; I566-F604 HydrophobicContact CD1-CB 4.44Å; I566-F604 HydrophobicContact CD1-CD1 3.86Å; I566-F604 HydrophobicContact CD1-CG 4.38Å; I566-F604 HydrophobicContact CG2-CB 4.11Å; N570-F604 PolarHBondContact ND2-O 2.85Å; C600-F604 VanDerWaalsContact O-CD2 3.24Å; C600-F604 WeakPolarHBondContact O-CD2 3.21Å; C600-F604 VanDerWaalsContact O-CE2 3.23Å; C600-F604 WeakPolarHBondContact O-CE2 3.48Å; S601-F604 WeakPolarHBondContact O-CB 3.44Å; S601-F604 PolarHBondContact O-N 3.37Å; L602-F604 PolarHBondContact O-N 2.94Å; F604-T641 HydrophobicContact CZ-CG2 4.22Å; F604-V645 HydrophobicContact CD1-CG1 4.38Å; F604-V645 HydrophobicContact CE1-CB 4.44Å; F604-V645 HydrophobicContact CE1-CG1 4.23Å; F604-V645 HydrophobicContact CE1-CG2 3.82Å; F604-V645 HydrophobicContact CZ-CG2 4.2Å; F604-R649 PolarHBondContact O-NH2 3.37Å; F604-R649 VanDerWaalsContact O-NH2 3.12Å |
| 605 | L | 69.9 | Low | 66.8 | Low | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -41.9 | -169.1 | -68.2 | 173.1 | 0 | 0 | 0 | 115.3 | L569 N570 V579 A583 S601 L602 | L569-L605 HydrophobicContact CD2-CD2 3.67Å; L569-L605 HydrophobicContact CG-CD2 3.75Å; N570-L605 PolarHBondContact ND2-O 3.21Å; N570-L605 WeakPolarHBondContact OD1-CA 3.34Å; V579-L605 HydrophobicContact CG1-CD1 4.08Å; V579-L605 HydrophobicContact CG1-CD2 3.64Å; V579-L605 HydrophobicContact CG1-CG 4.47Å; A583-L605 HydrophobicContact CB-CD1 3.94Å; S601-L605 WeakPolarHBondContact O-CG 3.45Å; S601-L605 PolarHBondContact O-N 3.39Å; L602-L605 PolarHBondContact O-N 2.99Å |
| 606 | S | 61.8 | Low | 65.9 | Low | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | trans | -81.9 | 127.3 | -169.1 | -175.3 | 0 | 0 | 0 | 0 | 113.3 | L602 H608 R649 | L602-S606 PolarHBondContact O-N 3.06Å; L602-S606 VanDerWaalsContact O-N 3.11Å; S606-H608 VanDerWaalsContact OG-C 3.23Å; S606-H608 PolarHBondContact OG-N 3.43Å; S606-H608 PolarHBondContact OG-O 3.34Å; S606-R649 PolarHBondContact O-NH1 2.89Å | ||
| 607 | M | 52.9 | Low | 65.5 | Low | 130 Ų | 130 | 40.3 Ų | 40.3 | 64% | 0.64 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -93.5 | -4.3 | 158.1 | -70.1 | -151.1 | -61.1 | 0 | 0 | 113 | ||
| 608 | H | 51.8 | Low | 65 | Low | 78 Ų | 78 | 39.1 Ų | 39.1 | 36% | 0.361 | 21% | 0.214 | S | C | . | . | trans | -133.9 | 75.7 | -169.1 | -59.2 | -35.6 | 0 | 0 | 0 | 110.2 | S606 S610 E611 | S606-H608 VanDerWaalsContact OG-C 3.23Å; S606-H608 PolarHBondContact OG-N 3.43Å; S606-H608 PolarHBondContact OG-O 3.34Å; H608-S610 PolarHBondContact O-N 3.47Å; H608-E611 PolarHBondContact O-N 3.3Å | ||
| 609 | L | 51.3 | Low | 64.7 | Low | 25 Ų | 25 | 40.3 Ų | 40.3 | 13% | 0.131 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -59.9 | -17.7 | -177.9 | -72.5 | 164.2 | 0 | 0 | 0 | 113.7 | E611 L612 F614 F856 | L609-E611 VanDerWaalsContact C-N 3.32Å; L609-E611 PolarHBondContact O-N 3.43Å; L609-L612 HydrophobicContact CD2-CD1 4.31Å; L609-L612 PolarHBondContact O-N 2.99Å; L609-F614 HydrophobicContact CD2-CD1 4.04Å; L609-F614 HydrophobicContact CD2-CE1 3.92Å; L609-F614 HydrophobicContact CD2-CZ 4.45Å; L609-F856 HydrophobicContact CB-CD1 4.47Å; L609-F856 HydrophobicContact CB-CE1 4.27Å; L609-F856 HydrophobicContact CB-CE2 4.32Å; L609-F856 HydrophobicContact CB-CZ 4.19Å; L609-F856 HydrophobicContact CD1-CE1 3.68Å; L609-F856 HydrophobicContact CD1-CE2 4.32Å; L609-F856 HydrophobicContact CD1-CZ 3.51Å; L609-F856 HydrophobicContact CG-CZ 4.49Å |
| 610 | S | 52.6 | Low | 64.6 | Low | 87 Ų | 87 | 41.4 Ų | 41.4 | 61% | 0.608 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -67.5 | -18 | -179.3 | 55.6 | 0 | 0 | 0 | 0 | 116.2 | H608 | H608-S610 PolarHBondContact O-N 3.47Š|
| 611 | E | 47.5 | Very low | 64.6 | Low | 116 Ų | 116 | 41.2 Ų | 41.2 | 54% | 0.542 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -99.6 | -4.5 | 179.8 | -88.7 | 171.7 | -143.5 | 0 | 0 | 114 | R577 H608 L609 | R577-E611 IonicContact CZ-OE1 3.76Å; R577-E611 IonicContact CZ-OE2 2.84Å; R577-E611 IonicContact NH1-OE1 2.71Å; R577-E611 PolarHBondContact NH1-OE1 3.42Å; R577-E611 IonicContact NH1-OE2 3.14Å; R577-E611 PolarHBondContact NH1-OE2 2.78Å; R577-E611 IonicContact NH2-OE1 3.31Å; H608-E611 PolarHBondContact O-N 3.3Å; L609-E611 VanDerWaalsContact C-N 3.32Å; L609-E611 PolarHBondContact O-N 3.43Å |
| 612 | L | 49.3 | Very low | 64.4 | Low | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.131 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -90.4 | 130.8 | 178.1 | -73.2 | 156.6 | 0 | 0 | 0 | 109.6 | I584 L602 L609 F614 | I584-L612 HydrophobicContact CD1-CD2 3.77Å; I584-L612 HydrophobicContact CG1-CD2 3.84Å; L602-L612 HydrophobicContact CD1-CD2 4.11Å; L602-L612 HydrophobicContact CD2-CD2 3.95Å; L609-L612 HydrophobicContact CD2-CD1 4.31Å; L609-L612 PolarHBondContact O-N 2.99Å; L612-F614 HydrophobicContact CB-CB 3.65Å; L612-F614 HydrophobicContact CB-CD2 3.73Å; L612-F614 HydrophobicContact CB-CG 3.95Å; L612-F614 HydrophobicContact CD1-CD2 3.75Å; L612-F614 HydrophobicContact CD1-CE2 3.99Å; L612-F614 HydrophobicContact CD1-CG 4.33Å; L612-F614 HydrophobicContact CD2-CD2 4.18Å; L612-F614 HydrophobicContact CG-CD2 4.09Å; L612-F614 PolarHBondContact O-N 3.41Å |
| 613 | H | 54.4 | Low | 64.4 | Low | 178 Ų | 178 | 44 Ų | 44 | 82% | 0.824 | 24% | 0.242 | S | C | * | . | trans | -70.9 | 60.1 | 157 | -84.5 | -71.2 | 0 | 0 | 0 | 109.3 | T615 G616 | H613-T615 VanDerWaalsContact C-N 3.27Å; H613-T615 PolarHBondContact O-N 2.89Å; H613-G616 PolarHBondContact O-N 2.7Å | ||
| 614 | F | 55.3 | Low | 64.5 | Low | 16 Ų | 16 | 47 Ų | 47 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.6 | -21.1 | -157.8 | -151.7 | -131.6 | 0 | 0 | 0 | 113.1 | L602 P603 L609 L612 G616 G617 I618 L646 | L602-F614 HydrophobicContact CB-CE2 4.05Å; P603-F614 HydrophobicContact CG-CZ 4.39Å; L609-F614 HydrophobicContact CD2-CD1 4.04Å; L609-F614 HydrophobicContact CD2-CE1 3.92Å; L609-F614 HydrophobicContact CD2-CZ 4.45Å; L612-F614 HydrophobicContact CB-CB 3.65Å; L612-F614 HydrophobicContact CB-CD2 3.73Å; L612-F614 HydrophobicContact CB-CG 3.95Å; L612-F614 HydrophobicContact CD1-CD2 3.75Å; L612-F614 HydrophobicContact CD1-CE2 3.99Å; L612-F614 HydrophobicContact CD1-CG 4.33Å; L612-F614 HydrophobicContact CD2-CD2 4.18Å; L612-F614 HydrophobicContact CG-CD2 4.09Å; L612-F614 PolarHBondContact O-N 3.41Å; F614-G616 PolarHBondContact O-N 2.93Å; F614-G617 PolarHBondContact O-N 3.19Å; F614-G617 VanDerWaalsContact O-N 3.09Å; F614-I618 HydrophobicContact CD1-CD1 3.6Å; F614-I618 HydrophobicContact CD1-CG1 3.95Å; F614-I618 HydrophobicContact CE1-CD1 3.85Å; F614-I618 HydrophobicContact CE1-CG1 3.98Å; F614-I618 HydrophobicContact CG-CD1 4.42Å; F614-I618 HydrophobicContact CG-CG1 4.49Å; F614-I618 WeakPolarHBondContact O-CB 3.45Å; F614-I618 WeakPolarHBondContact O-CG1 3.1Å; F614-I618 PolarHBondContact O-N 2.74Å; F614-L646 HydrophobicContact CE1-CD1 3.4Å; F614-L646 HydrophobicContact CE1-CD2 3.44Å; F614-L646 VanDerWaalsContact CE1-CD2 3.44Å; F614-L646 HydrophobicContact CE1-CG 4Å; F614-L646 HydrophobicContact CZ-CD1 3.6Å; F614-L646 HydrophobicContact CZ-CD2 3.65Å; F614-L646 HydrophobicContact CZ-CG 4.21Å |
| 615 | T | 56.2 | Low | 64.3 | Low | 93 Ų | 93 | 47 Ų | 47 | 57% | 0.571 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -52.8 | -37 | 166.6 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | H613 A619 | H613-T615 VanDerWaalsContact C-N 3.27Å; H613-T615 PolarHBondContact O-N 2.89Å; T615-A619 WeakPolarHBondContact O-CB 3.47Å; T615-A619 PolarHBondContact O-N 3.07Å |
| 616 | G | 65.9 | Low | 64 | Low | 36 Ų | 36 | 48.5 Ų | 48.5 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.7 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H613 F614 F620 | H613-G616 PolarHBondContact O-N 2.7Å; F614-G616 PolarHBondContact O-N 2.93Å; G616-F620 WeakPolarHBondContact O-CB 3.49Å; G616-F620 PolarHBondContact O-N 2.97Å; G616-F620 VanDerWaalsContact O-N 3.09Å |
| 617 | G | 71.4 | Confident | 63.8 | Low | 6 Ų | 6 | 54.6 Ų | 54.6 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.7 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F614 F620 L621 | F614-G617 PolarHBondContact O-N 3.19Å; F614-G617 VanDerWaalsContact O-N 3.09Å; G617-F620 PolarHBondContact O-N 2.85Å; G617-L621 WeakPolarHBondContact O-CG 3.31Å; G617-L621 PolarHBondContact O-N 3.44Å |
| 618 | I | 73.2 | Confident | 63.9 | Low | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 174.5 | -68.1 | 174.1 | 0 | 0 | 0 | 110.2 | F614 F620 L621 C622 L643 L646 F847 L851 | F614-I618 HydrophobicContact CD1-CD1 3.6Å; F614-I618 HydrophobicContact CD1-CG1 3.95Å; F614-I618 HydrophobicContact CE1-CD1 3.85Å; F614-I618 HydrophobicContact CE1-CG1 3.98Å; F614-I618 HydrophobicContact CG-CD1 4.42Å; F614-I618 HydrophobicContact CG-CG1 4.49Å; F614-I618 WeakPolarHBondContact O-CB 3.45Å; F614-I618 WeakPolarHBondContact O-CG1 3.1Å; F614-I618 PolarHBondContact O-N 2.74Å; I618-F620 VanDerWaalsContact C-N 3.32Å; I618-F620 PolarHBondContact O-N 3.29Å; I618-L621 PolarHBondContact O-N 3.05Å; I618-L621 VanDerWaalsContact O-N 3.17Å; I618-C622 PolarHBondContact O-N 3.1Å; I618-C622 PolarHBondContact O-SG 3.14Å; I618-L643 HydrophobicContact CG2-CD2 4.37Å; I618-L646 HydrophobicContact CD1-CD1 4.15Å; I618-L646 HydrophobicContact CG1-CD1 3.9Å; I618-F847 HydrophobicContact CD1-CB 4.02Å; I618-F847 HydrophobicContact CD1-CD1 4.24Å; I618-F847 HydrophobicContact CD1-CG 4.09Å; I618-F847 HydrophobicContact CG2-CB 3.94Å; I618-F847 HydrophobicContact CG2-CD2 3.64Å; I618-F847 HydrophobicContact CG2-CE2 4.43Å; I618-F847 HydrophobicContact CG2-CG 3.92Å; I618-L851 HydrophobicContact CD1-CD1 3.87Å |
| 619 | A | 74.1 | Confident | 63.8 | Low | 26 Ų | 26 | 48 Ų | 48 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T615 L621 C622 D623 K844 | T615-A619 WeakPolarHBondContact O-CB 3.47Å; T615-A619 PolarHBondContact O-N 3.07Å; A619-L621 PolarHBondContact O-N 2.92Å; A619-C622 PolarHBondContact O-N 3.46Å; A619-D623 WeakPolarHBondContact O-CB 3.45Å; A619-D623 PolarHBondContact O-N 3.11Å; A619-D623 VanDerWaalsContact O-OD2 3.09Å; A619-K844 HydrophobicContact CB-CD 4.4Å; A619-K844 HydrophobicContact CB-CG 4.48Å |
| 620 | F | 79.1 | Confident | 63.8 | Low | 24 Ų | 24 | 54.3 Ų | 54.3 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 176.9 | -175.2 | -89.9 | 0 | 0 | 0 | 113.4 | F587 R595 L596 A599 G616 G617 I618 R624 | F587-F620 HydrophobicContact CE2-CB 3.97Å; F587-F620 AromaticContact CE2-CD1 3.95Å; F587-F620 HydrophobicContact CE2-CD1 3.95Å; F587-F620 AromaticContact CE2-CG 3.9Å; F587-F620 HydrophobicContact CE2-CG 3.9Å; F587-F620 HydrophobicContact CZ-CB 4.05Å; F587-F620 HydrophobicContact CZ-CG 4.36Å; R595-F620 HydrophobicContact CB-CE1 4.36Å; R595-F620 HydrophobicContact CB-CZ 4.06Å; L596-F620 HydrophobicContact CB-CE1 4.09Å; L596-F620 HydrophobicContact CD1-CE1 4.08Å; A599-F620 HydrophobicContact CB-CD1 4.31Å; G616-F620 WeakPolarHBondContact O-CB 3.49Å; G616-F620 PolarHBondContact O-N 2.97Å; G616-F620 VanDerWaalsContact O-N 3.09Å; G617-F620 PolarHBondContact O-N 2.85Å; I618-F620 VanDerWaalsContact C-N 3.32Å; I618-F620 PolarHBondContact O-N 3.29Å; F620-R624 HydrophobicContact CE1-CG 4.33Å; F620-R624 VanDerWaalsContact O-CG 3.27Å; F620-R624 WeakPolarHBondContact O-CG 3.34Å; F620-R624 PolarHBondContact O-N 2.98Å |
| 621 | L | 79.4 | Confident | 63.8 | Low | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 172.7 | -72.7 | 172.9 | 0 | 0 | 0 | 111.5 | L596 A599 G617 I618 A619 R624 L625 V639 L643 | L596-L621 HydrophobicContact CD1-CD2 4.13Å; A599-L621 HydrophobicContact CB-CD1 4.48Å; A599-L621 HydrophobicContact CB-CD2 3.86Å; A599-L621 HydrophobicContact CB-CG 4.02Å; G617-L621 WeakPolarHBondContact O-CG 3.31Å; G617-L621 PolarHBondContact O-N 3.44Å; I618-L621 PolarHBondContact O-N 3.05Å; I618-L621 VanDerWaalsContact O-N 3.17Å; A619-L621 PolarHBondContact O-N 2.92Å; L621-R624 CarbonylContact O-C 3.6Å; L621-R624 PolarHBondContact O-N 3.33Å; L621-R624 VanDerWaalsContact O-N 3.1Å; L621-L625 PolarHBondContact O-N 2.74Å; L621-L625 VanDerWaalsContact O-N 3.16Å; L621-V639 HydrophobicContact CB-CG1 4.22Å; L621-V639 HydrophobicContact CD2-CG1 4.16Å; L621-V639 HydrophobicContact CD2-CG2 4.14Å; L621-V639 VanDerWaalsContact O-CG1 3.29Å; L621-V639 WeakPolarHBondContact O-CG1 3.42Å; L621-L643 HydrophobicContact CB-CD1 4.37Å; L621-L643 HydrophobicContact CB-CD2 3.95Å; L621-L643 HydrophobicContact CB-CG 4.24Å; L621-L643 HydrophobicContact CD1-CD2 4.05Å; L621-L643 HydrophobicContact CD1-CG 4.47Å |
| 622 | C | 77.8 | Confident | 64.7 | Low | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.5 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | I618 A619 R624 L625 C840 A843 K844 | I618-C622 PolarHBondContact O-N 3.1Å; I618-C622 PolarHBondContact O-SG 3.14Å; A619-C622 PolarHBondContact O-N 3.46Å; C622-R624 PolarHBondContact O-N 2.9Å; C622-R624 VanDerWaalsContact O-N 3.12Å; C622-L625 WeakPolarHBondContact O-CB 3.19Å; C622-L625 PolarHBondContact O-N 3.5Å; C622-C840 PolarHBondContact O-SG 2.83Å; C622-A843 HydrophobicContact CB-CB 4.34Å; C622-K844 HydrophobicContact CB-CG 4.26Å |
| 623 | D | 77.3 | Confident | 65.5 | Low | 68 Ų | 68 | 57.9 Ų | 57.9 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.8 | -28 | 176.2 | -66 | -30.8 | 0 | 0 | 0 | 112.1 | A619 L627 K844 | A619-D623 WeakPolarHBondContact O-CB 3.45Å; A619-D623 PolarHBondContact O-N 3.11Å; A619-D623 VanDerWaalsContact O-OD2 3.09Å; D623-L627 WeakPolarHBondContact O-CD1 3.44Å; D623-L627 WeakPolarHBondContact O-CG 3.48Å; D623-K844 WeakPolarHBondContact OD1-CE 3.22Å; D623-K844 IonicContact OD1-NZ 2.7Å; D623-K844 PolarHBondContact OD1-NZ 3.26Å; D623-K844 IonicContact OD2-NZ 2.65Å |
| 624 | R | 77.6 | Confident | 66 | Low | 63 Ų | 63 | 54.8 Ų | 54.8 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -90.2 | -5.6 | 178 | -69.9 | -73.7 | -178.8 | 173.7 | -2.2 | 114.9 | D592 L596 F620 L621 C622 I626 S628 V639 | D592-R624 IonicContact OD2-NH2 3.21Å; D592-R624 PolarHBondContact OD2-NH2 3.47Å; L596-R624 HydrophobicContact CD1-CB 4.27Å; L596-R624 HydrophobicContact CD1-CG 4.17Å; F620-R624 HydrophobicContact CE1-CG 4.33Å; F620-R624 VanDerWaalsContact O-CG 3.27Å; F620-R624 WeakPolarHBondContact O-CG 3.34Å; F620-R624 PolarHBondContact O-N 2.98Å; L621-R624 CarbonylContact O-C 3.6Å; L621-R624 PolarHBondContact O-N 3.33Å; L621-R624 VanDerWaalsContact O-N 3.1Å; C622-R624 PolarHBondContact O-N 2.9Å; C622-R624 VanDerWaalsContact O-N 3.12Å; R624-I626 PolarHBondContact O-N 3.19Å; R624-S628 PolarHBondContact O-OG 3.48Å; R624-V639 HydrophobicContact CB-CG2 4.42Å |
| 625 | L | 71.2 | Confident | 66.9 | Low | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.8 | 169 | -74.3 | 175.4 | 0 | 0 | 0 | 113.1 | L621 C622 L636 V639 F640 L643 V827 F839 | L621-L625 PolarHBondContact O-N 2.74Å; L621-L625 VanDerWaalsContact O-N 3.16Å; C622-L625 WeakPolarHBondContact O-CB 3.19Å; C622-L625 PolarHBondContact O-N 3.5Å; L625-L636 HydrophobicContact CD2-CD1 4.25Å; L625-L636 WeakPolarHBondContact O-CD1 3.37Å; L625-V639 HydrophobicContact CD2-CB 4.43Å; L625-V639 HydrophobicContact CD2-CG1 3.62Å; L625-V639 HydrophobicContact CG-CG1 3.94Å; L625-F640 HydrophobicContact CD2-CB 4.29Å; L625-F640 HydrophobicContact CD2-CD2 3.82Å; L625-L643 HydrophobicContact CD1-CD1 3.67Å; L625-L643 HydrophobicContact CD2-CD1 4.19Å; L625-L643 HydrophobicContact CG-CD1 4.02Å; L625-V827 WeakPolarHBondContact O-CG1 3.43Å; L625-F839 HydrophobicContact CD1-CE1 4.22Å |
| 626 | I | 63.1 | Low | 67.7 | Low | 34 Ų | 34 | 52.4 Ų | 52.4 | 17% | 0.174 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -32.9 | -163 | -63.8 | -174.4 | 0 | 0 | 0 | 112.5 | R624 S628 A836 F839 C840 | R624-I626 PolarHBondContact O-N 3.19Å; I626-S628 PolarHBondContact O-N 3Å; I626-S628 VanDerWaalsContact O-N 3.09Å; I626-A836 HydrophobicContact CD1-CB 4.03Å; I626-A836 WeakPolarHBondContact CD1-O 3.43Å; I626-A836 HydrophobicContact CG2-CB 3.67Å; I626-F839 HydrophobicContact CD1-CD1 4.22Å; I626-C840 HydrophobicContact CD1-CB 3.76Å |
| 627 | L | 58.2 | Low | 68.1 | Low | 132 Ų | 132 | 52.6 Ų | 52.6 | 69% | 0.691 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 10.6 | -176.7 | -66.4 | 171.4 | 0 | 0 | 0 | 114.7 | D623 | D623-L627 WeakPolarHBondContact O-CD1 3.44Å; D623-L627 WeakPolarHBondContact O-CG 3.48Å |
| 628 | S | 55 | Low | 68.3 | Low | 24 Ų | 24 | 53.5 Ų | 53.5 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | 17.6 | -166.4 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | R624 I626 D630 | R624-S628 PolarHBondContact O-OG 3.48Å; I626-S628 PolarHBondContact O-N 3Å; I626-S628 VanDerWaalsContact O-N 3.09Å; S628-D630 VanDerWaalsContact C-N 3.29Å; S628-D630 PolarHBondContact O-N 3.43Å; S628-D630 VanDerWaalsContact O-N 3.09Å |
| 629 | A | 50.6 | Low | 68.6 | Low | 45 Ų | 45 | 53.3 Ų | 53.3 | 37% | 0.372 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31.7 | -168 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 630 | D | 51.1 | Low | 68.8 | Low | 158 Ų | 158 | 52.1 Ų | 52.1 | 85% | 0.845 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -33.1 | -170.1 | -71 | -49.8 | 0 | 0 | 0 | 115.9 | S628 | S628-D630 VanDerWaalsContact C-N 3.29Å; S628-D630 PolarHBondContact O-N 3.43Å; S628-D630 VanDerWaalsContact O-N 3.09Å |
| 631 | D | 52.3 | Low | 68.7 | Low | 162 Ų | 162 | 51.4 Ų | 51.4 | 87% | 0.866 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -16.1 | -158.6 | -90.3 | -40.5 | 0 | 0 | 0 | 118.1 | ||
| 632 | D | 65.7 | Low | 68.7 | Low | 63 Ų | 63 | 51.4 Ų | 51.4 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | trans | -145.8 | 88.6 | -175.1 | -163.5 | -17.7 | 0 | 0 | 0 | 114.6 | E634 Q635 L636 | D632-E634 PolarHBondContact OD1-N 2.95Å; D632-Q635 HydrophobicContact CB-CB 3.95Å; D632-Q635 WeakPolarHBondContact OD1-CB 3.31Å; D632-Q635 PolarHBondContact OD1-N 3.38Å; D632-Q635 VanDerWaalsContact OD2-CB 3.24Å; D632-Q635 WeakPolarHBondContact OD2-CB 3.5Å; D632-Q635 PolarHBondContact OD2-NE2 3.23Å; D632-L636 PolarHBondContact O-N 3.25Å | ||
| 633 | V | 66.3 | Low | 68.8 | Low | 79 Ų | 79 | 51.4 Ų | 51.4 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71 | -30.3 | 178.6 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | L636 Q637 F820 V824 | V633-L636 PolarHBondContact O-N 2.86Å; V633-Q637 PolarHBondContact O-N 3.12Å; V633-F820 HydrophobicContact CG1-CE1 4.25Å; V633-V824 HydrophobicContact CG1-CG2 4.1Å |
| 634 | E | 65.7 | Low | 68.9 | Low | 112 Ų | 112 | 48.2 Ų | 48.2 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.2 | -40.1 | 178.6 | -61.5 | -140.1 | 119.4 | 0 | 0 | 111.1 | K543 D632 L636 Q637 D638 | K543-E634 IonicContact NZ-OE1 3.23Å; K543-E634 PolarHBondContact NZ-OE1 3.17Å; D632-E634 PolarHBondContact OD1-N 2.95Å; E634-L636 VanDerWaalsContact C-N 3.33Å; E634-L636 PolarHBondContact O-N 3.24Å; E634-Q637 WeakPolarHBondContact O-CA 3.22Å; E634-Q637 VanDerWaalsContact O-CB 3.31Å; E634-Q637 WeakPolarHBondContact O-CB 3.49Å; E634-Q637 PolarHBondContact O-N 3.47Å; E634-Q637 VanDerWaalsContact O-N 3.12Å; E634-D638 PolarHBondContact O-N 3.1Å |
| 635 | Q | 73.6 | Confident | 68.8 | Low | 48 Ų | 48 | 45.3 Ų | 45.3 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 174.8 | -170.8 | 177.9 | 137.4 | 0 | 0 | 112.2 | L596 D632 Q637 D638 V639 | L596-Q635 VanDerWaalsContact CD2-CD 3.49Å; L596-Q635 HydrophobicContact CD2-CG 3.59Å; D632-Q635 HydrophobicContact CB-CB 3.95Å; D632-Q635 WeakPolarHBondContact OD1-CB 3.31Å; D632-Q635 PolarHBondContact OD1-N 3.38Å; D632-Q635 VanDerWaalsContact OD2-CB 3.24Å; D632-Q635 WeakPolarHBondContact OD2-CB 3.5Å; D632-Q635 PolarHBondContact OD2-NE2 3.23Å; Q635-Q637 VanDerWaalsContact C-N 3.33Å; Q635-D638 PolarHBondContact O-N 2.78Å; Q635-V639 WeakPolarHBondContact O-CG2 3.31Å; Q635-V639 PolarHBondContact O-N 2.63Å; Q635-V639 VanDerWaalsContact O-N 3.08Å |
| 636 | L | 74 | Confident | 69 | Low | 11 Ų | 11 | 45.4 Ų | 45.4 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 171.2 | -169 | 74.7 | 0 | 0 | 0 | 111.5 | L625 D632 V633 E634 V639 F640 V824 V827 | L625-L636 HydrophobicContact CD2-CD1 4.25Å; L625-L636 WeakPolarHBondContact O-CD1 3.37Å; D632-L636 PolarHBondContact O-N 3.25Å; V633-L636 PolarHBondContact O-N 2.86Å; E634-L636 VanDerWaalsContact C-N 3.33Å; E634-L636 PolarHBondContact O-N 3.24Å; L636-V639 PolarHBondContact O-N 3.49Å; L636-F640 PolarHBondContact O-N 3.04Å; L636-V824 HydrophobicContact CD2-CG2 4.29Å; L636-V827 HydrophobicContact CD1-CG1 4.21Å; L636-V827 HydrophobicContact CD2-CB 4.32Å; L636-V827 HydrophobicContact CD2-CG1 4.22Å; L636-V827 HydrophobicContact CD2-CG2 4.47Å |
| 637 | Q | 73.9 | Confident | 69.6 | Low | 40 Ų | 40 | 44.2 Ų | 44.2 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.5 | -168.7 | 176.6 | 36.4 | 0 | 0 | 111.8 | V633 E634 Q635 F640 T641 F820 | V633-Q637 PolarHBondContact O-N 3.12Å; E634-Q637 WeakPolarHBondContact O-CA 3.22Å; E634-Q637 VanDerWaalsContact O-CB 3.31Å; E634-Q637 WeakPolarHBondContact O-CB 3.49Å; E634-Q637 PolarHBondContact O-N 3.47Å; E634-Q637 VanDerWaalsContact O-N 3.12Å; Q635-Q637 VanDerWaalsContact C-N 3.33Å; Q637-F640 PolarHBondContact O-N 2.94Å; Q637-T641 WeakPolarHBondContact O-CB 3.44Å; Q637-T641 PolarHBondContact O-N 3.18Å; Q637-T641 PolarHBondContact O-OG1 2.89Å; Q637-F820 HydrophobicContact CB-CD1 4.49Å; Q637-F820 HydrophobicContact CB-CE1 3.69Å; Q637-F820 HydrophobicContact CB-CE2 4Å; Q637-F820 HydrophobicContact CB-CZ 3.42Å; Q637-F820 VanDerWaalsContact CB-CZ 3.42Å; Q637-F820 HydrophobicContact CG-CD1 4.14Å; Q637-F820 HydrophobicContact CG-CD2 4.24Å; Q637-F820 HydrophobicContact CG-CE1 3.82Å; Q637-F820 HydrophobicContact CG-CE2 3.95Å; Q637-F820 HydrophobicContact CG-CG 4.36Å; Q637-F820 HydrophobicContact CG-CZ 3.75Å |
| 638 | D | 74.4 | Confident | 70.2 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 178.7 | -85.8 | 13 | 0 | 0 | 0 | 112 | S539 E634 Q635 S642 | S539-D638 VanDerWaalsContact CB-OD1 3.24Å; S539-D638 WeakPolarHBondContact CB-OD1 3.35Å; S539-D638 WeakPolarHBondContact CB-OD2 3.49Å; S539-D638 VanDerWaalsContact OG-CG 3.29Å; S539-D638 PolarHBondContact OG-OD1 3.17Å; S539-D638 PolarHBondContact OG-OD2 3.23Å; E634-D638 PolarHBondContact O-N 3.1Å; Q635-D638 PolarHBondContact O-N 2.78Å; D638-S642 WeakPolarHBondContact O-CB 3.48Å; D638-S642 PolarHBondContact O-N 3.24Å; D638-S642 PolarHBondContact O-OG 2.61Å |
| 639 | V | 79.4 | Confident | 70.7 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | L596 L621 R624 L625 Q635 L636 S642 L643 | L596-V639 HydrophobicContact CD1-CG2 3.79Å; L621-V639 HydrophobicContact CB-CG1 4.22Å; L621-V639 HydrophobicContact CD2-CG1 4.16Å; L621-V639 HydrophobicContact CD2-CG2 4.14Å; L621-V639 VanDerWaalsContact O-CG1 3.29Å; L621-V639 WeakPolarHBondContact O-CG1 3.42Å; R624-V639 HydrophobicContact CB-CG2 4.42Å; L625-V639 HydrophobicContact CD2-CB 4.43Å; L625-V639 HydrophobicContact CD2-CG1 3.62Å; L625-V639 HydrophobicContact CG-CG1 3.94Å; Q635-V639 WeakPolarHBondContact O-CG2 3.31Å; Q635-V639 PolarHBondContact O-N 2.63Å; Q635-V639 VanDerWaalsContact O-N 3.08Å; L636-V639 PolarHBondContact O-N 3.49Å; V639-S642 WeakPolarHBondContact O-CB 3.37Å; V639-S642 PolarHBondContact O-N 3.37Å; V639-L643 HydrophobicContact CG1-CD1 4.26Å; V639-L643 WeakPolarHBondContact O-CG 3.22Å; V639-L643 PolarHBondContact O-N 3.45Å |
| 640 | F | 79.2 | Confident | 71.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.1 | -36.1 | -178.8 | -156.1 | -74.8 | 0 | 0 | 0 | 112.1 | L625 L636 Q637 S642 L643 S644 L812 F813 H816 I823 | L625-F640 HydrophobicContact CD2-CB 4.29Å; L625-F640 HydrophobicContact CD2-CD2 3.82Å; L636-F640 PolarHBondContact O-N 3.04Å; Q637-F640 PolarHBondContact O-N 2.94Å; F640-S642 VanDerWaalsContact C-N 3.3Å; F640-S642 PolarHBondContact O-N 3.02Å; F640-L643 PolarHBondContact O-N 3.3Å; F640-S644 WeakPolarHBondContact CD1-OG 3.23Å; F640-S644 WeakPolarHBondContact CE1-OG 3.46Å; F640-S644 WeakPolarHBondContact O-CB 3.39Å; F640-S644 PolarHBondContact O-N 2.64Å; F640-S644 PolarHBondContact O-OG 2.84Å; F640-L812 HydrophobicContact CZ-CB 3.96Å; F640-F813 HydrophobicContact CD1-CD1 4.24Å; F640-F813 HydrophobicContact CD1-CE1 4.25Å; F640-F813 AromaticContact CE1-CD1 3.4Å; F640-F813 HydrophobicContact CE1-CD1 3.4Å; F640-F813 AromaticContact CE1-CE1 3.61Å; F640-F813 HydrophobicContact CE1-CE1 3.61Å; F640-F813 HydrophobicContact CE1-CG 4.46Å; F640-F813 HydrophobicContact CE2-CE1 4.1Å; F640-F813 AromaticContact CZ-CD1 3.62Å; F640-F813 HydrophobicContact CZ-CD1 3.62Å; F640-F813 AromaticContact CZ-CE1 3.51Å; F640-F813 HydrophobicContact CZ-CE1 3.51Å; F640-F813 HydrophobicContact CZ-CZ 4.38Å; F640-H816 HydrophobicContact CD1-CB 4.34Å; F640-H816 AromaticContact CD1-CD2 3.44Å; F640-H816 VanDerWaalsContact CD1-CD2 3.44Å; F640-H816 WeakPolarHBondContact CD1-CD2 3.3Å; F640-H816 HydrophobicContact CE1-CB 4.17Å; F640-I823 HydrophobicContact CB-CG2 4.35Å; F640-I823 HydrophobicContact CD1-CD1 3.89Å; F640-I823 HydrophobicContact CD1-CG2 4.07Å; F640-I823 HydrophobicContact CD2-CG2 3.52Å; F640-I823 HydrophobicContact CE1-CD1 3.6Å; F640-I823 HydrophobicContact CE1-CG1 4.35Å; F640-I823 HydrophobicContact CE1-CG2 4.28Å; F640-I823 HydrophobicContact CE2-CG2 3.76Å; F640-I823 HydrophobicContact CG-CG2 3.7Å; F640-I823 HydrophobicContact CZ-CD1 4.09Å; F640-I823 HydrophobicContact CZ-CG1 4.37Å; F640-I823 HydrophobicContact CZ-CG2 4.14Å |
| 641 | T | 76.8 | Confident | 71.8 | Confident | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 171.1 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | F542 F604 Q637 L643 S644 V645 H816 | F542-T641 HydrophobicContact CD1-CG2 3.52Å; F542-T641 HydrophobicContact CE1-CG2 3.61Å; F542-T641 HydrophobicContact CG-CG2 4.19Å; F542-T641 HydrophobicContact CZ-CG2 4.31Å; F604-T641 HydrophobicContact CZ-CG2 4.22Å; Q637-T641 WeakPolarHBondContact O-CB 3.44Å; Q637-T641 PolarHBondContact O-N 3.18Å; Q637-T641 PolarHBondContact O-OG1 2.89Å; T641-L643 PolarHBondContact O-N 2.74Å; T641-S644 WeakPolarHBondContact O-CB 3.11Å; T641-S644 PolarHBondContact O-N 2.85Å; T641-V645 WeakPolarHBondContact O-CG2 3.19Å; T641-V645 PolarHBondContact O-N 3.49Å; T641-H816 WeakPolarHBondContact CA-NE2 3.27Å; T641-H816 WeakPolarHBondContact CB-NE2 3.44Å; T641-H816 VanDerWaalsContact CG2-NE2 3.26Å; T641-H816 WeakPolarHBondContact CG2-NE2 3.46Å; T641-H816 PolarHBondContact OG1-NE2 3.07Å |
| 642 | S | 79.8 | Confident | 71.9 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 178.5 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | C600 D638 V639 F640 V645 L646 | C600-S642 VanDerWaalsContact CA-OG 3.23Å; C600-S642 WeakPolarHBondContact CA-OG 3.37Å; C600-S642 VanDerWaalsContact CB-OG 3.31Å; C600-S642 WeakPolarHBondContact CB-OG 3.46Å; C600-S642 PolarHBondContact O-OG 3.11Å; D638-S642 WeakPolarHBondContact O-CB 3.48Å; D638-S642 PolarHBondContact O-N 3.24Å; D638-S642 PolarHBondContact O-OG 2.61Å; V639-S642 WeakPolarHBondContact O-CB 3.37Å; V639-S642 PolarHBondContact O-N 3.37Å; F640-S642 VanDerWaalsContact C-N 3.3Å; F640-S642 PolarHBondContact O-N 3.02Å; S642-V645 PolarHBondContact O-N 3.08Å; S642-L646 WeakPolarHBondContact O-CG 3.42Å; S642-L646 PolarHBondContact O-N 3.38Å |
| 643 | L | 79.7 | Confident | 70.7 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67 | -36.7 | 176.1 | -67.3 | 172.2 | 0 | 0 | 0 | 112.7 | I618 L621 L625 V639 F640 T641 L646 Y647 F813 F847 | I618-L643 HydrophobicContact CG2-CD2 4.37Å; L621-L643 HydrophobicContact CB-CD1 4.37Å; L621-L643 HydrophobicContact CB-CD2 3.95Å; L621-L643 HydrophobicContact CB-CG 4.24Å; L621-L643 HydrophobicContact CD1-CD2 4.05Å; L621-L643 HydrophobicContact CD1-CG 4.47Å; L625-L643 HydrophobicContact CD1-CD1 3.67Å; L625-L643 HydrophobicContact CD2-CD1 4.19Å; L625-L643 HydrophobicContact CG-CD1 4.02Å; V639-L643 HydrophobicContact CG1-CD1 4.26Å; V639-L643 WeakPolarHBondContact O-CG 3.22Å; V639-L643 PolarHBondContact O-N 3.45Å; F640-L643 PolarHBondContact O-N 3.3Å; T641-L643 PolarHBondContact O-N 2.74Å; L643-L646 HydrophobicContact CD2-CD1 4.43Å; L643-L646 WeakPolarHBondContact O-CB 3.19Å; L643-L646 PolarHBondContact O-N 2.98Å; L643-Y647 PolarHBondContact O-N 3.08Å; L643-F813 HydrophobicContact CB-CE1 3.81Å; L643-F813 HydrophobicContact CB-CZ 4.19Å; L643-F847 HydrophobicContact CB-CE2 4.44Å; L643-F847 HydrophobicContact CB-CZ 4.29Å; L643-F847 HydrophobicContact CD2-CE2 3.88Å; L643-F847 HydrophobicContact CD2-CZ 4.23Å |
| 644 | S | 79 | Confident | 69.3 | Low | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 175.4 | -58 | 0 | 0 | 0 | 0 | 111.5 | F640 T641 L646 Y647 H648 F813 | F640-S644 WeakPolarHBondContact CD1-OG 3.23Å; F640-S644 WeakPolarHBondContact CE1-OG 3.46Å; F640-S644 WeakPolarHBondContact O-CB 3.39Å; F640-S644 PolarHBondContact O-N 2.64Å; F640-S644 PolarHBondContact O-OG 2.84Å; T641-S644 WeakPolarHBondContact O-CB 3.11Å; T641-S644 PolarHBondContact O-N 2.85Å; S644-L646 PolarHBondContact O-N 3.45Å; S644-Y647 PolarHBondContact O-N 3.39Å; S644-H648 PolarHBondContact O-CD2 3.1Å; S644-H648 PolarHBondContact O-N 2.97Å; S644-F813 WeakPolarHBondContact OG-CD1 3.39Å |
| 645 | V | 75.4 | Confident | 67.7 | Low | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -34.4 | 177.5 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | F542 P603 F604 T641 S642 R649 F817 | F542-V645 HydrophobicContact CE2-CG2 4.04Å; F542-V645 HydrophobicContact CZ-CG2 4.32Å; P603-V645 HydrophobicContact CB-CB 4.45Å; P603-V645 HydrophobicContact CB-CG1 4.16Å; F604-V645 HydrophobicContact CD1-CG1 4.38Å; F604-V645 HydrophobicContact CE1-CB 4.44Å; F604-V645 HydrophobicContact CE1-CG1 4.23Å; F604-V645 HydrophobicContact CE1-CG2 3.82Å; F604-V645 HydrophobicContact CZ-CG2 4.2Å; T641-V645 WeakPolarHBondContact O-CG2 3.19Å; T641-V645 PolarHBondContact O-N 3.49Å; S642-V645 PolarHBondContact O-N 3.08Å; V645-R649 WeakPolarHBondContact O-CB 3.29Å; V645-R649 WeakPolarHBondContact O-CD 3.47Å; V645-R649 WeakPolarHBondContact O-CG 3.19Å; V645-R649 PolarHBondContact O-N 3.39Å; V645-R649 VanDerWaalsContact O-N 3.14Å; V645-F817 HydrophobicContact CG2-CZ 4.47Å |
| 646 | L | 75.3 | Confident | 65.7 | Low | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.1 | -48.3 | 171.6 | -66 | 179 | 0 | 0 | 0 | 113 | P603 F614 I618 S642 L643 S644 H648 R649 V650 F847 | P603-L646 HydrophobicContact CB-CD2 3.66Å; P603-L646 HydrophobicContact CB-CG 3.83Å; P603-L646 HydrophobicContact CG-CD1 3.91Å; P603-L646 HydrophobicContact CG-CD2 3.83Å; P603-L646 HydrophobicContact CG-CG 3.72Å; F614-L646 HydrophobicContact CE1-CD1 3.4Å; F614-L646 HydrophobicContact CE1-CD2 3.44Å; F614-L646 VanDerWaalsContact CE1-CD2 3.44Å; F614-L646 HydrophobicContact CE1-CG 4Å; F614-L646 HydrophobicContact CZ-CD1 3.6Å; F614-L646 HydrophobicContact CZ-CD2 3.65Å; F614-L646 HydrophobicContact CZ-CG 4.21Å; I618-L646 HydrophobicContact CD1-CD1 4.15Å; I618-L646 HydrophobicContact CG1-CD1 3.9Å; S642-L646 WeakPolarHBondContact O-CG 3.42Å; S642-L646 PolarHBondContact O-N 3.38Å; L643-L646 HydrophobicContact CD2-CD1 4.43Å; L643-L646 WeakPolarHBondContact O-CB 3.19Å; L643-L646 PolarHBondContact O-N 2.98Å; S644-L646 PolarHBondContact O-N 3.45Å; L646-H648 VanDerWaalsContact C-N 3.33Å; L646-H648 PolarHBondContact O-N 3.45Å; L646-R649 PolarHBondContact O-N 2.98Å; L646-R649 VanDerWaalsContact O-N 3.12Å; L646-V650 WeakPolarHBondContact O-CG2 3.48Å; L646-V650 PolarHBondContact O-N 3.46Å; L646-F847 HydrophobicContact CB-CE1 4.02Å |
| 647 | Y | 75.3 | Confident | 63.7 | Low | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55 | -49.2 | 179.2 | 173.4 | -90.1 | 0 | 0 | 0 | 110.9 | L643 S644 R649 V650 C651 E810 F813 K814 | L643-Y647 PolarHBondContact O-N 3.08Å; S644-Y647 PolarHBondContact O-N 3.39Å; Y647-R649 PolarHBondContact O-N 3.38Å; Y647-V650 PolarHBondContact O-N 2.77Å; Y647-C651 HydrophobicContact CE1-CB 4.19Å; Y647-C651 VanDerWaalsContact CE2-SG 3.56Å; Y647-C651 VanDerWaalsContact CZ-SG 3.58Å; Y647-C651 VanDerWaalsContact O-CB 3.3Å; Y647-C651 WeakPolarHBondContact O-CB 3.42Å; Y647-C651 PolarHBondContact O-N 2.88Å; Y647-C651 PolarHBondContact O-SG 3.49Å; Y647-E810 HydrophobicContact CE2-CB 4.38Å; Y647-E810 HydrophobicContact CE2-CG 3.97Å; Y647-E810 WeakPolarHBondContact CE2-OE1 3.47Å; Y647-E810 PolarHBondContact OH-OE1 3.22Å; Y647-E810 PolarHBondContact OH-OE2 3.26Å; Y647-F813 HydrophobicContact CD1-CB 3.56Å; Y647-F813 HydrophobicContact CD1-CD2 4.28Å; Y647-F813 HydrophobicContact CD1-CG 4.23Å; Y647-F813 HydrophobicContact CD2-CB 4.45Å; Y647-F813 AromaticContact CD2-CD2 3.63Å; Y647-F813 HydrophobicContact CD2-CD2 3.63Å; Y647-F813 HydrophobicContact CD2-CE2 4.3Å; Y647-F813 HydrophobicContact CD2-CG 4.36Å; Y647-F813 HydrophobicContact CE1-CB 4.16Å; Y647-F813 HydrophobicContact CE2-CD2 4.33Å; Y647-F813 HydrophobicContact CG-CB 3.75Å; Y647-F813 AromaticContact CG-CD2 3.62Å; Y647-F813 HydrophobicContact CG-CD2 3.62Å; Y647-F813 HydrophobicContact CG-CE2 4.48Å; Y647-F813 AromaticContact CG-CG 3.89Å; Y647-F813 HydrophobicContact CG-CG 3.89Å; Y647-K814 HydrophobicContact CE1-CG 4.32Å; Y647-K814 WeakPolarHBondContact OH-CE 3.32Å; Y647-K814 PolarHBondContact OH-NZ 2.77Å |
| 648 | H | 71.5 | Confident | 61.6 | Low | 39 Ų | 39 | 46.9 Ų | 46.9 | 18% | 0.181 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 177 | -73.2 | -69.3 | 0 | 0 | 0 | 112.8 | S644 L646 V650 C651 R652 F813 K814 F817 W867 | S644-H648 PolarHBondContact O-CD2 3.1Å; S644-H648 PolarHBondContact O-N 2.97Å; L646-H648 VanDerWaalsContact C-N 3.33Å; L646-H648 PolarHBondContact O-N 3.45Å; H648-V650 VanDerWaalsContact C-N 3.26Å; H648-V650 PolarHBondContact O-N 3.45Å; H648-C651 PolarHBondContact O-N 3.25Å; H648-C651 VanDerWaalsContact O-N 3.16Å; H648-R652 WeakPolarHBondContact O-CG 3.48Å; H648-R652 PolarHBondContact O-N 2.71Å; H648-F813 PolarHBondContact NE2-O 3.36Å; H648-K814 VanDerWaalsContact CE1-CA 3.49Å; H648-K814 WeakPolarHBondContact CE1-CA 3.36Å; H648-F817 AromaticContact CD2-CE2 3.79Å; H648-F817 AromaticContact NE2-CD2 3.99Å; H648-F817 AromaticContact NE2-CE2 3.58Å; H648-W867 HydrophobicContact CB-CH2 3.36Å; H648-W867 HydrophobicContact CB-CZ2 3.86Å; H648-W867 HydrophobicContact CB-CZ3 3.72Å; H648-W867 AromaticContact CG-CH2 3.98Å; H648-W867 AromaticContact CG-CZ3 3.84Å |
| 649 | R | 66.1 | Low | 59.5 | Low | 43 Ų | 43 | 51.9 Ų | 51.9 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -26.7 | 174.4 | -80.7 | 172.6 | 166.4 | -145.4 | 2.4 | 113.8 | P603 F604 S606 V645 L646 Y647 W863 | P603-R649 PolarHBondContact O-NE 2.94Å; P603-R649 PolarHBondContact O-NH1 2.73Å; P603-R649 PolarHBondContact O-NH2 2.95Å; F604-R649 PolarHBondContact O-NH2 3.37Å; F604-R649 VanDerWaalsContact O-NH2 3.12Å; S606-R649 PolarHBondContact O-NH1 2.89Å; V645-R649 WeakPolarHBondContact O-CB 3.29Å; V645-R649 WeakPolarHBondContact O-CD 3.47Å; V645-R649 WeakPolarHBondContact O-CG 3.19Å; V645-R649 PolarHBondContact O-N 3.39Å; V645-R649 VanDerWaalsContact O-N 3.14Å; L646-R649 PolarHBondContact O-N 2.98Å; L646-R649 VanDerWaalsContact O-N 3.12Å; Y647-R649 PolarHBondContact O-N 3.38Å; R649-W863 HydrophobicContact CG-CZ2 4.48Å; R649-W863 VanDerWaalsContact NE-CZ2 3.26Å; R649-W863 VanDerWaalsContact NH2-CH2 3.27Å |
| 650 | V | 64.8 | Low | 57.4 | Low | 12 Ų | 12 | 59 Ų | 59 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -87.2 | -23.4 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | L646 Y647 H648 K850 L851 | L646-V650 WeakPolarHBondContact O-CG2 3.48Å; L646-V650 PolarHBondContact O-N 3.46Å; Y647-V650 PolarHBondContact O-N 2.77Å; H648-V650 VanDerWaalsContact C-N 3.26Å; H648-V650 PolarHBondContact O-N 3.45Å; V650-K850 HydrophobicContact CG1-CB 3.64Å; V650-K850 HydrophobicContact CG1-CD 4.34Å; V650-L851 HydrophobicContact CG2-CD2 4.18Å |
| 651 | C | 59.8 | Low | 55.4 | Low | 29 Ų | 29 | 68 Ų | 68 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -108.9 | -10.4 | -170.9 | -60 | 0 | 0 | 0 | 0 | 116.6 | Y647 H648 T653 G654 K850 | Y647-C651 HydrophobicContact CE1-CB 4.19Å; Y647-C651 VanDerWaalsContact CE2-SG 3.56Å; Y647-C651 VanDerWaalsContact CZ-SG 3.58Å; Y647-C651 VanDerWaalsContact O-CB 3.3Å; Y647-C651 WeakPolarHBondContact O-CB 3.42Å; Y647-C651 PolarHBondContact O-N 2.88Å; Y647-C651 PolarHBondContact O-SG 3.49Å; H648-C651 PolarHBondContact O-N 3.25Å; H648-C651 VanDerWaalsContact O-N 3.16Å; C651-T653 PolarHBondContact O-N 3.37Å; C651-G654 PolarHBondContact O-N 2.89Å; C651-K850 PolarHBondContact SG-NZ 3.49Å; C651-K850 VanDerWaalsContact SG-NZ 3.4Å |
| 652 | R | 53.4 | Low | 53.9 | Low | 74 Ų | 74 | 72 Ų | 72 | 28% | 0.279 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 21.2 | 174.2 | -78.4 | -161.5 | -173.7 | 164 | -13.5 | 115.1 | Y563 H648 W863 W867 | Y563-R652 PolarHBondContact OH-NH2 3.04Å; Y563-R652 VanDerWaalsContact OH-NH2 3.16Å; H648-R652 WeakPolarHBondContact O-CG 3.48Å; H648-R652 PolarHBondContact O-N 2.71Å; R652-W863 PolarHBondContact NH1-O 3.02Å; R652-W867 HydrophobicContact CG-CD2 4.39Å; R652-W867 HydrophobicContact CG-CG 4.46Å; R652-W867 VanDerWaalsContact CZ-CB 3.41Å; R652-W867 VanDerWaalsContact NH1-CG 3.27Å; R652-W867 PolarHBondContact NH1-O 3.29Å; R652-W867 VanDerWaalsContact NH2-CD1 3.29Å; R652-W867 VanDerWaalsContact NH2-CE3 3.27Å; R652-W867 PolarHBondContact NH2-O 3.47Å |
| 653 | T | 42.1 | Very low | 52.3 | Low | 92 Ų | 92 | 79.4 Ų | 79.4 | 56% | 0.564 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.9 | 10.3 | 179.3 | 45.3 | 0 | 0 | 0 | 0 | 113.7 | C651 Y854 | C651-T653 PolarHBondContact O-N 3.37Å; T653-Y854 WeakPolarHBondContact CB-OH 3.5Å; T653-Y854 PolarHBondContact OG1-OH 3.31Å |
| 654 | G | 36.8 | Very low | 51.1 | Low | 68 Ų | 68 | 87.6 Ų | 87.6 | 70% | 0.701 | 47% | 0.469 | S | S | * | . | trans | -99.1 | 96.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | C651 | C651-G654 PolarHBondContact O-N 2.89Š| ||
| 655 | D | 31.1 | Very low | 50.1 | Low | 144 Ų | 144 | 93.7 Ų | 93.7 | 77% | 0.77 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 163.1 | 175.3 | -128.9 | -40.1 | 0 | 0 | 0 | 111.9 | T657 | D655-T657 PolarHBondContact O-N 2.78Š|
| 656 | N | 32.8 | Very low | 49.6 | Very low | 148 Ų | 148 | 100.8 Ų | 100.8 | 79% | 0.791 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 127.9 | -170.3 | -57.2 | -84.5 | 0 | 0 | 0 | 112.7 | ||
| 657 | T | 31.8 | Very low | 49.7 | Very low | 135 Ų | 135 | 103.4 Ų | 103.4 | 83% | 0.828 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 119.1 | 165.8 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | D655 | D655-T657 PolarHBondContact O-N 2.78Š|
| 658 | D | 29 | Very low | 49.9 | Very low | 147 Ų | 147 | 106.7 Ų | 106.7 | 79% | 0.786 | 58% | 0.576 | S | S | * | * | trans | -45 | 148.6 | -173.2 | -54.9 | -71.5 | 0 | 0 | 0 | 116.5 | E660 | D658-E660 PolarHBondContact O-N 2.88Š| ||
| 659 | C | 30.7 | Very low | 50.3 | Low | 131 Ų | 131 | 106.7 Ų | 106.7 | 89% | 0.885 | 58% | 0.575 | S | S | * | * | trans | -73 | 108.1 | 163.6 | -60.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 660 | E | 35.9 | Very low | 50.5 | Low | 149 Ų | 149 | 106.7 Ų | 106.7 | 70% | 0.696 | 58% | 0.581 | S | S | * | * | trans | -62 | 133.3 | 168.5 | -61.4 | -180 | 127.9 | 0 | 0 | 110.4 | D658 E662 K778 | D658-E660 PolarHBondContact O-N 2.88Å; E660-E662 PolarHBondContact O-N 2.81Å; E660-K778 IonicContact OE2-NZ 3.85Å; E660-K778 PolarHBondContact OE2-NZ 3.05Å | ||
| 661 | E | 36.4 | Very low | 50.8 | Low | 192 Ų | 192 | 115.1 Ų | 115.1 | 90% | 0.897 | 62% | 0.619 | S | S | * | * | trans | -75.7 | 94.1 | 175.3 | -68.1 | -169.6 | 140.4 | 0 | 0 | 110.4 | Q663 | E661-Q663 PolarHBondContact O-N 2.89Š| ||
| 662 | E | 46.1 | Very low | 51.3 | Low | 92 Ų | 92 | 121 Ų | 121 | 43% | 0.43 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 118.6 | -175.7 | -66.1 | -179.9 | 159.5 | 0 | 0 | 112.2 | E660 Q664 Y744 K778 | E660-E662 PolarHBondContact O-N 2.81Å; E662-Q664 PolarHBondContact O-N 3.36Å; E662-Y744 HydrophobicContact CB-CD1 4.36Å; E662-Y744 HydrophobicContact CG-CE1 4.24Å; E662-Y744 WeakPolarHBondContact OE1-CE1 3.26Å; E662-Y744 WeakPolarHBondContact OE2-CD1 3.4Å; E662-Y744 VanDerWaalsContact OE2-CE1 3.31Å; E662-Y744 WeakPolarHBondContact OE2-CE1 3.31Å; E662-K778 WeakPolarHBondContact OE1-CD 3.35Å; E662-K778 VanDerWaalsContact OE1-CE 3.31Å; E662-K778 WeakPolarHBondContact OE1-CE 3.31Å; E662-K778 IonicContact OE1-NZ 3.67Å; E662-K778 PolarHBondContact OE1-NZ 3.08Å |
| 663 | Q | 46.5 | Very low | 52.5 | Low | 156 Ų | 156 | 118.5 Ų | 118.5 | 73% | 0.729 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 125 | 176.9 | -66.5 | -174.7 | -0.1 | 0 | 0 | 110.3 | E661 H665 | E661-Q663 PolarHBondContact O-N 2.89Å; Q663-H665 PolarHBondContact O-N 3.24Å |
| 664 | Q | 52.7 | Low | 54.1 | Low | 174 Ų | 174 | 120.2 Ų | 120.2 | 81% | 0.813 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 127.7 | 177.4 | -69.5 | -179 | -24.3 | 0 | 0 | 110.6 | E662 | E662-Q664 PolarHBondContact O-N 3.36Š|
| 665 | H | 58.6 | Low | 55.9 | Low | 127 Ų | 127 | 125 Ų | 125 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | trans | -107.2 | 148.5 | 173.1 | -72.1 | -42.9 | 0 | 0 | 0 | 110.9 | Q663 | Q663-H665 PolarHBondContact O-N 3.24Š| ||
| 666 | D | 65.8 | Low | 58 | Low | 152 Ų | 152 | 127.1 Ų | 127.1 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | trans | -61.1 | 158.8 | 176.6 | -73 | -51.4 | 0 | 0 | 0 | 112.2 | C668 | D666-C668 PolarHBondContact O-N 3.4Š| ||
| 667 | C | 77.5 | Confident | 60.3 | Low | 58 Ų | 58 | 122.7 Ų | 122.7 | 39% | 0.392 | 63% | 0.629 | S | S | . | * | trans | -75.1 | 109.2 | -176.2 | -167.8 | 0 | 0 | 0 | 0 | 112.2 | Y669 H737 C745 | C667-Y669 PolarHBondContact O-N 2.83Å; C667-H737 PolarHBondContact SG-CE1 3.4Å; C667-C745 VanDerWaalsContact CB-SG 3.55Å | ||
| 668 | C | 77.8 | Confident | 62.9 | Low | 78 Ų | 78 | 117.9 Ų | 117.9 | 53% | 0.527 | 60% | 0.598 | S | S | . | * | trans | -71.9 | -5.4 | 174.7 | -59.5 | 0 | 0 | 0 | 0 | 114.7 | D666 P670 H740 C742 | D666-C668 PolarHBondContact O-N 3.4Å; C668-P670 WeakPolarHBondContact O-CD 3.49Å; C668-H740 WeakPolarHBondContact CB-O 3.39Å; C668-C742 PolarHBondContact N-SG 3.5Å; C668-C742 VanDerWaalsContact N-SG 3.39Å | ||
| 669 | Y | 79.9 | Confident | 65.6 | Low | 39 Ų | 39 | 110.9 Ų | 110.9 | 15% | 0.153 | 56% | 0.56 | C | S | . | * | S | Bend | trans | -78.8 | 116.1 | -179.3 | -174.3 | -121.9 | 0 | 0 | 0 | 109.9 | C667 Q671 I690 V691 L736 H737 H740 C742 | C667-Y669 PolarHBondContact O-N 2.83Å; Y669-Q671 PolarHBondContact O-N 3.12Å; Y669-I690 VanDerWaalsContact OH-CG2 3.28Å; Y669-I690 WeakPolarHBondContact OH-CG2 3.44Å; Y669-V691 PolarHBondContact OH-O 2.96Å; Y669-L736 HydrophobicContact CE2-CB 4.17Å; Y669-H737 VanDerWaalsContact CB-ND1 3.26Å; Y669-H737 WeakPolarHBondContact CB-ND1 3.44Å; Y669-H737 AromaticContact CD1-CE1 3.46Å; Y669-H737 VanDerWaalsContact CD1-CE1 3.46Å; Y669-H737 WeakPolarHBondContact CD1-CE1 3.46Å; Y669-H737 AromaticContact CD1-ND1 3.85Å; Y669-H737 AromaticContact CD1-NE2 3.76Å; Y669-H737 AromaticContact CG-CE1 3.76Å; Y669-H737 AromaticContact CG-ND1 3.66Å; Y669-H740 HydrophobicContact CD2-CB 4Å; Y669-H740 AromaticContact CD2-CD2 3.61Å; Y669-H740 AromaticContact CD2-CG 3.74Å; Y669-H740 AromaticContact CE2-CD2 3.84Å; Y669-C742 PolarHBondContact N-SG 2.98Å |
| 670 | P | 71.2 | Confident | 68.2 | Low | 44 Ų | 44 | 107.5 Ų | 107.5 | 29% | 0.286 | 53% | 0.529 | S | S | . | . | trans | -75 | 121.2 | -165.6 | 28 | -34.9 | 0 | 0 | 0 | 112.3 | C668 N672 I673 H740 | C668-P670 WeakPolarHBondContact O-CD 3.49Å; P670-N672 PolarHBondContact O-N 3.13Å; P670-I673 HydrophobicContact CB-CG1 4.05Å; P670-I673 HydrophobicContact CG-CD1 4.05Å; P670-I673 HydrophobicContact CG-CG1 3.59Å; P670-H740 VanDerWaalsContact CD-CE1 3.47Å; P670-H740 WeakPolarHBondContact CD-CE1 3.17Å; P670-H740 WeakPolarHBondContact CD-ND1 3.4Å | ||
| 671 | Q | 70.3 | Confident | 70.6 | Confident | 189 Ų | 189 | 100.4 Ų | 100.4 | 88% | 0.883 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -69.1 | -19.4 | 173.2 | -65.5 | -176.7 | -4.9 | 0 | 0 | 113.4 | Y669 | Y669-Q671 PolarHBondContact O-N 3.12Š|
| 672 | N | 70.6 | Confident | 72.8 | Confident | 152 Ų | 152 | 92.9 Ų | 92.9 | 81% | 0.813 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -130 | 119.7 | 173.8 | -67.9 | -61.6 | 0 | 0 | 0 | 108.9 | P670 | P670-N672 PolarHBondContact O-N 3.13Š|
| 673 | I | 79.2 | Confident | 74.4 | Confident | 21 Ų | 21 | 89.7 Ų | 89.7 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | trans | -118.1 | 137.5 | 176.9 | -62.3 | 157.8 | 0 | 0 | 0 | 107.2 | P670 E675 N677 Q678 V691 D693 | P670-I673 HydrophobicContact CB-CG1 4.05Å; P670-I673 HydrophobicContact CG-CD1 4.05Å; P670-I673 HydrophobicContact CG-CG1 3.59Å; I673-E675 PolarHBondContact O-N 2.91Å; I673-N677 HydrophobicContact CG2-CB 4.1Å; I673-Q678 HydrophobicContact CB-CG 3.95Å; I673-Q678 HydrophobicContact CG2-CG 3.77Å; I673-Q678 PolarHBondContact O-NE2 2.91Å; I673-V691 HydrophobicContact CD1-CG1 4.16Å; I673-D693 HydrophobicContact CG1-CB 4.47Å; I673-D693 HydrophobicContact CG2-CB 3.9Å | ||
| 674 | D | 76 | Confident | 75.7 | Confident | 129 Ų | 129 | 85.1 Ų | 85.1 | 69% | 0.69 | 43% | 0.433 | S | S | * | . | trans | -58 | 131.3 | 176.1 | -86.7 | -20.7 | 0 | 0 | 0 | 111.2 | K676 N677 Q678 | D674-K676 PolarHBondContact O-N 3.36Å; D674-N677 PolarHBondContact O-N 3.14Å; D674-Q678 PolarHBondContact O-N 3.15Å | ||
| 675 | E | 73.8 | Confident | 76.7 | Confident | 169 Ų | 169 | 84.7 Ų | 84.7 | 79% | 0.79 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -30.8 | -172.6 | -64.4 | -175.8 | 151.7 | 0 | 0 | 114.5 | I673 | I673-E675 PolarHBondContact O-N 2.91Š|
| 676 | K | 74.8 | Confident | 77.5 | Confident | 187 Ų | 187 | 80.9 Ų | 80.9 | 81% | 0.813 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -30.1 | 179 | -63.2 | 177.9 | -177.8 | 173.3 | 0 | 113.2 | D674 R694 | D674-K676 PolarHBondContact O-N 3.36Å; K676-R694 PolarHBondContact O-NH1 2.71Å |
| 677 | N | 81.2 | Confident | 77.9 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -15.2 | -179.3 | -72 | 10.3 | 0 | 0 | 0 | 112.6 | I673 D674 V679 D693 R694 | I673-N677 HydrophobicContact CG2-CB 4.1Å; D674-N677 PolarHBondContact O-N 3.14Å; N677-V679 PolarHBondContact O-N 3.11Å; N677-D693 WeakPolarHBondContact CB-OD2 3.5Å; N677-D693 PolarHBondContact ND2-OD1 3.41Å; N677-D693 PolarHBondContact ND2-OD2 3.49Å; N677-D693 VanDerWaalsContact ND2-OD2 3.12Å; N677-R694 WeakPolarHBondContact O-CB 3.1Å; N677-R694 PolarHBondContact O-N 3.21Å |
| 678 | Q | 86.2 | Confident | 77.9 | Confident | 35 Ų | 35 | 81.5 Ų | 81.5 | 16% | 0.164 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 127.3 | -177.1 | -69.2 | 176 | 6.9 | 0 | 0 | 112.3 | I673 D674 Y680 V691 | I673-Q678 HydrophobicContact CB-CG 3.95Å; I673-Q678 HydrophobicContact CG2-CG 3.77Å; I673-Q678 PolarHBondContact O-NE2 2.91Å; D674-Q678 PolarHBondContact O-N 3.15Å; Q678-Y680 HydrophobicContact CB-CD2 4.39Å; Q678-Y680 HydrophobicContact CB-CE2 3.77Å; Q678-Y680 PolarHBondContact OE1-OH 3.05Å; Q678-V691 HydrophobicContact CB-CG1 3.98Å; Q678-V691 HydrophobicContact CG-CG1 3.9Å |
| 679 | V | 85.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.8 | 166.9 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | N677 F681 V691 A692 R694 L708 F720 | N677-V679 PolarHBondContact O-N 3.11Å; V679-F681 HydrophobicContact CG1-CD1 4.47Å; V679-F681 HydrophobicContact CG1-CE1 3.82Å; V679-F681 HydrophobicContact CG1-CE2 4.07Å; V679-F681 HydrophobicContact CG1-CZ 3.59Å; V679-V691 CarbonylContact O-C 3.39Å; V679-V691 WeakPolarHBondContact O-CA 3.39Å; V679-A692 PolarHBondContact N-O 2.72Å; V679-A692 PolarHBondContact O-N 3.47Å; V679-R694 HydrophobicContact CG2-CB 3.88Å; V679-L708 HydrophobicContact CG1-CD2 4.15Å; V679-L708 HydrophobicContact CG2-CD1 4.24Å; V679-L708 HydrophobicContact CG2-CD2 4.02Å; V679-F720 HydrophobicContact CG1-CD2 3.68Å; V679-F720 HydrophobicContact CG1-CE2 3.71Å |
| 680 | Y | 86.9 | Confident | 78.1 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.2 | 179.4 | -66.1 | -110.8 | 0 | 0 | 0 | 110.1 | Q678 A689 I690 V691 S718 R719 F720 | Q678-Y680 HydrophobicContact CB-CD2 4.39Å; Q678-Y680 HydrophobicContact CB-CE2 3.77Å; Q678-Y680 PolarHBondContact OE1-OH 3.05Å; Y680-A689 HydrophobicContact CD1-CB 4.33Å; Y680-I690 CarbonylContact C-O 3.42Å; Y680-I690 WeakPolarHBondContact CA-O 3.4Å; Y680-V691 HydrophobicContact CD1-CG2 3.69Å; Y680-V691 HydrophobicContact CE1-CG2 3.62Å; Y680-V691 HydrophobicContact CE2-CG1 4.4Å; Y680-V691 HydrophobicContact CG-CG2 4.31Å; Y680-S718 PolarHBondContact N-O 3.03Å; Y680-R719 HydrophobicContact CD2-CG 4.39Å; Y680-R719 HydrophobicContact CG-CG 4.37Å; Y680-R719 CarbonylContact O-C 3.57Å; Y680-R719 WeakPolarHBondContact O-CA 3.49Å; Y680-F720 PolarHBondContact O-N 3.27Å |
| 681 | F | 85.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 99.3 | 169.8 | -59.4 | -64.1 | 0 | 0 | 0 | 108.7 | V679 A689 I690 A692 L697 Y704 M707 F720 L722 L736 | V679-F681 HydrophobicContact CG1-CD1 4.47Å; V679-F681 HydrophobicContact CG1-CE1 3.82Å; V679-F681 HydrophobicContact CG1-CE2 4.07Å; V679-F681 HydrophobicContact CG1-CZ 3.59Å; F681-A689 CarbonylContact O-C 3.6Å; F681-A689 WeakPolarHBondContact O-CA 3.44Å; F681-I690 PolarHBondContact N-O 2.89Å; F681-I690 PolarHBondContact O-N 2.8Å; F681-A692 HydrophobicContact CE2-CB 4.14Å; F681-L697 HydrophobicContact CE2-CD1 3.86Å; F681-L697 HydrophobicContact CZ-CD1 3.76Å; F681-Y704 HydrophobicContact CE1-CE1 4.26Å; F681-Y704 AromaticContact CZ-CE1 3.86Å; F681-Y704 HydrophobicContact CZ-CE1 3.86Å; F681-M707 HydrophobicContact CE1-CE 4.12Å; F681-F720 HydrophobicContact CD1-CB 4.21Å; F681-F720 HydrophobicContact CD1-CD2 4.49Å; F681-F720 HydrophobicContact CE1-CD2 4.15Å; F681-L722 HydrophobicContact CD1-CB 4.21Å; F681-L722 HydrophobicContact CD1-CD1 3.49Å; F681-L722 VanDerWaalsContact CD1-CD1 3.49Å; F681-L722 HydrophobicContact CD1-CG 4.49Å; F681-L722 HydrophobicContact CE1-CD1 3.56Å; F681-L736 HydrophobicContact CD2-CD1 3.83Å; F681-L736 HydrophobicContact CD2-CD2 4.44Å; F681-L736 HydrophobicContact CE2-CD1 4.08Å; F681-L736 HydrophobicContact CE2-CD2 3.86Å |
| 682 | C | 82.5 | Confident | 79.6 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 144.1 | -174.4 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | A689 F720 L722 | C682-A689 HydrophobicContact CB-CB 4.3Å; C682-F720 PolarHBondContact N-O 3.08Å; C682-L722 PolarHBondContact O-N 3Å |
| 683 | H | 79.1 | Confident | 80.4 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 11% | 0.111 | 33% | 0.333 | C | S | . | . | trans | -79.8 | 140.1 | 163.7 | -170.3 | -114.6 | 0 | 0 | 0 | 109.9 | H685 S686 S688 V723 T724 | H683-H685 VanDerWaalsContact C-N 3.25Å; H683-H685 PolarHBondContact O-N 3.47Å; H683-S686 PolarHBondContact ND1-OG 2.93Å; H683-S688 PolarHBondContact N-O 3.3Å; H683-V723 PolarHBondContact CD2-O 2.64Å; H683-T724 PolarHBondContact NE2-O 2.71Å | ||
| 684 | P | 73.7 | Confident | 80.8 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10.3 | -174.2 | 30.1 | -36.9 | 0 | 0 | 0 | 113.9 | V723 | P684-V723 WeakPolarHBondContact CD-O 3.31Š|
| 685 | H | 74.6 | Confident | 81.2 | Confident | 164 Ų | 164 | 60.8 Ų | 60.8 | 76% | 0.759 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | 7.8 | -171.6 | -60.4 | -26.5 | 0 | 0 | 0 | 114.1 | H683 | H683-H685 VanDerWaalsContact C-N 3.25Å; H683-H685 PolarHBondContact O-N 3.47Å |
| 686 | S | 74.8 | Confident | 81.8 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -154.8 | 154 | 174.5 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | H683 S688 | H683-S686 PolarHBondContact ND1-OG 2.93Å; S686-S688 PolarHBondContact O-N 2.85Å; S686-S688 PolarHBondContact OG-OG 3.35Å |
| 687 | D | 75.1 | Confident | 82.4 | Confident | 180 Ų | 180 | 45.5 Ų | 45.5 | 96% | 0.963 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -70 | 10.1 | 179.2 | -62.6 | -47.1 | 0 | 0 | 0 | 114.2 | ||
| 688 | S | 76.1 | Confident | 82.7 | Confident | 43 Ų | 43 | 43.4 Ų | 43.4 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | trans | -75.1 | 122.7 | 174.3 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | H683 S686 | H683-S688 PolarHBondContact N-O 3.3Å; S686-S688 PolarHBondContact O-N 2.85Å; S686-S688 PolarHBondContact OG-OG 3.35Å | ||
| 689 | A | 78.7 | Confident | 82.8 | Confident | 43 Ų | 43 | 46 Ų | 46 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 140.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y680 F681 C682 | Y680-A689 HydrophobicContact CD1-CB 4.33Å; F681-A689 CarbonylContact O-C 3.6Å; F681-A689 WeakPolarHBondContact O-CA 3.44Å; C682-A689 HydrophobicContact CB-CB 4.3Å |
| 690 | I | 84 | Confident | 82.8 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 136.2 | 174 | -49.9 | 161.1 | 0 | 0 | 0 | 108.3 | Y669 Y680 F681 L729 N732 E733 L736 | Y669-I690 VanDerWaalsContact OH-CG2 3.28Å; Y669-I690 WeakPolarHBondContact OH-CG2 3.44Å; Y680-I690 CarbonylContact C-O 3.42Å; Y680-I690 WeakPolarHBondContact CA-O 3.4Å; F681-I690 PolarHBondContact N-O 2.89Å; F681-I690 PolarHBondContact O-N 2.8Å; I690-L729 HydrophobicContact CD1-CD1 3.63Å; I690-L729 HydrophobicContact CD1-CG 4.02Å; I690-L729 WeakPolarHBondContact CD1-O 3.31Å; I690-L729 HydrophobicContact CG1-CD1 3.98Å; I690-L729 HydrophobicContact CG1-CG 4.41Å; I690-N732 HydrophobicContact CD1-CB 3.97Å; I690-E733 HydrophobicContact CD1-CB 3.92Å; I690-L736 HydrophobicContact CB-CD1 4.18Å; I690-L736 HydrophobicContact CG2-CD1 3.52Å |
| 691 | V | 86.4 | Confident | 82.9 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 26% | 0.255 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.4 | -176.6 | -169.7 | 0 | 0 | 0 | 0 | 110.3 | Y669 I673 Q678 V679 Y680 | Y669-V691 PolarHBondContact OH-O 2.96Å; I673-V691 HydrophobicContact CD1-CG1 4.16Å; Q678-V691 HydrophobicContact CB-CG1 3.98Å; Q678-V691 HydrophobicContact CG-CG1 3.9Å; V679-V691 CarbonylContact O-C 3.39Å; V679-V691 WeakPolarHBondContact O-CA 3.39Å; Y680-V691 HydrophobicContact CD1-CG2 3.69Å; Y680-V691 HydrophobicContact CE1-CG2 3.62Å; Y680-V691 HydrophobicContact CE2-CG1 4.4Å; Y680-V691 HydrophobicContact CG-CG2 4.31Å |
| 692 | A | 86.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 161.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V679 F681 L697 L736 | V679-A692 PolarHBondContact N-O 2.72Å; V679-A692 PolarHBondContact O-N 3.47Å; F681-A692 HydrophobicContact CE2-CB 4.14Å; A692-L697 HydrophobicContact CB-CD1 3.87Å; A692-L697 HydrophobicContact CB-CD2 4.31Å; A692-L697 HydrophobicContact CB-CG 4.23Å; A692-L736 HydrophobicContact CB-CD1 4.44Å; A692-L736 HydrophobicContact CB-CD2 3.9Å |
| 693 | D | 86.4 | Confident | 83.1 | Confident | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.2 | 177.6 | -170.6 | -54 | 0 | 0 | 0 | 110.6 | I673 N677 S695 V696 L697 | I673-D693 HydrophobicContact CG1-CB 4.47Å; I673-D693 HydrophobicContact CG2-CB 3.9Å; N677-D693 WeakPolarHBondContact CB-OD2 3.5Å; N677-D693 PolarHBondContact ND2-OD1 3.41Å; N677-D693 PolarHBondContact ND2-OD2 3.49Å; N677-D693 VanDerWaalsContact ND2-OD2 3.12Å; D693-S695 PolarHBondContact O-N 3.2Å; D693-S695 WeakPolarHBondContact OD1-CA 3.27Å; D693-S695 WeakPolarHBondContact OD1-CB 3.37Å; D693-S695 PolarHBondContact OD1-N 3.43Å; D693-S695 PolarHBondContact OD1-OG 3.41Å; D693-V696 HydrophobicContact CB-CB 4.34Å; D693-V696 HydrophobicContact CB-CG2 4.04Å; D693-V696 PolarHBondContact O-N 2.93Å; D693-L697 WeakPolarHBondContact O-CG 3.24Å; D693-L697 PolarHBondContact O-N 2.95Å |
| 694 | R | 87.6 | Confident | 83.5 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 13% | 0.132 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -46.8 | -45.3 | 177 | 179.8 | 174.5 | -70.8 | 107.5 | -4.4 | 112.4 | K676 N677 V679 V696 L697 C698 L708 Q717 | K676-R694 PolarHBondContact O-NH1 2.71Å; N677-R694 WeakPolarHBondContact O-CB 3.1Å; N677-R694 PolarHBondContact O-N 3.21Å; V679-R694 HydrophobicContact CG2-CB 3.88Å; R694-V696 VanDerWaalsContact C-N 3.33Å; R694-V696 PolarHBondContact O-N 3.22Å; R694-L697 PolarHBondContact O-N 3.47Å; R694-C698 PolarHBondContact O-N 2.85Å; R694-C698 PolarHBondContact O-SG 2.92Å; R694-L708 HydrophobicContact CG-CB 4.16Å; R694-L708 HydrophobicContact CG-CD1 4.1Å; R694-Q717 PolarHBondContact NH2-O 3.39Å |
| 695 | S | 85.3 | Confident | 84.2 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.5 | -35.2 | -175.9 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | D693 S699 | D693-S695 PolarHBondContact O-N 3.2Å; D693-S695 WeakPolarHBondContact OD1-CA 3.27Å; D693-S695 WeakPolarHBondContact OD1-CB 3.37Å; D693-S695 PolarHBondContact OD1-N 3.43Å; D693-S695 PolarHBondContact OD1-OG 3.41Å; S695-S699 VanDerWaalsContact O-CB 3.28Å; S695-S699 WeakPolarHBondContact O-CB 3.15Å; S695-S699 PolarHBondContact O-N 3.25Å; S695-S699 PolarHBondContact O-OG 2.72Å |
| 696 | V | 87.1 | Confident | 84.6 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.5 | -39 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | D693 R694 S699 N700 L739 | D693-V696 HydrophobicContact CB-CB 4.34Å; D693-V696 HydrophobicContact CB-CG2 4.04Å; D693-V696 PolarHBondContact O-N 2.93Å; R694-V696 VanDerWaalsContact C-N 3.33Å; R694-V696 PolarHBondContact O-N 3.22Å; V696-S699 WeakPolarHBondContact CA-OG 3.49Å; V696-S699 PolarHBondContact O-OG 3.02Å; V696-S699 VanDerWaalsContact O-OG 3.13Å; V696-N700 WeakPolarHBondContact O-CB 3.42Å; V696-N700 PolarHBondContact O-N 2.81Å; V696-N700 PolarHBondContact O-ND2 3.36Å; V696-L739 WeakPolarHBondContact CG1-O 3.45Å |
| 697 | L | 87.5 | Confident | 85 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 176.6 | -61.8 | -174.5 | 0 | 0 | 0 | 112.6 | F681 A692 D693 R694 N700 S701 Y704 L708 L736 L739 | F681-L697 HydrophobicContact CE2-CD1 3.86Å; F681-L697 HydrophobicContact CZ-CD1 3.76Å; A692-L697 HydrophobicContact CB-CD1 3.87Å; A692-L697 HydrophobicContact CB-CD2 4.31Å; A692-L697 HydrophobicContact CB-CG 4.23Å; D693-L697 WeakPolarHBondContact O-CG 3.24Å; D693-L697 PolarHBondContact O-N 2.95Å; R694-L697 PolarHBondContact O-N 3.47Å; L697-N700 PolarHBondContact O-N 2.97Å; L697-S701 PolarHBondContact O-N 3.3Å; L697-S701 VanDerWaalsContact O-N 3.11Å; L697-Y704 HydrophobicContact CB-CD2 4.08Å; L697-Y704 HydrophobicContact CB-CG 3.93Å; L697-Y704 HydrophobicContact CD1-CD1 4.34Å; L697-Y704 HydrophobicContact CD1-CE1 4.48Å; L697-Y704 HydrophobicContact CD1-CG 4.45Å; L697-Y704 HydrophobicContact CD2-CD2 4.3Å; L697-Y704 HydrophobicContact CD2-CE2 4.32Å; L697-L708 HydrophobicContact CB-CD1 4.11Å; L697-L708 HydrophobicContact CD1-CD1 4.13Å; L697-L736 HydrophobicContact CD1-CD2 4.28Å; L697-L736 HydrophobicContact CD2-CD2 3.48Å; L697-L736 VanDerWaalsContact CD2-CD2 3.48Å; L697-L739 HydrophobicContact CD2-CD1 3.89Å |
| 698 | C | 87.3 | Confident | 85.5 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 8% | 0.081 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | R694 N700 S701 T705 E709 | R694-C698 PolarHBondContact O-N 2.85Å; R694-C698 PolarHBondContact O-SG 2.92Å; C698-N700 PolarHBondContact O-N 3.2Å; C698-N700 VanDerWaalsContact O-N 3.1Å; C698-S701 PolarHBondContact O-N 2.93Å; C698-T705 WeakPolarHBondContact CA-OG1 3.47Å; C698-T705 PolarHBondContact O-OG1 3.3Å; C698-E709 PolarHBondContact SG-OE1 2.91Å |
| 699 | S | 87.3 | Confident | 85.7 | Confident | 90 Ų | 90 | 41 Ų | 41 | 63% | 0.629 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.3 | -19.3 | -178.9 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | S695 V696 | S695-S699 VanDerWaalsContact O-CB 3.28Å; S695-S699 WeakPolarHBondContact O-CB 3.15Å; S695-S699 PolarHBondContact O-N 3.25Å; S695-S699 PolarHBondContact O-OG 2.72Å; V696-S699 WeakPolarHBondContact CA-OG 3.49Å; V696-S699 PolarHBondContact O-OG 3.02Å; V696-S699 VanDerWaalsContact O-OG 3.13Å |
| 700 | N | 86.7 | Confident | 85.6 | Confident | 60 Ų | 60 | 40.6 Ų | 40.6 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -112.9 | -0.4 | -178.1 | -68.3 | -75.6 | 0 | 0 | 0 | 114.3 | V696 L697 C698 L739 H770 | V696-N700 WeakPolarHBondContact O-CB 3.42Å; V696-N700 PolarHBondContact O-N 2.81Å; V696-N700 PolarHBondContact O-ND2 3.36Å; L697-N700 PolarHBondContact O-N 2.97Å; C698-N700 PolarHBondContact O-N 3.2Å; C698-N700 VanDerWaalsContact O-N 3.1Å; N700-L739 HydrophobicContact CB-CD2 3.74Å; N700-H770 PolarHBondContact O-CE1 3.09Å |
| 701 | S | 88.6 | Confident | 84.9 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | trans | -154.4 | 127.1 | -179.4 | 170.5 | 0 | 0 | 0 | 0 | 113.1 | L697 C698 F703 Y704 T705 R766 | L697-S701 PolarHBondContact O-N 3.3Å; L697-S701 VanDerWaalsContact O-N 3.11Å; C698-S701 PolarHBondContact O-N 2.93Å; S701-F703 VanDerWaalsContact C-N 3.28Å; S701-F703 PolarHBondContact O-N 2.83Å; S701-F703 WeakPolarHBondContact OG-CB 3.36Å; S701-F703 PolarHBondContact OG-N 3.31Å; S701-Y704 PolarHBondContact O-N 3.1Å; S701-Y704 PolarHBondContact OG-N 2.81Å; S701-Y704 VanDerWaalsContact OG-N 3.14Å; S701-T705 WeakPolarHBondContact O-CB 3.37Å; S701-T705 PolarHBondContact O-N 3.45Å; S701-T705 PolarHBondContact O-OG1 2.96Å; S701-R766 PolarHBondContact OG-O 3.26Å | ||
| 702 | E | 85.9 | Confident | 84.4 | Confident | 145 Ų | 145 | 48.1 Ų | 48.1 | 68% | 0.678 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64 | -33.8 | 170.8 | -62.6 | -176.2 | 167.4 | 0 | 0 | 112 | T705 A706 L767 | E702-T705 PolarHBondContact O-N 2.96Å; E702-A706 WeakPolarHBondContact O-CB 3.46Å; E702-A706 PolarHBondContact O-N 3.25Å; E702-L767 HydrophobicContact CB-CD1 3.97Å |
| 703 | F | 87.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 54 Ų | 54 | 32% | 0.316 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -49.4 | 176.2 | 174.7 | -87.8 | 0 | 0 | 0 | 111.1 | S701 A706 M707 R766 L767 | S701-F703 VanDerWaalsContact C-N 3.28Å; S701-F703 PolarHBondContact O-N 2.83Å; S701-F703 WeakPolarHBondContact OG-CB 3.36Å; S701-F703 PolarHBondContact OG-N 3.31Å; F703-A706 PolarHBondContact O-N 2.85Å; F703-M707 HydrophobicContact CE1-SD 3.96Å; F703-M707 HydrophobicContact CZ-SD 4.32Å; F703-M707 WeakPolarHBondContact O-CB 3.24Å; F703-M707 PolarHBondContact O-N 3.25Å; F703-R766 HydrophobicContact CB-CB 4.36Å; F703-R766 WeakPolarHBondContact CB-O 3.17Å; F703-R766 HydrophobicContact CD1-CB 4.05Å; F703-R766 HydrophobicContact CD1-CG 3.96Å; F703-R766 HydrophobicContact CE1-CG 4.11Å; F703-R766 HydrophobicContact CG-CB 4.23Å; F703-R766 HydrophobicContact CG-CG 4.38Å; F703-L767 HydrophobicContact CB-CD1 4.35Å; F703-L767 HydrophobicContact CB-CG 4.37Å |
| 704 | Y | 87.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.7 | -35.3 | 178 | -73.8 | -57.5 | 0 | 0 | 0 | 112.1 | F681 L697 S701 M707 L708 L739 R766 | F681-Y704 HydrophobicContact CE1-CE1 4.26Å; F681-Y704 AromaticContact CZ-CE1 3.86Å; F681-Y704 HydrophobicContact CZ-CE1 3.86Å; L697-Y704 HydrophobicContact CB-CD2 4.08Å; L697-Y704 HydrophobicContact CB-CG 3.93Å; L697-Y704 HydrophobicContact CD1-CD1 4.34Å; L697-Y704 HydrophobicContact CD1-CE1 4.48Å; L697-Y704 HydrophobicContact CD1-CG 4.45Å; L697-Y704 HydrophobicContact CD2-CD2 4.3Å; L697-Y704 HydrophobicContact CD2-CE2 4.32Å; S701-Y704 PolarHBondContact O-N 3.1Å; S701-Y704 PolarHBondContact OG-N 2.81Å; S701-Y704 VanDerWaalsContact OG-N 3.14Å; Y704-M707 HydrophobicContact CD1-CE 3.87Å; Y704-M707 HydrophobicContact CE1-CE 4.12Å; Y704-M707 PolarHBondContact O-N 3.17Å; Y704-L708 HydrophobicContact CD1-CD1 4.41Å; Y704-L708 VanDerWaalsContact O-CB 3.22Å; Y704-L708 WeakPolarHBondContact O-CB 3.35Å; Y704-L708 VanDerWaalsContact O-CG 3.25Å; Y704-L708 WeakPolarHBondContact O-CG 3.37Å; Y704-L708 PolarHBondContact O-N 3.29Å; Y704-L739 HydrophobicContact CD2-CD1 4.23Å; Y704-L739 HydrophobicContact CE2-CD1 3.8Å; Y704-R766 PolarHBondContact OH-NH1 3.39Å |
| 705 | T | 87.2 | Confident | 81.8 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.3 | -51.5 | 170 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | C698 S701 E702 M707 E709 G710 | C698-T705 WeakPolarHBondContact CA-OG1 3.47Å; C698-T705 PolarHBondContact O-OG1 3.3Å; S701-T705 WeakPolarHBondContact O-CB 3.37Å; S701-T705 PolarHBondContact O-N 3.45Å; S701-T705 PolarHBondContact O-OG1 2.96Å; E702-T705 PolarHBondContact O-N 2.96Å; T705-M707 PolarHBondContact O-N 3.38Å; T705-E709 CarbonylContact O-C 3.58Å; T705-E709 WeakPolarHBondContact O-CA 3.24Å; T705-E709 PolarHBondContact O-N 2.82Å; T705-G710 PolarHBondContact O-N 3.48Å; T705-G710 VanDerWaalsContact O-N 3.09Å |
| 706 | A | 83.5 | Confident | 81 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E702 F703 G710 F712 | E702-A706 WeakPolarHBondContact O-CB 3.46Å; E702-A706 PolarHBondContact O-N 3.25Å; F703-A706 PolarHBondContact O-N 2.85Å; A706-G710 VanDerWaalsContact O-CA 3.25Å; A706-G710 WeakPolarHBondContact O-CA 3.29Å; A706-G710 PolarHBondContact O-N 2.97Å; A706-F712 HydrophobicContact CB-CD2 4.35Å; A706-F712 HydrophobicContact CB-CE2 4.1Å; A706-F712 WeakPolarHBondContact O-CD2 3.32Å |
| 707 | M | 83.1 | Confident | 80.4 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.4 | -38.1 | -178.3 | -169.6 | -173.6 | 82.1 | 0 | 0 | 113.4 | F681 F703 Y704 T705 E714 A715 F720 L722 | F681-M707 HydrophobicContact CE1-CE 4.12Å; F703-M707 HydrophobicContact CE1-SD 3.96Å; F703-M707 HydrophobicContact CZ-SD 4.32Å; F703-M707 WeakPolarHBondContact O-CB 3.24Å; F703-M707 PolarHBondContact O-N 3.25Å; Y704-M707 HydrophobicContact CD1-CE 3.87Å; Y704-M707 HydrophobicContact CE1-CE 4.12Å; Y704-M707 PolarHBondContact O-N 3.17Å; T705-M707 PolarHBondContact O-N 3.38Å; M707-E714 HydrophobicContact CG-CB 4.09Å; M707-E714 CarbonylContact O-C 3.58Å; M707-A715 WeakPolarHBondContact O-CA 3.41Å; M707-A715 PolarHBondContact O-N 2.94Å; M707-F720 HydrophobicContact CE-CD2 4.14Å; M707-F720 HydrophobicContact CE-CE2 4.1Å; M707-F720 HydrophobicContact CE-CG 4.38Å; M707-F720 HydrophobicContact CE-CZ 4.3Å; M707-L722 HydrophobicContact CE-CD1 4.35Å; M707-L722 HydrophobicContact SD-CD1 4.29Å |
| 708 | L | 84.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -97.6 | -31.9 | -170.6 | -60.3 | 173 | 0 | 0 | 0 | 113.4 | V679 R694 L697 Y704 G716 F720 | V679-L708 HydrophobicContact CG1-CD2 4.15Å; V679-L708 HydrophobicContact CG2-CD1 4.24Å; V679-L708 HydrophobicContact CG2-CD2 4.02Å; R694-L708 HydrophobicContact CG-CB 4.16Å; R694-L708 HydrophobicContact CG-CD1 4.1Å; L697-L708 HydrophobicContact CB-CD1 4.11Å; L697-L708 HydrophobicContact CD1-CD1 4.13Å; Y704-L708 HydrophobicContact CD1-CD1 4.41Å; Y704-L708 VanDerWaalsContact O-CB 3.22Å; Y704-L708 WeakPolarHBondContact O-CB 3.35Å; Y704-L708 VanDerWaalsContact O-CG 3.25Å; Y704-L708 WeakPolarHBondContact O-CG 3.37Å; Y704-L708 PolarHBondContact O-N 3.29Å; L708-G716 PolarHBondContact O-N 2.94Å; L708-F720 HydrophobicContact CD2-CD2 4.4Å; L708-F720 HydrophobicContact CD2-CE2 3.39Å; L708-F720 HydrophobicContact CD2-CZ 3.68Å |
| 709 | E | 81.3 | Confident | 79.8 | Confident | 112 Ų | 112 | 68.8 Ų | 68.8 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -126.9 | -8.9 | -172.3 | -64.9 | 177.9 | -171.5 | 0 | 0 | 113.5 | C698 T705 | C698-E709 PolarHBondContact SG-OE1 2.91Å; T705-E709 CarbonylContact O-C 3.58Å; T705-E709 WeakPolarHBondContact O-CA 3.24Å; T705-E709 PolarHBondContact O-N 2.82Å |
| 710 | G | 76.1 | Confident | 79.4 | Confident | 34 Ų | 34 | 65.3 Ų | 65.3 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -82.5 | -160 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T705 A706 F712 A715 | T705-G710 PolarHBondContact O-N 3.48Å; T705-G710 VanDerWaalsContact O-N 3.09Å; A706-G710 VanDerWaalsContact O-CA 3.25Å; A706-G710 WeakPolarHBondContact O-CA 3.29Å; A706-G710 PolarHBondContact O-N 2.97Å; G710-F712 VanDerWaalsContact C-N 3.34Å; G710-F712 PolarHBondContact O-N 3.09Å; G710-A715 WeakPolarHBondContact O-CB 3.37Å |
| 711 | G | 70.1 | Confident | 78.8 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 91% | 0.907 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -89.2 | 14.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 712 | F | 74.8 | Confident | 77.7 | Confident | 129 Ų | 129 | 69.1 Ų | 69.1 | 57% | 0.566 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -83 | 161.4 | -177.8 | -75.4 | -89.9 | 0 | 0 | 0 | 111.9 | A706 G710 E714 A715 | A706-F712 HydrophobicContact CB-CD2 4.35Å; A706-F712 HydrophobicContact CB-CE2 4.1Å; A706-F712 WeakPolarHBondContact O-CD2 3.32Å; G710-F712 VanDerWaalsContact C-N 3.34Å; G710-F712 PolarHBondContact O-N 3.09Å; F712-E714 HydrophobicContact CB-CB 4.4Å; F712-E714 WeakPolarHBondContact CB-OE2 3.41Å; F712-E714 PolarHBondContact O-N 3.36Å; F712-A715 VanDerWaalsContact O-CB 3.27Å; F712-A715 WeakPolarHBondContact O-CB 3.28Å; F712-A715 PolarHBondContact O-N 3.09Å; F712-A715 VanDerWaalsContact O-N 3.1Å |
| 713 | V | 72.7 | Confident | 76.6 | Confident | 124 Ų | 124 | 62.4 Ų | 62.4 | 75% | 0.752 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.4 | -179.1 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | A715 Q717 | V713-A715 VanDerWaalsContact C-N 3.3Å; V713-Q717 PolarHBondContact O-NE2 3.42Å |
| 714 | E | 68.8 | Low | 75.4 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 36% | 0.36 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -22.3 | 174.3 | -68.1 | 66.6 | -147.8 | 0 | 0 | 113.2 | M707 F712 G716 Q717 F720 | M707-E714 HydrophobicContact CG-CB 4.09Å; M707-E714 CarbonylContact O-C 3.58Å; F712-E714 HydrophobicContact CB-CB 4.4Å; F712-E714 WeakPolarHBondContact CB-OE2 3.41Å; F712-E714 PolarHBondContact O-N 3.36Å; E714-G716 PolarHBondContact O-N 2.82Å; E714-Q717 VanDerWaalsContact O-CB 3.27Å; E714-Q717 WeakPolarHBondContact O-CB 3.4Å; E714-Q717 WeakPolarHBondContact O-CG 3.32Å; E714-Q717 PolarHBondContact O-N 2.96Å; E714-Q717 VanDerWaalsContact O-N 3.08Å; E714-F720 HydrophobicContact CB-CE1 3.82Å; E714-F720 HydrophobicContact CG-CE1 4.23Å; E714-F720 WeakPolarHBondContact O-CZ 3.36Å |
| 715 | A | 65.4 | Low | 74.8 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 135.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M707 G710 F712 V713 Q717 | M707-A715 WeakPolarHBondContact O-CA 3.41Å; M707-A715 PolarHBondContact O-N 2.94Å; G710-A715 WeakPolarHBondContact O-CB 3.37Å; F712-A715 VanDerWaalsContact O-CB 3.27Å; F712-A715 WeakPolarHBondContact O-CB 3.28Å; F712-A715 PolarHBondContact O-N 3.09Å; F712-A715 VanDerWaalsContact O-N 3.1Å; V713-A715 VanDerWaalsContact C-N 3.3Å; A715-Q717 PolarHBondContact O-N 3.03Å |
| 716 | G | 67.7 | Low | 74.1 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -8.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L708 E714 | L708-G716 PolarHBondContact O-N 2.94Å; E714-G716 PolarHBondContact O-N 2.82Å |
| 717 | Q | 75.7 | Confident | 73.9 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | trans | -69.7 | 149.5 | 170.5 | -56.4 | -173.4 | 36.6 | 0 | 0 | 110.5 | R694 V713 E714 A715 F720 | R694-Q717 PolarHBondContact NH2-O 3.39Å; V713-Q717 PolarHBondContact O-NE2 3.42Å; E714-Q717 VanDerWaalsContact O-CB 3.27Å; E714-Q717 WeakPolarHBondContact O-CB 3.4Å; E714-Q717 WeakPolarHBondContact O-CG 3.32Å; E714-Q717 PolarHBondContact O-N 2.96Å; E714-Q717 VanDerWaalsContact O-N 3.08Å; A715-Q717 PolarHBondContact O-N 3.03Å; Q717-F720 HydrophobicContact CB-CE1 3.83Å; Q717-F720 HydrophobicContact CB-CZ 3.73Å; Q717-F720 WeakPolarHBondContact O-CE2 3.14Å; Q717-F720 WeakPolarHBondContact O-CZ 3.27Å | ||
| 718 | S | 77 | Confident | 73.7 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -112.3 | -1.5 | -179.7 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | Y680 | Y680-S718 PolarHBondContact N-O 3.03Š|
| 719 | R | 83.4 | Confident | 73.6 | Confident | 153 Ų | 153 | 75.6 Ų | 75.6 | 58% | 0.577 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.2 | 179.3 | -58.1 | -159 | 156.7 | 170.1 | -6 | 110.7 | Y680 | Y680-R719 HydrophobicContact CD2-CG 4.39Å; Y680-R719 HydrophobicContact CG-CG 4.37Å; Y680-R719 CarbonylContact O-C 3.57Å; Y680-R719 WeakPolarHBondContact O-CA 3.49Å |
| 720 | F | 79.2 | Confident | 73.8 | Confident | 17 Ų | 17 | 72 Ų | 72 | 8% | 0.075 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.3 | -177.7 | -59.3 | -77.8 | 0 | 0 | 0 | 111 | V679 Y680 F681 C682 M707 L708 E714 Q717 L722 | V679-F720 HydrophobicContact CG1-CD2 3.68Å; V679-F720 HydrophobicContact CG1-CE2 3.71Å; Y680-F720 PolarHBondContact O-N 3.27Å; F681-F720 HydrophobicContact CD1-CB 4.21Å; F681-F720 HydrophobicContact CD1-CD2 4.49Å; F681-F720 HydrophobicContact CE1-CD2 4.15Å; C682-F720 PolarHBondContact N-O 3.08Å; M707-F720 HydrophobicContact CE-CD2 4.14Å; M707-F720 HydrophobicContact CE-CE2 4.1Å; M707-F720 HydrophobicContact CE-CG 4.38Å; M707-F720 HydrophobicContact CE-CZ 4.3Å; L708-F720 HydrophobicContact CD2-CD2 4.4Å; L708-F720 HydrophobicContact CD2-CE2 3.39Å; L708-F720 HydrophobicContact CD2-CZ 3.68Å; E714-F720 HydrophobicContact CB-CE1 3.82Å; E714-F720 HydrophobicContact CG-CE1 4.23Å; E714-F720 WeakPolarHBondContact O-CZ 3.36Å; Q717-F720 HydrophobicContact CB-CE1 3.83Å; Q717-F720 HydrophobicContact CB-CZ 3.73Å; Q717-F720 WeakPolarHBondContact O-CE2 3.14Å; Q717-F720 WeakPolarHBondContact O-CZ 3.27Å; F720-L722 HydrophobicContact CB-CB 4.47Å; F720-L722 HydrophobicContact CB-CD1 4Å; F720-L722 HydrophobicContact CB-CG 4.39Å; F720-L722 PolarHBondContact O-N 3.02Å |
| 721 | S | 74.4 | Confident | 74.4 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 95.2 | 170.5 | 170.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 722 | L | 66 | Low | 75.2 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | trans | -125 | 6.1 | -161.7 | -121.7 | 171.7 | 0 | 0 | 0 | 115.2 | F681 C682 M707 F720 | F681-L722 HydrophobicContact CD1-CB 4.21Å; F681-L722 HydrophobicContact CD1-CD1 3.49Å; F681-L722 VanDerWaalsContact CD1-CD1 3.49Å; F681-L722 HydrophobicContact CD1-CG 4.49Å; F681-L722 HydrophobicContact CE1-CD1 3.56Å; C682-L722 PolarHBondContact O-N 3Å; M707-L722 HydrophobicContact CE-CD1 4.35Å; M707-L722 HydrophobicContact SD-CD1 4.29Å; F720-L722 HydrophobicContact CB-CB 4.47Å; F720-L722 HydrophobicContact CB-CD1 4Å; F720-L722 HydrophobicContact CB-CG 4.39Å; F720-L722 PolarHBondContact O-N 3.02Å | ||
| 723 | V | 62.9 | Low | 75.9 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | trans | -145.5 | 135.2 | -169.4 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | H683 P684 D725 T728 L729 | H683-V723 PolarHBondContact CD2-O 2.64Å; P684-V723 WeakPolarHBondContact CD-O 3.31Å; V723-D725 WeakPolarHBondContact CG1-O 3.37Å; V723-T728 HydrophobicContact CG1-CG2 4.06Å; V723-L729 HydrophobicContact CB-CD1 4.22Å; V723-L729 HydrophobicContact CG1-CB 3.79Å; V723-L729 HydrophobicContact CG1-CD1 4.01Å; V723-L729 VanDerWaalsContact CG1-N 3.34Å; V723-L729 HydrophobicContact CG2-CD1 3.99Å | ||
| 724 | T | 62.9 | Low | 76.7 | Confident | 111 Ų | 111 | 57.4 Ų | 57.4 | 68% | 0.681 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -101.4 | -16.4 | -177.3 | 43.6 | 0 | 0 | 0 | 0 | 115.7 | H683 | H683-T724 PolarHBondContact NE2-O 2.71Š|
| 725 | D | 74.3 | Confident | 77.7 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -155.8 | 165.4 | -176.7 | 53.1 | 72 | 0 | 0 | 0 | 112 | V723 F727 T728 L729 | V723-D725 WeakPolarHBondContact CG1-O 3.37Å; D725-F727 VanDerWaalsContact C-N 3.29Å; D725-F727 PolarHBondContact O-N 3.46Å; D725-F727 PolarHBondContact OD1-N 3.36Å; D725-T728 PolarHBondContact O-N 3.13Å; D725-T728 VanDerWaalsContact OD1-CB 3.24Å; D725-T728 WeakPolarHBondContact OD1-CB 3.29Å; D725-T728 PolarHBondContact OD1-N 3.12Å; D725-T728 PolarHBondContact OD1-OG1 2.75Å; D725-T728 PolarHBondContact OD2-OG1 3.19Å; D725-L729 PolarHBondContact O-N 3.39Å |
| 726 | E | 72.1 | Confident | 78.9 | Confident | 157 Ų | 157 | 52.1 Ų | 52.1 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.1 | -25.8 | -176.5 | -61.1 | -173.6 | 158 | 0 | 0 | 113.7 | L729 R730 | E726-L729 WeakPolarHBondContact O-CB 3.45Å; E726-L729 PolarHBondContact O-N 3.45Å; E726-R730 PolarHBondContact O-N 3.28Å |
| 727 | F | 80 | Confident | 80 | Confident | 84 Ų | 84 | 49.6 Ų | 49.6 | 37% | 0.368 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.1 | -47.6 | 179.1 | 176.4 | -96.7 | 0 | 0 | 0 | 110.9 | D725 L729 R730 C731 E754 E755 E758 | D725-F727 VanDerWaalsContact C-N 3.29Å; D725-F727 PolarHBondContact O-N 3.46Å; D725-F727 PolarHBondContact OD1-N 3.36Å; F727-L729 VanDerWaalsContact C-N 3.25Å; F727-L729 PolarHBondContact O-N 3.06Å; F727-R730 PolarHBondContact O-N 2.9Å; F727-C731 PolarHBondContact O-N 3.11Å; F727-C731 PolarHBondContact O-SG 3.5Å; F727-E754 HydrophobicContact CE2-CB 4.36Å; F727-E754 HydrophobicContact CZ-CB 3.82Å; F727-E755 HydrophobicContact CE2-CG 3.72Å; F727-E755 HydrophobicContact CZ-CG 4.21Å; F727-E758 HydrophobicContact CE1-CB 3.83Å; F727-E758 HydrophobicContact CE1-CG 3.91Å; F727-E758 HydrophobicContact CZ-CB 4.32Å |
| 728 | T | 78.8 | Confident | 80.6 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 13% | 0.129 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -37.1 | 170.9 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | V723 D725 R730 C731 N732 | V723-T728 HydrophobicContact CG1-CG2 4.06Å; D725-T728 PolarHBondContact O-N 3.13Å; D725-T728 VanDerWaalsContact OD1-CB 3.24Å; D725-T728 WeakPolarHBondContact OD1-CB 3.29Å; D725-T728 PolarHBondContact OD1-N 3.12Å; D725-T728 PolarHBondContact OD1-OG1 2.75Å; D725-T728 PolarHBondContact OD2-OG1 3.19Å; T728-R730 PolarHBondContact O-N 3.2Å; T728-C731 PolarHBondContact O-N 3.19Å; T728-N732 WeakPolarHBondContact O-CB 3.3Å; T728-N732 PolarHBondContact O-N 2.88Å; T728-N732 PolarHBondContact O-ND2 3.41Å |
| 729 | L | 82 | Confident | 81.2 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 174.4 | -164.7 | 65.7 | 0 | 0 | 0 | 111.3 | I690 V723 D725 E726 F727 C731 N732 E733 | I690-L729 HydrophobicContact CD1-CD1 3.63Å; I690-L729 HydrophobicContact CD1-CG 4.02Å; I690-L729 WeakPolarHBondContact CD1-O 3.31Å; I690-L729 HydrophobicContact CG1-CD1 3.98Å; I690-L729 HydrophobicContact CG1-CG 4.41Å; V723-L729 HydrophobicContact CB-CD1 4.22Å; V723-L729 HydrophobicContact CG1-CB 3.79Å; V723-L729 HydrophobicContact CG1-CD1 4.01Å; V723-L729 VanDerWaalsContact CG1-N 3.34Å; V723-L729 HydrophobicContact CG2-CD1 3.99Å; D725-L729 PolarHBondContact O-N 3.39Å; E726-L729 WeakPolarHBondContact O-CB 3.45Å; E726-L729 PolarHBondContact O-N 3.45Å; F727-L729 VanDerWaalsContact C-N 3.25Å; F727-L729 PolarHBondContact O-N 3.06Å; L729-C731 PolarHBondContact O-N 3.21Å; L729-N732 WeakPolarHBondContact O-CB 3.29Å; L729-N732 PolarHBondContact O-N 3.32Å; L729-E733 PolarHBondContact O-N 3.45Å |
| 730 | R | 85.9 | Confident | 81.3 | Confident | 37 Ų | 37 | 36.9 Ų | 36.9 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.4 | 176.5 | 56.4 | -178.2 | 164.5 | 7.6 | 112.2 | E726 F727 T728 N732 E733 L734 S747 | E726-R730 PolarHBondContact O-N 3.28Å; F727-R730 PolarHBondContact O-N 2.9Å; T728-R730 PolarHBondContact O-N 3.2Å; R730-N732 VanDerWaalsContact C-N 3.29Å; R730-N732 PolarHBondContact O-N 2.88Å; R730-E733 VanDerWaalsContact CD-OE2 3.28Å; R730-E733 WeakPolarHBondContact CD-OE2 3.44Å; R730-E733 IonicContact CZ-OE2 3.1Å; R730-E733 IonicContact NE-OE2 2.73Å; R730-E733 IonicContact NH1-OE2 2.62Å; R730-E733 PolarHBondContact NH1-OE2 3.49Å; R730-E733 WeakPolarHBondContact O-CB 3.16Å; R730-E733 PolarHBondContact O-N 2.88Å; R730-L734 WeakPolarHBondContact O-CG 3.37Å; R730-L734 PolarHBondContact O-N 3.04Å; R730-S747 PolarHBondContact NH1-O 3.25Å; R730-S747 PolarHBondContact NH2-O 2.97Å |
| 731 | C | 88.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.1 | -28.3 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | F727 T728 L729 L735 E758 L759 L762 | F727-C731 PolarHBondContact O-N 3.11Å; F727-C731 PolarHBondContact O-SG 3.5Å; T728-C731 PolarHBondContact O-N 3.19Å; L729-C731 PolarHBondContact O-N 3.21Å; C731-L735 PolarHBondContact O-N 3.44Å; C731-L735 VanDerWaalsContact O-N 3.13Å; C731-E758 HydrophobicContact CB-CB 4.49Å; C731-E758 HydrophobicContact CB-CG 3.85Å; C731-L759 WeakPolarHBondContact O-CD1 3.45Å; C731-L762 HydrophobicContact CB-CD1 3.54Å |
| 732 | N | 87.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -46 | 169 | -84.1 | -104.2 | 0 | 0 | 0 | 111.8 | I690 T728 L729 R730 L734 L735 L736 R766 | I690-N732 HydrophobicContact CD1-CB 3.97Å; T728-N732 WeakPolarHBondContact O-CB 3.3Å; T728-N732 PolarHBondContact O-N 2.88Å; T728-N732 PolarHBondContact O-ND2 3.41Å; L729-N732 WeakPolarHBondContact O-CB 3.29Å; L729-N732 PolarHBondContact O-N 3.32Å; R730-N732 VanDerWaalsContact C-N 3.29Å; R730-N732 PolarHBondContact O-N 2.88Å; N732-L734 VanDerWaalsContact C-N 3.32Å; N732-L734 PolarHBondContact O-N 3.49Å; N732-L735 PolarHBondContact O-N 2.93Å; N732-L736 VanDerWaalsContact O-CG 3.23Å; N732-L736 WeakPolarHBondContact O-CG 3.5Å; N732-L736 PolarHBondContact O-N 3.22Å; N732-R766 VanDerWaalsContact OD1-CZ 3.23Å; N732-R766 PolarHBondContact OD1-NH1 2.92Å; N732-R766 PolarHBondContact OD1-NH2 3.31Å |
| 733 | E | 88 | Confident | 82.9 | Confident | 68 Ų | 68 | 34.4 Ų | 34.4 | 32% | 0.318 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.3 | -44.9 | 176.1 | -175.1 | -169.9 | -147.9 | 0 | 0 | 111.4 | I690 L729 R730 L736 H737 | I690-E733 HydrophobicContact CD1-CB 3.92Å; L729-E733 PolarHBondContact O-N 3.45Å; R730-E733 VanDerWaalsContact CD-OE2 3.28Å; R730-E733 WeakPolarHBondContact CD-OE2 3.44Å; R730-E733 IonicContact CZ-OE2 3.1Å; R730-E733 IonicContact NE-OE2 2.73Å; R730-E733 IonicContact NH1-OE2 2.62Å; R730-E733 PolarHBondContact NH1-OE2 3.49Å; R730-E733 WeakPolarHBondContact O-CB 3.16Å; R730-E733 PolarHBondContact O-N 2.88Å; E733-L736 PolarHBondContact O-N 2.88Å; E733-H737 PolarHBondContact O-CD2 2.93Å; E733-H737 PolarHBondContact O-N 2.88Å |
| 734 | L | 89.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.4 | -49.9 | 174.2 | -72.9 | 174 | 0 | 0 | 0 | 112.2 | R730 N732 L736 H737 F738 V748 L750 L759 | R730-L734 WeakPolarHBondContact O-CG 3.37Å; R730-L734 PolarHBondContact O-N 3.04Å; N732-L734 VanDerWaalsContact C-N 3.32Å; N732-L734 PolarHBondContact O-N 3.49Å; L734-L736 VanDerWaalsContact C-N 3.31Å; L734-L736 PolarHBondContact O-N 3.4Å; L734-H737 WeakPolarHBondContact O-CB 3.48Å; L734-H737 PolarHBondContact O-N 3.29Å; L734-F738 WeakPolarHBondContact O-CD2 3.13Å; L734-F738 PolarHBondContact O-N 2.95Å; L734-V748 HydrophobicContact CD2-CB 4.23Å; L734-V748 WeakPolarHBondContact CD2-O 3.21Å; L734-L750 HydrophobicContact CD1-CD2 3.89Å; L734-L759 HydrophobicContact CB-CD1 3.94Å; L734-L759 HydrophobicContact CB-CD2 4.18Å |
| 735 | L | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 178.6 | -178 | 63.6 | 0 | 0 | 0 | 112 | C731 N732 F738 L739 L759 L762 A763 C768 V771 | C731-L735 PolarHBondContact O-N 3.44Å; C731-L735 VanDerWaalsContact O-N 3.13Å; N732-L735 PolarHBondContact O-N 2.93Å; L735-F738 PolarHBondContact O-N 3.36Å; L735-L739 HydrophobicContact CD1-CD1 4.47Å; L735-L739 HydrophobicContact CD1-CG 4.45Å; L735-L739 HydrophobicContact CG-CD1 4.05Å; L735-L739 HydrophobicContact CG-CG 4.45Å; L735-L739 WeakPolarHBondContact O-CG 3.46Å; L735-L739 PolarHBondContact O-N 3.14Å; L735-L759 HydrophobicContact CB-CD1 3.77Å; L735-L759 HydrophobicContact CD1-CD1 4.44Å; L735-L762 HydrophobicContact CD2-CB 4.44Å; L735-A763 HydrophobicContact CD1-CB 3.81Å; L735-C768 HydrophobicContact CD1-CB 4.26Å; L735-V771 HydrophobicContact CD1-CB 4.44Å; L735-V771 HydrophobicContact CD1-CG1 4.15Å; L735-V771 HydrophobicContact CD1-CG2 4.31Å |
| 736 | L | 89.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -40.5 | 179.9 | -64.6 | 166.7 | 0 | 0 | 0 | 111.3 | Y669 F681 I690 A692 L697 N732 E733 L734 F738 L739 H740 | Y669-L736 HydrophobicContact CE2-CB 4.17Å; F681-L736 HydrophobicContact CD2-CD1 3.83Å; F681-L736 HydrophobicContact CD2-CD2 4.44Å; F681-L736 HydrophobicContact CE2-CD1 4.08Å; F681-L736 HydrophobicContact CE2-CD2 3.86Å; I690-L736 HydrophobicContact CB-CD1 4.18Å; I690-L736 HydrophobicContact CG2-CD1 3.52Å; A692-L736 HydrophobicContact CB-CD1 4.44Å; A692-L736 HydrophobicContact CB-CD2 3.9Å; L697-L736 HydrophobicContact CD1-CD2 4.28Å; L697-L736 HydrophobicContact CD2-CD2 3.48Å; L697-L736 VanDerWaalsContact CD2-CD2 3.48Å; N732-L736 VanDerWaalsContact O-CG 3.23Å; N732-L736 WeakPolarHBondContact O-CG 3.5Å; N732-L736 PolarHBondContact O-N 3.22Å; E733-L736 PolarHBondContact O-N 2.88Å; L734-L736 VanDerWaalsContact C-N 3.31Å; L734-L736 PolarHBondContact O-N 3.4Å; L736-F738 PolarHBondContact O-N 2.92Å; L736-L739 PolarHBondContact O-N 3.08Å; L736-H740 PolarHBondContact O-CD2 3.38Å; L736-H740 VanDerWaalsContact O-CD2 3.27Å; L736-H740 PolarHBondContact O-N 3.45Å |
| 737 | H | 90.6 | Very high | 85.2 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 169.9 | -90.2 | -76.1 | 0 | 0 | 0 | 112.5 | C667 Y669 E733 L734 H740 G741 C742 V748 | C667-H737 PolarHBondContact SG-CE1 3.4Å; Y669-H737 VanDerWaalsContact CB-ND1 3.26Å; Y669-H737 WeakPolarHBondContact CB-ND1 3.44Å; Y669-H737 AromaticContact CD1-CE1 3.46Å; Y669-H737 VanDerWaalsContact CD1-CE1 3.46Å; Y669-H737 WeakPolarHBondContact CD1-CE1 3.46Å; Y669-H737 AromaticContact CD1-ND1 3.85Å; Y669-H737 AromaticContact CD1-NE2 3.76Å; Y669-H737 AromaticContact CG-CE1 3.76Å; Y669-H737 AromaticContact CG-ND1 3.66Å; E733-H737 PolarHBondContact O-CD2 2.93Å; E733-H737 PolarHBondContact O-N 2.88Å; L734-H737 WeakPolarHBondContact O-CB 3.48Å; L734-H737 PolarHBondContact O-N 3.29Å; H737-H740 CarbonylContact O-C 3.59Å; H737-H740 PolarHBondContact O-N 3Å; H737-G741 PolarHBondContact O-N 2.95Å; H737-C742 HydrophobicContact CB-CB 3.98Å; H737-C742 WeakPolarHBondContact O-CB 3.48Å; H737-C742 PolarHBondContact O-N 3.23Å; H737-C742 PolarHBondContact O-SG 3.37Å; H737-C742 VanDerWaalsContact O-SG 3.36Å; H737-V748 HydrophobicContact CB-CG1 3.34Å |
| 738 | F | 89.4 | Confident | 85.4 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.022 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 177.8 | -79 | -69.9 | 0 | 0 | 0 | 112.6 | L734 L735 L736 H740 G741 Y743 V748 L759 V771 H774 L775 | L734-F738 WeakPolarHBondContact O-CD2 3.13Å; L734-F738 PolarHBondContact O-N 2.95Å; L735-F738 PolarHBondContact O-N 3.36Å; L736-F738 PolarHBondContact O-N 2.92Å; F738-H740 VanDerWaalsContact C-N 3.26Å; F738-H740 PolarHBondContact O-N 3.23Å; F738-G741 WeakPolarHBondContact O-CA 3.08Å; F738-G741 PolarHBondContact O-N 3.09Å; F738-Y743 AromaticContact CD1-CD1 3.67Å; F738-Y743 HydrophobicContact CD1-CD1 3.67Å; F738-Y743 HydrophobicContact CD1-CE1 4.03Å; F738-Y743 HydrophobicContact CD1-CG 4.44Å; F738-Y743 HydrophobicContact CE1-CD1 4.04Å; F738-V748 HydrophobicContact CE1-CG2 4.37Å; F738-V748 HydrophobicContact CE2-CB 4.01Å; F738-V748 HydrophobicContact CE2-CG1 4.3Å; F738-V748 HydrophobicContact CZ-CB 3.92Å; F738-V748 HydrophobicContact CZ-CG1 4.45Å; F738-V748 HydrophobicContact CZ-CG2 4.06Å; F738-L759 HydrophobicContact CD2-CD2 4.05Å; F738-L759 HydrophobicContact CE2-CD2 3.67Å; F738-V771 HydrophobicContact CB-CG1 3.74Å; F738-V771 HydrophobicContact CB-CG2 4.05Å; F738-V771 HydrophobicContact CD1-CG1 4.47Å; F738-V771 HydrophobicContact CD2-CG1 4.2Å; F738-V771 HydrophobicContact CG-CG1 3.9Å; F738-H774 AromaticContact CE1-CD2 3.69Å; F738-H774 AromaticContact CE1-NE2 3.71Å; F738-L775 HydrophobicContact CE2-CD2 4.21Å; F738-L775 HydrophobicContact CZ-CD2 4.07Å |
| 739 | L | 88.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.5 | -27.7 | 175.1 | -67.9 | 170.7 | 0 | 0 | 0 | 112.9 | V696 L697 N700 Y704 L735 L736 G741 C768 V771 | V696-L739 WeakPolarHBondContact CG1-O 3.45Å; L697-L739 HydrophobicContact CD2-CD1 3.89Å; N700-L739 HydrophobicContact CB-CD2 3.74Å; Y704-L739 HydrophobicContact CD2-CD1 4.23Å; Y704-L739 HydrophobicContact CE2-CD1 3.8Å; L735-L739 HydrophobicContact CD1-CD1 4.47Å; L735-L739 HydrophobicContact CD1-CG 4.45Å; L735-L739 HydrophobicContact CG-CD1 4.05Å; L735-L739 HydrophobicContact CG-CG 4.45Å; L735-L739 WeakPolarHBondContact O-CG 3.46Å; L735-L739 PolarHBondContact O-N 3.14Å; L736-L739 PolarHBondContact O-N 3.08Å; L739-G741 PolarHBondContact O-N 2.83Å; L739-C768 HydrophobicContact CD2-CB 4.18Å; L739-V771 HydrophobicContact CD2-CG2 4.18Å |
| 740 | H | 86.6 | Confident | 85.8 | Confident | 22 Ų | 22 | 32.5 Ų | 32.5 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 10.1 | 168 | -80.5 | -95.6 | 0 | 0 | 0 | 113.5 | C668 Y669 P670 L736 H737 F738 | C668-H740 WeakPolarHBondContact CB-O 3.39Å; Y669-H740 HydrophobicContact CD2-CB 4Å; Y669-H740 AromaticContact CD2-CD2 3.61Å; Y669-H740 AromaticContact CD2-CG 3.74Å; Y669-H740 AromaticContact CE2-CD2 3.84Å; P670-H740 VanDerWaalsContact CD-CE1 3.47Å; P670-H740 WeakPolarHBondContact CD-CE1 3.17Å; P670-H740 WeakPolarHBondContact CD-ND1 3.4Å; L736-H740 PolarHBondContact O-CD2 3.38Å; L736-H740 VanDerWaalsContact O-CD2 3.27Å; L736-H740 PolarHBondContact O-N 3.45Å; H737-H740 CarbonylContact O-C 3.59Å; H737-H740 PolarHBondContact O-N 3Å; F738-H740 VanDerWaalsContact C-N 3.26Å; F738-H740 PolarHBondContact O-N 3.23Å |
| 741 | G | 83.8 | Confident | 85.9 | Confident | 32 Ų | 32 | 39 Ų | 39 | 33% | 0.33 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 14 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | H737 F738 L739 Y743 | H737-G741 PolarHBondContact O-N 2.95Å; F738-G741 WeakPolarHBondContact O-CA 3.08Å; F738-G741 PolarHBondContact O-N 3.09Å; L739-G741 PolarHBondContact O-N 2.83Å; G741-Y743 VanDerWaalsContact C-N 3.25Å; G741-Y743 VanDerWaalsContact O-CD2 3.27Å; G741-Y743 WeakPolarHBondContact O-CD2 3.2Å; G741-Y743 PolarHBondContact O-N 3Å |
| 742 | C | 86.1 | Confident | 86 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | trans | -80.5 | 48.3 | -174.3 | -59.7 | 0 | 0 | 0 | 0 | 114.5 | C668 Y669 H737 Y744 C745 V748 | C668-C742 PolarHBondContact N-SG 3.5Å; C668-C742 VanDerWaalsContact N-SG 3.39Å; Y669-C742 PolarHBondContact N-SG 2.98Å; H737-C742 HydrophobicContact CB-CB 3.98Å; H737-C742 WeakPolarHBondContact O-CB 3.48Å; H737-C742 PolarHBondContact O-N 3.23Å; H737-C742 PolarHBondContact O-SG 3.37Å; H737-C742 VanDerWaalsContact O-SG 3.36Å; C742-Y744 VanDerWaalsContact C-N 3.32Å; C742-Y744 PolarHBondContact O-N 3.33Å; C742-C745 HydrophobicContact CB-CB 3.83Å; C742-C745 PolarHBondContact O-N 3.09Å; C742-V748 HydrophobicContact CB-CG1 4.06Å; C742-V748 WeakPolarHBondContact O-CG1 3.42Å; C742-V748 WeakPolarHBondContact O-CG2 3.41Å | ||
| 743 | Y | 82.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 41.6 Ų | 41.6 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -35.9 | -171.1 | -63.2 | -78 | 0 | 0 | 0 | 115.3 | F738 G741 H770 H774 | F738-Y743 AromaticContact CD1-CD1 3.67Å; F738-Y743 HydrophobicContact CD1-CD1 3.67Å; F738-Y743 HydrophobicContact CD1-CE1 4.03Å; F738-Y743 HydrophobicContact CD1-CG 4.44Å; F738-Y743 HydrophobicContact CE1-CD1 4.04Å; G741-Y743 VanDerWaalsContact C-N 3.25Å; G741-Y743 VanDerWaalsContact O-CD2 3.27Å; G741-Y743 WeakPolarHBondContact O-CD2 3.2Å; G741-Y743 PolarHBondContact O-N 3Å; Y743-H770 PolarHBondContact OH-CD2 3.16Å; Y743-H774 HydrophobicContact CD1-CB 4.4Å; Y743-H774 AromaticContact CD1-CD2 3.66Å; Y743-H774 AromaticContact CD1-CE1 3.78Å; Y743-H774 AromaticContact CD1-CG 3.68Å; Y743-H774 AromaticContact CD1-ND1 3.76Å; Y743-H774 AromaticContact CD1-NE2 3.71Å; Y743-H774 HydrophobicContact CE1-CB 4.29Å |
| 744 | Y | 78.8 | Confident | 86.2 | Confident | 83 Ų | 83 | 43.6 Ų | 43.6 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 21.2 | -175.4 | -50.6 | -67.4 | 0 | 0 | 0 | 113.5 | E662 C742 | E662-Y744 HydrophobicContact CB-CD1 4.36Å; E662-Y744 HydrophobicContact CG-CE1 4.24Å; E662-Y744 WeakPolarHBondContact OE1-CE1 3.26Å; E662-Y744 WeakPolarHBondContact OE2-CD1 3.4Å; E662-Y744 VanDerWaalsContact OE2-CE1 3.31Å; E662-Y744 WeakPolarHBondContact OE2-CE1 3.31Å; C742-Y744 VanDerWaalsContact C-N 3.32Å; C742-Y744 PolarHBondContact O-N 3.33Å |
| 745 | C | 81.6 | Confident | 86.3 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.054 | 22% | 0.22 | C | C | . | . | trans | -74 | 144.2 | -179.8 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | C667 C742 S747 V748 | C667-C745 VanDerWaalsContact CB-SG 3.55Å; C742-C745 HydrophobicContact CB-CB 3.83Å; C742-C745 PolarHBondContact O-N 3.09Å; C745-S747 PolarHBondContact O-N 3.45Å; C745-S747 VanDerWaalsContact O-N 3.13Å; C745-S747 PolarHBondContact SG-N 2.87Å; C745-S747 VanDerWaalsContact SG-N 3.39Å; C745-V748 HydrophobicContact CB-CG2 4.27Å; C745-V748 WeakPolarHBondContact O-CG2 3.25Å; C745-V748 PolarHBondContact O-N 3.23Å | ||
| 746 | S | 78.9 | Confident | 86.4 | Confident | 108 Ų | 108 | 44.2 Ų | 44.2 | 76% | 0.755 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -57.1 | -28.5 | 174.4 | 58 | 0 | 0 | 0 | 0 | 113.6 | ||
| 747 | S | 81.1 | Confident | 86.5 | Confident | 47 Ų | 47 | 45 Ų | 45 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -71.2 | -24.1 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 114.6 | R730 C745 | R730-S747 PolarHBondContact NH1-O 3.25Å; R730-S747 PolarHBondContact NH2-O 2.97Å; C745-S747 PolarHBondContact O-N 3.45Å; C745-S747 VanDerWaalsContact O-N 3.13Å; C745-S747 PolarHBondContact SG-N 2.87Å; C745-S747 VanDerWaalsContact SG-N 3.39Å |
| 748 | V | 84.9 | Confident | 86.5 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -89.7 | -3.2 | -178 | -61.5 | 0 | 0 | 0 | 0 | 114.7 | L734 H737 F738 C742 C745 L750 | L734-V748 HydrophobicContact CD2-CB 4.23Å; L734-V748 WeakPolarHBondContact CD2-O 3.21Å; H737-V748 HydrophobicContact CB-CG1 3.34Å; F738-V748 HydrophobicContact CE1-CG2 4.37Å; F738-V748 HydrophobicContact CE2-CB 4.01Å; F738-V748 HydrophobicContact CE2-CG1 4.3Å; F738-V748 HydrophobicContact CZ-CB 3.92Å; F738-V748 HydrophobicContact CZ-CG1 4.45Å; F738-V748 HydrophobicContact CZ-CG2 4.06Å; C742-V748 HydrophobicContact CB-CG1 4.06Å; C742-V748 WeakPolarHBondContact O-CG1 3.42Å; C742-V748 WeakPolarHBondContact O-CG2 3.41Å; C745-V748 HydrophobicContact CB-CG2 4.27Å; C745-V748 WeakPolarHBondContact O-CG2 3.25Å; C745-V748 PolarHBondContact O-N 3.23Å; V748-L750 PolarHBondContact O-N 3.31Å; V748-L750 VanDerWaalsContact O-N 3.12Å |
| 749 | R | 83.5 | Confident | 86.6 | Confident | 165 Ų | 165 | 46.6 Ų | 46.6 | 62% | 0.623 | 23% | 0.231 | S | C | * | . | trans | -61.9 | 117.1 | -176 | -176 | 173.7 | 177 | 169.9 | 0 | 111.8 | ||||
| 750 | L | 86.6 | Confident | 86.9 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | trans | -63.3 | 147.2 | 173.5 | -63.5 | 173.1 | 0 | 0 | 0 | 111.7 | L734 V748 E755 C756 L759 L775 E779 W783 | L734-L750 HydrophobicContact CD1-CD2 3.89Å; V748-L750 PolarHBondContact O-N 3.31Å; V748-L750 VanDerWaalsContact O-N 3.12Å; L750-E755 HydrophobicContact CD2-CB 4.02Å; L750-C756 HydrophobicContact CD1-CB 3.9Å; L750-L759 HydrophobicContact CD2-CD2 4.05Å; L750-L775 HydrophobicContact CD1-CD2 4.4Å; L750-E779 HydrophobicContact CD1-CB 3.95Å; L750-E779 HydrophobicContact CD1-CG 3.94Å; L750-W783 HydrophobicContact CB-CZ2 3.95Å | ||
| 751 | R | 87.5 | Confident | 87.1 | Confident | 175 Ų | 175 | 48.5 Ų | 48.5 | 66% | 0.66 | 24% | 0.24 | S | C | * | . | trans | -113.4 | -30.4 | -175.2 | -56.6 | 176.5 | 176.9 | 167.7 | -1.5 | 113.7 | E755 W783 | R751-E755 VanDerWaalsContact CB-OE2 3.3Å; R751-E755 WeakPolarHBondContact CB-OE2 3.41Å; R751-E755 WeakPolarHBondContact CD-OE1 3.32Å; R751-E755 WeakPolarHBondContact CG-OE2 3.5Å; R751-E755 PolarHBondContact N-OE2 2.65Å; R751-W783 VanDerWaalsContact C-CH2 3.49Å; R751-W783 WeakPolarHBondContact O-CH2 3.45Å | ||
| 752 | S | 90.4 | Very high | 87.4 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -141.8 | 168.4 | 176.9 | 78.8 | 0 | 0 | 0 | 0 | 111.7 | E754 E755 C756 | S752-E754 VanDerWaalsContact CB-OE2 3.29Å; S752-E754 WeakPolarHBondContact CB-OE2 3.48Å; S752-E754 PolarHBondContact O-N 3.04Å; S752-E754 WeakPolarHBondContact OG-CB 3.35Å; S752-E754 PolarHBondContact OG-N 2.78Å; S752-E754 PolarHBondContact OG-OE2 3.25Å; S752-E755 PolarHBondContact O-N 2.86Å; S752-E755 PolarHBondContact OG-N 3.27Å; S752-C756 PolarHBondContact O-N 3.12Å |
| 753 | S | 89.6 | Confident | 87.7 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -28.8 | 170 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | C756 I757 N788 | S753-C756 WeakPolarHBondContact O-CB 3.42Å; S753-C756 PolarHBondContact O-N 3Å; S753-I757 WeakPolarHBondContact O-CB 3.45Å; S753-I757 WeakPolarHBondContact O-CD1 3.19Å; S753-I757 WeakPolarHBondContact O-CG1 3.49Å; S753-I757 PolarHBondContact O-N 3.24Å; S753-N788 WeakPolarHBondContact CB-ND2 3.44Å; S753-N788 PolarHBondContact OG-ND2 2.78Å |
| 754 | E | 90.8 | Very high | 88.1 | Confident | 111 Ų | 111 | 44.2 Ų | 44.2 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.5 | -44.5 | 177.8 | -53.2 | 134 | 148.3 | 0 | 0 | 110.2 | F727 S752 C756 I757 E758 | F727-E754 HydrophobicContact CE2-CB 4.36Å; F727-E754 HydrophobicContact CZ-CB 3.82Å; S752-E754 VanDerWaalsContact CB-OE2 3.29Å; S752-E754 WeakPolarHBondContact CB-OE2 3.48Å; S752-E754 PolarHBondContact O-N 3.04Å; S752-E754 WeakPolarHBondContact OG-CB 3.35Å; S752-E754 PolarHBondContact OG-N 2.78Å; S752-E754 PolarHBondContact OG-OE2 3.25Å; E754-C756 PolarHBondContact O-N 3.4Å; E754-I757 PolarHBondContact O-N 2.7Å; E754-E758 WeakPolarHBondContact O-CB 3.49Å; E754-E758 PolarHBondContact O-N 2.88Å |
| 755 | E | 90.7 | Very high | 88.6 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -37.1 | 173.5 | -73.2 | -171.6 | 166 | 0 | 0 | 111.3 | F727 L750 R751 S752 L759 | F727-E755 HydrophobicContact CE2-CG 3.72Å; F727-E755 HydrophobicContact CZ-CG 4.21Å; L750-E755 HydrophobicContact CD2-CB 4.02Å; R751-E755 VanDerWaalsContact CB-OE2 3.3Å; R751-E755 WeakPolarHBondContact CB-OE2 3.41Å; R751-E755 WeakPolarHBondContact CD-OE1 3.32Å; R751-E755 WeakPolarHBondContact CG-OE2 3.5Å; R751-E755 PolarHBondContact N-OE2 2.65Å; S752-E755 PolarHBondContact O-N 2.86Å; S752-E755 PolarHBondContact OG-N 3.27Å; E755-L759 WeakPolarHBondContact O-CB 3.45Å; E755-L759 PolarHBondContact O-N 2.97Å |
| 756 | C | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.2 | -45.5 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | L750 S752 S753 E754 I760 W783 F792 | L750-C756 HydrophobicContact CD1-CB 3.9Å; S752-C756 PolarHBondContact O-N 3.12Å; S753-C756 WeakPolarHBondContact O-CB 3.42Å; S753-C756 PolarHBondContact O-N 3Å; E754-C756 PolarHBondContact O-N 3.4Å; C756-I760 WeakPolarHBondContact O-CB 3.47Å; C756-I760 WeakPolarHBondContact O-CD1 3.35Å; C756-I760 VanDerWaalsContact O-CG1 3.25Å; C756-I760 WeakPolarHBondContact O-CG1 3.33Å; C756-I760 PolarHBondContact O-N 3.32Å; C756-W783 HydrophobicContact CB-CB 4.49Å; C756-W783 HydrophobicContact CB-CG 4.28Å; C756-F792 HydrophobicContact CB-CE1 4.41Å; C756-F792 HydrophobicContact CB-CZ 4.19Å |
| 757 | I | 91.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.087 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -46.9 | -179.9 | -69.6 | 164.4 | 0 | 0 | 0 | 110.6 | S753 E754 I760 H761 E791 F792 I795 | S753-I757 WeakPolarHBondContact O-CB 3.45Å; S753-I757 WeakPolarHBondContact O-CD1 3.19Å; S753-I757 WeakPolarHBondContact O-CG1 3.49Å; S753-I757 PolarHBondContact O-N 3.24Å; E754-I757 PolarHBondContact O-N 2.7Å; I757-I760 PolarHBondContact O-N 3.39Å; I757-H761 PolarHBondContact O-N 3.26Å; I757-E791 HydrophobicContact CD1-CB 3.91Å; I757-F792 HydrophobicContact CD1-CD1 4.39Å; I757-F792 HydrophobicContact CD1-CD2 3.89Å; I757-F792 HydrophobicContact CD1-CE1 4.36Å; I757-F792 HydrophobicContact CD1-CE2 3.87Å; I757-F792 HydrophobicContact CD1-CG 4.16Å; I757-F792 HydrophobicContact CD1-CZ 4.12Å; I757-F792 HydrophobicContact CG1-CD1 3.65Å; I757-F792 HydrophobicContact CG1-CD2 4.04Å; I757-F792 HydrophobicContact CG1-CE1 3.5Å; I757-F792 VanDerWaalsContact CG1-CE1 3.5Å; I757-F792 HydrophobicContact CG1-CE2 3.91Å; I757-F792 HydrophobicContact CG1-CG 3.92Å; I757-F792 HydrophobicContact CG1-CZ 3.64Å; I757-I795 HydrophobicContact CG2-CB 4.39Å; I757-I795 HydrophobicContact CG2-CG1 3.56Å |
| 758 | E | 90.8 | Very high | 89.9 | Confident | 47 Ų | 47 | 38.7 Ų | 38.7 | 22% | 0.22 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -41.8 | 178.2 | -179.1 | 56.7 | -156.3 | 0 | 0 | 111.5 | F727 C731 E754 I760 H761 L762 | F727-E758 HydrophobicContact CE1-CB 3.83Å; F727-E758 HydrophobicContact CE1-CG 3.91Å; F727-E758 HydrophobicContact CZ-CB 4.32Å; C731-E758 HydrophobicContact CB-CB 4.49Å; C731-E758 HydrophobicContact CB-CG 3.85Å; E754-E758 WeakPolarHBondContact O-CB 3.49Å; E754-E758 PolarHBondContact O-N 2.88Å; E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 3.36Å; E758-H761 WeakPolarHBondContact O-CB 3.46Å; E758-H761 PolarHBondContact O-N 3.18Å; E758-H761 VanDerWaalsContact O-N 3.15Å; E758-L762 HydrophobicContact CG-CD1 4Å; E758-L762 HydrophobicContact CG-CG 4.34Å; E758-L762 WeakPolarHBondContact O-CB 3.27Å; E758-L762 WeakPolarHBondContact O-CG 3.38Å; E758-L762 PolarHBondContact O-N 3.29Å; E758-L762 WeakPolarHBondContact OE1-CD1 3.44Å; E758-L762 WeakPolarHBondContact OE1-CD2 3.47Å; E758-L762 VanDerWaalsContact OE1-CG 3.26Å; E758-L762 WeakPolarHBondContact OE1-CG 3.36Å |
| 759 | L | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 176.1 | -177.2 | 64 | 0 | 0 | 0 | 112.2 | C731 L734 L735 F738 L750 E755 A763 L775 | C731-L759 WeakPolarHBondContact O-CD1 3.45Å; L734-L759 HydrophobicContact CB-CD1 3.94Å; L734-L759 HydrophobicContact CB-CD2 4.18Å; L735-L759 HydrophobicContact CB-CD1 3.77Å; L735-L759 HydrophobicContact CD1-CD1 4.44Å; F738-L759 HydrophobicContact CD2-CD2 4.05Å; F738-L759 HydrophobicContact CE2-CD2 3.67Å; L750-L759 HydrophobicContact CD2-CD2 4.05Å; E755-L759 WeakPolarHBondContact O-CB 3.45Å; E755-L759 PolarHBondContact O-N 2.97Å; L759-A763 WeakPolarHBondContact O-CB 3.34Å; L759-A763 PolarHBondContact O-N 2.93Å; L759-L775 HydrophobicContact CB-CD1 4.41Å; L759-L775 HydrophobicContact CD2-CD1 3.65Å; L759-L775 HydrophobicContact CD2-CD2 3.83Å; L759-L775 HydrophobicContact CD2-CG 4.4Å; L759-L775 HydrophobicContact CG-CD1 3.66Å |
| 760 | I | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 173 | -71.1 | 167.1 | 0 | 0 | 0 | 110.8 | C756 I757 E758 S764 V772 L775 V776 V780 F792 I795 I801 L804 | C756-I760 WeakPolarHBondContact O-CB 3.47Å; C756-I760 WeakPolarHBondContact O-CD1 3.35Å; C756-I760 VanDerWaalsContact O-CG1 3.25Å; C756-I760 WeakPolarHBondContact O-CG1 3.33Å; C756-I760 PolarHBondContact O-N 3.32Å; I757-I760 PolarHBondContact O-N 3.39Å; E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 3.36Å; I760-S764 VanDerWaalsContact O-CB 3.32Å; I760-S764 WeakPolarHBondContact O-CB 3.26Å; I760-S764 PolarHBondContact O-N 3.01Å; I760-V772 HydrophobicContact CG2-CG1 4.46Å; I760-L775 HydrophobicContact CD1-CB 4.34Å; I760-L775 HydrophobicContact CG1-CB 4.02Å; I760-L775 HydrophobicContact CG1-CD1 3.95Å; I760-V776 HydrophobicContact CD1-CG2 4.48Å; I760-V780 HydrophobicContact CD1-CG2 3.58Å; I760-F792 HydrophobicContact CD1-CE1 4.35Å; I760-I795 HydrophobicContact CG2-CG2 3.91Å; I760-I801 HydrophobicContact CG2-CD1 3.54Å; I760-L804 HydrophobicContact CD1-CD2 4.34Å; I760-L804 HydrophobicContact CG2-CD2 4.27Å |
| 761 | H | 91.7 | Very high | 90.5 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 31% | 0.31 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.8 | -178 | 95.3 | 0 | 0 | 0 | 112.1 | I757 E758 S765 I795 H799 | I757-H761 PolarHBondContact O-N 3.26Å; E758-H761 WeakPolarHBondContact O-CB 3.46Å; E758-H761 PolarHBondContact O-N 3.18Å; E758-H761 VanDerWaalsContact O-N 3.15Å; H761-S765 VanDerWaalsContact O-CB 3.28Å; H761-S765 WeakPolarHBondContact O-CB 3.33Å; H761-S765 PolarHBondContact O-N 2.96Å; H761-S765 PolarHBondContact O-OG 3.38Å; H761-I795 HydrophobicContact CB-CD1 4.39Å; H761-I795 HydrophobicContact CB-CG2 4.28Å; H761-H799 AromaticContact CE1-NE2 3.54Å; H761-H799 AromaticContact CG-NE2 3.6Å; H761-H799 AromaticContact ND1-CD2 3.88Å; H761-H799 AromaticContact ND1-NE2 3.12Å; H761-H799 PolarHBondContact ND1-NE2 3.24Å; H761-H799 VanDerWaalsContact ND1-NE2 3.12Å; H761-H799 PolarHBondContact O-NE2 3.03Å |
| 762 | L | 89.7 | Confident | 90.7 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | 177.8 | -69.2 | 172.7 | 0 | 0 | 0 | 112.3 | C731 L735 E758 S765 R766 | C731-L762 HydrophobicContact CB-CD1 3.54Å; L735-L762 HydrophobicContact CD2-CB 4.44Å; E758-L762 HydrophobicContact CG-CD1 4Å; E758-L762 HydrophobicContact CG-CG 4.34Å; E758-L762 WeakPolarHBondContact O-CB 3.27Å; E758-L762 WeakPolarHBondContact O-CG 3.38Å; E758-L762 PolarHBondContact O-N 3.29Å; E758-L762 WeakPolarHBondContact OE1-CD1 3.44Å; E758-L762 WeakPolarHBondContact OE1-CD2 3.47Å; E758-L762 VanDerWaalsContact OE1-CG 3.26Å; E758-L762 WeakPolarHBondContact OE1-CG 3.36Å; L762-S765 WeakPolarHBondContact CA-OG 3.48Å; L762-S765 PolarHBondContact O-OG 2.7Å; L762-R766 WeakPolarHBondContact O-CB 3.37Å; L762-R766 VanDerWaalsContact O-CD 3.32Å; L762-R766 WeakPolarHBondContact O-CD 3.48Å; L762-R766 VanDerWaalsContact O-CG 3.25Å; L762-R766 WeakPolarHBondContact O-CG 3.09Å; L762-R766 PolarHBondContact O-N 2.98Å |
| 763 | A | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L735 L759 R766 L767 C768 V771 V772 | L735-A763 HydrophobicContact CD1-CB 3.81Å; L759-A763 WeakPolarHBondContact O-CB 3.34Å; L759-A763 PolarHBondContact O-N 2.93Å; A763-R766 CarbonylContact O-C 3.5Å; A763-R766 PolarHBondContact O-N 2.66Å; A763-L767 PolarHBondContact O-N 2.87Å; A763-C768 HydrophobicContact CB-CB 4.24Å; A763-C768 VanDerWaalsContact O-CB 3.3Å; A763-C768 WeakPolarHBondContact O-CB 3.49Å; A763-C768 PolarHBondContact O-N 3.43Å; A763-V771 HydrophobicContact CB-CB 4.25Å; A763-V771 HydrophobicContact CB-CG1 4.33Å; A763-V772 HydrophobicContact CB-CG2 3.62Å |
| 764 | S | 91.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.2 | -45.5 | -178.6 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | I760 R766 L767 H799 | I760-S764 VanDerWaalsContact O-CB 3.32Å; I760-S764 WeakPolarHBondContact O-CB 3.26Å; I760-S764 PolarHBondContact O-N 3.01Å; S764-R766 PolarHBondContact O-N 3.04Å; S764-L767 PolarHBondContact O-N 3.09Å; S764-H799 WeakPolarHBondContact CB-ND1 3.28Å; S764-H799 VanDerWaalsContact OG-CB 3.27Å; S764-H799 WeakPolarHBondContact OG-CB 3.39Å; S764-H799 PolarHBondContact OG-ND1 3.48Å |
| 765 | S | 88.6 | Confident | 90.6 | Very high | 49 Ų | 49 | 28.1 Ų | 28.1 | 34% | 0.343 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.1 | -20.5 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | H761 L762 | H761-S765 VanDerWaalsContact O-CB 3.28Å; H761-S765 WeakPolarHBondContact O-CB 3.33Å; H761-S765 PolarHBondContact O-N 2.96Å; H761-S765 PolarHBondContact O-OG 3.38Å; L762-S765 WeakPolarHBondContact CA-OG 3.48Å; L762-S765 PolarHBondContact O-OG 2.7Å |
| 766 | R | 88.7 | Confident | 90.6 | Very high | 15 Ų | 15 | 27.5 Ų | 27.5 | 6% | 0.057 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 18.6 | 177.5 | -60.3 | 169 | -177.1 | -178 | -1.7 | 113 | S701 F703 Y704 N732 L762 A763 S764 C768 | S701-R766 PolarHBondContact OG-O 3.26Å; F703-R766 HydrophobicContact CB-CB 4.36Å; F703-R766 WeakPolarHBondContact CB-O 3.17Å; F703-R766 HydrophobicContact CD1-CB 4.05Å; F703-R766 HydrophobicContact CD1-CG 3.96Å; F703-R766 HydrophobicContact CE1-CG 4.11Å; F703-R766 HydrophobicContact CG-CB 4.23Å; F703-R766 HydrophobicContact CG-CG 4.38Å; Y704-R766 PolarHBondContact OH-NH1 3.39Å; N732-R766 VanDerWaalsContact OD1-CZ 3.23Å; N732-R766 PolarHBondContact OD1-NH1 2.92Å; N732-R766 PolarHBondContact OD1-NH2 3.31Å; L762-R766 WeakPolarHBondContact O-CB 3.37Å; L762-R766 VanDerWaalsContact O-CD 3.32Å; L762-R766 WeakPolarHBondContact O-CD 3.48Å; L762-R766 VanDerWaalsContact O-CG 3.25Å; L762-R766 WeakPolarHBondContact O-CG 3.09Å; L762-R766 PolarHBondContact O-N 2.98Å; A763-R766 CarbonylContact O-C 3.5Å; A763-R766 PolarHBondContact O-N 2.66Å; S764-R766 PolarHBondContact O-N 3.04Å; R766-C768 PolarHBondContact O-N 3.48Å; R766-C768 PolarHBondContact O-SG 3.32Å |
| 767 | L | 89.3 | Confident | 90.3 | Very high | 66 Ų | 66 | 31.9 Ų | 31.9 | 35% | 0.346 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 23.8 | 175 | -49.6 | 176.1 | 0 | 0 | 0 | 114 | E702 F703 A763 S764 F769 | E702-L767 HydrophobicContact CB-CD1 3.97Å; F703-L767 HydrophobicContact CB-CD1 4.35Å; F703-L767 HydrophobicContact CB-CG 4.37Å; A763-L767 PolarHBondContact O-N 2.87Å; S764-L767 PolarHBondContact O-N 3.09Å; L767-F769 HydrophobicContact CB-CD2 4.46Å; L767-F769 HydrophobicContact CB-CE2 3.85Å; L767-F769 HydrophobicContact CB-CZ 4.27Å; L767-F769 HydrophobicContact CD2-CE2 3.93Å; L767-F769 HydrophobicContact CD2-CZ 3.61Å; L767-F769 HydrophobicContact CG-CE2 4.48Å; L767-F769 VanDerWaalsContact O-CD2 3.31Å; L767-F769 WeakPolarHBondContact O-CD2 3.25Å; L767-F769 PolarHBondContact O-N 3.35Å |
| 768 | C | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -84.1 | 51.4 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | L735 L739 A763 R766 H770 V771 V772 | L735-C768 HydrophobicContact CD1-CB 4.26Å; L739-C768 HydrophobicContact CD2-CB 4.18Å; A763-C768 HydrophobicContact CB-CB 4.24Å; A763-C768 VanDerWaalsContact O-CB 3.3Å; A763-C768 WeakPolarHBondContact O-CB 3.49Å; A763-C768 PolarHBondContact O-N 3.43Å; R766-C768 PolarHBondContact O-N 3.48Å; R766-C768 PolarHBondContact O-SG 3.32Å; C768-H770 VanDerWaalsContact C-N 3.26Å; C768-H770 PolarHBondContact O-N 3.46Å; C768-H770 VanDerWaalsContact O-N 3.11Å; C768-V771 HydrophobicContact CB-CB 4.43Å; C768-V771 HydrophobicContact CB-CG2 4.13Å; C768-V771 WeakPolarHBondContact O-CB 3.08Å; C768-V771 PolarHBondContact O-N 3.49Å; C768-V772 PolarHBondContact O-N 3.49Å | ||
| 769 | F | 88.2 | Confident | 89.7 | Confident | 114 Ų | 114 | 34.7 Ų | 34.7 | 50% | 0.5 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.6 | -32 | -165.8 | -62.1 | -67.1 | 0 | 0 | 0 | 114.4 | L767 V771 V772 T773 | L767-F769 HydrophobicContact CB-CD2 4.46Å; L767-F769 HydrophobicContact CB-CE2 3.85Å; L767-F769 HydrophobicContact CB-CZ 4.27Å; L767-F769 HydrophobicContact CD2-CE2 3.93Å; L767-F769 HydrophobicContact CD2-CZ 3.61Å; L767-F769 HydrophobicContact CG-CE2 4.48Å; L767-F769 VanDerWaalsContact O-CD2 3.31Å; L767-F769 WeakPolarHBondContact O-CD2 3.25Å; L767-F769 PolarHBondContact O-N 3.35Å; F769-V771 VanDerWaalsContact C-N 3.31Å; F769-V771 PolarHBondContact O-N 3.33Å; F769-V772 WeakPolarHBondContact O-CB 3.27Å; F769-V772 PolarHBondContact O-N 2.92Å; F769-T773 PolarHBondContact O-N 3.19Å; F769-T773 PolarHBondContact O-OG1 2.94Å |
| 770 | H | 88.1 | Confident | 89.6 | Confident | 68 Ų | 68 | 34.7 Ų | 34.7 | 32% | 0.315 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.1 | -34.4 | 176.2 | 66 | -90.7 | 0 | 0 | 0 | 112.7 | N700 Y743 C768 H774 | N700-H770 PolarHBondContact O-CE1 3.09Å; Y743-H770 PolarHBondContact OH-CD2 3.16Å; C768-H770 VanDerWaalsContact C-N 3.26Å; C768-H770 PolarHBondContact O-N 3.46Å; C768-H770 VanDerWaalsContact O-N 3.11Å; H770-H774 PolarHBondContact O-N 3.42Å; H770-H774 VanDerWaalsContact O-N 3.09Å |
| 771 | V | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.4 | -41.7 | 173.4 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | L735 F738 L739 A763 C768 F769 T773 H774 L775 | L735-V771 HydrophobicContact CD1-CB 4.44Å; L735-V771 HydrophobicContact CD1-CG1 4.15Å; L735-V771 HydrophobicContact CD1-CG2 4.31Å; F738-V771 HydrophobicContact CB-CG1 3.74Å; F738-V771 HydrophobicContact CB-CG2 4.05Å; F738-V771 HydrophobicContact CD1-CG1 4.47Å; F738-V771 HydrophobicContact CD2-CG1 4.2Å; F738-V771 HydrophobicContact CG-CG1 3.9Å; L739-V771 HydrophobicContact CD2-CG2 4.18Å; A763-V771 HydrophobicContact CB-CB 4.25Å; A763-V771 HydrophobicContact CB-CG1 4.33Å; C768-V771 HydrophobicContact CB-CB 4.43Å; C768-V771 HydrophobicContact CB-CG2 4.13Å; C768-V771 WeakPolarHBondContact O-CB 3.08Å; C768-V771 PolarHBondContact O-N 3.49Å; F769-V771 VanDerWaalsContact C-N 3.31Å; F769-V771 PolarHBondContact O-N 3.33Å; V771-T773 PolarHBondContact O-N 3.29Å; V771-H774 PolarHBondContact O-N 3.17Å; V771-L775 HydrophobicContact CG1-CD1 3.85Å; V771-L775 HydrophobicContact CG1-CG 4.26Å; V771-L775 WeakPolarHBondContact O-CB 3.39Å; V771-L775 VanDerWaalsContact O-CG 3.28Å; V771-L775 WeakPolarHBondContact O-CG 3.47Å; V771-L775 PolarHBondContact O-N 2.81Å |
| 772 | V | 91.9 | Very high | 88.8 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -49.3 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | I760 A763 C768 F769 H774 L775 V776 I801 | I760-V772 HydrophobicContact CG2-CG1 4.46Å; A763-V772 HydrophobicContact CB-CG2 3.62Å; C768-V772 PolarHBondContact O-N 3.49Å; F769-V772 WeakPolarHBondContact O-CB 3.27Å; F769-V772 PolarHBondContact O-N 2.92Å; V772-H774 PolarHBondContact O-N 2.91Å; V772-L775 PolarHBondContact O-N 3.28Å; V772-V776 HydrophobicContact CG1-CG2 4.26Å; V772-V776 WeakPolarHBondContact O-CB 3.26Å; V772-V776 VanDerWaalsContact O-CG2 3.25Å; V772-V776 WeakPolarHBondContact O-CG2 3.28Å; V772-V776 PolarHBondContact O-N 3.39Å; V772-I801 HydrophobicContact CG1-CD1 3.77Å; V772-I801 HydrophobicContact CG1-CG1 4.13Å; V772-I801 HydrophobicContact CG1-CG2 3.8Å |
| 773 | T | 89.1 | Confident | 88.8 | Confident | 81 Ų | 81 | 43.3 Ų | 43.3 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.9 | -49.7 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | F769 V771 L775 V776 D777 | F769-T773 PolarHBondContact O-N 3.19Å; F769-T773 PolarHBondContact O-OG1 2.94Å; V771-T773 PolarHBondContact O-N 3.29Å; T773-L775 PolarHBondContact O-N 3.08Å; T773-V776 PolarHBondContact O-N 2.87Å; T773-D777 WeakPolarHBondContact CG2-OD2 3.43Å; T773-D777 WeakPolarHBondContact O-CB 3.34Å; T773-D777 PolarHBondContact O-N 3.3Å |
| 774 | H | 89.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 45 Ų | 45 | 13% | 0.13 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 178.5 | 173.7 | 79 | 0 | 0 | 0 | 112.6 | F738 Y743 H770 V771 V772 D777 K778 | F738-H774 AromaticContact CE1-CD2 3.69Å; F738-H774 AromaticContact CE1-NE2 3.71Å; Y743-H774 HydrophobicContact CD1-CB 4.4Å; Y743-H774 AromaticContact CD1-CD2 3.66Å; Y743-H774 AromaticContact CD1-CE1 3.78Å; Y743-H774 AromaticContact CD1-CG 3.68Å; Y743-H774 AromaticContact CD1-ND1 3.76Å; Y743-H774 AromaticContact CD1-NE2 3.71Å; Y743-H774 HydrophobicContact CE1-CB 4.29Å; H770-H774 PolarHBondContact O-N 3.42Å; H770-H774 VanDerWaalsContact O-N 3.09Å; V771-H774 PolarHBondContact O-N 3.17Å; V772-H774 PolarHBondContact O-N 2.91Å; H774-D777 PolarHBondContact O-N 3.28Å; H774-K778 WeakPolarHBondContact O-CB 3.23Å; H774-K778 PolarHBondContact O-N 2.95Å |
| 775 | L | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -64.1 | -43.6 | 178.8 | -69.7 | 169.3 | 0 | 0 | 0 | 111.9 | F738 L750 L759 I760 V771 V772 T773 D777 E779 V780 | F738-L775 HydrophobicContact CE2-CD2 4.21Å; F738-L775 HydrophobicContact CZ-CD2 4.07Å; L750-L775 HydrophobicContact CD1-CD2 4.4Å; L759-L775 HydrophobicContact CB-CD1 4.41Å; L759-L775 HydrophobicContact CD2-CD1 3.65Å; L759-L775 HydrophobicContact CD2-CD2 3.83Å; L759-L775 HydrophobicContact CD2-CG 4.4Å; L759-L775 HydrophobicContact CG-CD1 3.66Å; I760-L775 HydrophobicContact CD1-CB 4.34Å; I760-L775 HydrophobicContact CG1-CB 4.02Å; I760-L775 HydrophobicContact CG1-CD1 3.95Å; V771-L775 HydrophobicContact CG1-CD1 3.85Å; V771-L775 HydrophobicContact CG1-CG 4.26Å; V771-L775 WeakPolarHBondContact O-CB 3.39Å; V771-L775 VanDerWaalsContact O-CG 3.28Å; V771-L775 WeakPolarHBondContact O-CG 3.47Å; V771-L775 PolarHBondContact O-N 2.81Å; V772-L775 PolarHBondContact O-N 3.28Å; T773-L775 PolarHBondContact O-N 3.08Å; L775-D777 VanDerWaalsContact C-N 3.34Å; L775-D777 PolarHBondContact O-N 3.47Å; L775-E779 HydrophobicContact CD2-CB 4.4Å; L775-E779 PolarHBondContact O-N 3.38Å; L775-V780 WeakPolarHBondContact O-CG2 3.28Å; L775-V780 PolarHBondContact O-N 3.46Å |
| 776 | V | 90 | Very high | 88.2 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -64.2 | -38.9 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | I760 V772 T773 V780 I801 A803 L804 K807 | I760-V776 HydrophobicContact CD1-CG2 4.48Å; V772-V776 HydrophobicContact CG1-CG2 4.26Å; V772-V776 WeakPolarHBondContact O-CB 3.26Å; V772-V776 VanDerWaalsContact O-CG2 3.25Å; V772-V776 WeakPolarHBondContact O-CG2 3.28Å; V772-V776 PolarHBondContact O-N 3.39Å; T773-V776 PolarHBondContact O-N 2.87Å; V776-V780 HydrophobicContact CG2-CG2 4.47Å; V776-I801 HydrophobicContact CG2-CG2 4.03Å; V776-A803 HydrophobicContact CG1-CB 4.01Å; V776-L804 HydrophobicContact CG1-CB 4.17Å; V776-L804 HydrophobicContact CG2-CB 3.94Å; V776-L804 HydrophobicContact CG2-CD1 4.4Å; V776-L804 HydrophobicContact CG2-CD2 4.38Å; V776-L804 HydrophobicContact CG2-CG 4.47Å; V776-K807 HydrophobicContact CG1-CD 4.46Å; V776-K807 PolarHBondContact O-NZ 3.48Å |
| 777 | D | 85.6 | Confident | 88.1 | Confident | 92 Ų | 92 | 52.9 Ų | 52.9 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -76.9 | -49.2 | -178.8 | -74.4 | -25.7 | 0 | 0 | 0 | 113.3 | T773 H774 L775 K807 | T773-D777 WeakPolarHBondContact CG2-OD2 3.43Å; T773-D777 WeakPolarHBondContact O-CB 3.34Å; T773-D777 PolarHBondContact O-N 3.3Å; H774-D777 PolarHBondContact O-N 3.28Å; L775-D777 VanDerWaalsContact C-N 3.34Å; L775-D777 PolarHBondContact O-N 3.47Å; D777-K807 PolarHBondContact O-NZ 3.07Å; D777-K807 IonicContact OD1-NZ 2.75Å |
| 778 | K | 84.6 | Confident | 88 | Confident | 84 Ų | 84 | 50.4 Ų | 50.4 | 37% | 0.365 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -96 | -43.2 | -170.5 | -70.2 | -73.4 | -168 | 160 | 0 | 114.7 | E660 E662 H774 | E660-K778 IonicContact OE2-NZ 3.85Å; E660-K778 PolarHBondContact OE2-NZ 3.05Å; E662-K778 WeakPolarHBondContact OE1-CD 3.35Å; E662-K778 VanDerWaalsContact OE1-CE 3.31Å; E662-K778 WeakPolarHBondContact OE1-CE 3.31Å; E662-K778 IonicContact OE1-NZ 3.67Å; E662-K778 PolarHBondContact OE1-NZ 3.08Å; H774-K778 WeakPolarHBondContact O-CB 3.23Å; H774-K778 PolarHBondContact O-N 2.95Å |
| 779 | E | 86.8 | Confident | 88 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -98.3 | -37.5 | -172 | -85.5 | -70.7 | 148.7 | 0 | 0 | 114.2 | L750 L775 G781 R782 W783 | L750-E779 HydrophobicContact CD1-CB 3.95Å; L750-E779 HydrophobicContact CD1-CG 3.94Å; L775-E779 HydrophobicContact CD2-CB 4.4Å; L775-E779 PolarHBondContact O-N 3.38Å; E779-G781 PolarHBondContact O-N 2.97Å; E779-G781 VanDerWaalsContact O-N 3.11Å; E779-R782 WeakPolarHBondContact O-CB 3.49Å; E779-R782 PolarHBondContact O-N 3.31Å; E779-R782 IonicContact OE1-NH1 2.75Å; E779-R782 PolarHBondContact OE1-NH1 3.5Å; E779-W783 VanDerWaalsContact O-CD1 3.25Å; E779-W783 PolarHBondContact OE2-NE1 2.84Å |
| 780 | V | 89.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.8 | -35.7 | -176.6 | 162.2 | 0 | 0 | 0 | 0 | 112.8 | I760 L775 V776 R782 W783 L784 F792 L804 | I760-V780 HydrophobicContact CD1-CG2 3.58Å; L775-V780 WeakPolarHBondContact O-CG2 3.28Å; L775-V780 PolarHBondContact O-N 3.46Å; V776-V780 HydrophobicContact CG2-CG2 4.47Å; V780-R782 PolarHBondContact O-N 3.13Å; V780-R782 VanDerWaalsContact O-N 3.08Å; V780-W783 PolarHBondContact O-N 3.38Å; V780-L784 HydrophobicContact CG1-CB 3.99Å; V780-L784 HydrophobicContact CG1-CD2 4.22Å; V780-L784 VanDerWaalsContact O-CB 3.27Å; V780-L784 WeakPolarHBondContact O-CB 3.17Å; V780-L784 PolarHBondContact O-N 3.45Å; V780-F792 HydrophobicContact CG2-CE1 4Å; V780-L804 HydrophobicContact CB-CD1 4.34Å; V780-L804 HydrophobicContact CG1-CD1 3.53Å; V780-L804 HydrophobicContact CG2-CD1 3.96Å |
| 781 | G | 83.3 | Confident | 87.9 | Confident | 66 Ų | 66 | 49.1 Ų | 49.1 | 68% | 0.68 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.8 | -17.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E779 | E779-G781 PolarHBondContact O-N 2.97Å; E779-G781 VanDerWaalsContact O-N 3.11Å |
| 782 | R | 85.2 | Confident | 88 | Confident | 142 Ų | 142 | 49.2 Ų | 49.2 | 54% | 0.536 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -85.9 | -28.9 | 175.7 | -167 | -171.4 | -157.5 | 139.7 | 15.4 | 113.3 | E779 V780 | E779-R782 WeakPolarHBondContact O-CB 3.49Å; E779-R782 PolarHBondContact O-N 3.31Å; E779-R782 IonicContact OE1-NH1 2.75Å; E779-R782 PolarHBondContact OE1-NH1 3.5Å; V780-R782 PolarHBondContact O-N 3.13Å; V780-R782 VanDerWaalsContact O-N 3.08Å |
| 783 | W | 89 | Confident | 87.9 | Confident | 53 Ų | 53 | 49 Ų | 49 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -113.4 | -24.1 | -166.5 | -60.8 | 110.4 | 0 | 0 | 0 | 113.8 | L750 R751 C756 E779 V780 S785 N788 F792 | L750-W783 HydrophobicContact CB-CZ2 3.95Å; R751-W783 VanDerWaalsContact C-CH2 3.49Å; R751-W783 WeakPolarHBondContact O-CH2 3.45Å; C756-W783 HydrophobicContact CB-CB 4.49Å; C756-W783 HydrophobicContact CB-CG 4.28Å; E779-W783 VanDerWaalsContact O-CD1 3.25Å; E779-W783 PolarHBondContact OE2-NE1 2.84Å; V780-W783 PolarHBondContact O-N 3.38Å; W783-S785 PolarHBondContact O-N 3.02Å; W783-N788 PolarHBondContact O-ND2 3.43Å; W783-N788 PolarHBondContact O-OD1 2.9Å; W783-F792 HydrophobicContact CB-CE2 4.28Å; W783-F792 HydrophobicContact CB-CZ 3.91Å |
| 784 | L | 89.6 | Confident | 87.8 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | trans | -69.3 | 121.6 | 178.6 | 179.8 | 61.2 | 0 | 0 | 0 | 110.7 | V780 V789 F792 K807 L811 | V780-L784 HydrophobicContact CG1-CB 3.99Å; V780-L784 HydrophobicContact CG1-CD2 4.22Å; V780-L784 VanDerWaalsContact O-CB 3.27Å; V780-L784 WeakPolarHBondContact O-CB 3.17Å; V780-L784 PolarHBondContact O-N 3.45Å; L784-V789 HydrophobicContact CD1-CB 4.32Å; L784-V789 HydrophobicContact CD1-CG2 4.27Å; L784-F792 HydrophobicContact CB-CD2 4.45Å; L784-F792 HydrophobicContact CB-CE2 4.43Å; L784-F792 HydrophobicContact CD1-CB 3.9Å; L784-F792 HydrophobicContact CD1-CD2 3.69Å; L784-F792 HydrophobicContact CD1-CE2 4.46Å; L784-F792 HydrophobicContact CD1-CG 3.95Å; L784-K807 HydrophobicContact CD2-CB 3.99Å; L784-L811 HydrophobicContact CD1-CD2 4.27Å; L784-L811 HydrophobicContact CG-CD2 4.02Å | ||
| 785 | S | 88.3 | Confident | 87.8 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | trans | -147.8 | 164.6 | -171.9 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | W783 T787 N788 V789 | W783-S785 PolarHBondContact O-N 3.02Å; S785-T787 PolarHBondContact O-N 3.32Å; S785-T787 VanDerWaalsContact O-N 3.13Å; S785-T787 PolarHBondContact OG-OG1 3.36Å; S785-T787 VanDerWaalsContact OG-OG1 3.04Å; S785-N788 PolarHBondContact N-OD1 3.32Å; S785-N788 PolarHBondContact O-N 3.45Å; S785-N788 VanDerWaalsContact O-N 3.12Å; S785-N788 PolarHBondContact O-OD1 3Å; S785-N788 VanDerWaalsContact O-OD1 3.08Å; S785-N788 PolarHBondContact OG-ND2 3.21Å; S785-N788 PolarHBondContact OG-OD1 3.48Å; S785-V789 PolarHBondContact O-N 3.3Å | ||
| 786 | V | 83.3 | Confident | 87.8 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 38% | 0.376 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.6 | 179.5 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | V815 L822 | V786-V815 HydrophobicContact CG2-CG1 3.98Å; V786-L822 HydrophobicContact CG1-CD2 3.44Å; V786-L822 VanDerWaalsContact CG1-CD2 3.44Å |
| 787 | T | 85.7 | Confident | 87.7 | Confident | 137 Ų | 137 | 51.3 Ų | 51.3 | 84% | 0.84 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -18.1 | -178.2 | 39.6 | 0 | 0 | 0 | 0 | 115.4 | S785 | S785-T787 PolarHBondContact O-N 3.32Å; S785-T787 VanDerWaalsContact O-N 3.13Å; S785-T787 PolarHBondContact OG-OG1 3.36Å; S785-T787 VanDerWaalsContact OG-OG1 3.04Å |
| 788 | N | 88.7 | Confident | 87.7 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 4.6 | -176.9 | 63.7 | 16.1 | 0 | 0 | 0 | 114.2 | S753 W783 S785 I790 E791 F792 | S753-N788 WeakPolarHBondContact CB-ND2 3.44Å; S753-N788 PolarHBondContact OG-ND2 2.78Å; W783-N788 PolarHBondContact O-ND2 3.43Å; W783-N788 PolarHBondContact O-OD1 2.9Å; S785-N788 PolarHBondContact N-OD1 3.32Å; S785-N788 PolarHBondContact O-N 3.45Å; S785-N788 VanDerWaalsContact O-N 3.12Å; S785-N788 PolarHBondContact O-OD1 3Å; S785-N788 VanDerWaalsContact O-OD1 3.08Å; S785-N788 PolarHBondContact OG-ND2 3.21Å; S785-N788 PolarHBondContact OG-OD1 3.48Å; N788-I790 PolarHBondContact O-N 2.97Å; N788-E791 PolarHBondContact O-N 3.2Å; N788-F792 HydrophobicContact CB-CD2 4.43Å; N788-F792 PolarHBondContact O-N 3.25Å; N788-F792 VanDerWaalsContact O-N 3.11Å |
| 789 | V | 89.2 | Confident | 87.9 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.9 | -35.5 | 178.4 | 65.9 | 0 | 0 | 0 | 0 | 113 | L784 S785 E791 L793 C808 L811 L812 L822 | L784-V789 HydrophobicContact CD1-CB 4.32Å; L784-V789 HydrophobicContact CD1-CG2 4.27Å; S785-V789 PolarHBondContact O-N 3.3Å; V789-E791 PolarHBondContact O-N 3.5Å; V789-L793 WeakPolarHBondContact O-CB 3.25Å; V789-L793 PolarHBondContact O-N 3.26Å; V789-C808 HydrophobicContact CG2-CB 3.98Å; V789-L811 HydrophobicContact CB-CD2 4.11Å; V789-L811 HydrophobicContact CG2-CD2 4.17Å; V789-L812 HydrophobicContact CG1-CD2 4.11Å; V789-L812 HydrophobicContact CG2-CD2 4.22Å; V789-L812 HydrophobicContact CG2-CG 4.13Å; V789-L822 HydrophobicContact CG1-CD1 4.43Å; V789-L822 HydrophobicContact CG1-CD2 4.38Å |
| 790 | I | 86.8 | Confident | 87.9 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 178.5 | -61.1 | -179.9 | 0 | 0 | 0 | 111.3 | N788 R794 L822 T826 | N788-I790 PolarHBondContact O-N 2.97Å; I790-R794 WeakPolarHBondContact O-CB 3.36Å; I790-R794 PolarHBondContact O-N 2.99Å; I790-L822 HydrophobicContact CD1-CD1 4.11Å; I790-L822 HydrophobicContact CG1-CD1 4.48Å; I790-T826 HydrophobicContact CG1-CG2 4.42Å; I790-T826 WeakPolarHBondContact CG1-OG1 3.34Å |
| 791 | E | 88.5 | Confident | 87.9 | Confident | 105 Ų | 105 | 56.2 Ų | 56.2 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -77.4 | -43.4 | -179.6 | -61.5 | -163.7 | 133.5 | 0 | 0 | 112.1 | I757 N788 V789 L793 R794 I795 | I757-E791 HydrophobicContact CD1-CB 3.91Å; N788-E791 PolarHBondContact O-N 3.2Å; V789-E791 PolarHBondContact O-N 3.5Å; E791-L793 VanDerWaalsContact C-N 3.32Å; E791-L793 PolarHBondContact O-N 3.03Å; E791-R794 PolarHBondContact O-N 3.37Å; E791-I795 PolarHBondContact O-N 3.23Å |
| 792 | F | 91.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 170.2 | -85.8 | -70.8 | 0 | 0 | 0 | 111.2 | C756 I757 I760 V780 W783 L784 N788 I795 A796 L804 | C756-F792 HydrophobicContact CB-CE1 4.41Å; C756-F792 HydrophobicContact CB-CZ 4.19Å; I757-F792 HydrophobicContact CD1-CD1 4.39Å; I757-F792 HydrophobicContact CD1-CD2 3.89Å; I757-F792 HydrophobicContact CD1-CE1 4.36Å; I757-F792 HydrophobicContact CD1-CE2 3.87Å; I757-F792 HydrophobicContact CD1-CG 4.16Å; I757-F792 HydrophobicContact CD1-CZ 4.12Å; I757-F792 HydrophobicContact CG1-CD1 3.65Å; I757-F792 HydrophobicContact CG1-CD2 4.04Å; I757-F792 HydrophobicContact CG1-CE1 3.5Å; I757-F792 VanDerWaalsContact CG1-CE1 3.5Å; I757-F792 HydrophobicContact CG1-CE2 3.91Å; I757-F792 HydrophobicContact CG1-CG 3.92Å; I757-F792 HydrophobicContact CG1-CZ 3.64Å; I760-F792 HydrophobicContact CD1-CE1 4.35Å; V780-F792 HydrophobicContact CG2-CE1 4Å; W783-F792 HydrophobicContact CB-CE2 4.28Å; W783-F792 HydrophobicContact CB-CZ 3.91Å; L784-F792 HydrophobicContact CB-CD2 4.45Å; L784-F792 HydrophobicContact CB-CE2 4.43Å; L784-F792 HydrophobicContact CD1-CB 3.9Å; L784-F792 HydrophobicContact CD1-CD2 3.69Å; L784-F792 HydrophobicContact CD1-CE2 4.46Å; L784-F792 HydrophobicContact CD1-CG 3.95Å; N788-F792 HydrophobicContact CB-CD2 4.43Å; N788-F792 PolarHBondContact O-N 3.25Å; N788-F792 VanDerWaalsContact O-N 3.11Å; F792-I795 PolarHBondContact O-N 3.39Å; F792-A796 VanDerWaalsContact O-CB 3.26Å; F792-A796 WeakPolarHBondContact O-CB 3.43Å; F792-A796 PolarHBondContact O-N 3.39Å; F792-L804 HydrophobicContact CD1-CD1 4.15Å; F792-L804 HydrophobicContact CD1-CD2 4.4Å |
| 793 | L | 89.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.9 | -175.9 | 66.3 | 0 | 0 | 0 | 112 | V789 E791 I795 A796 L797 T805 C808 T826 V830 F839 | V789-L793 WeakPolarHBondContact O-CB 3.25Å; V789-L793 PolarHBondContact O-N 3.26Å; E791-L793 VanDerWaalsContact C-N 3.32Å; E791-L793 PolarHBondContact O-N 3.03Å; L793-I795 PolarHBondContact O-N 3.13Å; L793-A796 PolarHBondContact O-N 3.15Å; L793-L797 HydrophobicContact CD1-CD1 4Å; L793-L797 HydrophobicContact CD1-CG 4.04Å; L793-L797 HydrophobicContact CD2-CD1 4.45Å; L793-L797 HydrophobicContact CG-CD1 3.82Å; L793-L797 HydrophobicContact CG-CG 4.24Å; L793-L797 WeakPolarHBondContact O-CB 3.31Å; L793-L797 VanDerWaalsContact O-CG 3.25Å; L793-L797 WeakPolarHBondContact O-CG 3.45Å; L793-L797 PolarHBondContact O-N 2.86Å; L793-T805 HydrophobicContact CD1-CG2 3.78Å; L793-C808 HydrophobicContact CB-CB 4.2Å; L793-C808 HydrophobicContact CD1-CB 3.95Å; L793-T826 HydrophobicContact CD2-CG2 3.45Å; L793-T826 VanDerWaalsContact CD2-CG2 3.45Å; L793-V830 HydrophobicContact CD2-CG2 3.76Å; L793-V830 HydrophobicContact CG-CG2 4.4Å; L793-F839 HydrophobicContact CD1-CD2 4.09Å; L793-F839 HydrophobicContact CD1-CE2 4.16Å; L793-F839 HydrophobicContact CD2-CD2 4.26Å; L793-F839 HydrophobicContact CD2-CE2 3.95Å |
| 794 | R | 87.4 | Confident | 87.9 | Confident | 129 Ų | 129 | 47.7 Ų | 47.7 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 176.6 | 175.7 | 173 | -167.7 | 176.7 | 4.9 | 112 | I790 E791 S798 L833 | I790-R794 WeakPolarHBondContact O-CB 3.36Å; I790-R794 PolarHBondContact O-N 2.99Å; E791-R794 PolarHBondContact O-N 3.37Å; R794-S798 VanDerWaalsContact O-CB 3.28Å; R794-S798 WeakPolarHBondContact O-CB 3.41Å; R794-S798 PolarHBondContact O-N 3.33Å; R794-S798 PolarHBondContact O-OG 3.04Å; R794-L833 HydrophobicContact CB-CD1 4.14Å; R794-L833 HydrophobicContact CG-CD1 3.73Å; R794-L833 HydrophobicContact CG-CD2 4.5Å |
| 795 | I | 89.9 | Confident | 87.9 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.3 | -41.5 | 176 | -68.2 | -46.8 | 0 | 0 | 0 | 111.2 | I757 I760 H761 E791 F792 L793 L797 S798 H799 | I757-I795 HydrophobicContact CG2-CB 4.39Å; I757-I795 HydrophobicContact CG2-CG1 3.56Å; I760-I795 HydrophobicContact CG2-CG2 3.91Å; H761-I795 HydrophobicContact CB-CD1 4.39Å; H761-I795 HydrophobicContact CB-CG2 4.28Å; E791-I795 PolarHBondContact O-N 3.23Å; F792-I795 PolarHBondContact O-N 3.39Å; L793-I795 PolarHBondContact O-N 3.13Å; I795-L797 PolarHBondContact O-N 3.07Å; I795-S798 PolarHBondContact O-N 3.42Å; I795-H799 WeakPolarHBondContact O-CB 3.47Å; I795-H799 PolarHBondContact O-N 2.82Å; I795-H799 VanDerWaalsContact O-N 3.08Å |
| 796 | A | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58 | -48.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F792 L793 R800 I801 L804 T805 | F792-A796 VanDerWaalsContact O-CB 3.26Å; F792-A796 WeakPolarHBondContact O-CB 3.43Å; F792-A796 PolarHBondContact O-N 3.39Å; L793-A796 PolarHBondContact O-N 3.15Å; A796-R800 CarbonylContact O-C 3.56Å; A796-R800 WeakPolarHBondContact O-CA 3.38Å; A796-R800 PolarHBondContact O-N 3.4Å; A796-I801 PolarHBondContact O-N 3.49Å; A796-L804 HydrophobicContact CB-CB 3.81Å; A796-L804 HydrophobicContact CB-CD2 3.71Å; A796-L804 HydrophobicContact CB-CG 3.63Å; A796-T805 WeakPolarHBondContact CB-OG1 3Å |
| 797 | L | 88.1 | Confident | 87.9 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.4 | -44.9 | -179.7 | -66 | 173.9 | 0 | 0 | 0 | 111.7 | L793 I795 H799 R800 T805 V830 C835 E838 F839 | L793-L797 HydrophobicContact CD1-CD1 4Å; L793-L797 HydrophobicContact CD1-CG 4.04Å; L793-L797 HydrophobicContact CD2-CD1 4.45Å; L793-L797 HydrophobicContact CG-CD1 3.82Å; L793-L797 HydrophobicContact CG-CG 4.24Å; L793-L797 WeakPolarHBondContact O-CB 3.31Å; L793-L797 VanDerWaalsContact O-CG 3.25Å; L793-L797 WeakPolarHBondContact O-CG 3.45Å; L793-L797 PolarHBondContact O-N 2.86Å; I795-L797 PolarHBondContact O-N 3.07Å; L797-H799 PolarHBondContact O-N 3.27Å; L797-R800 PolarHBondContact O-N 3.01Å; L797-R800 VanDerWaalsContact O-N 3.1Å; L797-T805 HydrophobicContact CD2-CG2 3.72Å; L797-T805 HydrophobicContact CG-CG2 4.49Å; L797-V830 HydrophobicContact CD1-CB 4.48Å; L797-V830 HydrophobicContact CD1-CG1 3.99Å; L797-V830 HydrophobicContact CD1-CG2 3.72Å; L797-C835 HydrophobicContact CB-CB 3.72Å; L797-C835 HydrophobicContact CD1-CB 4.27Å; L797-E838 HydrophobicContact CD2-CB 3.8Å; L797-F839 HydrophobicContact CD1-CB 4.06Å; L797-F839 HydrophobicContact CD1-CD2 4.23Å; L797-F839 HydrophobicContact CD2-CB 3.95Å; L797-F839 HydrophobicContact CD2-CD2 4.43Å |
| 798 | S | 86.2 | Confident | 88 | Confident | 68 Ų | 68 | 40 Ų | 40 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.7 | -33.6 | 179 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | R794 I795 | R794-S798 VanDerWaalsContact O-CB 3.28Å; R794-S798 WeakPolarHBondContact O-CB 3.41Å; R794-S798 PolarHBondContact O-N 3.33Å; R794-S798 PolarHBondContact O-OG 3.04Å; I795-S798 PolarHBondContact O-N 3.42Å |
| 799 | H | 87.9 | Confident | 87.9 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 3.3 | 178.9 | -77.7 | -65.3 | 0 | 0 | 0 | 114.1 | H761 S764 I795 L797 I801 | H761-H799 AromaticContact CE1-NE2 3.54Å; H761-H799 AromaticContact CG-NE2 3.6Å; H761-H799 AromaticContact ND1-CD2 3.88Å; H761-H799 AromaticContact ND1-NE2 3.12Å; H761-H799 PolarHBondContact ND1-NE2 3.24Å; H761-H799 VanDerWaalsContact ND1-NE2 3.12Å; H761-H799 PolarHBondContact O-NE2 3.03Å; S764-H799 WeakPolarHBondContact CB-ND1 3.28Å; S764-H799 VanDerWaalsContact OG-CB 3.27Å; S764-H799 WeakPolarHBondContact OG-CB 3.39Å; S764-H799 PolarHBondContact OG-ND1 3.48Å; I795-H799 WeakPolarHBondContact O-CB 3.47Å; I795-H799 PolarHBondContact O-N 2.82Å; I795-H799 VanDerWaalsContact O-N 3.08Å; L797-H799 PolarHBondContact O-N 3.27Å; H799-I801 VanDerWaalsContact C-N 3.29Å; H799-I801 HydrophobicContact CB-CD1 3.67Å; H799-I801 HydrophobicContact CB-CG1 3.68Å; H799-I801 PolarHBondContact O-N 3.37Å |
| 800 | R | 87.4 | Confident | 87.6 | Confident | 186 Ų | 186 | 41.2 Ų | 41.2 | 70% | 0.702 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 37.3 | -178.8 | -62.2 | 178.1 | 171.6 | 166.8 | -3.2 | 114.5 | A796 L797 A802 E838 | A796-R800 CarbonylContact O-C 3.56Å; A796-R800 WeakPolarHBondContact O-CA 3.38Å; A796-R800 PolarHBondContact O-N 3.4Å; L797-R800 PolarHBondContact O-N 3.01Å; L797-R800 VanDerWaalsContact O-N 3.1Å; R800-A802 PolarHBondContact O-N 3.37Å; R800-A802 VanDerWaalsContact O-N 3.07Å; R800-E838 HydrophobicContact CG-CG 3.88Å; R800-E838 IonicContact CZ-OE1 3.21Å; R800-E838 IonicContact NE-OE1 2.9Å; R800-E838 PolarHBondContact NE-OE1 3.07Å; R800-E838 IonicContact NH2-OE1 2.68Å; R800-E838 PolarHBondContact NH2-OE1 3.05Å |
| 801 | I | 89.1 | Confident | 87.5 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | trans | -82.8 | 79.2 | -179.9 | -50 | 168.7 | 0 | 0 | 0 | 109.5 | I760 V772 V776 A796 H799 A803 L804 T805 | I760-I801 HydrophobicContact CG2-CD1 3.54Å; V772-I801 HydrophobicContact CG1-CD1 3.77Å; V772-I801 HydrophobicContact CG1-CG1 4.13Å; V772-I801 HydrophobicContact CG1-CG2 3.8Å; V776-I801 HydrophobicContact CG2-CG2 4.03Å; A796-I801 PolarHBondContact O-N 3.49Å; H799-I801 VanDerWaalsContact C-N 3.29Å; H799-I801 HydrophobicContact CB-CD1 3.67Å; H799-I801 HydrophobicContact CB-CG1 3.68Å; H799-I801 PolarHBondContact O-N 3.37Å; I801-A803 PolarHBondContact O-N 2.93Å; I801-L804 HydrophobicContact CB-CB 4.16Å; I801-L804 HydrophobicContact CG2-CB 3.73Å; I801-L804 WeakPolarHBondContact O-CB 3.46Å; I801-L804 PolarHBondContact O-N 3.48Å; I801-T805 PolarHBondContact O-N 2.86Å; I801-T805 VanDerWaalsContact O-N 3.14Å; I801-T805 PolarHBondContact O-OG1 2.77Å | ||
| 802 | A | 83.5 | Confident | 87.3 | Confident | 38 Ų | 38 | 35.4 Ų | 35.4 | 31% | 0.314 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -49.2 | -48.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R800 L804 T805 E806 | R800-A802 PolarHBondContact O-N 3.37Å; R800-A802 VanDerWaalsContact O-N 3.07Å; A802-L804 VanDerWaalsContact C-N 3.26Å; A802-L804 PolarHBondContact O-N 3.2Å; A802-T805 CarbonylContact O-C 3.57Å; A802-T805 WeakPolarHBondContact O-CB 3.39Å; A802-T805 PolarHBondContact O-N 2.96Å; A802-T805 VanDerWaalsContact O-N 3.08Å; A802-E806 PolarHBondContact O-N 2.93Å |
| 803 | A | 84.9 | Confident | 86.8 | Confident | 45 Ų | 45 | 35.4 Ų | 35.4 | 37% | 0.372 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.1 | -27.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V776 I801 K807 | V776-A803 HydrophobicContact CG1-CB 4.01Å; I801-A803 PolarHBondContact O-N 2.93Å; A803-K807 WeakPolarHBondContact O-CG 3.23Å; A803-K807 PolarHBondContact O-N 3.12Å |
| 804 | L | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.2 | -41.6 | 173.7 | -177.1 | 57.4 | 0 | 0 | 0 | 110.7 | I760 V776 V780 F792 A796 I801 A802 E806 K807 C808 | I760-L804 HydrophobicContact CD1-CD2 4.34Å; I760-L804 HydrophobicContact CG2-CD2 4.27Å; V776-L804 HydrophobicContact CG1-CB 4.17Å; V776-L804 HydrophobicContact CG2-CB 3.94Å; V776-L804 HydrophobicContact CG2-CD1 4.4Å; V776-L804 HydrophobicContact CG2-CD2 4.38Å; V776-L804 HydrophobicContact CG2-CG 4.47Å; V780-L804 HydrophobicContact CB-CD1 4.34Å; V780-L804 HydrophobicContact CG1-CD1 3.53Å; V780-L804 HydrophobicContact CG2-CD1 3.96Å; F792-L804 HydrophobicContact CD1-CD1 4.15Å; F792-L804 HydrophobicContact CD1-CD2 4.4Å; A796-L804 HydrophobicContact CB-CB 3.81Å; A796-L804 HydrophobicContact CB-CD2 3.71Å; A796-L804 HydrophobicContact CB-CG 3.63Å; I801-L804 HydrophobicContact CB-CB 4.16Å; I801-L804 HydrophobicContact CG2-CB 3.73Å; I801-L804 WeakPolarHBondContact O-CB 3.46Å; I801-L804 PolarHBondContact O-N 3.48Å; A802-L804 VanDerWaalsContact C-N 3.26Å; A802-L804 PolarHBondContact O-N 3.2Å; L804-E806 VanDerWaalsContact C-N 3.31Å; L804-E806 PolarHBondContact O-N 3.27Å; L804-K807 PolarHBondContact O-N 3.32Å; L804-C808 PolarHBondContact O-N 2.99Å; L804-C808 PolarHBondContact O-SG 3.28Å; L804-C808 VanDerWaalsContact O-SG 3.32Å |
| 805 | T | 88.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 173.3 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | L793 A796 L797 I801 A802 C808 M809 A842 | L793-T805 HydrophobicContact CD1-CG2 3.78Å; A796-T805 WeakPolarHBondContact CB-OG1 3Å; L797-T805 HydrophobicContact CD2-CG2 3.72Å; L797-T805 HydrophobicContact CG-CG2 4.49Å; I801-T805 PolarHBondContact O-N 2.86Å; I801-T805 VanDerWaalsContact O-N 3.14Å; I801-T805 PolarHBondContact O-OG1 2.77Å; A802-T805 CarbonylContact O-C 3.57Å; A802-T805 WeakPolarHBondContact O-CB 3.39Å; A802-T805 PolarHBondContact O-N 2.96Å; A802-T805 VanDerWaalsContact O-N 3.08Å; T805-C808 PolarHBondContact O-N 3.11Å; T805-M809 WeakPolarHBondContact O-CB 3.46Å; T805-M809 WeakPolarHBondContact O-CG 3.26Å; T805-M809 PolarHBondContact O-N 3Å; T805-A842 HydrophobicContact CG2-CB 3.3Å |
| 806 | E | 85.3 | Confident | 84.7 | Confident | 43 Ų | 43 | 33.9 Ų | 33.9 | 20% | 0.201 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -51.7 | 171.7 | -73.4 | -163.9 | 161.7 | 0 | 0 | 111.2 | A802 L804 C808 M809 E810 L846 N849 | A802-E806 PolarHBondContact O-N 2.93Å; L804-E806 VanDerWaalsContact C-N 3.31Å; L804-E806 PolarHBondContact O-N 3.27Å; E806-C808 PolarHBondContact O-N 2.84Å; E806-M809 WeakPolarHBondContact O-CB 3.43Å; E806-M809 PolarHBondContact O-N 3.1Å; E806-E810 VanDerWaalsContact O-CG 3.22Å; E806-E810 WeakPolarHBondContact O-CG 3.35Å; E806-E810 PolarHBondContact O-N 3.32Å; E806-L846 HydrophobicContact CB-CD1 4.06Å; E806-L846 HydrophobicContact CG-CB 4.11Å; E806-L846 HydrophobicContact CG-CD1 3.96Å; E806-L846 WeakPolarHBondContact OE1-CA 3.18Å; E806-N849 PolarHBondContact OE1-ND2 3.48Å |
| 807 | K | 86.3 | Confident | 83.4 | Confident | 62 Ų | 62 | 34.7 Ų | 34.7 | 27% | 0.27 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 178.6 | -73.1 | -175.6 | -175.7 | -176.3 | 0 | 113.1 | V776 D777 L784 A803 L804 E810 L811 | V776-K807 HydrophobicContact CG1-CD 4.46Å; V776-K807 PolarHBondContact O-NZ 3.48Å; D777-K807 PolarHBondContact O-NZ 3.07Å; D777-K807 IonicContact OD1-NZ 2.75Å; L784-K807 HydrophobicContact CD2-CB 3.99Å; A803-K807 WeakPolarHBondContact O-CG 3.23Å; A803-K807 PolarHBondContact O-N 3.12Å; L804-K807 PolarHBondContact O-N 3.32Å; K807-E810 PolarHBondContact O-N 3.33Å; K807-L811 PolarHBondContact O-N 2.98Å |
| 808 | C | 89 | Confident | 82.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 173.6 | -67.7 | 0 | 0 | 0 | 0 | 112 | V789 L793 L804 T805 E806 L811 L812 | V789-C808 HydrophobicContact CG2-CB 3.98Å; L793-C808 HydrophobicContact CB-CB 4.2Å; L793-C808 HydrophobicContact CD1-CB 3.95Å; L804-C808 PolarHBondContact O-N 2.99Å; L804-C808 PolarHBondContact O-SG 3.28Å; L804-C808 VanDerWaalsContact O-SG 3.32Å; T805-C808 PolarHBondContact O-N 3.11Å; E806-C808 PolarHBondContact O-N 2.84Å; C808-L811 PolarHBondContact O-N 3.12Å; C808-L812 WeakPolarHBondContact O-CG 3.39Å; C808-L812 PolarHBondContact O-N 2.74Å; C808-L812 VanDerWaalsContact O-N 3.1Å |
| 809 | M | 85.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 175.8 | -80.7 | -92.6 | -78.2 | 0 | 0 | 112.7 | T805 E806 L811 L812 F813 F839 A843 L846 | T805-M809 WeakPolarHBondContact O-CB 3.46Å; T805-M809 WeakPolarHBondContact O-CG 3.26Å; T805-M809 PolarHBondContact O-N 3Å; E806-M809 WeakPolarHBondContact O-CB 3.43Å; E806-M809 PolarHBondContact O-N 3.1Å; M809-L811 VanDerWaalsContact C-N 3.29Å; M809-L811 PolarHBondContact O-N 2.9Å; M809-L812 PolarHBondContact O-N 2.8Å; M809-F813 HydrophobicContact CB-CE2 4.27Å; M809-F813 HydrophobicContact CE-CE2 3.83Å; M809-F813 HydrophobicContact CE-CZ 3.81Å; M809-F813 WeakPolarHBondContact O-CD2 3.26Å; M809-F813 WeakPolarHBondContact O-CG 3.48Å; M809-F813 PolarHBondContact O-N 3.5Å; M809-F813 HydrophobicContact SD-CE2 4.31Å; M809-F813 HydrophobicContact SD-CZ 4.25Å; M809-F839 HydrophobicContact CG-CE2 3.96Å; M809-F839 HydrophobicContact CG-CZ 4.5Å; M809-F839 HydrophobicContact SD-CD2 4.45Å; M809-F839 HydrophobicContact SD-CE1 4.39Å; M809-F839 HydrophobicContact SD-CE2 3.49Å; M809-F839 WeakPolarHBondContact SD-CE2 3.32Å; M809-F839 HydrophobicContact SD-CZ 3.45Å; M809-F839 WeakPolarHBondContact SD-CZ 3.48Å; M809-A843 HydrophobicContact CE-CB 3.38Å; M809-L846 HydrophobicContact CB-CD2 3.96Å; M809-L846 HydrophobicContact CE-CD2 4.26Å |
| 810 | E | 83.2 | Confident | 80.6 | Confident | 39 Ų | 39 | 39 Ų | 39 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.3 | -44.3 | 173.6 | -65.7 | -135 | 129.2 | 0 | 0 | 112.1 | Y647 E806 K807 F813 K814 K850 | Y647-E810 HydrophobicContact CE2-CB 4.38Å; Y647-E810 HydrophobicContact CE2-CG 3.97Å; Y647-E810 WeakPolarHBondContact CE2-OE1 3.47Å; Y647-E810 PolarHBondContact OH-OE1 3.22Å; Y647-E810 PolarHBondContact OH-OE2 3.26Å; E806-E810 VanDerWaalsContact O-CG 3.22Å; E806-E810 WeakPolarHBondContact O-CG 3.35Å; E806-E810 PolarHBondContact O-N 3.32Å; K807-E810 PolarHBondContact O-N 3.33Å; E810-F813 PolarHBondContact O-N 2.99Å; E810-K814 WeakPolarHBondContact O-CB 3.19Å; E810-K814 VanDerWaalsContact O-CD 3.31Å; E810-K814 WeakPolarHBondContact O-CD 3.28Å; E810-K814 WeakPolarHBondContact O-CG 3.42Å; E810-K814 PolarHBondContact O-N 3.37Å; E810-K814 IonicContact OE2-NZ 3.52Å; E810-K814 PolarHBondContact OE2-NZ 2.81Å; E810-K850 IonicContact OE1-NZ 2.92Å; E810-K850 PolarHBondContact OE1-NZ 3.39Å |
| 811 | L | 84.4 | Confident | 79.9 | Confident | 32 Ų | 32 | 33 Ų | 33 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 178.4 | 178.6 | 61 | 0 | 0 | 0 | 110.8 | L784 V789 K807 C808 M809 F813 K814 V815 | L784-L811 HydrophobicContact CD1-CD2 4.27Å; L784-L811 HydrophobicContact CG-CD2 4.02Å; V789-L811 HydrophobicContact CB-CD2 4.11Å; V789-L811 HydrophobicContact CG2-CD2 4.17Å; K807-L811 PolarHBondContact O-N 2.98Å; C808-L811 PolarHBondContact O-N 3.12Å; M809-L811 VanDerWaalsContact C-N 3.29Å; M809-L811 PolarHBondContact O-N 2.9Å; L811-F813 PolarHBondContact O-N 2.68Å; L811-K814 WeakPolarHBondContact O-CB 3.5Å; L811-K814 PolarHBondContact O-N 3.29Å; L811-K814 VanDerWaalsContact O-N 3.1Å; L811-V815 HydrophobicContact CD1-CG1 3.95Å; L811-V815 WeakPolarHBondContact O-CG2 3.45Å; L811-V815 PolarHBondContact O-N 2.74Å |
| 812 | L | 84.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 177.5 | -64.8 | 167.8 | 0 | 0 | 0 | 112 | F640 V789 C808 M809 K814 V815 H816 L822 I823 T826 | F640-L812 HydrophobicContact CZ-CB 3.96Å; V789-L812 HydrophobicContact CG1-CD2 4.11Å; V789-L812 HydrophobicContact CG2-CD2 4.22Å; V789-L812 HydrophobicContact CG2-CG 4.13Å; C808-L812 WeakPolarHBondContact O-CG 3.39Å; C808-L812 PolarHBondContact O-N 2.74Å; C808-L812 VanDerWaalsContact O-N 3.1Å; M809-L812 PolarHBondContact O-N 2.8Å; L812-K814 VanDerWaalsContact C-N 3.31Å; L812-K814 PolarHBondContact O-N 2.66Å; L812-V815 PolarHBondContact O-N 3.05Å; L812-H816 WeakPolarHBondContact O-CB 3.4Å; L812-H816 PolarHBondContact O-N 3.27Å; L812-L822 HydrophobicContact CD2-CD2 4.5Å; L812-I823 HydrophobicContact CD2-CG1 4.2Å; L812-T826 HydrophobicContact CD1-CG2 3.98Å |
| 813 | F | 80.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -30.4 | 174.3 | -65.4 | -48.7 | 0 | 0 | 0 | 113.4 | F640 L643 S644 Y647 H648 M809 E810 L811 L846 F847 | F640-F813 HydrophobicContact CD1-CD1 4.24Å; F640-F813 HydrophobicContact CD1-CE1 4.25Å; F640-F813 AromaticContact CE1-CD1 3.4Å; F640-F813 HydrophobicContact CE1-CD1 3.4Å; F640-F813 AromaticContact CE1-CE1 3.61Å; F640-F813 HydrophobicContact CE1-CE1 3.61Å; F640-F813 HydrophobicContact CE1-CG 4.46Å; F640-F813 HydrophobicContact CE2-CE1 4.1Å; F640-F813 AromaticContact CZ-CD1 3.62Å; F640-F813 HydrophobicContact CZ-CD1 3.62Å; F640-F813 AromaticContact CZ-CE1 3.51Å; F640-F813 HydrophobicContact CZ-CE1 3.51Å; F640-F813 HydrophobicContact CZ-CZ 4.38Å; L643-F813 HydrophobicContact CB-CE1 3.81Å; L643-F813 HydrophobicContact CB-CZ 4.19Å; S644-F813 WeakPolarHBondContact OG-CD1 3.39Å; Y647-F813 HydrophobicContact CD1-CB 3.56Å; Y647-F813 HydrophobicContact CD1-CD2 4.28Å; Y647-F813 HydrophobicContact CD1-CG 4.23Å; Y647-F813 HydrophobicContact CD2-CB 4.45Å; Y647-F813 AromaticContact CD2-CD2 3.63Å; Y647-F813 HydrophobicContact CD2-CD2 3.63Å; Y647-F813 HydrophobicContact CD2-CE2 4.3Å; Y647-F813 HydrophobicContact CD2-CG 4.36Å; Y647-F813 HydrophobicContact CE1-CB 4.16Å; Y647-F813 HydrophobicContact CE2-CD2 4.33Å; Y647-F813 HydrophobicContact CG-CB 3.75Å; Y647-F813 AromaticContact CG-CD2 3.62Å; Y647-F813 HydrophobicContact CG-CD2 3.62Å; Y647-F813 HydrophobicContact CG-CE2 4.48Å; Y647-F813 AromaticContact CG-CG 3.89Å; Y647-F813 HydrophobicContact CG-CG 3.89Å; H648-F813 PolarHBondContact NE2-O 3.36Å; M809-F813 HydrophobicContact CB-CE2 4.27Å; M809-F813 HydrophobicContact CE-CE2 3.83Å; M809-F813 HydrophobicContact CE-CZ 3.81Å; M809-F813 WeakPolarHBondContact O-CD2 3.26Å; M809-F813 WeakPolarHBondContact O-CG 3.48Å; M809-F813 PolarHBondContact O-N 3.5Å; M809-F813 HydrophobicContact SD-CE2 4.31Å; M809-F813 HydrophobicContact SD-CZ 4.25Å; E810-F813 PolarHBondContact O-N 2.99Å; L811-F813 PolarHBondContact O-N 2.68Å; F813-L846 HydrophobicContact CD2-CD2 4.4Å; F813-L846 HydrophobicContact CE2-CD2 3.87Å; F813-F847 HydrophobicContact CE2-CE2 4.29Å; F813-F847 HydrophobicContact CE2-CZ 4.11Å; F813-F847 HydrophobicContact CZ-CE2 4.06Å; F813-F847 HydrophobicContact CZ-CZ 4.02Å |
| 814 | K | 76.5 | Confident | 78.4 | Confident | 97 Ų | 97 | 29.8 Ų | 29.8 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -72.5 | -35.6 | 174.9 | -71 | 162.4 | -164.1 | 170.2 | 0 | 112 | Y647 H648 E810 L811 L812 | Y647-K814 HydrophobicContact CE1-CG 4.32Å; Y647-K814 WeakPolarHBondContact OH-CE 3.32Å; Y647-K814 PolarHBondContact OH-NZ 2.77Å; H648-K814 VanDerWaalsContact CE1-CA 3.49Å; H648-K814 WeakPolarHBondContact CE1-CA 3.36Å; E810-K814 WeakPolarHBondContact O-CB 3.19Å; E810-K814 VanDerWaalsContact O-CD 3.31Å; E810-K814 WeakPolarHBondContact O-CD 3.28Å; E810-K814 WeakPolarHBondContact O-CG 3.42Å; E810-K814 PolarHBondContact O-N 3.37Å; E810-K814 IonicContact OE2-NZ 3.52Å; E810-K814 PolarHBondContact OE2-NZ 2.81Å; L811-K814 WeakPolarHBondContact O-CB 3.5Å; L811-K814 PolarHBondContact O-N 3.29Å; L811-K814 VanDerWaalsContact O-N 3.1Å; L812-K814 VanDerWaalsContact C-N 3.31Å; L812-K814 PolarHBondContact O-N 2.66Å |
| 815 | V | 75 | Confident | 77.8 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -99.6 | -7 | -177.2 | -52.4 | 0 | 0 | 0 | 0 | 115.7 | V786 L811 L812 F817 L818 D819 L822 | V786-V815 HydrophobicContact CG2-CG1 3.98Å; L811-V815 HydrophobicContact CD1-CG1 3.95Å; L811-V815 WeakPolarHBondContact O-CG2 3.45Å; L811-V815 PolarHBondContact O-N 2.74Å; L812-V815 PolarHBondContact O-N 3.05Å; V815-F817 PolarHBondContact O-N 3.27Å; V815-F817 VanDerWaalsContact O-N 3.07Å; V815-L818 WeakPolarHBondContact O-CA 3.24Å; V815-L818 WeakPolarHBondContact O-CB 3.16Å; V815-L818 PolarHBondContact O-N 3.07Å; V815-D819 PolarHBondContact O-N 2.85Å; V815-L822 HydrophobicContact CG2-CD2 4.34Å |
| 816 | H | 72.5 | Confident | 77.2 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -40.7 | 178 | 168 | -95 | 0 | 0 | 0 | 114.6 | F640 T641 L812 L818 F820 I823 | F640-H816 HydrophobicContact CD1-CB 4.34Å; F640-H816 AromaticContact CD1-CD2 3.44Å; F640-H816 VanDerWaalsContact CD1-CD2 3.44Å; F640-H816 WeakPolarHBondContact CD1-CD2 3.3Å; F640-H816 HydrophobicContact CE1-CB 4.17Å; T641-H816 WeakPolarHBondContact CA-NE2 3.27Å; T641-H816 WeakPolarHBondContact CB-NE2 3.44Å; T641-H816 VanDerWaalsContact CG2-NE2 3.26Å; T641-H816 WeakPolarHBondContact CG2-NE2 3.46Å; T641-H816 PolarHBondContact OG1-NE2 3.07Å; L812-H816 WeakPolarHBondContact O-CB 3.4Å; L812-H816 PolarHBondContact O-N 3.27Å; H816-L818 PolarHBondContact O-N 3.39Å; H816-F820 AromaticContact CD2-CD2 3.82Å; H816-I823 HydrophobicContact CB-CD1 3.58Å |
| 817 | F | 63.4 | Low | 76.6 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6 | -178.8 | -54.7 | -62.8 | 0 | 0 | 0 | 114 | R453 F542 P548 V645 H648 V815 | R453-F817 PolarHBondContact NH1-O 3.43Å; R453-F817 VanDerWaalsContact NH1-O 3.1Å; R453-F817 PolarHBondContact NH2-O 3.14Å; F542-F817 HydrophobicContact CE1-CD1 4.03Å; F542-F817 AromaticContact CE1-CE1 3.5Å; F542-F817 HydrophobicContact CE1-CE1 3.5Å; F542-F817 VanDerWaalsContact CE1-CE1 3.5Å; F542-F817 HydrophobicContact CE1-CZ 4.46Å; F542-F817 HydrophobicContact CZ-CD1 4.05Å; F542-F817 AromaticContact CZ-CE1 3.36Å; F542-F817 HydrophobicContact CZ-CE1 3.36Å; F542-F817 AromaticContact CZ-CZ 3.96Å; F542-F817 HydrophobicContact CZ-CZ 3.96Å; P548-F817 HydrophobicContact CG-CB 3.71Å; P548-F817 HydrophobicContact CG-CD1 4.27Å; P548-F817 HydrophobicContact CG-CD2 3.78Å; P548-F817 HydrophobicContact CG-CG 3.64Å; V645-F817 HydrophobicContact CG2-CZ 4.47Å; H648-F817 AromaticContact CD2-CE2 3.79Å; H648-F817 AromaticContact NE2-CD2 3.99Å; H648-F817 AromaticContact NE2-CE2 3.58Å; V815-F817 PolarHBondContact O-N 3.27Å; V815-F817 VanDerWaalsContact O-N 3.07Å |
| 818 | L | 64.4 | Low | 76.1 | Confident | 110 Ų | 110 | 33.4 Ų | 33.4 | 58% | 0.576 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -57.8 | 171.6 | -65.2 | 169.5 | 0 | 0 | 0 | 110.6 | M549 V815 H816 | M549-L818 HydrophobicContact CE-CD2 4.25Å; M549-L818 HydrophobicContact CG-CD2 3.84Å; V815-L818 WeakPolarHBondContact O-CA 3.24Å; V815-L818 WeakPolarHBondContact O-CB 3.16Å; V815-L818 PolarHBondContact O-N 3.07Å; H816-L818 PolarHBondContact O-N 3.39Å |
| 819 | D | 68.1 | Low | 75.6 | Confident | 65 Ų | 65 | 35.2 Ų | 35.2 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | trans | -127.7 | 111.2 | -176.8 | -168.6 | -17.3 | 0 | 0 | 0 | 111.3 | V815 A821 L822 | V815-D819 PolarHBondContact O-N 2.85Å; D819-A821 WeakPolarHBondContact OD1-CA 3.28Å; D819-A821 WeakPolarHBondContact OD1-CB 3.35Å; D819-A821 PolarHBondContact OD1-N 3.3Å; D819-L822 HydrophobicContact CB-CB 4.3Å; D819-L822 PolarHBondContact OD1-N 3.1Å | ||
| 820 | F | 70.9 | Confident | 75.1 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -94.1 | -21.9 | 173.4 | -179.5 | -107.8 | 0 | 0 | 0 | 112.7 | V633 Q637 H816 L822 I823 V824 | V633-F820 HydrophobicContact CG1-CE1 4.25Å; Q637-F820 HydrophobicContact CB-CD1 4.49Å; Q637-F820 HydrophobicContact CB-CE1 3.69Å; Q637-F820 HydrophobicContact CB-CE2 4Å; Q637-F820 HydrophobicContact CB-CZ 3.42Å; Q637-F820 VanDerWaalsContact CB-CZ 3.42Å; Q637-F820 HydrophobicContact CG-CD1 4.14Å; Q637-F820 HydrophobicContact CG-CD2 4.24Å; Q637-F820 HydrophobicContact CG-CE1 3.82Å; Q637-F820 HydrophobicContact CG-CE2 3.95Å; Q637-F820 HydrophobicContact CG-CG 4.36Å; Q637-F820 HydrophobicContact CG-CZ 3.75Å; H816-F820 AromaticContact CD2-CD2 3.82Å; F820-L822 VanDerWaalsContact C-N 3.34Å; F820-I823 HydrophobicContact CD2-CB 4.23Å; F820-I823 HydrophobicContact CD2-CG2 4.36Å; F820-I823 HydrophobicContact CE2-CB 4.4Å; F820-I823 HydrophobicContact CE2-CG2 4.08Å; F820-I823 PolarHBondContact O-N 3.42Å; F820-I823 VanDerWaalsContact O-N 3.11Å; F820-V824 HydrophobicContact CD1-CG2 3.99Å; F820-V824 HydrophobicContact CE1-CG2 3.38Å; F820-V824 HydrophobicContact CE2-CG2 4.4Å; F820-V824 HydrophobicContact CZ-CG2 3.6Å; F820-V824 PolarHBondContact O-N 3.13Å; F820-V824 VanDerWaalsContact O-N 3.14Å |
| 821 | A | 71.9 | Confident | 74.7 | Confident | 60 Ų | 60 | 35.2 Ų | 35.2 | 50% | 0.496 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | D819 I823 V824 D825 | D819-A821 WeakPolarHBondContact OD1-CA 3.28Å; D819-A821 WeakPolarHBondContact OD1-CB 3.35Å; D819-A821 PolarHBondContact OD1-N 3.3Å; A821-I823 PolarHBondContact O-N 2.73Å; A821-I823 VanDerWaalsContact O-N 3.15Å; A821-V824 PolarHBondContact O-N 3.32Å; A821-V824 VanDerWaalsContact O-N 3.14Å; A821-D825 PolarHBondContact O-N 3.11Å |
| 822 | L | 76.3 | Confident | 74.3 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.3 | -35.9 | 171.5 | 179.4 | 65.4 | 0 | 0 | 0 | 113 | V786 V789 I790 L812 V815 D819 F820 T826 | V786-L822 HydrophobicContact CG1-CD2 3.44Å; V786-L822 VanDerWaalsContact CG1-CD2 3.44Å; V789-L822 HydrophobicContact CG1-CD1 4.43Å; V789-L822 HydrophobicContact CG1-CD2 4.38Å; I790-L822 HydrophobicContact CD1-CD1 4.11Å; I790-L822 HydrophobicContact CG1-CD1 4.48Å; L812-L822 HydrophobicContact CD2-CD2 4.5Å; V815-L822 HydrophobicContact CG2-CD2 4.34Å; D819-L822 HydrophobicContact CB-CB 4.3Å; D819-L822 PolarHBondContact OD1-N 3.1Å; F820-L822 VanDerWaalsContact C-N 3.34Å; L822-T826 VanDerWaalsContact O-CB 3.24Å; L822-T826 WeakPolarHBondContact O-CB 3.41Å; L822-T826 PolarHBondContact O-N 3.2Å; L822-T826 PolarHBondContact O-OG1 2.79Å |
| 823 | I | 75.9 | Confident | 73.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.9 | -42 | -179 | -71.4 | 166.5 | 0 | 0 | 0 | 111 | F640 L812 H816 F820 A821 D825 T826 V827 | F640-I823 HydrophobicContact CB-CG2 4.35Å; F640-I823 HydrophobicContact CD1-CD1 3.89Å; F640-I823 HydrophobicContact CD1-CG2 4.07Å; F640-I823 HydrophobicContact CD2-CG2 3.52Å; F640-I823 HydrophobicContact CE1-CD1 3.6Å; F640-I823 HydrophobicContact CE1-CG1 4.35Å; F640-I823 HydrophobicContact CE1-CG2 4.28Å; F640-I823 HydrophobicContact CE2-CG2 3.76Å; F640-I823 HydrophobicContact CG-CG2 3.7Å; F640-I823 HydrophobicContact CZ-CD1 4.09Å; F640-I823 HydrophobicContact CZ-CG1 4.37Å; F640-I823 HydrophobicContact CZ-CG2 4.14Å; L812-I823 HydrophobicContact CD2-CG1 4.2Å; H816-I823 HydrophobicContact CB-CD1 3.58Å; F820-I823 HydrophobicContact CD2-CB 4.23Å; F820-I823 HydrophobicContact CD2-CG2 4.36Å; F820-I823 HydrophobicContact CE2-CB 4.4Å; F820-I823 HydrophobicContact CE2-CG2 4.08Å; F820-I823 PolarHBondContact O-N 3.42Å; F820-I823 VanDerWaalsContact O-N 3.11Å; A821-I823 PolarHBondContact O-N 2.73Å; A821-I823 VanDerWaalsContact O-N 3.15Å; I823-D825 VanDerWaalsContact C-N 3.31Å; I823-D825 PolarHBondContact O-N 2.75Å; I823-T826 PolarHBondContact O-N 3.06Å; I823-V827 WeakPolarHBondContact O-CB 3.49Å; I823-V827 WeakPolarHBondContact O-CG2 3.47Å; I823-V827 PolarHBondContact O-N 2.97Å |
| 824 | V | 73.7 | Confident | 73.5 | Confident | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 171.7 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | V633 L636 F820 A821 V827 K828 | V633-V824 HydrophobicContact CG1-CG2 4.1Å; L636-V824 HydrophobicContact CD2-CG2 4.29Å; F820-V824 HydrophobicContact CD1-CG2 3.99Å; F820-V824 HydrophobicContact CE1-CG2 3.38Å; F820-V824 HydrophobicContact CE2-CG2 4.4Å; F820-V824 HydrophobicContact CZ-CG2 3.6Å; F820-V824 PolarHBondContact O-N 3.13Å; F820-V824 VanDerWaalsContact O-N 3.14Å; A821-V824 PolarHBondContact O-N 3.32Å; A821-V824 VanDerWaalsContact O-N 3.14Å; V824-V827 PolarHBondContact O-N 2.77Å; V824-K828 HydrophobicContact CG1-CD 4.02Å; V824-K828 WeakPolarHBondContact O-CB 3.2Å; V824-K828 VanDerWaalsContact O-CG 3.31Å; V824-K828 WeakPolarHBondContact O-CG 3.42Å; V824-K828 PolarHBondContact O-N 3.45Å |
| 825 | D | 77.3 | Confident | 73.5 | Confident | 87 Ų | 87 | 42.3 Ų | 42.3 | 47% | 0.465 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.4 | -32.6 | -179.1 | -70.5 | -17.5 | 0 | 0 | 0 | 112.5 | A821 I823 S829 | A821-D825 PolarHBondContact O-N 3.11Å; I823-D825 VanDerWaalsContact C-N 3.31Å; I823-D825 PolarHBondContact O-N 2.75Å; D825-S829 VanDerWaalsContact O-CB 3.26Å; D825-S829 WeakPolarHBondContact O-CB 3.32Å; D825-S829 PolarHBondContact O-N 3.18Å; D825-S829 PolarHBondContact O-OG 3.42Å |
| 826 | T | 76.1 | Confident | 73.5 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 171.9 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | I790 L793 L812 L822 I823 K828 S829 V830 | I790-T826 HydrophobicContact CG1-CG2 4.42Å; I790-T826 WeakPolarHBondContact CG1-OG1 3.34Å; L793-T826 HydrophobicContact CD2-CG2 3.45Å; L793-T826 VanDerWaalsContact CD2-CG2 3.45Å; L812-T826 HydrophobicContact CD1-CG2 3.98Å; L822-T826 VanDerWaalsContact O-CB 3.24Å; L822-T826 WeakPolarHBondContact O-CB 3.41Å; L822-T826 PolarHBondContact O-N 3.2Å; L822-T826 PolarHBondContact O-OG1 2.79Å; I823-T826 PolarHBondContact O-N 3.06Å; T826-K828 PolarHBondContact O-N 3.44Å; T826-S829 WeakPolarHBondContact O-CB 3.25Å; T826-S829 PolarHBondContact O-N 3.14Å; T826-V830 WeakPolarHBondContact O-CG2 3.34Å; T826-V830 PolarHBondContact O-N 2.94Å |
| 827 | V | 73.3 | Confident | 73.7 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 178 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | L625 L636 I823 V824 S829 V830 A831 | L625-V827 WeakPolarHBondContact O-CG1 3.43Å; L636-V827 HydrophobicContact CD1-CG1 4.21Å; L636-V827 HydrophobicContact CD2-CB 4.32Å; L636-V827 HydrophobicContact CD2-CG1 4.22Å; L636-V827 HydrophobicContact CD2-CG2 4.47Å; I823-V827 WeakPolarHBondContact O-CB 3.49Å; I823-V827 WeakPolarHBondContact O-CG2 3.47Å; I823-V827 PolarHBondContact O-N 2.97Å; V824-V827 PolarHBondContact O-N 2.77Å; V827-S829 VanDerWaalsContact C-N 3.35Å; V827-S829 PolarHBondContact O-N 2.83Å; V827-V830 PolarHBondContact O-N 3.34Å; V827-A831 WeakPolarHBondContact O-CB 3.48Å; V827-A831 PolarHBondContact O-N 3.05Å |
| 828 | K | 75.5 | Confident | 74.6 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 174.6 | -74.9 | 174.8 | 179.2 | 177.2 | 0 | 112 | V824 T826 A831 I832 | V824-K828 HydrophobicContact CG1-CD 4.02Å; V824-K828 WeakPolarHBondContact O-CB 3.2Å; V824-K828 VanDerWaalsContact O-CG 3.31Å; V824-K828 WeakPolarHBondContact O-CG 3.42Å; V824-K828 PolarHBondContact O-N 3.45Å; T826-K828 PolarHBondContact O-N 3.44Å; K828-A831 PolarHBondContact O-N 2.82Å; K828-I832 WeakPolarHBondContact O-CB 3.28Å; K828-I832 WeakPolarHBondContact O-CD1 3.21Å; K828-I832 VanDerWaalsContact O-CG1 3.23Å; K828-I832 WeakPolarHBondContact O-CG1 3.49Å; K828-I832 PolarHBondContact O-N 2.88Å |
| 829 | S | 77.5 | Confident | 75.4 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.5 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | D825 T826 V827 A831 I832 L833 | D825-S829 VanDerWaalsContact O-CB 3.26Å; D825-S829 WeakPolarHBondContact O-CB 3.32Å; D825-S829 PolarHBondContact O-N 3.18Å; D825-S829 PolarHBondContact O-OG 3.42Å; T826-S829 WeakPolarHBondContact O-CB 3.25Å; T826-S829 PolarHBondContact O-N 3.14Å; V827-S829 VanDerWaalsContact C-N 3.35Å; V827-S829 PolarHBondContact O-N 2.83Å; S829-A831 PolarHBondContact O-N 2.97Å; S829-I832 PolarHBondContact O-N 2.92Å; S829-L833 WeakPolarHBondContact O-CB 3.31Å; S829-L833 WeakPolarHBondContact O-CD1 2.9Å; S829-L833 WeakPolarHBondContact O-CG 3.43Å; S829-L833 PolarHBondContact O-N 2.85Å; S829-L833 VanDerWaalsContact O-N 3.09Å |
| 830 | V | 76.4 | Confident | 75.8 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.4 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | L793 L797 T826 V827 L833 G834 F839 | L793-V830 HydrophobicContact CD2-CG2 3.76Å; L793-V830 HydrophobicContact CG-CG2 4.4Å; L797-V830 HydrophobicContact CD1-CB 4.48Å; L797-V830 HydrophobicContact CD1-CG1 3.99Å; L797-V830 HydrophobicContact CD1-CG2 3.72Å; T826-V830 WeakPolarHBondContact O-CG2 3.34Å; T826-V830 PolarHBondContact O-N 2.94Å; V827-V830 PolarHBondContact O-N 3.34Å; V830-L833 PolarHBondContact O-N 2.79Å; V830-G834 PolarHBondContact O-N 3.39Å; V830-F839 HydrophobicContact CG1-CB 3.74Å; V830-F839 HydrophobicContact CG1-CD1 4.41Å; V830-F839 HydrophobicContact CG1-CG 4.07Å |
| 831 | A | 73.3 | Confident | 76.2 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V827 K828 S829 L833 G834 | V827-A831 WeakPolarHBondContact O-CB 3.48Å; V827-A831 PolarHBondContact O-N 3.05Å; K828-A831 PolarHBondContact O-N 2.82Å; S829-A831 PolarHBondContact O-N 2.97Å; A831-L833 PolarHBondContact O-N 3.19Å; A831-G834 PolarHBondContact O-N 3.12Å; A831-G834 VanDerWaalsContact O-N 3.12Å |
| 832 | I | 76.3 | Confident | 76.5 | Confident | 146 Ų | 146 | 41.3 Ų | 41.3 | 75% | 0.749 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.5 | -32.3 | 176.8 | -70.6 | 163.9 | 0 | 0 | 0 | 111.9 | K828 S829 G834 | K828-I832 WeakPolarHBondContact O-CB 3.28Å; K828-I832 WeakPolarHBondContact O-CD1 3.21Å; K828-I832 VanDerWaalsContact O-CG1 3.23Å; K828-I832 WeakPolarHBondContact O-CG1 3.49Å; K828-I832 PolarHBondContact O-N 2.88Å; S829-I832 PolarHBondContact O-N 2.92Å; I832-G834 VanDerWaalsContact C-N 3.33Å |
| 833 | L | 74.4 | Confident | 76.6 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -78.9 | -14 | 178.2 | -69 | 165.8 | 0 | 0 | 0 | 113.9 | R794 S829 V830 A831 C835 | R794-L833 HydrophobicContact CB-CD1 4.14Å; R794-L833 HydrophobicContact CG-CD1 3.73Å; R794-L833 HydrophobicContact CG-CD2 4.5Å; S829-L833 WeakPolarHBondContact O-CB 3.31Å; S829-L833 WeakPolarHBondContact O-CD1 2.9Å; S829-L833 WeakPolarHBondContact O-CG 3.43Å; S829-L833 PolarHBondContact O-N 2.85Å; S829-L833 VanDerWaalsContact O-N 3.09Å; V830-L833 PolarHBondContact O-N 2.79Å; A831-L833 PolarHBondContact O-N 3.19Å; L833-C835 PolarHBondContact O-N 2.59Å |
| 834 | G | 75.1 | Confident | 76.7 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 58% | 0.577 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | -2.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V830 A831 I832 A836 | V830-G834 PolarHBondContact O-N 3.39Å; A831-G834 PolarHBondContact O-N 3.12Å; A831-G834 VanDerWaalsContact O-N 3.12Å; I832-G834 VanDerWaalsContact C-N 3.33Å; G834-A836 PolarHBondContact O-N 3.29Å |
| 835 | C | 77.4 | Confident | 76.8 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | trans | -81.3 | 36.4 | 178.1 | -46.2 | 0 | 0 | 0 | 0 | 112.6 | L797 L833 E838 F839 | L797-C835 HydrophobicContact CB-CB 3.72Å; L797-C835 HydrophobicContact CD1-CB 4.27Å; L833-C835 PolarHBondContact O-N 2.59Å; C835-E838 WeakPolarHBondContact CA-OE2 3.36Å; C835-F839 PolarHBondContact O-N 3.2Å | ||
| 836 | A | 74.8 | Confident | 76.7 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -79.4 | -44 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I626 G834 E838 F839 C840 | I626-A836 HydrophobicContact CD1-CB 4.03Å; I626-A836 WeakPolarHBondContact CD1-O 3.43Å; I626-A836 HydrophobicContact CG2-CB 3.67Å; G834-A836 PolarHBondContact O-N 3.29Å; A836-E838 VanDerWaalsContact C-N 3.29Å; A836-E838 PolarHBondContact O-N 2.93Å; A836-F839 PolarHBondContact O-N 3.22Å; A836-F839 VanDerWaalsContact O-N 3.13Å; A836-C840 WeakPolarHBondContact O-CB 3.44Å; A836-C840 PolarHBondContact O-N 2.88Å |
| 837 | D | 76.7 | Confident | 76.5 | Confident | 123 Ų | 123 | 42.7 Ų | 42.7 | 66% | 0.658 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.4 | -37.9 | 175.1 | -70.7 | -32.8 | 0 | 0 | 0 | 111.5 | F839 C840 L841 | D837-F839 PolarHBondContact O-N 2.96Å; D837-C840 WeakPolarHBondContact O-CB 3.49Å; D837-C840 PolarHBondContact O-N 3.46Å; D837-L841 WeakPolarHBondContact O-CB 3.48Å; D837-L841 VanDerWaalsContact O-CG 3.31Å; D837-L841 WeakPolarHBondContact O-CG 3.39Å; D837-L841 PolarHBondContact O-N 2.93Å |
| 838 | E | 81.1 | Confident | 76.3 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 172.3 | -74.2 | 77.4 | -173.2 | 0 | 0 | 113 | L797 R800 C835 A836 C840 L841 A842 | L797-E838 HydrophobicContact CD2-CB 3.8Å; R800-E838 HydrophobicContact CG-CG 3.88Å; R800-E838 IonicContact CZ-OE1 3.21Å; R800-E838 IonicContact NE-OE1 2.9Å; R800-E838 PolarHBondContact NE-OE1 3.07Å; R800-E838 IonicContact NH2-OE1 2.68Å; R800-E838 PolarHBondContact NH2-OE1 3.05Å; C835-E838 WeakPolarHBondContact CA-OE2 3.36Å; A836-E838 VanDerWaalsContact C-N 3.29Å; A836-E838 PolarHBondContact O-N 2.93Å; E838-C840 VanDerWaalsContact C-N 3.34Å; E838-L841 PolarHBondContact O-N 3.42Å; E838-A842 WeakPolarHBondContact O-CB 3.47Å; E838-A842 PolarHBondContact O-N 2.84Å |
| 839 | F | 80.9 | Confident | 75.8 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 177.2 | -176 | -109 | 0 | 0 | 0 | 111.1 | L625 I626 L793 L797 M809 V830 C835 A836 D837 L841 A843 | L625-F839 HydrophobicContact CD1-CE1 4.22Å; I626-F839 HydrophobicContact CD1-CD1 4.22Å; L793-F839 HydrophobicContact CD1-CD2 4.09Å; L793-F839 HydrophobicContact CD1-CE2 4.16Å; L793-F839 HydrophobicContact CD2-CD2 4.26Å; L793-F839 HydrophobicContact CD2-CE2 3.95Å; L797-F839 HydrophobicContact CD1-CB 4.06Å; L797-F839 HydrophobicContact CD1-CD2 4.23Å; L797-F839 HydrophobicContact CD2-CB 3.95Å; L797-F839 HydrophobicContact CD2-CD2 4.43Å; M809-F839 HydrophobicContact CG-CE2 3.96Å; M809-F839 HydrophobicContact CG-CZ 4.5Å; M809-F839 HydrophobicContact SD-CD2 4.45Å; M809-F839 HydrophobicContact SD-CE1 4.39Å; M809-F839 HydrophobicContact SD-CE2 3.49Å; M809-F839 WeakPolarHBondContact SD-CE2 3.32Å; M809-F839 HydrophobicContact SD-CZ 3.45Å; M809-F839 WeakPolarHBondContact SD-CZ 3.48Å; V830-F839 HydrophobicContact CG1-CB 3.74Å; V830-F839 HydrophobicContact CG1-CD1 4.41Å; V830-F839 HydrophobicContact CG1-CG 4.07Å; C835-F839 PolarHBondContact O-N 3.2Å; A836-F839 PolarHBondContact O-N 3.22Å; A836-F839 VanDerWaalsContact O-N 3.13Å; D837-F839 PolarHBondContact O-N 2.96Å; F839-L841 VanDerWaalsContact C-N 3.35Å; F839-L841 PolarHBondContact O-N 3.48Å; F839-A843 WeakPolarHBondContact O-CB 3.39Å; F839-A843 PolarHBondContact O-N 3.44Å |
| 840 | C | 77.4 | Confident | 75 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 175.8 | -141.9 | 0 | 0 | 0 | 0 | 112.6 | C622 I626 A836 D837 E838 K844 | C622-C840 PolarHBondContact O-SG 2.83Å; I626-C840 HydrophobicContact CD1-CB 3.76Å; A836-C840 WeakPolarHBondContact O-CB 3.44Å; A836-C840 PolarHBondContact O-N 2.88Å; D837-C840 WeakPolarHBondContact O-CB 3.49Å; D837-C840 PolarHBondContact O-N 3.46Å; E838-C840 VanDerWaalsContact C-N 3.34Å; C840-K844 WeakPolarHBondContact O-CD 3.35Å; C840-K844 VanDerWaalsContact O-CG 3.26Å; C840-K844 WeakPolarHBondContact O-CG 3.25Å; C840-K844 PolarHBondContact O-N 3.3Å |
| 841 | L | 79.8 | Confident | 73.9 | Confident | 98 Ų | 98 | 46.7 Ų | 46.7 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -53.4 | 174.9 | -79.8 | 163.1 | 0 | 0 | 0 | 111.5 | D837 E838 F839 A843 K844 E845 | D837-L841 WeakPolarHBondContact O-CB 3.48Å; D837-L841 VanDerWaalsContact O-CG 3.31Å; D837-L841 WeakPolarHBondContact O-CG 3.39Å; D837-L841 PolarHBondContact O-N 2.93Å; E838-L841 PolarHBondContact O-N 3.42Å; F839-L841 VanDerWaalsContact C-N 3.35Å; F839-L841 PolarHBondContact O-N 3.48Å; L841-A843 PolarHBondContact O-N 2.91Å; L841-K844 WeakPolarHBondContact O-CA 3.33Å; L841-K844 WeakPolarHBondContact O-CB 3.35Å; L841-K844 PolarHBondContact O-N 3.32Å; L841-E845 PolarHBondContact O-N 2.66Å |
| 842 | A | 77.8 | Confident | 72.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -33 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | T805 E838 E845 L846 | T805-A842 HydrophobicContact CG2-CB 3.3Å; E838-A842 WeakPolarHBondContact O-CB 3.47Å; E838-A842 PolarHBondContact O-N 2.84Å; A842-E845 PolarHBondContact O-N 2.88Å; A842-L846 WeakPolarHBondContact O-CB 3.37Å; A842-L846 PolarHBondContact O-N 3.33Å |
| 843 | A | 78.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C622 M809 F839 L841 F847 | C622-A843 HydrophobicContact CB-CB 4.34Å; M809-A843 HydrophobicContact CE-CB 3.38Å; F839-A843 WeakPolarHBondContact O-CB 3.39Å; F839-A843 PolarHBondContact O-N 3.44Å; L841-A843 PolarHBondContact O-N 2.91Å; A843-F847 VanDerWaalsContact O-CD2 3.24Å; A843-F847 WeakPolarHBondContact O-CD2 3.48Å; A843-F847 PolarHBondContact O-N 2.89Å |
| 844 | K | 77 | Confident | 69.8 | Low | 63 Ų | 63 | 51 Ų | 51 | 27% | 0.274 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 176.4 | -68.4 | 161.7 | -169.7 | 173.4 | 0 | 111.2 | A619 C622 D623 C840 L841 S848 | A619-K844 HydrophobicContact CB-CD 4.4Å; A619-K844 HydrophobicContact CB-CG 4.48Å; C622-K844 HydrophobicContact CB-CG 4.26Å; D623-K844 WeakPolarHBondContact OD1-CE 3.22Å; D623-K844 IonicContact OD1-NZ 2.7Å; D623-K844 PolarHBondContact OD1-NZ 3.26Å; D623-K844 IonicContact OD2-NZ 2.65Å; C840-K844 WeakPolarHBondContact O-CD 3.35Å; C840-K844 VanDerWaalsContact O-CG 3.26Å; C840-K844 WeakPolarHBondContact O-CG 3.25Å; C840-K844 PolarHBondContact O-N 3.3Å; L841-K844 WeakPolarHBondContact O-CA 3.33Å; L841-K844 WeakPolarHBondContact O-CB 3.35Å; L841-K844 PolarHBondContact O-N 3.32Å; K844-S848 WeakPolarHBondContact O-CB 3.47Å; K844-S848 PolarHBondContact O-N 2.94Å; K844-S848 PolarHBondContact O-OG 3.09Å |
| 845 | E | 76.1 | Confident | 68.1 | Low | 85 Ų | 85 | 54.4 Ų | 54.4 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -55.3 | 175.8 | -72 | -177.7 | 161.6 | 0 | 0 | 111.4 | L841 A842 F847 S848 N849 | L841-E845 PolarHBondContact O-N 2.66Å; A842-E845 PolarHBondContact O-N 2.88Å; E845-F847 VanDerWaalsContact C-N 3.3Å; E845-F847 PolarHBondContact O-N 3.38Å; E845-S848 WeakPolarHBondContact CA-OG 3.45Å; E845-S848 PolarHBondContact O-N 2.92Å; E845-S848 PolarHBondContact O-OG 2.84Å; E845-N849 WeakPolarHBondContact O-CB 3.38Å; E845-N849 VanDerWaalsContact O-CG 3.25Å; E845-N849 PolarHBondContact O-N 3.29Å; E845-N849 PolarHBondContact O-ND2 2.85Å |
| 846 | L | 76.2 | Confident | 66.5 | Low | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -48 | -49.3 | 178.3 | 178.3 | 63.9 | 0 | 0 | 0 | 112.8 | E806 M809 F813 A842 K850 | E806-L846 HydrophobicContact CB-CD1 4.06Å; E806-L846 HydrophobicContact CG-CB 4.11Å; E806-L846 HydrophobicContact CG-CD1 3.96Å; E806-L846 WeakPolarHBondContact OE1-CA 3.18Å; M809-L846 HydrophobicContact CB-CD2 3.96Å; M809-L846 HydrophobicContact CE-CD2 4.26Å; F813-L846 HydrophobicContact CD2-CD2 4.4Å; F813-L846 HydrophobicContact CE2-CD2 3.87Å; A842-L846 WeakPolarHBondContact O-CB 3.37Å; A842-L846 PolarHBondContact O-N 3.33Å; L846-K850 PolarHBondContact O-N 3.07Å |
| 847 | F | 71.9 | Confident | 64.5 | Low | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 178.4 | -76.2 | -65.6 | 0 | 0 | 0 | 112.2 | I618 L643 L646 F813 A843 E845 L851 | I618-F847 HydrophobicContact CD1-CB 4.02Å; I618-F847 HydrophobicContact CD1-CD1 4.24Å; I618-F847 HydrophobicContact CD1-CG 4.09Å; I618-F847 HydrophobicContact CG2-CB 3.94Å; I618-F847 HydrophobicContact CG2-CD2 3.64Å; I618-F847 HydrophobicContact CG2-CE2 4.43Å; I618-F847 HydrophobicContact CG2-CG 3.92Å; L643-F847 HydrophobicContact CB-CE2 4.44Å; L643-F847 HydrophobicContact CB-CZ 4.29Å; L643-F847 HydrophobicContact CD2-CE2 3.88Å; L643-F847 HydrophobicContact CD2-CZ 4.23Å; L646-F847 HydrophobicContact CB-CE1 4.02Å; F813-F847 HydrophobicContact CE2-CE2 4.29Å; F813-F847 HydrophobicContact CE2-CZ 4.11Å; F813-F847 HydrophobicContact CZ-CE2 4.06Å; F813-F847 HydrophobicContact CZ-CZ 4.02Å; A843-F847 VanDerWaalsContact O-CD2 3.24Å; A843-F847 WeakPolarHBondContact O-CD2 3.48Å; A843-F847 PolarHBondContact O-N 2.89Å; E845-F847 VanDerWaalsContact C-N 3.3Å; E845-F847 PolarHBondContact O-N 3.38Å; F847-L851 WeakPolarHBondContact O-CB 3.27Å; F847-L851 WeakPolarHBondContact O-CD1 3.09Å; F847-L851 WeakPolarHBondContact O-CG 3.49Å; F847-L851 PolarHBondContact O-N 3.18Å |
| 848 | S | 68.3 | Low | 62.5 | Low | 40 Ų | 40 | 66.5 Ų | 66.5 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 178.1 | 72 | 0 | 0 | 0 | 0 | 112.7 | K844 E845 K850 L851 L852 | K844-S848 WeakPolarHBondContact O-CB 3.47Å; K844-S848 PolarHBondContact O-N 2.94Å; K844-S848 PolarHBondContact O-OG 3.09Å; E845-S848 WeakPolarHBondContact CA-OG 3.45Å; E845-S848 PolarHBondContact O-N 2.92Å; E845-S848 PolarHBondContact O-OG 2.84Å; S848-K850 PolarHBondContact O-N 3.45Å; S848-L851 PolarHBondContact O-N 2.85Å; S848-L852 WeakPolarHBondContact O-CB 3.35Å; S848-L852 VanDerWaalsContact O-CG 3.28Å; S848-L852 WeakPolarHBondContact O-CG 3.25Å; S848-L852 PolarHBondContact O-N 2.83Å |
| 849 | N | 64.3 | Low | 60.3 | Low | 86 Ų | 86 | 71.4 Ų | 71.4 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 179.8 | -70.5 | -25.9 | 0 | 0 | 0 | 110.8 | E806 E845 S853 | E806-N849 PolarHBondContact OE1-ND2 3.48Å; E845-N849 WeakPolarHBondContact O-CB 3.38Å; E845-N849 VanDerWaalsContact O-CG 3.25Å; E845-N849 PolarHBondContact O-N 3.29Å; E845-N849 PolarHBondContact O-ND2 2.85Å; N849-S853 PolarHBondContact O-N 3.26Å; N849-S853 PolarHBondContact O-OG 3.08Å |
| 850 | K | 62.4 | Low | 58.3 | Low | 58 Ų | 58 | 74 Ų | 74 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -77.1 | -28 | 179.5 | -62.6 | -162.3 | -179.2 | -159 | 0 | 114.4 | V650 C651 E810 L846 S848 S853 | V650-K850 HydrophobicContact CG1-CB 3.64Å; V650-K850 HydrophobicContact CG1-CD 4.34Å; C651-K850 PolarHBondContact SG-NZ 3.49Å; C651-K850 VanDerWaalsContact SG-NZ 3.4Å; E810-K850 IonicContact OE1-NZ 2.92Å; E810-K850 PolarHBondContact OE1-NZ 3.39Å; L846-K850 PolarHBondContact O-N 3.07Å; S848-K850 PolarHBondContact O-N 3.45Å; K850-S853 PolarHBondContact O-OG 3.5Å; K850-S853 VanDerWaalsContact O-OG 3.1Å |
| 851 | L | 52.5 | Low | 56.3 | Low | 39 Ų | 39 | 78.3 Ų | 78.3 | 20% | 0.204 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -72.7 | -32.8 | 173.4 | -74.3 | 170 | 0 | 0 | 0 | 112.2 | I618 V650 F847 S848 F856 | I618-L851 HydrophobicContact CD1-CD1 3.87Å; V650-L851 HydrophobicContact CG2-CD2 4.18Å; F847-L851 WeakPolarHBondContact O-CB 3.27Å; F847-L851 WeakPolarHBondContact O-CD1 3.09Å; F847-L851 WeakPolarHBondContact O-CG 3.49Å; F847-L851 PolarHBondContact O-N 3.18Å; S848-L851 PolarHBondContact O-N 2.85Å; L851-F856 HydrophobicContact CD2-CE2 4.05Å |
| 852 | L | 45.4 | Very low | 54.3 | Low | 146 Ų | 146 | 78.9 Ų | 78.9 | 76% | 0.764 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -74 | -30.7 | 178.5 | -75.2 | 169.3 | 0 | 0 | 0 | 113.3 | S848 | S848-L852 WeakPolarHBondContact O-CB 3.35Å; S848-L852 VanDerWaalsContact O-CG 3.28Å; S848-L852 WeakPolarHBondContact O-CG 3.25Å; S848-L852 PolarHBondContact O-N 2.83Å |
| 853 | S | 46.7 | Very low | 52.4 | Low | 86 Ų | 86 | 81.8 Ų | 81.8 | 60% | 0.601 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -74.3 | -23.9 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | N849 K850 | N849-S853 PolarHBondContact O-N 3.26Å; N849-S853 PolarHBondContact O-OG 3.08Å; K850-S853 PolarHBondContact O-OG 3.5Å; K850-S853 VanDerWaalsContact O-OG 3.1Å |
| 854 | Y | 45.6 | Very low | 50.7 | Low | 100 Ų | 100 | 86.3 Ų | 86.3 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | trans | -95 | 98.8 | 179.9 | -94 | -93.4 | 0 | 0 | 0 | 113.8 | T653 F856 | T653-Y854 WeakPolarHBondContact CB-OH 3.5Å; T653-Y854 PolarHBondContact OG1-OH 3.31Å; Y854-F856 WeakPolarHBondContact O-CD2 3.27Å; Y854-F856 PolarHBondContact O-N 3.01Å | ||
| 855 | N | 38.7 | Very low | 48.7 | Very low | 127 Ų | 127 | 93.9 Ų | 93.9 | 68% | 0.679 | 50% | 0.498 | S | S | * | . | trans | -64.9 | 99.8 | 159.7 | -102.9 | -78.9 | 0 | 0 | 0 | 109.5 | R857 | N855-R857 PolarHBondContact O-N 3.1Š| ||
| 856 | F | 44.2 | Very low | 46.5 | Very low | 90 Ų | 90 | 93 Ų | 93 | 40% | 0.395 | 51% | 0.511 | S | S | . | . | trans | -66.7 | 74.9 | 172.8 | -81.1 | -82 | 0 | 0 | 0 | 111.9 | L609 L851 Y854 | L609-F856 HydrophobicContact CB-CD1 4.47Å; L609-F856 HydrophobicContact CB-CE1 4.27Å; L609-F856 HydrophobicContact CB-CE2 4.32Å; L609-F856 HydrophobicContact CB-CZ 4.19Å; L609-F856 HydrophobicContact CD1-CE1 3.68Å; L609-F856 HydrophobicContact CD1-CE2 4.32Å; L609-F856 HydrophobicContact CD1-CZ 3.51Å; L609-F856 HydrophobicContact CG-CZ 4.49Å; L851-F856 HydrophobicContact CD2-CE2 4.05Å; Y854-F856 WeakPolarHBondContact O-CD2 3.27Å; Y854-F856 PolarHBondContact O-N 3.01Å | ||
| 857 | R | 32.6 | Very low | 44.4 | Very low | 203 Ų | 203 | 97.3 Ų | 97.3 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | trans | -118.4 | 111.1 | 175.1 | -69.1 | -170 | 178.4 | -155.9 | -2.2 | 111 | N855 | N855-R857 PolarHBondContact O-N 3.1Š| ||
| 858 | S | 35.3 | Very low | 43.1 | Very low | 118 Ų | 118 | 101.9 Ų | 101.9 | 83% | 0.825 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 56.5 | 65.2 | 154.7 | 61.3 | 0 | 0 | 0 | 0 | 119 | ||
| 859 | T | 35.7 | Very low | 41.7 | Very low | 139 Ų | 139 | 105.2 Ų | 105.2 | 85% | 0.853 | 57% | 0.567 | S | S | * | * | trans | -138.8 | 102 | 135.6 | 49 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 860 | G | 38.7 | Very low | 40.5 | Very low | 55 Ų | 55 | 106.2 Ų | 106.2 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | trans | -77.2 | 170.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 861 | S | 34.6 | Very low | 39.2 | Very low | 98 Ų | 98 | 109.1 Ų | 109.1 | 69% | 0.685 | 59% | 0.591 | S | S | * | * | trans | 81.3 | 156.8 | -175.7 | 81.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 862 | N | 38.1 | Very low | 38.4 | Very low | 111 Ų | 111 | 113.4 Ų | 113.4 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | trans | 76.1 | 22.3 | 168 | -56.7 | -24 | 0 | 0 | 0 | 120.3 | ||||
| 863 | W | 37.8 | Very low | 37.9 | Very low | 67 Ų | 67 | 111.3 Ų | 111.3 | 25% | 0.254 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.1 | -29.9 | 168 | -156.8 | 48.9 | 0 | 0 | 0 | 116.1 | Y563 R649 R652 W867 | Y563-W863 HydrophobicContact CD1-CH2 4.48Å; Y563-W863 HydrophobicContact CD1-CZ3 4.2Å; Y563-W863 HydrophobicContact CE1-CH2 4.24Å; Y563-W863 HydrophobicContact CE1-CZ3 4.38Å; R649-W863 HydrophobicContact CG-CZ2 4.48Å; R649-W863 VanDerWaalsContact NE-CZ2 3.26Å; R649-W863 VanDerWaalsContact NH2-CH2 3.27Å; R652-W863 PolarHBondContact NH1-O 3.02Å; W863-W867 AromaticContact CD1-NE1 3.43Å; W863-W867 HydrophobicContact CZ2-CZ2 4.21Å; W863-W867 AromaticContact NE1-CE2 3.86Å; W863-W867 AromaticContact NE1-CZ2 3.91Å; W863-W867 AromaticContact NE1-NE1 3.24Å |
| 864 | P | 42.9 | Very low | 37.3 | Very low | 94 Ų | 94 | 113.1 Ų | 113.1 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 28.6 | -176.9 | 40.9 | -36.6 | 0 | 0 | 0 | 114.6 | ||
| 865 | R | 34.7 | Very low | 36.6 | Very low | 223 Ų | 223 | 114.1 Ų | 114.1 | 84% | 0.842 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | -13.1 | 179 | -75 | -168.2 | 178.9 | -172.4 | 0.6 | 116.2 | ||
| 866 | G | 30.7 | Very low | 36.4 | Very low | 65 Ų | 65 | 113 Ų | 113 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | trans | -98.7 | -2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 867 | W | 32.1 | Very low | 35.7 | Very low | 93 Ų | 93 | 115.1 Ų | 115.1 | 35% | 0.352 | 64% | 0.638 | S | S | . | * | trans | 179 | 0 | 173.1 | 58.1 | -39.8 | 0 | 0 | 0 | 107.6 | H648 R652 W863 | H648-W867 HydrophobicContact CB-CH2 3.36Å; H648-W867 HydrophobicContact CB-CZ2 3.86Å; H648-W867 HydrophobicContact CB-CZ3 3.72Å; H648-W867 AromaticContact CG-CH2 3.98Å; H648-W867 AromaticContact CG-CZ3 3.84Å; R652-W867 HydrophobicContact CG-CD2 4.39Å; R652-W867 HydrophobicContact CG-CG 4.46Å; R652-W867 VanDerWaalsContact CZ-CB 3.41Å; R652-W867 VanDerWaalsContact NH1-CG 3.27Å; R652-W867 PolarHBondContact NH1-O 3.29Å; R652-W867 VanDerWaalsContact NH2-CD1 3.29Å; R652-W867 VanDerWaalsContact NH2-CE3 3.27Å; R652-W867 PolarHBondContact NH2-O 3.47Å; W863-W867 AromaticContact CD1-NE1 3.43Å; W863-W867 HydrophobicContact CZ2-CZ2 4.21Å; W863-W867 AromaticContact NE1-CE2 3.86Å; W863-W867 AromaticContact NE1-CZ2 3.91Å; W863-W867 AromaticContact NE1-NE1 3.24Å |
Retrieved 867 of 867 residues in 3613.2 ms
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