| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 62.3 | Low | 85.6 | Confident | 186 Ų | 186 | 45.1 Ų | 45.1 | 92% | 0.916 | 24% | 0.235 | S | C | * | . | 0 | 122.2 | 0 | -75.2 | 157 | 167.7 | 0 | 0 | 106.4 | D33 | M1-D33 WeakPolarHBondContact CA-OD2 3.29Å; M1-D33 HydrophobicContact CB-CB 3.79Å; M1-D33 HydrophobicContact CG-CB 3.77Å | |||
| 2 | K | 82.5 | Confident | 84 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 35% | 0.352 | 22% | 0.223 | S | C | . | . | trans | -79.5 | 130.3 | 165.1 | -59.1 | 174.7 | -174.4 | 168.2 | 0 | 108.1 | F31 F32 D33 E34 D59 | K2-F31 WeakPolarHBondContact CD-O 3.36Å; K2-F31 PolarHBondContact NZ-O 2.8Å; K2-F32 HydrophobicContact CB-CD1 3.8Å; K2-F32 HydrophobicContact CD-CD1 4.4Å; K2-D33 PolarHBondContact N-OD2 3.44Å; K2-D33 PolarHBondContact O-N 2.89Å; K2-E34 PolarHBondContact O-N 3.19Å; K2-D59 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 3 | K | 91.7 | Very high | 81.7 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 37% | 0.365 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 146.5 | 172.8 | -65.7 | -151.5 | -179.3 | -149.8 | 0 | 111.3 | E34 V58 D59 S60 | K3-E34 WeakPolarHBondContact CA-O 3.49Å; K3-E34 WeakPolarHBondContact CE-OE2 3.48Å; K3-E34 HydrophobicContact CG-CB 4.33Å; K3-E34 IonicContact NZ-OE1 3.22Å; K3-E34 PolarHBondContact NZ-OE1 3.35Å; K3-E34 IonicContact NZ-OE2 2.63Å; K3-E34 PolarHBondContact NZ-OE2 3.08Å; K3-V58 HydrophobicContact CB-CB 4.42Å; K3-V58 HydrophobicContact CB-CG1 3.84Å; K3-V58 HydrophobicContact CB-CG2 4.44Å; K3-V58 VanDerWaalsContact O-CG1 3.29Å; K3-V58 WeakPolarHBondContact O-CG1 3.43Å; K3-D59 PolarHBondContact N-OD2 2.98Å; K3-D59 WeakPolarHBondContact O-CB 3.46Å; K3-D59 PolarHBondContact O-N 3.19Å; K3-D59 VanDerWaalsContact O-N 3.17Å; K3-S60 PolarHBondContact O-N 2.71Å |
| 4 | A | 92.7 | Very high | 80.3 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F32 E34 V35 D36 S60 F62 | A4-F32 HydrophobicContact CB-CB 4.17Å; A4-F32 HydrophobicContact CB-CD1 3.77Å; A4-F32 HydrophobicContact CB-CD2 3.96Å; A4-F32 HydrophobicContact CB-CE1 4.13Å; A4-F32 HydrophobicContact CB-CE2 4.3Å; A4-F32 HydrophobicContact CB-CG 3.7Å; A4-F32 HydrophobicContact CB-CZ 4.38Å; A4-E34 PolarHBondContact N-O 3.26Å; A4-V35 HydrophobicContact CB-CG2 4.46Å; A4-V35 WeakPolarHBondContact O-CA 3.41Å; A4-D36 PolarHBondContact O-N 3.18Å; A4-S60 VanDerWaalsContact CA-O 3.3Å; A4-S60 WeakPolarHBondContact CA-O 3.5Å; A4-F62 HydrophobicContact CB-CD2 4.23Å; A4-F62 HydrophobicContact CB-CE2 4.12Å |
| 5 | V | 95 | Very high | 79.2 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.3 | 167.3 | 171.2 | 0 | 0 | 0 | 0 | 108.2 | I7 D36 Q38 A53 V58 S60 V61 F62 | V5-I7 HydrophobicContact CG1-CG1 4.14Å; V5-D36 WeakPolarHBondContact CA-O 3.1Å; V5-D36 HydrophobicContact CG2-CB 4.26Å; V5-Q38 HydrophobicContact CG1-CG 4.13Å; V5-A53 HydrophobicContact CB-CB 4.25Å; V5-A53 HydrophobicContact CG2-CB 3.96Å; V5-V58 HydrophobicContact CG2-CG1 4.07Å; V5-V58 HydrophobicContact CG2-CG2 4.1Å; V5-S60 PolarHBondContact N-O 2.8Å; V5-S60 VanDerWaalsContact N-O 3.09Å; V5-V61 CarbonylContact O-C 3.56Å; V5-V61 WeakPolarHBondContact O-CA 3.38Å; V5-F62 PolarHBondContact O-N 2.64Å |
| 6 | L | 94.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108.3 | 172.7 | 177.7 | 63.6 | 0 | 0 | 0 | 109 | V8 A24 L28 D36 V37 Q38 F62 M64 F89 | L6-V8 HydrophobicContact CD2-CG2 4.21Å; L6-V8 HydrophobicContact CG-CG2 3.91Å; L6-A24 HydrophobicContact CD2-CB 4.03Å; L6-L28 HydrophobicContact CB-CD1 4.33Å; L6-L28 HydrophobicContact CD1-CD1 4.38Å; L6-D36 PolarHBondContact N-O 3.02Å; L6-V37 HydrophobicContact CB-CG2 4.42Å; L6-V37 WeakPolarHBondContact O-CA 3.13Å; L6-Q38 PolarHBondContact O-N 3.28Å; L6-F62 CarbonylContact C-O 3.58Å; L6-F62 WeakPolarHBondContact CA-O 3.31Å; L6-F62 HydrophobicContact CD1-CB 3.74Å; L6-M64 HydrophobicContact CD1-CB 4.23Å; L6-F89 HydrophobicContact CD1-CD2 4.28Å; L6-F89 HydrophobicContact CD1-CE2 4.36Å |
| 7 | I | 93.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.2 | 173.2 | -55.9 | 170.8 | 0 | 0 | 0 | 107.8 | V5 Q38 T40 A46 F49 A50 V61 F62 A63 M64 A73 | V5-I7 HydrophobicContact CG1-CG1 4.14Å; I7-Q38 CarbonylContact C-O 3.59Å; I7-Q38 WeakPolarHBondContact CA-O 3.37Å; I7-T40 HydrophobicContact CG2-CG2 3.92Å; I7-A46 HydrophobicContact CD1-CB 4.47Å; I7-A46 HydrophobicContact CG2-CB 3.72Å; I7-F49 HydrophobicContact CD1-CB 3.81Å; I7-F49 HydrophobicContact CG1-CB 3.9Å; I7-F49 HydrophobicContact CG2-CD2 4.09Å; I7-A50 HydrophobicContact CD1-CB 4Å; I7-V61 HydrophobicContact CD1-CG1 3.84Å; I7-V61 HydrophobicContact CG1-CG1 4.45Å; I7-F62 PolarHBondContact N-O 2.8Å; I7-A63 CarbonylContact O-C 3.34Å; I7-M64 PolarHBondContact O-N 2.87Å; I7-A73 HydrophobicContact CD1-CB 4.38Å |
| 8 | V | 90.6 | Very high | 78.1 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.4 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 109 | L6 P10 A17 A21 V37 Q38 E39 T40 M64 | L6-V8 HydrophobicContact CD2-CG2 4.21Å; L6-V8 HydrophobicContact CG-CG2 3.91Å; V8-P10 WeakPolarHBondContact O-CD 3.33Å; V8-A17 HydrophobicContact CG1-CB 4.06Å; V8-A21 HydrophobicContact CG1-CB 4.28Å; V8-A21 HydrophobicContact CG2-CB 4.11Å; V8-V37 HydrophobicContact CG2-CG1 3.95Å; V8-Q38 PolarHBondContact N-O 2.86Å; V8-E39 HydrophobicContact CB-CG 4.39Å; V8-E39 WeakPolarHBondContact O-CA 3.41Å; V8-T40 PolarHBondContact O-N 2.77Å; V8-M64 HydrophobicContact CG1-CG 4.42Å; V8-M64 HydrophobicContact CG1-SD 4.41Å; V8-M64 HydrophobicContact CG2-CB 4.39Å |
| 9 | N | 86.9 | Confident | 78.2 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | trans | -96.8 | 106.1 | 167.5 | 179 | -8.2 | 0 | 0 | 0 | 109.8 | S11 S12 A17 T40 M64 T69 | N9-S11 PolarHBondContact O-N 3.22Å; N9-S11 PolarHBondContact OD1-N 2.84Å; N9-S11 PolarHBondContact OD1-OG 3.49Å; N9-S12 VanDerWaalsContact CG-OG 3.32Å; N9-S12 PolarHBondContact ND2-OG 3.49Å; N9-S12 PolarHBondContact O-N 2.81Å; N9-A17 WeakPolarHBondContact O-CB 3.19Å; N9-T40 WeakPolarHBondContact CA-OG1 3.25Å; N9-M64 PolarHBondContact N-O 2.96Å; N9-T69 HydrophobicContact CB-CG2 3.86Å; N9-T69 PolarHBondContact ND2-OG1 2.76Å | ||
| 10 | P | 80.6 | Confident | 78.6 | Confident | 21 Ų | 21 | 57 Ų | 57 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19 | -171.9 | -20.7 | 34.2 | 0 | 0 | 0 | 115 | V8 K18 E39 | V8-P10 WeakPolarHBondContact O-CD 3.33Å; P10-K18 HydrophobicContact CB-CG 4.39Å; P10-E39 HydrophobicContact CG-CB 4.02Å; P10-E39 HydrophobicContact CG-CG 4.28Å |
| 11 | S | 71.3 | Confident | 78.9 | Confident | 89 Ų | 89 | 55 Ų | 55 | 62% | 0.622 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -16.6 | 179.3 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | N9 | N9-S11 PolarHBondContact O-N 3.22Å; N9-S11 PolarHBondContact OD1-N 2.84Å; N9-S11 PolarHBondContact OD1-OG 3.49Å |
| 12 | S | 66.2 | Low | 80.1 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 138.6 | -179.1 | -76.7 | 0 | 0 | 0 | 0 | 112.7 | N9 G65 G66 | N9-S12 VanDerWaalsContact CG-OG 3.32Å; N9-S12 PolarHBondContact ND2-OG 3.49Å; N9-S12 PolarHBondContact O-N 2.81Å; S12-G65 WeakPolarHBondContact OG-CA 3.4Å; S12-G66 PolarHBondContact OG-N 2.69Å |
| 13 | G | 54.6 | Low | 80.3 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E15 E16 | G13-E15 VanDerWaalsContact C-N 3.34Å; G13-E15 PolarHBondContact O-N 3.2Å; G13-E16 WeakPolarHBondContact O-CB 3.46Å; G13-E16 WeakPolarHBondContact O-CG 3.41Å; G13-E16 PolarHBondContact O-N 2.93Å |
| 14 | N | 61.8 | Low | 80.2 | Confident | 162 Ų | 162 | 44.1 Ų | 44.1 | 87% | 0.866 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 47.6 | -178.4 | -61.6 | -7 | 0 | 0 | 0 | 112.6 | E16 | N14-E16 PolarHBondContact O-N 3.45Å; N14-E16 VanDerWaalsContact O-N 3.1Å |
| 15 | E | 64 | Low | 80.2 | Confident | 116 Ų | 116 | 48.9 Ų | 48.9 | 54% | 0.542 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 3.8 | -173.5 | -50.6 | -155.3 | 171.2 | 0 | 0 | 117 | G13 A17 K18 | G13-E15 VanDerWaalsContact C-N 3.34Å; G13-E15 PolarHBondContact O-N 3.2Å; E15-A17 PolarHBondContact O-N 2.97Å; E15-K18 PolarHBondContact O-N 2.84Å; E15-K18 IonicContact OE1-NZ 2.84Å; E15-K18 IonicContact OE2-NZ 2.6Å; E15-K18 PolarHBondContact OE2-NZ 3.45Å |
| 16 | E | 68.3 | Low | 79.9 | Confident | 75 Ų | 75 | 54.7 Ų | 54.7 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -12.9 | 177.6 | -65.1 | -138 | 128.4 | 0 | 0 | 113.2 | G13 N14 K18 K19 Y20 | G13-E16 WeakPolarHBondContact O-CB 3.46Å; G13-E16 WeakPolarHBondContact O-CG 3.41Å; G13-E16 PolarHBondContact O-N 2.93Å; N14-E16 PolarHBondContact O-N 3.45Å; N14-E16 VanDerWaalsContact O-N 3.1Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.44Å; E16-K19 HydrophobicContact CB-CD 4.49Å; E16-K19 HydrophobicContact CG-CD 4.45Å; E16-K19 WeakPolarHBondContact O-CB 3.22Å; E16-K19 PolarHBondContact O-N 3.44Å; E16-K19 VanDerWaalsContact O-N 3.07Å; E16-K19 IonicContact OE1-NZ 2.99Å; E16-K19 PolarHBondContact OE1-NZ 2.83Å; E16-K19 IonicContact OE2-NZ 2.68Å; E16-Y20 HydrophobicContact CB-CD2 4.09Å; E16-Y20 HydrophobicContact CB-CE2 3.68Å; E16-Y20 HydrophobicContact CG-CE2 4.42Å; E16-Y20 WeakPolarHBondContact O-CD2 3.22Å; E16-Y20 PolarHBondContact O-N 3.25Å; E16-Y20 WeakPolarHBondContact OE2-CE2 3.27Å; E16-Y20 PolarHBondContact OE2-OH 3.13Å |
| 17 | A | 72.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -47.7 | -49.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | V8 N9 E15 K19 Y20 A21 L91 | V8-A17 HydrophobicContact CG1-CB 4.06Å; N9-A17 WeakPolarHBondContact O-CB 3.19Å; E15-A17 PolarHBondContact O-N 2.97Å; A17-K19 PolarHBondContact O-N 2.96Å; A17-Y20 PolarHBondContact O-N 3.34Å; A17-A21 WeakPolarHBondContact O-CB 3.49Å; A17-A21 PolarHBondContact O-N 2.88Å; A17-L91 HydrophobicContact CB-CD1 3.53Å |
| 18 | K | 76 | Confident | 79.7 | Confident | 115 Ų | 115 | 56.2 Ų | 56.2 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -30.5 | -178.8 | -62 | 172.9 | -170.5 | 161.6 | 0 | 112.3 | P10 E15 E16 | P10-K18 HydrophobicContact CB-CG 4.39Å; E15-K18 PolarHBondContact O-N 2.84Å; E15-K18 IonicContact OE1-NZ 2.84Å; E15-K18 IonicContact OE2-NZ 2.6Å; E15-K18 PolarHBondContact OE2-NZ 3.45Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.44Å |
| 19 | K | 80.7 | Confident | 79.7 | Confident | 115 Ų | 115 | 60.7 Ų | 60.7 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76.5 | -37.3 | -178.8 | 175.8 | -161.5 | -178.7 | -161.9 | 0 | 112.3 | E16 A17 | E16-K19 HydrophobicContact CB-CD 4.49Å; E16-K19 HydrophobicContact CG-CD 4.45Å; E16-K19 WeakPolarHBondContact O-CB 3.22Å; E16-K19 PolarHBondContact O-N 3.44Å; E16-K19 VanDerWaalsContact O-N 3.07Å; E16-K19 IonicContact OE1-NZ 2.99Å; E16-K19 PolarHBondContact OE1-NZ 2.83Å; E16-K19 IonicContact OE2-NZ 2.68Å; A17-K19 PolarHBondContact O-N 2.96Å |
| 20 | Y | 85.4 | Confident | 79.9 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 8% | 0.078 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -94.4 | -19.5 | -179.8 | -57.7 | -65 | 0 | 0 | 0 | 114.3 | E16 A17 G22 Q23 A24 L91 P107 K108 | E16-Y20 HydrophobicContact CB-CD2 4.09Å; E16-Y20 HydrophobicContact CB-CE2 3.68Å; E16-Y20 HydrophobicContact CG-CE2 4.42Å; E16-Y20 WeakPolarHBondContact O-CD2 3.22Å; E16-Y20 PolarHBondContact O-N 3.25Å; E16-Y20 WeakPolarHBondContact OE2-CE2 3.27Å; E16-Y20 PolarHBondContact OE2-OH 3.13Å; A17-Y20 PolarHBondContact O-N 3.34Å; Y20-G22 VanDerWaalsContact C-N 3.27Å; Y20-G22 PolarHBondContact O-N 2.72Å; Y20-Q23 PolarHBondContact O-N 3.5Å; Y20-A24 PolarHBondContact O-N 3.08Å; Y20-L91 HydrophobicContact CD2-CD2 3.81Å; Y20-L91 HydrophobicContact CE2-CD2 4.33Å; Y20-P107 HydrophobicContact CD1-CB 4.31Å; Y20-P107 HydrophobicContact CD2-CB 3.63Å; Y20-P107 HydrophobicContact CD2-CG 4.04Å; Y20-P107 HydrophobicContact CE1-CB 4.43Å; Y20-P107 HydrophobicContact CE2-CB 3.72Å; Y20-P107 HydrophobicContact CE2-CG 3.71Å; Y20-P107 HydrophobicContact CG-CB 3.95Å; Y20-K108 HydrophobicContact CE1-CB 4.34Å |
| 21 | A | 86.1 | Confident | 80.4 | Confident | 14 Ų | 14 | 66.6 Ų | 66.6 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.3 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V8 A17 A24 R25 M64 | V8-A21 HydrophobicContact CG1-CB 4.28Å; V8-A21 HydrophobicContact CG2-CB 4.11Å; A17-A21 WeakPolarHBondContact O-CB 3.49Å; A17-A21 PolarHBondContact O-N 2.88Å; A21-A24 PolarHBondContact O-N 3.32Å; A21-R25 WeakPolarHBondContact O-CB 3.24Å; A21-R25 PolarHBondContact O-N 2.86Å; A21-M64 HydrophobicContact CB-SD 4.02Å |
| 22 | G | 86.2 | Confident | 81.3 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y20 R25 E26 | Y20-G22 VanDerWaalsContact C-N 3.27Å; Y20-G22 PolarHBondContact O-N 2.72Å; G22-R25 PolarHBondContact O-N 2.68Å; G22-E26 WeakPolarHBondContact O-CB 3.43Å; G22-E26 PolarHBondContact O-N 2.88Å |
| 23 | Q | 88.4 | Confident | 82.3 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 36% | 0.36 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.1 | -40.2 | 178.6 | -63.3 | 177.7 | 5.3 | 0 | 0 | 111.4 | Y20 E26 K27 I111 | Y20-Q23 PolarHBondContact O-N 3.5Å; Q23-E26 PolarHBondContact O-N 3.42Å; Q23-K27 VanDerWaalsContact O-CB 3.3Å; Q23-K27 WeakPolarHBondContact O-CB 3.34Å; Q23-K27 PolarHBondContact O-N 2.83Å; Q23-I111 HydrophobicContact CB-CD1 4.19Å; Q23-I111 HydrophobicContact CB-CG2 4.33Å |
| 24 | A | 89.3 | Confident | 84 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L6 Y20 A21 K27 L28 M64 F89 I111 | L6-A24 HydrophobicContact CD2-CB 4.03Å; Y20-A24 PolarHBondContact O-N 3.08Å; A21-A24 PolarHBondContact O-N 3.32Å; A24-K27 PolarHBondContact O-N 3.09Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 VanDerWaalsContact O-CG 3.26Å; A24-L28 WeakPolarHBondContact O-CG 3.46Å; A24-L28 PolarHBondContact O-N 3.12Å; A24-M64 HydrophobicContact CB-CE 3.51Å; A24-F89 HydrophobicContact CB-CD2 3.85Å; A24-F89 HydrophobicContact CB-CE2 3.79Å; A24-F89 HydrophobicContact CB-CG 4.49Å; A24-F89 HydrophobicContact CB-CZ 4.37Å; A24-I111 HydrophobicContact CB-CD1 3.93Å; A24-I111 HydrophobicContact CB-CG1 4.15Å |
| 25 | R | 91.9 | Very high | 85.3 | Confident | 101 Ų | 101 | 63 Ų | 63 | 38% | 0.381 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.2 | -54.8 | 172.9 | -178.7 | -172.3 | 174.6 | 109.4 | 24.7 | 111.6 | A21 G22 K27 L28 E29 V35 | A21-R25 WeakPolarHBondContact O-CB 3.24Å; A21-R25 PolarHBondContact O-N 2.86Å; G22-R25 PolarHBondContact O-N 2.68Å; R25-K27 PolarHBondContact O-N 3.32Å; R25-L28 PolarHBondContact O-N 2.89Å; R25-E29 HydrophobicContact CG-CG 4.4Å; R25-E29 IonicContact CZ-OE1 3.93Å; R25-E29 IonicContact NE-OE1 2.66Å; R25-E29 PolarHBondContact NE-OE1 2.68Å; R25-E29 IonicContact NE-OE2 2.76Å; R25-E29 IonicContact NH2-OE1 3.97Å; R25-E29 PolarHBondContact NH2-OE1 3.11Å; R25-E29 WeakPolarHBondContact O-CG 3.42Å; R25-E29 PolarHBondContact O-N 3.21Å; R25-V35 HydrophobicContact CG-CG1 4.47Å; R25-V35 PolarHBondContact NH2-O 2.92Å |
| 26 | E | 89.6 | Confident | 86.7 | Confident | 130 Ų | 130 | 60.3 Ų | 60.3 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.4 | -34.1 | 179.9 | -175.9 | 177.2 | -165.5 | 0 | 0 | 112.1 | G22 Q23 Q30 | G22-E26 WeakPolarHBondContact O-CB 3.43Å; G22-E26 PolarHBondContact O-N 2.88Å; Q23-E26 PolarHBondContact O-N 3.42Å; E26-Q30 WeakPolarHBondContact O-CG 3.42Å; E26-Q30 PolarHBondContact O-NE2 2.92Å |
| 27 | K | 90.7 | Very high | 87.8 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 14% | 0.139 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 173.3 | -173 | 74 | -179 | -161 | 0 | 112.6 | Q23 A24 R25 Q30 F31 I111 D112 F114 | Q23-K27 VanDerWaalsContact O-CB 3.3Å; Q23-K27 WeakPolarHBondContact O-CB 3.34Å; Q23-K27 PolarHBondContact O-N 2.83Å; A24-K27 PolarHBondContact O-N 3.09Å; R25-K27 PolarHBondContact O-N 3.32Å; K27-Q30 WeakPolarHBondContact O-CB 3.35Å; K27-Q30 PolarHBondContact O-N 3.07Å; K27-F31 VanDerWaalsContact O-CD2 3.25Å; K27-F31 WeakPolarHBondContact O-CD2 3.45Å; K27-I111 HydrophobicContact CB-CG2 3.7Å; K27-I111 HydrophobicContact CD-CG2 4.43Å; K27-I111 VanDerWaalsContact CD-O 3.24Å; K27-I111 WeakPolarHBondContact CD-O 3.06Å; K27-I111 WeakPolarHBondContact CE-O 3.26Å; K27-I111 HydrophobicContact CG-CG2 3.98Å; K27-I111 WeakPolarHBondContact CG-O 3.33Å; K27-I111 PolarHBondContact NZ-O 2.83Å; K27-D112 PolarHBondContact NZ-O 2.84Å; K27-F114 VanDerWaalsContact CE-O 3.23Å; K27-F114 WeakPolarHBondContact CE-O 3.31Å; K27-F114 HydrophobicContact CG-CB 4.48Å; K27-F114 HydrophobicContact CG-CD1 4.2Å |
| 28 | L | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71 | -35.8 | 178.9 | -71.1 | 173.5 | 0 | 0 | 0 | 112.1 | L6 A24 R25 Q30 F31 F32 V35 F62 F89 F114 | L6-L28 HydrophobicContact CB-CD1 4.33Å; L6-L28 HydrophobicContact CD1-CD1 4.38Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 VanDerWaalsContact O-CG 3.26Å; A24-L28 WeakPolarHBondContact O-CG 3.46Å; A24-L28 PolarHBondContact O-N 3.12Å; R25-L28 PolarHBondContact O-N 2.89Å; L28-Q30 PolarHBondContact O-N 3.06Å; L28-Q30 VanDerWaalsContact O-N 3.09Å; L28-F31 PolarHBondContact O-N 3.41Å; L28-F32 HydrophobicContact CB-CD2 4.38Å; L28-F32 HydrophobicContact CD2-CD2 4.13Å; L28-F32 HydrophobicContact CD2-CE2 3.89Å; L28-F32 WeakPolarHBondContact O-CD2 3.47Å; L28-F32 PolarHBondContact O-N 3.19Å; L28-V35 HydrophobicContact CB-CG1 4.22Å; L28-V35 HydrophobicContact CB-CG2 3.82Å; L28-V35 HydrophobicContact CD1-CG1 4.24Å; L28-F62 HydrophobicContact CD1-CB 4.31Å; L28-F62 HydrophobicContact CD1-CD2 3.79Å; L28-F62 HydrophobicContact CD1-CE2 4.31Å; L28-F62 HydrophobicContact CD1-CG 3.99Å; L28-F62 HydrophobicContact CD2-CD1 4.17Å; L28-F62 HydrophobicContact CD2-CD2 3.78Å; L28-F62 HydrophobicContact CD2-CE1 3.88Å; L28-F62 HydrophobicContact CD2-CE2 3.46Å; L28-F62 VanDerWaalsContact CD2-CE2 3.46Å; L28-F62 HydrophobicContact CD2-CG 4.13Å; L28-F62 HydrophobicContact CD2-CZ 3.52Å; L28-F62 HydrophobicContact CG-CD2 4.47Å; L28-F89 HydrophobicContact CD1-CE2 4.37Å; L28-F114 HydrophobicContact CD2-CE1 3.94Å; L28-F114 HydrophobicContact CD2-CZ 4.29Å |
| 29 | E | 92.1 | Very high | 89.4 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.3 | 174.8 | -71.4 | 176.1 | 166.3 | 0 | 0 | 113.1 | R25 F31 V35 | R25-E29 HydrophobicContact CG-CG 4.4Å; R25-E29 IonicContact CZ-OE1 3.93Å; R25-E29 IonicContact NE-OE1 2.66Å; R25-E29 PolarHBondContact NE-OE1 2.68Å; R25-E29 IonicContact NE-OE2 2.76Å; R25-E29 IonicContact NH2-OE1 3.97Å; R25-E29 PolarHBondContact NH2-OE1 3.11Å; R25-E29 WeakPolarHBondContact O-CG 3.42Å; R25-E29 PolarHBondContact O-N 3.21Å; E29-F31 VanDerWaalsContact C-N 3.34Å; E29-V35 HydrophobicContact CG-CB 4.09Å; E29-V35 HydrophobicContact CG-CG2 3.69Å |
| 30 | Q | 90.3 | Very high | 89.7 | Confident | 123 Ų | 123 | 56.2 Ų | 56.2 | 58% | 0.575 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -15.1 | 169.2 | -62.5 | 166.8 | 28.1 | 0 | 0 | 113.5 | E26 K27 L28 | E26-Q30 WeakPolarHBondContact O-CG 3.42Å; E26-Q30 PolarHBondContact O-NE2 2.92Å; K27-Q30 WeakPolarHBondContact O-CB 3.35Å; K27-Q30 PolarHBondContact O-N 3.07Å; L28-Q30 PolarHBondContact O-N 3.06Å; L28-Q30 VanDerWaalsContact O-N 3.09Å |
| 31 | F | 90 | Very high | 89.5 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 21% | 0.211 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | -21.5 | -171.5 | -60.1 | -72.7 | 0 | 0 | 0 | 115 | K2 K27 L28 E29 F114 I116 | K2-F31 WeakPolarHBondContact CD-O 3.36Å; K2-F31 PolarHBondContact NZ-O 2.8Å; K27-F31 VanDerWaalsContact O-CD2 3.25Å; K27-F31 WeakPolarHBondContact O-CD2 3.45Å; L28-F31 PolarHBondContact O-N 3.41Å; E29-F31 VanDerWaalsContact C-N 3.34Å; F31-F114 HydrophobicContact CD2-CD1 4.09Å; F31-F114 AromaticContact CD2-CE1 3.79Å; F31-F114 HydrophobicContact CD2-CE1 3.79Å; F31-F114 AromaticContact CE2-CD1 3.8Å; F31-F114 HydrophobicContact CE2-CD1 3.8Å; F31-F114 AromaticContact CE2-CE1 3.94Å; F31-F114 HydrophobicContact CE2-CE1 3.94Å; F31-I116 HydrophobicContact CB-CD1 4.29Å; F31-I116 HydrophobicContact CB-CG2 3.66Å; F31-I116 HydrophobicContact CD1-CB 4.43Å; F31-I116 HydrophobicContact CD1-CD1 3.95Å; F31-I116 HydrophobicContact CD1-CG1 3.73Å; F31-I116 HydrophobicContact CD1-CG2 4.02Å; F31-I116 HydrophobicContact CD2-CG2 4.37Å; F31-I116 HydrophobicContact CE1-CG1 4.25Å; F31-I116 HydrophobicContact CG-CG1 4.37Å; F31-I116 HydrophobicContact CG-CG2 3.78Å |
| 32 | F | 91.2 | Very high | 89.3 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | trans | -121.3 | 142.8 | -178.1 | -62.5 | -89 | 0 | 0 | 0 | 110.2 | K2 A4 L28 E34 V35 D59 S60 F62 I116 | K2-F32 HydrophobicContact CB-CD1 3.8Å; K2-F32 HydrophobicContact CD-CD1 4.4Å; A4-F32 HydrophobicContact CB-CB 4.17Å; A4-F32 HydrophobicContact CB-CD1 3.77Å; A4-F32 HydrophobicContact CB-CD2 3.96Å; A4-F32 HydrophobicContact CB-CE1 4.13Å; A4-F32 HydrophobicContact CB-CE2 4.3Å; A4-F32 HydrophobicContact CB-CG 3.7Å; A4-F32 HydrophobicContact CB-CZ 4.38Å; L28-F32 HydrophobicContact CB-CD2 4.38Å; L28-F32 HydrophobicContact CD2-CD2 4.13Å; L28-F32 HydrophobicContact CD2-CE2 3.89Å; L28-F32 WeakPolarHBondContact O-CD2 3.47Å; L28-F32 PolarHBondContact O-N 3.19Å; F32-E34 VanDerWaalsContact C-N 3.29Å; F32-E34 PolarHBondContact O-N 2.96Å; F32-V35 HydrophobicContact CB-CG2 4.12Å; F32-D59 HydrophobicContact CE1-CB 4.28Å; F32-S60 WeakPolarHBondContact CE1-OG 3.38Å; F32-S60 WeakPolarHBondContact CZ-OG 3.49Å; F32-F62 AromaticContact CE2-CE2 3.79Å; F32-F62 HydrophobicContact CE2-CE2 3.79Å; F32-F62 AromaticContact CE2-CZ 3.96Å; F32-F62 HydrophobicContact CE2-CZ 3.96Å; F32-F62 AromaticContact CZ-CE2 3.86Å; F32-F62 HydrophobicContact CZ-CE2 3.86Å; F32-F62 HydrophobicContact CZ-CZ 4.07Å; F32-I116 HydrophobicContact CE2-CG2 4.02Å; F32-I116 HydrophobicContact CZ-CG2 4.19Å | ||
| 33 | D | 86.8 | Confident | 88.8 | Confident | 114 Ų | 114 | 74.7 Ų | 74.7 | 61% | 0.61 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -77.1 | -18.7 | -177.6 | -62.1 | -87.7 | 0 | 0 | 0 | 112.6 | M1 K2 | M1-D33 WeakPolarHBondContact CA-OD2 3.29Å; M1-D33 HydrophobicContact CB-CB 3.79Å; M1-D33 HydrophobicContact CG-CB 3.77Å; K2-D33 PolarHBondContact N-OD2 3.44Å; K2-D33 PolarHBondContact O-N 2.89Å |
| 34 | E | 89.9 | Confident | 88.4 | Confident | 82 Ų | 82 | 72.1 Ų | 72.1 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 126.5 | -178.8 | -169.1 | -175.6 | 150.2 | 0 | 0 | 109.1 | K2 K3 A4 F32 | K2-E34 PolarHBondContact O-N 3.19Å; K3-E34 WeakPolarHBondContact CA-O 3.49Å; K3-E34 WeakPolarHBondContact CE-OE2 3.48Å; K3-E34 HydrophobicContact CG-CB 4.33Å; K3-E34 IonicContact NZ-OE1 3.22Å; K3-E34 PolarHBondContact NZ-OE1 3.35Å; K3-E34 IonicContact NZ-OE2 2.63Å; K3-E34 PolarHBondContact NZ-OE2 3.08Å; A4-E34 PolarHBondContact N-O 3.26Å; F32-E34 VanDerWaalsContact C-N 3.29Å; F32-E34 PolarHBondContact O-N 2.96Å |
| 35 | V | 90.7 | Very high | 88.4 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 111.3 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | A4 R25 L28 E29 F32 | A4-V35 HydrophobicContact CB-CG2 4.46Å; A4-V35 WeakPolarHBondContact O-CA 3.41Å; R25-V35 HydrophobicContact CG-CG1 4.47Å; R25-V35 PolarHBondContact NH2-O 2.92Å; L28-V35 HydrophobicContact CB-CG1 4.22Å; L28-V35 HydrophobicContact CB-CG2 3.82Å; L28-V35 HydrophobicContact CD1-CG1 4.24Å; E29-V35 HydrophobicContact CG-CB 4.09Å; E29-V35 HydrophobicContact CG-CG2 3.69Å; F32-V35 HydrophobicContact CB-CG2 4.12Å |
| 36 | D | 92 | Very high | 88.3 | Confident | 60 Ų | 60 | 68 Ų | 68 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 149.5 | 171.6 | -174.7 | 34.4 | 0 | 0 | 0 | 110.2 | A4 V5 L6 Q38 | A4-D36 PolarHBondContact O-N 3.18Å; V5-D36 WeakPolarHBondContact CA-O 3.1Å; V5-D36 HydrophobicContact CG2-CB 4.26Å; L6-D36 PolarHBondContact N-O 3.02Å; D36-Q38 PolarHBondContact OD2-NE2 2.76Å |
| 37 | V | 91.4 | Very high | 88.3 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.6 | -176.9 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | L6 V8 | L6-V37 HydrophobicContact CB-CG2 4.42Å; L6-V37 WeakPolarHBondContact O-CA 3.13Å; V8-V37 HydrophobicContact CG2-CG1 3.95Å |
| 38 | Q | 92.3 | Very high | 88.3 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.2 | -176.6 | -62 | -67.7 | -30 | 0 | 0 | 109 | V5 L6 I7 V8 D36 F49 | V5-Q38 HydrophobicContact CG1-CG 4.13Å; L6-Q38 PolarHBondContact O-N 3.28Å; I7-Q38 CarbonylContact C-O 3.59Å; I7-Q38 WeakPolarHBondContact CA-O 3.37Å; V8-Q38 PolarHBondContact N-O 2.86Å; D36-Q38 PolarHBondContact OD2-NE2 2.76Å; Q38-F49 HydrophobicContact CB-CB 4.35Å; Q38-F49 HydrophobicContact CB-CD1 3.95Å; Q38-F49 HydrophobicContact CB-CD2 3.76Å; Q38-F49 HydrophobicContact CB-CE1 4.13Å; Q38-F49 HydrophobicContact CB-CE2 3.93Å; Q38-F49 HydrophobicContact CB-CG 3.77Å; Q38-F49 HydrophobicContact CB-CZ 4.12Å; Q38-F49 HydrophobicContact CG-CD1 4.06Å; Q38-F49 HydrophobicContact CG-CE1 4.42Å; Q38-F49 HydrophobicContact CG-CG 4.2Å |
| 39 | E | 90.1 | Very high | 88.4 | Confident | 113 Ų | 113 | 69 Ų | 69 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.7 | 177.2 | -66.2 | -173.8 | -174.2 | 0 | 0 | 110.6 | V8 P10 F49 | V8-E39 HydrophobicContact CB-CG 4.39Å; V8-E39 WeakPolarHBondContact O-CA 3.41Å; P10-E39 HydrophobicContact CG-CB 4.02Å; P10-E39 HydrophobicContact CG-CG 4.28Å; E39-F49 WeakPolarHBondContact O-CE2 3.45Å; E39-F49 WeakPolarHBondContact O-CZ 3.49Å |
| 40 | T | 87.1 | Confident | 88.4 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | trans | -81.4 | 127.7 | 177.7 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | I7 V8 N9 D45 A46 F49 | I7-T40 HydrophobicContact CG2-CG2 3.92Å; V8-T40 PolarHBondContact O-N 2.77Å; N9-T40 WeakPolarHBondContact CA-OG1 3.25Å; T40-D45 HydrophobicContact CG2-CB 4.12Å; T40-A46 HydrophobicContact CG2-CB 4Å; T40-F49 HydrophobicContact CG2-CD2 4.37Å; T40-F49 HydrophobicContact CG2-CE2 4.15Å | ||
| 41 | E | 82.2 | Confident | 88.5 | Confident | 155 Ų | 155 | 63 Ų | 63 | 72% | 0.724 | 31% | 0.305 | S | S | * | . | trans | -92.4 | -35.1 | 172.5 | -68.5 | -176.9 | 176.7 | 0 | 0 | 112.1 | D45 | E41-D45 PolarHBondContact N-OD2 3.04Š| ||
| 42 | K | 81.6 | Confident | 88.6 | Confident | 129 Ų | 129 | 64.6 Ų | 64.6 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -136.8 | 164.6 | -177.7 | -58.8 | 106.6 | -172.4 | 168.5 | 0 | 111.8 | D45 | K42-D45 PolarHBondContact N-OD2 3.42Å; K42-D45 VanDerWaalsContact O-CB 3.31Å; K42-D45 WeakPolarHBondContact O-CB 3.49Å; K42-D45 PolarHBondContact O-N 3.35Å |
| 43 | E | 75 | Confident | 88.7 | Confident | 183 Ų | 183 | 64.1 Ų | 64.1 | 86% | 0.855 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 135.1 | 161.1 | -167.7 | 178.9 | 175.3 | 0 | 0 | 111.6 | D45 | E43-D45 VanDerWaalsContact C-N 3.34Š|
| 44 | G | 81.3 | Confident | 88.8 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 4.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K48 E72 | G44-K48 WeakPolarHBondContact O-CG 3.43Å; G44-K48 PolarHBondContact O-N 3.1Å; G44-E72 VanDerWaalsContact CA-CD 3.45Å; G44-E72 WeakPolarHBondContact CA-OE2 3.48Å; G44-E72 PolarHBondContact N-OE1 3.2Å; G44-E72 PolarHBondContact N-OE2 2.95Å; G44-E72 VanDerWaalsContact N-OE2 3.11Å |
| 45 | D | 89.5 | Confident | 88.9 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76 | -36.3 | 173.6 | -77.5 | -23.5 | 0 | 0 | 0 | 112.9 | T40 E41 K42 E43 T47 K48 F49 E72 | T40-D45 HydrophobicContact CG2-CB 4.12Å; E41-D45 PolarHBondContact N-OD2 3.04Å; K42-D45 PolarHBondContact N-OD2 3.42Å; K42-D45 VanDerWaalsContact O-CB 3.31Å; K42-D45 WeakPolarHBondContact O-CB 3.49Å; K42-D45 PolarHBondContact O-N 3.35Å; E43-D45 VanDerWaalsContact C-N 3.34Å; D45-T47 VanDerWaalsContact C-N 3.28Å; D45-T47 PolarHBondContact O-N 2.83Å; D45-K48 WeakPolarHBondContact O-CB 3.38Å; D45-K48 PolarHBondContact O-N 2.84Å; D45-K48 VanDerWaalsContact O-N 3.11Å; D45-K48 IonicContact OD1-NZ 2.74Å; D45-K48 PolarHBondContact OD1-NZ 3.35Å; D45-F49 HydrophobicContact CB-CD2 4.45Å; D45-F49 HydrophobicContact CB-CE2 3.91Å; D45-F49 HydrophobicContact CB-CZ 4.34Å; D45-F49 WeakPolarHBondContact O-CD2 3.45Å; D45-F49 VanDerWaalsContact O-CG 3.3Å; D45-F49 WeakPolarHBondContact O-CG 3.48Å; D45-F49 PolarHBondContact O-N 2.96Å; D45-E72 PolarHBondContact N-OE2 3.36Å; D45-E72 VanDerWaalsContact N-OE2 3.15Å |
| 46 | A | 88.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | I7 T40 K48 F49 A50 T69 E72 | I7-A46 HydrophobicContact CD1-CB 4.47Å; I7-A46 HydrophobicContact CG2-CB 3.72Å; T40-A46 HydrophobicContact CG2-CB 4Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 2.97Å; A46-F49 PolarHBondContact O-N 3.49Å; A46-A50 WeakPolarHBondContact O-CB 3.44Å; A46-A50 PolarHBondContact O-N 3Å; A46-T69 HydrophobicContact CB-CG2 4.28Å; A46-E72 WeakPolarHBondContact CA-OE2 3.38Å; A46-E72 HydrophobicContact CB-CB 3.75Å; A46-E72 VanDerWaalsContact CB-OE2 3.31Å; A46-E72 WeakPolarHBondContact CB-OE2 3.44Å; A46-E72 PolarHBondContact N-OE2 3.2Å |
| 47 | T | 90.4 | Very high | 88.8 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 170.6 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | D45 R51 E72 | D45-T47 VanDerWaalsContact C-N 3.28Å; D45-T47 PolarHBondContact O-N 2.83Å; T47-R51 VanDerWaalsContact O-CB 3.32Å; T47-R51 WeakPolarHBondContact O-CB 3.33Å; T47-R51 PolarHBondContact O-N 2.9Å; T47-E72 WeakPolarHBondContact CA-O 3.31Å; T47-E72 PolarHBondContact N-OE2 2.74Å; T47-E72 WeakPolarHBondContact OG1-CA 3.49Å; T47-E72 VanDerWaalsContact OG1-CB 3.32Å; T47-E72 WeakPolarHBondContact OG1-CB 3.37Å; T47-E72 WeakPolarHBondContact OG1-CG 3.37Å; T47-E72 PolarHBondContact OG1-O 3.46Å |
| 48 | K | 90.9 | Very high | 88.8 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 176.6 | -66.5 | 171.6 | -158.8 | 118.3 | 0 | 112 | G44 D45 A46 R51 K52 | G44-K48 WeakPolarHBondContact O-CG 3.43Å; G44-K48 PolarHBondContact O-N 3.1Å; D45-K48 WeakPolarHBondContact O-CB 3.38Å; D45-K48 PolarHBondContact O-N 2.84Å; D45-K48 VanDerWaalsContact O-N 3.11Å; D45-K48 IonicContact OD1-NZ 2.74Å; D45-K48 PolarHBondContact OD1-NZ 3.35Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 2.97Å; K48-R51 PolarHBondContact O-N 2.94Å; K48-K52 WeakPolarHBondContact O-CB 3.49Å; K48-K52 PolarHBondContact O-N 3.02Å |
| 49 | F | 93.6 | Very high | 88.8 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | -178.3 | -60.6 | -43.2 | 0 | 0 | 0 | 111.8 | I7 Q38 E39 T40 D45 A46 K52 A53 | I7-F49 HydrophobicContact CD1-CB 3.81Å; I7-F49 HydrophobicContact CG1-CB 3.9Å; I7-F49 HydrophobicContact CG2-CD2 4.09Å; Q38-F49 HydrophobicContact CB-CB 4.35Å; Q38-F49 HydrophobicContact CB-CD1 3.95Å; Q38-F49 HydrophobicContact CB-CD2 3.76Å; Q38-F49 HydrophobicContact CB-CE1 4.13Å; Q38-F49 HydrophobicContact CB-CE2 3.93Å; Q38-F49 HydrophobicContact CB-CG 3.77Å; Q38-F49 HydrophobicContact CB-CZ 4.12Å; Q38-F49 HydrophobicContact CG-CD1 4.06Å; Q38-F49 HydrophobicContact CG-CE1 4.42Å; Q38-F49 HydrophobicContact CG-CG 4.2Å; E39-F49 WeakPolarHBondContact O-CE2 3.45Å; E39-F49 WeakPolarHBondContact O-CZ 3.49Å; T40-F49 HydrophobicContact CG2-CD2 4.37Å; T40-F49 HydrophobicContact CG2-CE2 4.15Å; D45-F49 HydrophobicContact CB-CD2 4.45Å; D45-F49 HydrophobicContact CB-CE2 3.91Å; D45-F49 HydrophobicContact CB-CZ 4.34Å; D45-F49 WeakPolarHBondContact O-CD2 3.45Å; D45-F49 VanDerWaalsContact O-CG 3.3Å; D45-F49 WeakPolarHBondContact O-CG 3.48Å; D45-F49 PolarHBondContact O-N 2.96Å; A46-F49 PolarHBondContact O-N 3.49Å; F49-K52 PolarHBondContact O-N 3.31Å; F49-A53 WeakPolarHBondContact O-CB 3.26Å; F49-A53 PolarHBondContact O-N 3.02Å |
| 50 | A | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I7 A46 A53 A54 V61 A73 L77 | I7-A50 HydrophobicContact CD1-CB 4Å; A46-A50 WeakPolarHBondContact O-CB 3.44Å; A46-A50 PolarHBondContact O-N 3Å; A50-A53 PolarHBondContact O-N 2.84Å; A50-A54 PolarHBondContact O-N 2.62Å; A50-V61 HydrophobicContact CB-CG1 4.48Å; A50-A73 HydrophobicContact CB-CB 4.33Å; A50-A73 WeakPolarHBondContact CB-O 3.28Å; A50-L77 HydrophobicContact CB-CD2 4.41Å; A50-L77 HydrophobicContact CB-CG 4.13Å |
| 51 | R | 92.6 | Very high | 89.3 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 172.8 | -177.2 | -179.5 | -71.4 | 156.2 | -3.7 | 111.5 | T47 K48 A53 A54 E55 G76 E79 | T47-R51 VanDerWaalsContact O-CB 3.32Å; T47-R51 WeakPolarHBondContact O-CB 3.33Å; T47-R51 PolarHBondContact O-N 2.9Å; K48-R51 PolarHBondContact O-N 2.94Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 2.81Å; R51-A54 WeakPolarHBondContact O-CB 3.27Å; R51-A54 PolarHBondContact O-N 3Å; R51-A54 VanDerWaalsContact O-N 3.16Å; R51-E55 WeakPolarHBondContact O-CG 3.28Å; R51-E55 PolarHBondContact O-N 3.01Å; R51-G76 WeakPolarHBondContact CA-O 3.44Å; R51-E79 IonicContact CZ-OE2 3.04Å; R51-E79 IonicContact NE-OE2 3.71Å; R51-E79 IonicContact NH2-OE2 2.75Å; R51-E79 PolarHBondContact NH2-OE2 2.9Å |
| 52 | K | 92.4 | Very high | 89.8 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 35% | 0.352 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 176.1 | -178.4 | -165.2 | 164.1 | -156.7 | 0 | 111.9 | K48 F49 A54 E55 E56 | K48-K52 WeakPolarHBondContact O-CB 3.49Å; K48-K52 PolarHBondContact O-N 3.02Å; F49-K52 PolarHBondContact O-N 3.31Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.38Å; K52-E55 PolarHBondContact O-N 2.87Å; K52-E56 WeakPolarHBondContact CE-OE1 3.5Å; K52-E56 HydrophobicContact CG-CG 4.47Å; K52-E56 IonicContact NZ-OE1 2.69Å; K52-E56 WeakPolarHBondContact O-CB 3.35Å; K52-E56 WeakPolarHBondContact O-CG 3.43Å; K52-E56 PolarHBondContact O-N 3.39Å |
| 53 | A | 91.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -32.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V5 F49 A50 R51 K57 V58 V61 | V5-A53 HydrophobicContact CB-CB 4.25Å; V5-A53 HydrophobicContact CG2-CB 3.96Å; F49-A53 WeakPolarHBondContact O-CB 3.26Å; F49-A53 PolarHBondContact O-N 3.02Å; A50-A53 PolarHBondContact O-N 2.84Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 2.81Å; A53-K57 PolarHBondContact O-N 3.31Å; A53-V58 HydrophobicContact CB-CB 4.22Å; A53-V58 HydrophobicContact CB-CG2 4.04Å; A53-V58 WeakPolarHBondContact O-CB 3.23Å; A53-V58 WeakPolarHBondContact O-CG2 3.34Å; A53-V58 PolarHBondContact O-N 3.17Å; A53-V61 HydrophobicContact CB-CG2 3.49Å; A53-V61 VanDerWaalsContact CB-CG2 3.49Å |
| 54 | A | 90.8 | Very high | 91 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.8 | -44.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A50 R51 K52 E56 K57 L77 Q80 Y82 P84 | A50-A54 PolarHBondContact O-N 2.62Å; R51-A54 WeakPolarHBondContact O-CB 3.27Å; R51-A54 PolarHBondContact O-N 3Å; R51-A54 VanDerWaalsContact O-N 3.16Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.38Å; A54-E56 PolarHBondContact O-N 3.05Å; A54-K57 PolarHBondContact O-N 3.08Å; A54-K57 VanDerWaalsContact O-N 3.12Å; A54-L77 HydrophobicContact CB-CD2 4.37Å; A54-Q80 HydrophobicContact CB-CB 3.9Å; A54-Q80 HydrophobicContact CB-CG 3.76Å; A54-Y82 WeakPolarHBondContact CB-O 3.4Å; A54-Y82 WeakPolarHBondContact O-CD1 3.37Å; A54-P84 HydrophobicContact CB-CG 4.12Å |
| 55 | E | 90.9 | Very high | 91 | Very high | 126 Ų | 126 | 38.7 Ų | 38.7 | 59% | 0.589 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -60.8 | -41.9 | 174.7 | -70.9 | 174.4 | -167.3 | 0 | 0 | 112.2 | R51 K52 K57 | R51-E55 WeakPolarHBondContact O-CG 3.28Å; R51-E55 PolarHBondContact O-N 3.01Å; K52-E55 PolarHBondContact O-N 2.87Å; E55-K57 PolarHBondContact O-N 3.21Å |
| 56 | E | 90.1 | Very high | 90.4 | Very high | 114 Ų | 114 | 38.1 Ų | 38.1 | 53% | 0.533 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5.2 | 176 | -70.1 | -177.3 | 175.3 | 0 | 0 | 113.8 | K52 A54 V58 | K52-E56 WeakPolarHBondContact CE-OE1 3.5Å; K52-E56 HydrophobicContact CG-CG 4.47Å; K52-E56 IonicContact NZ-OE1 2.69Å; K52-E56 WeakPolarHBondContact O-CB 3.35Å; K52-E56 WeakPolarHBondContact O-CG 3.43Å; K52-E56 PolarHBondContact O-N 3.39Å; A54-E56 PolarHBondContact O-N 3.05Å; E56-V58 HydrophobicContact CB-CG2 4.27Å |
| 57 | K | 89.8 | Confident | 89.7 | Confident | 133 Ų | 133 | 39.7 Ų | 39.7 | 58% | 0.578 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 45.5 | 178.6 | -55.1 | -169.1 | -180 | -170.8 | 0 | 114.6 | A53 A54 E55 Y82 | A53-K57 PolarHBondContact O-N 3.31Å; A54-K57 PolarHBondContact O-N 3.08Å; A54-K57 VanDerWaalsContact O-N 3.12Å; E55-K57 PolarHBondContact O-N 3.21Å; K57-Y82 HydrophobicContact CB-CD1 4.1Å; K57-Y82 HydrophobicContact CB-CE1 3.98Å; K57-Y82 HydrophobicContact CB-CG 4.45Å; K57-Y82 HydrophobicContact CD-CD2 4.45Å; K57-Y82 HydrophobicContact CD-CG 4.39Å; K57-Y82 HydrophobicContact CG-CD1 4Å; K57-Y82 HydrophobicContact CG-CD2 4.45Å; K57-Y82 HydrophobicContact CG-CE1 4.4Å; K57-Y82 HydrophobicContact CG-CG 4.04Å |
| 58 | V | 91.6 | Very high | 89 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | trans | -66.7 | 137.2 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | K3 V5 A53 E56 S60 Y82 P84 | K3-V58 HydrophobicContact CB-CB 4.42Å; K3-V58 HydrophobicContact CB-CG1 3.84Å; K3-V58 HydrophobicContact CB-CG2 4.44Å; K3-V58 VanDerWaalsContact O-CG1 3.29Å; K3-V58 WeakPolarHBondContact O-CG1 3.43Å; V5-V58 HydrophobicContact CG2-CG1 4.07Å; V5-V58 HydrophobicContact CG2-CG2 4.1Å; A53-V58 HydrophobicContact CB-CB 4.22Å; A53-V58 HydrophobicContact CB-CG2 4.04Å; A53-V58 WeakPolarHBondContact O-CB 3.23Å; A53-V58 WeakPolarHBondContact O-CG2 3.34Å; A53-V58 PolarHBondContact O-N 3.17Å; E56-V58 HydrophobicContact CB-CG2 4.27Å; V58-S60 VanDerWaalsContact C-N 3.27Å; V58-S60 VanDerWaalsContact CG1-O 3.23Å; V58-S60 WeakPolarHBondContact CG1-O 3.47Å; V58-S60 PolarHBondContact O-N 3.1Å; V58-Y82 PolarHBondContact O-OH 3.16Å; V58-P84 WeakPolarHBondContact O-CB 3.26Å; V58-P84 WeakPolarHBondContact O-CG 3.39Å | ||
| 59 | D | 92 | Very high | 88.7 | Confident | 58 Ų | 58 | 34.3 Ų | 34.3 | 31% | 0.31 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -62.2 | -32 | -177.7 | -61.1 | -112.5 | 0 | 0 | 0 | 113.4 | K2 K3 F32 K85 | K2-D59 WeakPolarHBondContact CA-OD2 3.5Å; K3-D59 PolarHBondContact N-OD2 2.98Å; K3-D59 WeakPolarHBondContact O-CB 3.46Å; K3-D59 PolarHBondContact O-N 3.19Å; K3-D59 VanDerWaalsContact O-N 3.17Å; F32-D59 HydrophobicContact CE1-CB 4.28Å; D59-K85 PolarHBondContact O-N 2.81Å; D59-K85 VanDerWaalsContact O-N 3.12Å |
| 60 | S | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 147.5 | -176.8 | -56.4 | 0 | 0 | 0 | 0 | 114.3 | K3 A4 V5 F32 V58 K85 Y293 | K3-S60 PolarHBondContact O-N 2.71Å; A4-S60 VanDerWaalsContact CA-O 3.3Å; A4-S60 WeakPolarHBondContact CA-O 3.5Å; V5-S60 PolarHBondContact N-O 2.8Å; V5-S60 VanDerWaalsContact N-O 3.09Å; F32-S60 WeakPolarHBondContact CE1-OG 3.38Å; F32-S60 WeakPolarHBondContact CZ-OG 3.49Å; V58-S60 VanDerWaalsContact C-N 3.27Å; V58-S60 VanDerWaalsContact CG1-O 3.23Å; V58-S60 WeakPolarHBondContact CG1-O 3.47Å; V58-S60 PolarHBondContact O-N 3.1Å; S60-K85 CarbonylContact C-O 3.56Å; S60-K85 WeakPolarHBondContact CA-O 3.07Å; S60-K85 WeakPolarHBondContact CB-O 3.16Å; S60-Y293 PolarHBondContact OG-OH 2.93Å |
| 61 | V | 94.5 | Very high | 88 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.5 | 174.2 | 173.6 | 0 | 0 | 0 | 0 | 108.6 | V5 I7 A50 A53 L77 P84 K85 F86 G87 | V5-V61 CarbonylContact O-C 3.56Å; V5-V61 WeakPolarHBondContact O-CA 3.38Å; I7-V61 HydrophobicContact CD1-CG1 3.84Å; I7-V61 HydrophobicContact CG1-CG1 4.45Å; A50-V61 HydrophobicContact CB-CG1 4.48Å; A53-V61 HydrophobicContact CB-CG2 3.49Å; A53-V61 VanDerWaalsContact CB-CG2 3.49Å; V61-L77 HydrophobicContact CG2-CD2 4.26Å; V61-P84 HydrophobicContact CB-CB 4.42Å; V61-P84 HydrophobicContact CG2-CB 3.77Å; V61-P84 HydrophobicContact CG2-CG 4Å; V61-K85 PolarHBondContact N-O 3.34Å; V61-F86 HydrophobicContact CG1-CD2 4.39Å; V61-F86 CarbonylContact O-C 3.52Å; V61-F86 WeakPolarHBondContact O-CA 3.37Å; V61-F86 WeakPolarHBondContact O-CD2 3.42Å; V61-G87 PolarHBondContact O-N 3.16Å |
| 62 | F | 93.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.3 | 178.9 | -67.4 | -88.7 | 0 | 0 | 0 | 110.2 | A4 V5 L6 I7 L28 F32 G87 F89 F114 Y293 | A4-F62 HydrophobicContact CB-CD2 4.23Å; A4-F62 HydrophobicContact CB-CE2 4.12Å; V5-F62 PolarHBondContact O-N 2.64Å; L6-F62 CarbonylContact C-O 3.58Å; L6-F62 WeakPolarHBondContact CA-O 3.31Å; L6-F62 HydrophobicContact CD1-CB 3.74Å; I7-F62 PolarHBondContact N-O 2.8Å; L28-F62 HydrophobicContact CD1-CB 4.31Å; L28-F62 HydrophobicContact CD1-CD2 3.79Å; L28-F62 HydrophobicContact CD1-CE2 4.31Å; L28-F62 HydrophobicContact CD1-CG 3.99Å; L28-F62 HydrophobicContact CD2-CD1 4.17Å; L28-F62 HydrophobicContact CD2-CD2 3.78Å; L28-F62 HydrophobicContact CD2-CE1 3.88Å; L28-F62 HydrophobicContact CD2-CE2 3.46Å; L28-F62 VanDerWaalsContact CD2-CE2 3.46Å; L28-F62 HydrophobicContact CD2-CG 4.13Å; L28-F62 HydrophobicContact CD2-CZ 3.52Å; L28-F62 HydrophobicContact CG-CD2 4.47Å; F32-F62 AromaticContact CE2-CE2 3.79Å; F32-F62 HydrophobicContact CE2-CE2 3.79Å; F32-F62 AromaticContact CE2-CZ 3.96Å; F32-F62 HydrophobicContact CE2-CZ 3.96Å; F32-F62 AromaticContact CZ-CE2 3.86Å; F32-F62 HydrophobicContact CZ-CE2 3.86Å; F32-F62 HydrophobicContact CZ-CZ 4.07Å; F62-G87 CarbonylContact C-O 3.54Å; F62-G87 VanDerWaalsContact CA-O 3.24Å; F62-G87 WeakPolarHBondContact CA-O 3.41Å; F62-F89 HydrophobicContact CB-CE2 4.43Å; F62-F89 HydrophobicContact CD1-CE2 4.12Å; F62-F89 HydrophobicContact CD1-CZ 4.4Å; F62-F89 HydrophobicContact CG-CE2 4.5Å; F62-F114 AromaticContact CE1-CE2 3.75Å; F62-F114 HydrophobicContact CE1-CE2 3.75Å; F62-F114 AromaticContact CE1-CZ 3.7Å; F62-F114 HydrophobicContact CE1-CZ 3.7Å; F62-F114 HydrophobicContact CZ-CE2 4.23Å; F62-F114 AromaticContact CZ-CZ 3.72Å; F62-F114 HydrophobicContact CZ-CZ 3.72Å; F62-Y293 AromaticContact CE1-CD2 3.78Å; F62-Y293 HydrophobicContact CE1-CD2 3.78Å; F62-Y293 HydrophobicContact CE1-CE2 4.06Å; F62-Y293 HydrophobicContact CE2-CE2 4.5Å; F62-Y293 AromaticContact CZ-CD2 3.84Å; F62-Y293 HydrophobicContact CZ-CD2 3.84Å; F62-Y293 AromaticContact CZ-CE2 3.6Å; F62-Y293 HydrophobicContact CZ-CE2 3.6Å |
| 63 | A | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I7 V70 A73 F86 G87 F88 F89 | I7-A63 CarbonylContact O-C 3.34Å; A63-V70 HydrophobicContact CB-CG2 4.34Å; A63-A73 HydrophobicContact CB-CB 4.3Å; A63-F86 HydrophobicContact CB-CE2 4Å; A63-F86 HydrophobicContact CB-CZ 4.01Å; A63-G87 PolarHBondContact N-O 3.44Å; A63-F88 HydrophobicContact CB-CB 4.14Å; A63-F88 CarbonylContact O-C 3.59Å; A63-F88 WeakPolarHBondContact O-CA 3.43Å; A63-F88 WeakPolarHBondContact O-CB 3.21Å; A63-F89 PolarHBondContact O-N 3.16Å |
| 64 | M | 89.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 97.7 | 173.5 | 172.2 | 170.9 | -82.3 | 0 | 0 | 107.8 | L6 I7 V8 N9 A21 A24 F89 L91 I111 | L6-M64 HydrophobicContact CD1-CB 4.23Å; I7-M64 PolarHBondContact O-N 2.87Å; V8-M64 HydrophobicContact CG1-CG 4.42Å; V8-M64 HydrophobicContact CG1-SD 4.41Å; V8-M64 HydrophobicContact CG2-CB 4.39Å; N9-M64 PolarHBondContact N-O 2.96Å; A21-M64 HydrophobicContact CB-SD 4.02Å; A24-M64 HydrophobicContact CB-CE 3.51Å; M64-F89 HydrophobicContact CE-CB 3.71Å; M64-F89 HydrophobicContact CE-CD2 4.07Å; M64-F89 HydrophobicContact CE-CG 4.11Å; M64-L91 HydrophobicContact CG-CD1 3.49Å; M64-L91 VanDerWaalsContact CG-CD1 3.49Å; M64-L91 HydrophobicContact CG-CG 4.21Å; M64-L91 HydrophobicContact SD-CD1 4.49Å; M64-I111 HydrophobicContact CE-CD1 4.11Å |
| 65 | G | 80.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | -161 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | S12 L91 V94 | S12-G65 WeakPolarHBondContact OG-CA 3.4Å; G65-L91 PolarHBondContact O-N 3.24Å; G65-V94 WeakPolarHBondContact O-CG2 3.48Å |
| 66 | G | 76.2 | Confident | 87.1 | Confident | 5 Ų | 5 | 22.2 Ų | 22.2 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | trans | -86.6 | 179.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S12 G68 T69 V70 T93 | S12-G66 PolarHBondContact OG-N 2.69Å; G66-G68 PolarHBondContact O-N 3.06Å; G66-T69 WeakPolarHBondContact O-CB 3.27Å; G66-T69 PolarHBondContact O-N 2.91Å; G66-V70 PolarHBondContact O-N 3.21Å; G66-V70 VanDerWaalsContact O-N 3.17Å; G66-T93 WeakPolarHBondContact CA-OG1 3.3Å | ||
| 67 | D | 73.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 16.8 Ų | 16.8 | 18% | 0.176 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.6 | -47.5 | -178.2 | -79 | -58.6 | 0 | 0 | 0 | 112.1 | T69 V70 N71 T93 V94 M133 | D67-T69 VanDerWaalsContact C-N 3.25Å; D67-T69 PolarHBondContact O-N 3.12Å; D67-V70 CarbonylContact O-C 3.47Å; D67-V70 WeakPolarHBondContact O-CA 3.36Å; D67-V70 WeakPolarHBondContact O-CB 3.39Å; D67-V70 PolarHBondContact O-N 3.36Å; D67-N71 WeakPolarHBondContact O-CB 3.07Å; D67-N71 PolarHBondContact O-N 2.8Å; D67-T93 VanDerWaalsContact OD2-C 3.32Å; D67-V94 WeakPolarHBondContact OD1-CA 3.4Å; D67-V94 WeakPolarHBondContact OD2-CA 3.41Å; D67-M133 HydrophobicContact CB-CE 4.44Å |
| 68 | G | 76.1 | Confident | 87.1 | Confident | 25 Ų | 25 | 10.6 Ų | 10.6 | 26% | 0.258 | 6% | 0.064 | S | C | . | . | H | α-helix | trans | -56 | -33.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G66 N71 E72 | G66-G68 PolarHBondContact O-N 3.06Å; G68-N71 PolarHBondContact O-N 3.2Å; G68-E72 WeakPolarHBondContact O-CB 3.13Å; G68-E72 WeakPolarHBondContact O-CG 3.46Å; G68-E72 PolarHBondContact O-N 2.93Å |
| 69 | T | 84.7 | Confident | 86.7 | Confident | 7 Ų | 7 | 15 Ų | 15 | 4% | 0.043 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -72.4 | -30.5 | 175 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | N9 A46 G66 D67 A73 | N9-T69 HydrophobicContact CB-CG2 3.86Å; N9-T69 PolarHBondContact ND2-OG1 2.76Å; A46-T69 HydrophobicContact CB-CG2 4.28Å; G66-T69 WeakPolarHBondContact O-CB 3.27Å; G66-T69 PolarHBondContact O-N 2.91Å; D67-T69 VanDerWaalsContact C-N 3.25Å; D67-T69 PolarHBondContact O-N 3.12Å; T69-A73 WeakPolarHBondContact O-CB 3.5Å; T69-A73 PolarHBondContact O-N 3.33Å |
| 70 | V | 86.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.2 | -41.2 | 171.1 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | A63 G66 D67 A73 I74 F86 F88 V94 L97 M133 | A63-V70 HydrophobicContact CB-CG2 4.34Å; G66-V70 PolarHBondContact O-N 3.21Å; G66-V70 VanDerWaalsContact O-N 3.17Å; D67-V70 CarbonylContact O-C 3.47Å; D67-V70 WeakPolarHBondContact O-CA 3.36Å; D67-V70 WeakPolarHBondContact O-CB 3.39Å; D67-V70 PolarHBondContact O-N 3.36Å; V70-A73 PolarHBondContact O-N 2.84Å; V70-I74 HydrophobicContact CG1-CD1 3.96Å; V70-I74 WeakPolarHBondContact O-CB 3.41Å; V70-I74 WeakPolarHBondContact O-CG1 3.36Å; V70-I74 PolarHBondContact O-N 2.84Å; V70-F86 HydrophobicContact CG1-CE1 3.87Å; V70-F86 HydrophobicContact CG1-CZ 3.92Å; V70-F88 HydrophobicContact CG1-CD1 4.17Å; V70-F88 HydrophobicContact CG1-CE1 4.41Å; V70-F88 HydrophobicContact CG2-CB 4.1Å; V70-F88 HydrophobicContact CG2-CD1 4.49Å; V70-F88 HydrophobicContact CG2-CD2 4.43Å; V70-F88 HydrophobicContact CG2-CG 4.1Å; V70-V94 HydrophobicContact CG2-CG1 4.19Å; V70-V94 HydrophobicContact CG2-CG2 3.71Å; V70-L97 HydrophobicContact CG1-CD2 4.27Å; V70-M133 HydrophobicContact CG1-CE 4.27Å; V70-M133 HydrophobicContact CG1-SD 3.73Å |
| 71 | N | 84 | Confident | 86.1 | Confident | 16 Ų | 16 | 23 Ų | 23 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -49.8 | 178.4 | -166.4 | 9.4 | 0 | 0 | 0 | 111.9 | D67 G68 A73 I74 N75 Y131 D274 | D67-N71 WeakPolarHBondContact O-CB 3.07Å; D67-N71 PolarHBondContact O-N 2.8Å; G68-N71 PolarHBondContact O-N 3.2Å; N71-A73 PolarHBondContact O-N 3.19Å; N71-I74 PolarHBondContact O-N 2.73Å; N71-N75 WeakPolarHBondContact O-CB 3.29Å; N71-N75 PolarHBondContact O-N 2.92Å; N71-N75 PolarHBondContact O-ND2 3.38Å; N71-N75 PolarHBondContact OD1-ND2 2.93Å; N71-Y131 PolarHBondContact OD1-O 2.67Å; N71-D274 PolarHBondContact ND2-OD2 3.06Å |
| 72 | E | 87.2 | Confident | 85.8 | Confident | 35 Ų | 35 | 27 Ų | 27 | 16% | 0.164 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53.7 | -49.5 | 171.5 | -85.1 | -164.9 | -139.9 | 0 | 0 | 112.2 | G44 D45 A46 T47 G68 I74 N75 G76 | G44-E72 VanDerWaalsContact CA-CD 3.45Å; G44-E72 WeakPolarHBondContact CA-OE2 3.48Å; G44-E72 PolarHBondContact N-OE1 3.2Å; G44-E72 PolarHBondContact N-OE2 2.95Å; G44-E72 VanDerWaalsContact N-OE2 3.11Å; D45-E72 PolarHBondContact N-OE2 3.36Å; D45-E72 VanDerWaalsContact N-OE2 3.15Å; A46-E72 WeakPolarHBondContact CA-OE2 3.38Å; A46-E72 HydrophobicContact CB-CB 3.75Å; A46-E72 VanDerWaalsContact CB-OE2 3.31Å; A46-E72 WeakPolarHBondContact CB-OE2 3.44Å; A46-E72 PolarHBondContact N-OE2 3.2Å; T47-E72 WeakPolarHBondContact CA-O 3.31Å; T47-E72 PolarHBondContact N-OE2 2.74Å; T47-E72 WeakPolarHBondContact OG1-CA 3.49Å; T47-E72 VanDerWaalsContact OG1-CB 3.32Å; T47-E72 WeakPolarHBondContact OG1-CB 3.37Å; T47-E72 WeakPolarHBondContact OG1-CG 3.37Å; T47-E72 PolarHBondContact OG1-O 3.46Å; G68-E72 WeakPolarHBondContact O-CB 3.13Å; G68-E72 WeakPolarHBondContact O-CG 3.46Å; G68-E72 PolarHBondContact O-N 2.93Å; E72-I74 VanDerWaalsContact C-N 3.33Å; E72-I74 PolarHBondContact O-N 3Å; E72-N75 PolarHBondContact O-N 3.25Å; E72-G76 PolarHBondContact O-N 3.2Å |
| 73 | A | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | I7 A50 A63 T69 V70 N71 G76 L77 F86 | I7-A73 HydrophobicContact CD1-CB 4.38Å; A50-A73 HydrophobicContact CB-CB 4.33Å; A50-A73 WeakPolarHBondContact CB-O 3.28Å; A63-A73 HydrophobicContact CB-CB 4.3Å; T69-A73 WeakPolarHBondContact O-CB 3.5Å; T69-A73 PolarHBondContact O-N 3.33Å; V70-A73 PolarHBondContact O-N 2.84Å; N71-A73 PolarHBondContact O-N 3.19Å; A73-G76 PolarHBondContact O-N 3.1Å; A73-L77 WeakPolarHBondContact O-CD1 3.16Å; A73-L77 WeakPolarHBondContact O-CG 3.46Å; A73-L77 PolarHBondContact O-N 3.27Å; A73-F86 HydrophobicContact CB-CE2 3.71Å; A73-F86 HydrophobicContact CB-CZ 4.07Å |
| 74 | I | 88.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65 | -46.2 | 174.3 | -73.4 | 173 | 0 | 0 | 0 | 111 | V70 N71 E72 G76 L77 A78 F86 L97 I124 M133 | V70-I74 HydrophobicContact CG1-CD1 3.96Å; V70-I74 WeakPolarHBondContact O-CB 3.41Å; V70-I74 WeakPolarHBondContact O-CG1 3.36Å; V70-I74 PolarHBondContact O-N 2.84Å; N71-I74 PolarHBondContact O-N 2.73Å; E72-I74 VanDerWaalsContact C-N 3.33Å; E72-I74 PolarHBondContact O-N 3Å; I74-G76 VanDerWaalsContact C-N 3.32Å; I74-G76 PolarHBondContact O-N 3.22Å; I74-L77 PolarHBondContact O-N 2.99Å; I74-A78 VanDerWaalsContact O-CB 3.32Å; I74-A78 WeakPolarHBondContact O-CB 3.11Å; I74-A78 PolarHBondContact O-N 3.13Å; I74-F86 HydrophobicContact CD1-CD1 4.38Å; I74-F86 HydrophobicContact CD1-CE1 3.88Å; I74-F86 HydrophobicContact CG1-CD1 4.02Å; I74-F86 HydrophobicContact CG1-CE1 3.66Å; I74-F86 HydrophobicContact CG1-CZ 4.11Å; I74-L97 HydrophobicContact CD1-CD2 4.05Å; I74-I124 HydrophobicContact CG2-CD1 3.76Å; I74-M133 HydrophobicContact CD1-CB 3.82Å; I74-M133 HydrophobicContact CD1-CG 4.25Å; I74-M133 HydrophobicContact CD1-SD 3.77Å |
| 75 | N | 87.5 | Confident | 85.9 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -41.9 | 176.6 | -85.7 | -89.1 | 0 | 0 | 0 | 111.8 | N71 E72 L77 A78 Y131 | N71-N75 WeakPolarHBondContact O-CB 3.29Å; N71-N75 PolarHBondContact O-N 2.92Å; N71-N75 PolarHBondContact O-ND2 3.38Å; N71-N75 PolarHBondContact OD1-ND2 2.93Å; E72-N75 PolarHBondContact O-N 3.25Å; N75-L77 PolarHBondContact O-N 3.27Å; N75-A78 PolarHBondContact O-N 3.15Å; N75-Y131 PolarHBondContact ND2-O 3.35Å; N75-Y131 WeakPolarHBondContact OD1-CB 3.34Å; N75-Y131 WeakPolarHBondContact OD1-CD2 3.17Å; N75-Y131 PolarHBondContact OD1-N 3.25Å |
| 76 | G | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -24.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R51 E72 A73 I74 Q80 | R51-G76 WeakPolarHBondContact CA-O 3.44Å; E72-G76 PolarHBondContact O-N 3.2Å; A73-G76 PolarHBondContact O-N 3.1Å; I74-G76 VanDerWaalsContact C-N 3.32Å; I74-G76 PolarHBondContact O-N 3.22Å; G76-Q80 VanDerWaalsContact O-CG 3.32Å; G76-Q80 WeakPolarHBondContact O-CG 3.25Å |
| 77 | L | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -93.4 | -36.4 | 177.6 | -64.8 | 166.2 | 0 | 0 | 0 | 113 | A50 A54 V61 A73 I74 N75 E79 Q80 R83 P84 F86 L290 | A50-L77 HydrophobicContact CB-CD2 4.41Å; A50-L77 HydrophobicContact CB-CG 4.13Å; A54-L77 HydrophobicContact CB-CD2 4.37Å; V61-L77 HydrophobicContact CG2-CD2 4.26Å; A73-L77 WeakPolarHBondContact O-CD1 3.16Å; A73-L77 WeakPolarHBondContact O-CG 3.46Å; A73-L77 PolarHBondContact O-N 3.27Å; I74-L77 PolarHBondContact O-N 2.99Å; N75-L77 PolarHBondContact O-N 3.27Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 2.82Å; L77-Q80 WeakPolarHBondContact O-CB 3.48Å; L77-Q80 PolarHBondContact O-N 3.21Å; L77-R83 WeakPolarHBondContact O-CG 3.42Å; L77-P84 HydrophobicContact CD2-CB 4.19Å; L77-P84 HydrophobicContact CD2-CG 3.86Å; L77-F86 HydrophobicContact CD1-CB 3.99Å; L77-F86 HydrophobicContact CD1-CD2 3.67Å; L77-F86 HydrophobicContact CD1-CE2 4.45Å; L77-F86 HydrophobicContact CD1-CG 4.02Å; L77-L290 HydrophobicContact CB-CD2 4.01Å; L77-L290 HydrophobicContact CD1-CD2 3.8Å |
| 78 | A | 86.9 | Confident | 88 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -30.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I74 N75 Q80 Y131 H289 | I74-A78 VanDerWaalsContact O-CB 3.32Å; I74-A78 WeakPolarHBondContact O-CB 3.11Å; I74-A78 PolarHBondContact O-N 3.13Å; N75-A78 PolarHBondContact O-N 3.15Å; A78-Q80 VanDerWaalsContact C-N 3.28Å; A78-Q80 PolarHBondContact O-N 3.44Å; A78-Y131 HydrophobicContact CB-CD1 3.59Å; A78-Y131 HydrophobicContact CB-CD2 4.07Å; A78-Y131 HydrophobicContact CB-CE1 3.89Å; A78-Y131 HydrophobicContact CB-CE2 4.38Å; A78-Y131 HydrophobicContact CB-CG 3.67Å; A78-H289 PolarHBondContact O-NE2 2.78Å |
| 79 | E | 83.8 | Confident | 88.7 | Confident | 98 Ų | 98 | 31.9 Ų | 31.9 | 46% | 0.458 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.7 | 175.8 | -63.7 | -176.5 | 130.8 | 0 | 0 | 114.2 | R51 L77 Y131 | R51-E79 IonicContact CZ-OE2 3.04Å; R51-E79 IonicContact NE-OE2 3.71Å; R51-E79 IonicContact NH2-OE2 2.75Å; R51-E79 PolarHBondContact NH2-OE2 2.9Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 2.82Å; E79-Y131 HydrophobicContact CG-CE2 3.62Å |
| 80 | Q | 88.6 | Confident | 88.4 | Confident | 35 Ų | 35 | 31.7 Ų | 31.7 | 16% | 0.164 | 14% | 0.143 | C | C | . | . | trans | -88.9 | 140.5 | -159.7 | -57 | -57.4 | -45.1 | 0 | 0 | 113.7 | A54 G76 L77 A78 Y82 R83 | A54-Q80 HydrophobicContact CB-CB 3.9Å; A54-Q80 HydrophobicContact CB-CG 3.76Å; G76-Q80 VanDerWaalsContact O-CG 3.32Å; G76-Q80 WeakPolarHBondContact O-CG 3.25Å; L77-Q80 WeakPolarHBondContact O-CB 3.48Å; L77-Q80 PolarHBondContact O-N 3.21Å; A78-Q80 VanDerWaalsContact C-N 3.28Å; A78-Q80 PolarHBondContact O-N 3.44Å; Q80-Y82 VanDerWaalsContact C-N 3.33Å; Q80-Y82 VanDerWaalsContact CB-O 3.29Å; Q80-Y82 WeakPolarHBondContact CB-O 3.3Å; Q80-R83 PolarHBondContact O-NE 3.14Å | ||
| 81 | E | 84.4 | Confident | 87.7 | Confident | 191 Ų | 191 | 31.8 Ų | 31.8 | 89% | 0.893 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -65 | -39 | 176.9 | -171.7 | -175.5 | -134.8 | 0 | 0 | 111.2 | ||
| 82 | Y | 89.7 | Confident | 86.6 | Confident | 82 Ų | 82 | 34.1 Ų | 34.1 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -101.9 | 126.1 | 167 | 179.2 | -91.1 | 0 | 0 | 0 | 109.5 | A54 K57 V58 Q80 P84 | A54-Y82 WeakPolarHBondContact CB-O 3.4Å; A54-Y82 WeakPolarHBondContact O-CD1 3.37Å; K57-Y82 HydrophobicContact CB-CD1 4.1Å; K57-Y82 HydrophobicContact CB-CE1 3.98Å; K57-Y82 HydrophobicContact CB-CG 4.45Å; K57-Y82 HydrophobicContact CD-CD2 4.45Å; K57-Y82 HydrophobicContact CD-CG 4.39Å; K57-Y82 HydrophobicContact CG-CD1 4Å; K57-Y82 HydrophobicContact CG-CD2 4.45Å; K57-Y82 HydrophobicContact CG-CE1 4.4Å; K57-Y82 HydrophobicContact CG-CG 4.04Å; V58-Y82 PolarHBondContact O-OH 3.16Å; Q80-Y82 VanDerWaalsContact C-N 3.33Å; Q80-Y82 VanDerWaalsContact CB-O 3.29Å; Q80-Y82 WeakPolarHBondContact CB-O 3.3Å; Y82-P84 HydrophobicContact CD1-CG 4.31Å; Y82-P84 HydrophobicContact CE1-CG 3.97Å |
| 83 | R | 91.9 | Very high | 85.1 | Confident | 96 Ų | 96 | 36.1 Ų | 36.1 | 36% | 0.362 | 19% | 0.186 | S | C | . | . | trans | -115.5 | 108.5 | 178.5 | -89 | 162 | -86.8 | 157 | -10.5 | 110.7 | L77 Q80 H289 | L77-R83 WeakPolarHBondContact O-CG 3.42Å; Q80-R83 PolarHBondContact O-NE 3.14Å; R83-H289 WeakPolarHBondContact CD-O 3.45Å; R83-H289 PolarHBondContact NH1-CE1 2.94Å; R83-H289 PolarHBondContact NH1-ND1 3.01Å; R83-H289 PolarHBondContact NH1-O 3.08Å | ||
| 84 | P | 92.3 | Very high | 83.6 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -50.5 | 155 | 163.9 | -26.6 | 31.7 | 0 | 0 | 0 | 112.5 | A54 V58 V61 L77 Y82 | A54-P84 HydrophobicContact CB-CG 4.12Å; V58-P84 WeakPolarHBondContact O-CB 3.26Å; V58-P84 WeakPolarHBondContact O-CG 3.39Å; V61-P84 HydrophobicContact CB-CB 4.42Å; V61-P84 HydrophobicContact CG2-CB 3.77Å; V61-P84 HydrophobicContact CG2-CG 4Å; L77-P84 HydrophobicContact CD2-CB 4.19Å; L77-P84 HydrophobicContact CD2-CG 3.86Å; Y82-P84 HydrophobicContact CD1-CG 4.31Å; Y82-P84 HydrophobicContact CE1-CG 3.97Å |
| 85 | K | 93 | Very high | 82.4 | Confident | 55 Ų | 55 | 37.8 Ų | 37.8 | 24% | 0.239 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 132.9 | 170.7 | -62.9 | 162.7 | 178 | 39.1 | 0 | 109.4 | D59 S60 V61 K119 E291 Y293 | D59-K85 PolarHBondContact O-N 2.81Å; D59-K85 VanDerWaalsContact O-N 3.12Å; S60-K85 CarbonylContact C-O 3.56Å; S60-K85 WeakPolarHBondContact CA-O 3.07Å; S60-K85 WeakPolarHBondContact CB-O 3.16Å; V61-K85 PolarHBondContact N-O 3.34Å; K85-K119 HydrophobicContact CD-CD 3.95Å; K85-E291 CarbonylContact C-O 3.55Å; K85-E291 WeakPolarHBondContact CA-O 3.5Å; K85-E291 HydrophobicContact CB-CB 4.41Å; K85-E291 WeakPolarHBondContact CE-OE2 3.34Å; K85-E291 HydrophobicContact CG-CB 3.87Å; K85-E291 IonicContact NZ-OE2 3.5Å; K85-E291 PolarHBondContact NZ-OE2 2.67Å; K85-Y293 HydrophobicContact CB-CE2 3.76Å |
| 86 | F | 93.4 | Very high | 81.6 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 144.7 | -175 | -177.8 | -113.6 | 0 | 0 | 0 | 112.6 | V61 A63 V70 A73 I74 L77 F88 L290 E291 V292 Y293 | V61-F86 HydrophobicContact CG1-CD2 4.39Å; V61-F86 CarbonylContact O-C 3.52Å; V61-F86 WeakPolarHBondContact O-CA 3.37Å; V61-F86 WeakPolarHBondContact O-CD2 3.42Å; A63-F86 HydrophobicContact CB-CE2 4Å; A63-F86 HydrophobicContact CB-CZ 4.01Å; V70-F86 HydrophobicContact CG1-CE1 3.87Å; V70-F86 HydrophobicContact CG1-CZ 3.92Å; A73-F86 HydrophobicContact CB-CE2 3.71Å; A73-F86 HydrophobicContact CB-CZ 4.07Å; I74-F86 HydrophobicContact CD1-CD1 4.38Å; I74-F86 HydrophobicContact CD1-CE1 3.88Å; I74-F86 HydrophobicContact CG1-CD1 4.02Å; I74-F86 HydrophobicContact CG1-CE1 3.66Å; I74-F86 HydrophobicContact CG1-CZ 4.11Å; L77-F86 HydrophobicContact CD1-CB 3.99Å; L77-F86 HydrophobicContact CD1-CD2 3.67Å; L77-F86 HydrophobicContact CD1-CE2 4.45Å; L77-F86 HydrophobicContact CD1-CG 4.02Å; F86-F88 AromaticContact CE1-CD1 3.8Å; F86-F88 HydrophobicContact CE1-CD1 3.8Å; F86-F88 HydrophobicContact CE1-CE1 4.44Å; F86-F88 HydrophobicContact CZ-CD1 4.29Å; F86-L290 HydrophobicContact CB-CD2 3.77Å; F86-L290 HydrophobicContact CG-CD2 4.44Å; F86-E291 PolarHBondContact N-O 2.95Å; F86-V292 HydrophobicContact CB-CG1 4.24Å; F86-V292 HydrophobicContact CD1-CG1 4.33Å; F86-V292 CarbonylContact O-C 3.6Å; F86-V292 WeakPolarHBondContact O-CA 3.28Å; F86-Y293 WeakPolarHBondContact O-CD2 3.19Å; F86-Y293 PolarHBondContact O-N 2.78Å |
| 87 | G | 90.1 | Very high | 81.1 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 170.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V61 F62 A63 | V61-G87 PolarHBondContact O-N 3.16Å; F62-G87 CarbonylContact C-O 3.54Å; F62-G87 VanDerWaalsContact CA-O 3.24Å; F62-G87 WeakPolarHBondContact CA-O 3.41Å; A63-G87 PolarHBondContact N-O 3.44Å |
| 88 | F | 90.8 | Very high | 80.5 | Confident | 9 Ų | 9 | 37.3 Ų | 37.3 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 158.2 | 175.2 | 55.7 | -91.3 | 0 | 0 | 0 | 112.9 | A63 V70 F86 V94 L97 L101 I103 | A63-F88 HydrophobicContact CB-CB 4.14Å; A63-F88 CarbonylContact O-C 3.59Å; A63-F88 WeakPolarHBondContact O-CA 3.43Å; A63-F88 WeakPolarHBondContact O-CB 3.21Å; V70-F88 HydrophobicContact CG1-CD1 4.17Å; V70-F88 HydrophobicContact CG1-CE1 4.41Å; V70-F88 HydrophobicContact CG2-CB 4.1Å; V70-F88 HydrophobicContact CG2-CD1 4.49Å; V70-F88 HydrophobicContact CG2-CD2 4.43Å; V70-F88 HydrophobicContact CG2-CG 4.1Å; F86-F88 AromaticContact CE1-CD1 3.8Å; F86-F88 HydrophobicContact CE1-CD1 3.8Å; F86-F88 HydrophobicContact CE1-CE1 4.44Å; F86-F88 HydrophobicContact CZ-CD1 4.29Å; F88-V94 HydrophobicContact CD2-CG1 3.84Å; F88-V94 HydrophobicContact CE2-CG1 3.48Å; F88-V94 VanDerWaalsContact CE2-CG1 3.48Å; F88-V94 HydrophobicContact CZ-CG1 4.2Å; F88-L97 HydrophobicContact CE1-CD2 3.62Å; F88-L97 HydrophobicContact CE1-CG 3.93Å; F88-L97 HydrophobicContact CZ-CB 4.22Å; F88-L97 HydrophobicContact CZ-CD2 4.1Å; F88-L97 HydrophobicContact CZ-CG 3.94Å; F88-L101 HydrophobicContact CE1-CD1 3.93Å; F88-L101 HydrophobicContact CZ-CD1 4.22Å; F88-I103 HydrophobicContact CD1-CD1 4.48Å; F88-I103 HydrophobicContact CD2-CD1 4.26Å; F88-I103 HydrophobicContact CE1-CD1 4Å; F88-I103 HydrophobicContact CE2-CD1 3.76Å; F88-I103 HydrophobicContact CZ-CD1 3.62Å |
| 89 | F | 89.3 | Confident | 80 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 110.3 | 172 | -58.7 | -70 | 0 | 0 | 0 | 107.8 | L6 A24 L28 F62 A63 M64 A110 I111 F114 | L6-F89 HydrophobicContact CD1-CD2 4.28Å; L6-F89 HydrophobicContact CD1-CE2 4.36Å; A24-F89 HydrophobicContact CB-CD2 3.85Å; A24-F89 HydrophobicContact CB-CE2 3.79Å; A24-F89 HydrophobicContact CB-CG 4.49Å; A24-F89 HydrophobicContact CB-CZ 4.37Å; L28-F89 HydrophobicContact CD1-CE2 4.37Å; F62-F89 HydrophobicContact CB-CE2 4.43Å; F62-F89 HydrophobicContact CD1-CE2 4.12Å; F62-F89 HydrophobicContact CD1-CZ 4.4Å; F62-F89 HydrophobicContact CG-CE2 4.5Å; A63-F89 PolarHBondContact O-N 3.16Å; M64-F89 HydrophobicContact CE-CB 3.71Å; M64-F89 HydrophobicContact CE-CD2 4.07Å; M64-F89 HydrophobicContact CE-CG 4.11Å; F89-A110 HydrophobicContact CD1-CB 4.3Å; F89-I111 HydrophobicContact CD1-CB 4.49Å; F89-I111 HydrophobicContact CD1-CG1 3.51Å; F89-I111 HydrophobicContact CE1-CB 4.41Å; F89-I111 HydrophobicContact CE1-CG1 3.76Å; F89-I111 HydrophobicContact CG-CG1 4.03Å; F89-I111 HydrophobicContact CZ-CG1 4.45Å; F89-F114 HydrophobicContact CE1-CB 4.38Å |
| 90 | P | 80 | Confident | 79.6 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 136.2 | -170.2 | 28.2 | -34.5 | 0 | 0 | 0 | 111.8 | V94 I103 P104 P107 | P90-V94 HydrophobicContact CB-CB 3.82Å; P90-V94 HydrophobicContact CB-CG1 4.35Å; P90-I103 HydrophobicContact CG-CG2 4.26Å; P90-P104 WeakPolarHBondContact CG-O 3.46Å; P90-P107 WeakPolarHBondContact O-CG 3.5Å |
| 91 | L | 71.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | trans | -120.8 | 78.8 | 176.7 | -72 | 172.8 | 0 | 0 | 0 | 111.9 | A17 Y20 M64 G65 T93 P107 | A17-L91 HydrophobicContact CB-CD1 3.53Å; Y20-L91 HydrophobicContact CD2-CD2 3.81Å; Y20-L91 HydrophobicContact CE2-CD2 4.33Å; M64-L91 HydrophobicContact CG-CD1 3.49Å; M64-L91 VanDerWaalsContact CG-CD1 3.49Å; M64-L91 HydrophobicContact CG-CG 4.21Å; M64-L91 HydrophobicContact SD-CD1 4.49Å; G65-L91 PolarHBondContact O-N 3.24Å; L91-T93 PolarHBondContact O-N 2.92Å; L91-P107 HydrophobicContact CD2-CB 4.04Å; L91-P107 HydrophobicContact CD2-CG 3.86Å | ||
| 92 | G | 60.9 | Low | 79.1 | Confident | 65 Ų | 65 | 31.6 Ų | 31.6 | 67% | 0.67 | 16% | 0.164 | S | C | * | . | S | Bend | trans | 77.2 | -43.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 93 | T | 56.3 | Low | 78.7 | Confident | 78 Ų | 78 | 28.5 Ų | 28.5 | 48% | 0.479 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -96.4 | -36.2 | -179.2 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | G66 D67 L91 N95 | G66-T93 WeakPolarHBondContact CA-OG1 3.3Å; D67-T93 VanDerWaalsContact OD2-C 3.32Å; L91-T93 PolarHBondContact O-N 2.92Å; T93-N95 PolarHBondContact O-N 2.69Å; T93-N95 PolarHBondContact O-ND2 3.08Å |
| 94 | V | 56.9 | Low | 78 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | trans | -60.8 | 93.8 | -179.1 | -175.2 | 0 | 0 | 0 | 0 | 112 | G65 D67 V70 F88 P90 | G65-V94 WeakPolarHBondContact O-CG2 3.48Å; D67-V94 WeakPolarHBondContact OD1-CA 3.4Å; D67-V94 WeakPolarHBondContact OD2-CA 3.41Å; V70-V94 HydrophobicContact CG2-CG1 4.19Å; V70-V94 HydrophobicContact CG2-CG2 3.71Å; F88-V94 HydrophobicContact CD2-CG1 3.84Å; F88-V94 HydrophobicContact CE2-CG1 3.48Å; F88-V94 VanDerWaalsContact CE2-CG1 3.48Å; F88-V94 HydrophobicContact CZ-CG1 4.2Å; P90-V94 HydrophobicContact CB-CB 3.82Å; P90-V94 HydrophobicContact CB-CG1 4.35Å | ||
| 95 | N | 64.2 | Low | 77.2 | Confident | 33 Ų | 33 | 26.6 Ų | 26.6 | 18% | 0.176 | 15% | 0.149 | C | C | . | . | trans | -104.4 | -53.3 | -172.1 | -90.6 | -85 | 0 | 0 | 0 | 111.9 | T93 R99 | T93-N95 PolarHBondContact O-N 2.69Å; T93-N95 PolarHBondContact O-ND2 3.08Å; N95-R99 WeakPolarHBondContact O-CB 3.39Å; N95-R99 WeakPolarHBondContact O-CD 3.39Å; N95-R99 WeakPolarHBondContact O-CG 3.46Å; N95-R99 PolarHBondContact O-N 3.45Å; N95-R99 PolarHBondContact OD1-NE 2.97Å; N95-R99 PolarHBondContact OD1-NH2 3.36Å | ||
| 96 | D | 69.5 | Low | 76.4 | Confident | 22 Ų | 22 | 27.5 Ų | 27.5 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -83.2 | -53.9 | -155.9 | -71.6 | 17.3 | 0 | 0 | 0 | 112.8 | G98 R99 S100 N134 T200 G202 | D96-G98 PolarHBondContact O-N 2.86Å; D96-R99 PolarHBondContact O-N 2.84Å; D96-S100 PolarHBondContact O-N 3.43Å; D96-S100 PolarHBondContact O-OG 3.08Å; D96-N134 HydrophobicContact CB-CB 4.5Å; D96-N134 VanDerWaalsContact CB-ND2 3.35Å; D96-N134 WeakPolarHBondContact CB-ND2 3.15Å; D96-N134 PolarHBondContact OD2-ND2 3.46Å; D96-T200 HydrophobicContact CB-CG2 4.04Å; D96-G202 WeakPolarHBondContact OD1-CA 3.37Å; D96-G202 PolarHBondContact OD1-N 3.01Å; D96-G202 WeakPolarHBondContact OD2-CA 3.35Å; D96-G202 PolarHBondContact OD2-N 2.86Å |
| 97 | L | 78.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 173.6 | -176.5 | 63.7 | 0 | 0 | 0 | 110.8 | V70 I74 F88 S100 L101 L122 M133 | V70-L97 HydrophobicContact CG1-CD2 4.27Å; I74-L97 HydrophobicContact CD1-CD2 4.05Å; F88-L97 HydrophobicContact CE1-CD2 3.62Å; F88-L97 HydrophobicContact CE1-CG 3.93Å; F88-L97 HydrophobicContact CZ-CB 4.22Å; F88-L97 HydrophobicContact CZ-CD2 4.1Å; F88-L97 HydrophobicContact CZ-CG 3.94Å; L97-S100 PolarHBondContact O-N 3.38Å; L97-L101 HydrophobicContact CD1-CD1 3.89Å; L97-L101 HydrophobicContact CD1-CG 3.97Å; L97-L101 HydrophobicContact CD2-CD1 4.27Å; L97-L101 HydrophobicContact CG-CD1 3.82Å; L97-L101 HydrophobicContact CG-CG 4.23Å; L97-L101 WeakPolarHBondContact O-CB 3.12Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 2.93Å; L97-L122 HydrophobicContact CD1-CD1 3.96Å; L97-L122 HydrophobicContact CD1-CD2 4.17Å; L97-L122 HydrophobicContact CD2-CD2 4.2Å; L97-M133 HydrophobicContact CB-CE 4.28Å; L97-M133 HydrophobicContact CB-SD 3.76Å; L97-M133 HydrophobicContact CD2-CB 4.41Å; L97-M133 HydrophobicContact CD2-SD 3.44Å; L97-M133 WeakPolarHBondContact CD2-SD 3.33Å; L97-M133 HydrophobicContact CG-SD 4.17Å |
| 98 | G | 78.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D96 L101 K102 I103 | D96-G98 PolarHBondContact O-N 2.86Å; G98-L101 CarbonylContact O-C 3.54Å; G98-L101 PolarHBondContact O-N 3.01Å; G98-K102 PolarHBondContact O-N 3.3Å; G98-K102 VanDerWaalsContact O-N 3.13Å; G98-I103 PolarHBondContact O-N 3.17Å |
| 99 | R | 75.3 | Confident | 75 | Confident | 71 Ų | 71 | 33.6 Ų | 33.6 | 27% | 0.268 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 173.8 | -72.9 | 162.5 | -165.7 | -62 | -7.6 | 111.7 | N95 D96 L101 K102 M105 T200 T205 | N95-R99 WeakPolarHBondContact O-CB 3.39Å; N95-R99 WeakPolarHBondContact O-CD 3.39Å; N95-R99 WeakPolarHBondContact O-CG 3.46Å; N95-R99 PolarHBondContact O-N 3.45Å; N95-R99 PolarHBondContact OD1-NE 2.97Å; N95-R99 PolarHBondContact OD1-NH2 3.36Å; D96-R99 PolarHBondContact O-N 2.84Å; R99-L101 VanDerWaalsContact C-N 3.29Å; R99-L101 PolarHBondContact O-N 3.41Å; R99-K102 PolarHBondContact O-N 3.19Å; R99-K102 VanDerWaalsContact O-N 3.07Å; R99-M105 HydrophobicContact CG-CE 4.25Å; R99-M105 HydrophobicContact CG-SD 3.95Å; R99-T200 HydrophobicContact CB-CG2 4.02Å; R99-T205 HydrophobicContact CB-CG2 4.28Å |
| 100 | S | 76.8 | Confident | 74.7 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -29.2 | 178.6 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | D96 L97 T198 T200 | D96-S100 PolarHBondContact O-N 3.43Å; D96-S100 PolarHBondContact O-OG 3.08Å; L97-S100 PolarHBondContact O-N 3.38Å; S100-T198 WeakPolarHBondContact OG-CB 3.26Å; S100-T198 PolarHBondContact OG-OG1 3.15Å; S100-T200 WeakPolarHBondContact OG-CB 3.29Å; S100-T200 PolarHBondContact OG-OG1 3.32Å |
| 101 | L | 82.3 | Confident | 75 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 10.6 | 172.4 | -62.9 | 179.1 | 0 | 0 | 0 | 114 | F88 L97 G98 R99 I103 T120 V213 V292 Y294 G295 | F88-L101 HydrophobicContact CE1-CD1 3.93Å; F88-L101 HydrophobicContact CZ-CD1 4.22Å; L97-L101 HydrophobicContact CD1-CD1 3.89Å; L97-L101 HydrophobicContact CD1-CG 3.97Å; L97-L101 HydrophobicContact CD2-CD1 4.27Å; L97-L101 HydrophobicContact CG-CD1 3.82Å; L97-L101 HydrophobicContact CG-CG 4.23Å; L97-L101 WeakPolarHBondContact O-CB 3.12Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 2.93Å; G98-L101 CarbonylContact O-C 3.54Å; G98-L101 PolarHBondContact O-N 3.01Å; R99-L101 VanDerWaalsContact C-N 3.29Å; R99-L101 PolarHBondContact O-N 3.41Å; L101-I103 HydrophobicContact CB-CD1 3.96Å; L101-I103 HydrophobicContact CB-CG1 4.04Å; L101-I103 HydrophobicContact CD1-CD1 4.29Å; L101-I103 PolarHBondContact O-N 3.02Å; L101-I103 VanDerWaalsContact O-N 3.08Å; L101-T120 HydrophobicContact CD2-CG2 3.91Å; L101-V213 HydrophobicContact CD2-CG1 4.18Å; L101-V213 HydrophobicContact CD2-CG2 4.24Å; L101-V292 HydrophobicContact CD1-CB 4.29Å; L101-V292 HydrophobicContact CD1-CG2 3.84Å; L101-V292 HydrophobicContact CD2-CG2 3.7Å; L101-V292 HydrophobicContact CG-CG2 4.46Å; L101-Y294 WeakPolarHBondContact O-CA 3.08Å; L101-Y294 WeakPolarHBondContact O-CB 3.28Å; L101-G295 PolarHBondContact O-N 3.37Å |
| 102 | K | 79.2 | Confident | 75.7 | Confident | 102 Ų | 102 | 38 Ų | 38 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 25 | -177.4 | -54.1 | -171.2 | 179.2 | -166.6 | 0 | 115 | G98 R99 G295 D297 | G98-K102 PolarHBondContact O-N 3.3Å; G98-K102 VanDerWaalsContact O-N 3.13Å; R99-K102 PolarHBondContact O-N 3.19Å; R99-K102 VanDerWaalsContact O-N 3.07Å; K102-G295 VanDerWaalsContact O-CA 3.31Å; K102-G295 WeakPolarHBondContact O-CA 3.48Å; K102-D297 IonicContact NZ-OD1 2.72Å; K102-D297 PolarHBondContact NZ-OD1 3.2Å; K102-D297 IonicContact NZ-OD2 3.89Å; K102-D297 PolarHBondContact NZ-OD2 3.35Å |
| 103 | I | 82.2 | Confident | 76.7 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | trans | -75.1 | 131.3 | 177.8 | -62.2 | 170.6 | 0 | 0 | 0 | 107.9 | F88 P90 G98 L101 M105 A110 | F88-I103 HydrophobicContact CD1-CD1 4.48Å; F88-I103 HydrophobicContact CD2-CD1 4.26Å; F88-I103 HydrophobicContact CE1-CD1 4Å; F88-I103 HydrophobicContact CE2-CD1 3.76Å; F88-I103 HydrophobicContact CZ-CD1 3.62Å; P90-I103 HydrophobicContact CG-CG2 4.26Å; G98-I103 PolarHBondContact O-N 3.17Å; L101-I103 HydrophobicContact CB-CD1 3.96Å; L101-I103 HydrophobicContact CB-CG1 4.04Å; L101-I103 HydrophobicContact CD1-CD1 4.29Å; L101-I103 PolarHBondContact O-N 3.02Å; L101-I103 VanDerWaalsContact O-N 3.08Å; I103-M105 WeakPolarHBondContact O-CE 3.5Å; I103-A110 HydrophobicContact CG2-CB 4.05Å | ||
| 104 | P | 76.3 | Confident | 78.2 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | trans | -56 | 139.8 | 175.3 | -25.3 | 34 | 0 | 0 | 0 | 111.9 | P90 D106 E109 A110 | P90-P104 WeakPolarHBondContact CG-O 3.46Å; P104-D106 VanDerWaalsContact C-N 3.32Å; P104-E109 HydrophobicContact CB-CB 3.77Å; P104-E109 HydrophobicContact CB-CG 3.78Å; P104-E109 HydrophobicContact CG-CB 4.3Å; P104-E109 HydrophobicContact CG-CG 3.89Å; P104-A110 HydrophobicContact CB-CB 4.37Å | ||
| 105 | M | 75.8 | Confident | 79.5 | Confident | 50 Ų | 50 | 35.2 Ų | 35.2 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -80.1 | -15.9 | -179.7 | -57.1 | -80.6 | 90.3 | 0 | 0 | 112.8 | R99 I103 | R99-M105 HydrophobicContact CG-CE 4.25Å; R99-M105 HydrophobicContact CG-SD 3.95Å; I103-M105 WeakPolarHBondContact O-CE 3.5Å |
| 106 | D | 77.3 | Confident | 80.6 | Confident | 73 Ų | 73 | 35.7 Ų | 35.7 | 39% | 0.39 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -80 | 125.2 | 169.8 | 177.7 | 77.9 | 0 | 0 | 0 | 109.2 | P104 K108 E109 A110 | P104-D106 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 2.83Å; D106-K108 WeakPolarHBondContact OD2-CA 3.46Å; D106-K108 VanDerWaalsContact OD2-CB 3.31Å; D106-K108 WeakPolarHBondContact OD2-CB 3.5Å; D106-K108 PolarHBondContact OD2-N 2.96Å; D106-K108 VanDerWaalsContact OD2-N 3.1Å; D106-E109 HydrophobicContact CB-CB 4.01Å; D106-E109 PolarHBondContact O-N 2.69Å; D106-E109 PolarHBondContact OD2-N 2.88Å; D106-A110 WeakPolarHBondContact O-CB 3.4Å; D106-A110 PolarHBondContact O-N 2.77Å |
| 107 | P | 79.6 | Confident | 81.3 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -34.2 | -175.3 | -21.5 | 30 | 0 | 0 | 0 | 112.5 | Y20 P90 L91 I111 | Y20-P107 HydrophobicContact CD1-CB 4.31Å; Y20-P107 HydrophobicContact CD2-CB 3.63Å; Y20-P107 HydrophobicContact CD2-CG 4.04Å; Y20-P107 HydrophobicContact CE1-CB 4.43Å; Y20-P107 HydrophobicContact CE2-CB 3.72Å; Y20-P107 HydrophobicContact CE2-CG 3.71Å; Y20-P107 HydrophobicContact CG-CB 3.95Å; P90-P107 WeakPolarHBondContact O-CG 3.5Å; L91-P107 HydrophobicContact CD2-CB 4.04Å; L91-P107 HydrophobicContact CD2-CG 3.86Å; P107-I111 WeakPolarHBondContact O-CD1 3.38Å; P107-I111 VanDerWaalsContact O-CG1 3.26Å; P107-I111 WeakPolarHBondContact O-CG1 3.32Å; P107-I111 PolarHBondContact O-N 3.01Å; P107-I111 VanDerWaalsContact O-N 3.17Å |
| 108 | K | 83.2 | Confident | 81.6 | Confident | 101 Ų | 101 | 45.8 Ų | 45.8 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.5 | -45.3 | -179.2 | -167.9 | -162.2 | 172.3 | -155.7 | 0 | 111.4 | Y20 D106 A110 I111 D112 | Y20-K108 HydrophobicContact CE1-CB 4.34Å; D106-K108 PolarHBondContact O-N 2.83Å; D106-K108 WeakPolarHBondContact OD2-CA 3.46Å; D106-K108 VanDerWaalsContact OD2-CB 3.31Å; D106-K108 WeakPolarHBondContact OD2-CB 3.5Å; D106-K108 PolarHBondContact OD2-N 2.96Å; D106-K108 VanDerWaalsContact OD2-N 3.1Å; K108-A110 PolarHBondContact O-N 3.39Å; K108-I111 PolarHBondContact O-N 2.88Å; K108-D112 VanDerWaalsContact CE-OD2 3.25Å; K108-D112 WeakPolarHBondContact CE-OD2 3.31Å; K108-D112 IonicContact NZ-OD2 2.68Å; K108-D112 WeakPolarHBondContact O-CB 3.47Å; K108-D112 PolarHBondContact O-N 3.47Å |
| 109 | E | 80.2 | Confident | 82 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -35.2 | 174.4 | -166.5 | -180 | -176.1 | 0 | 0 | 111.1 | P104 D106 T113 S298 H301 | P104-E109 HydrophobicContact CB-CB 3.77Å; P104-E109 HydrophobicContact CB-CG 3.78Å; P104-E109 HydrophobicContact CG-CB 4.3Å; P104-E109 HydrophobicContact CG-CG 3.89Å; D106-E109 HydrophobicContact CB-CB 4.01Å; D106-E109 PolarHBondContact O-N 2.69Å; D106-E109 PolarHBondContact OD2-N 2.88Å; E109-T113 HydrophobicContact CG-CG2 4.04Å; E109-T113 WeakPolarHBondContact O-CB 3.41Å; E109-T113 VanDerWaalsContact O-CG2 3.29Å; E109-T113 WeakPolarHBondContact O-CG2 3.32Å; E109-T113 PolarHBondContact O-N 3.17Å; E109-T113 PolarHBondContact O-OG1 3.18Å; E109-S298 WeakPolarHBondContact OE1-CB 3.45Å; E109-H301 IonicContact OE2-CE1 3.19Å; E109-H301 IonicContact OE2-ND1 2.89Å |
| 110 | A | 83.5 | Confident | 82.6 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F89 I103 P104 D106 K108 F114 | F89-A110 HydrophobicContact CD1-CB 4.3Å; I103-A110 HydrophobicContact CG2-CB 4.05Å; P104-A110 HydrophobicContact CB-CB 4.37Å; D106-A110 WeakPolarHBondContact O-CB 3.4Å; D106-A110 PolarHBondContact O-N 2.77Å; K108-A110 PolarHBondContact O-N 3.39Å; A110-F114 WeakPolarHBondContact O-CB 3.34Å; A110-F114 PolarHBondContact O-N 3.2Å |
| 111 | I | 87.6 | Confident | 83.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.4 | -49.3 | 175.5 | -67 | 163.5 | 0 | 0 | 0 | 110.8 | Q23 A24 K27 M64 F89 P107 K108 T113 F114 | Q23-I111 HydrophobicContact CB-CD1 4.19Å; Q23-I111 HydrophobicContact CB-CG2 4.33Å; A24-I111 HydrophobicContact CB-CD1 3.93Å; A24-I111 HydrophobicContact CB-CG1 4.15Å; K27-I111 HydrophobicContact CB-CG2 3.7Å; K27-I111 HydrophobicContact CD-CG2 4.43Å; K27-I111 VanDerWaalsContact CD-O 3.24Å; K27-I111 WeakPolarHBondContact CD-O 3.06Å; K27-I111 WeakPolarHBondContact CE-O 3.26Å; K27-I111 HydrophobicContact CG-CG2 3.98Å; K27-I111 WeakPolarHBondContact CG-O 3.33Å; K27-I111 PolarHBondContact NZ-O 2.83Å; M64-I111 HydrophobicContact CE-CD1 4.11Å; F89-I111 HydrophobicContact CD1-CB 4.49Å; F89-I111 HydrophobicContact CD1-CG1 3.51Å; F89-I111 HydrophobicContact CE1-CB 4.41Å; F89-I111 HydrophobicContact CE1-CG1 3.76Å; F89-I111 HydrophobicContact CG-CG1 4.03Å; F89-I111 HydrophobicContact CZ-CG1 4.45Å; P107-I111 WeakPolarHBondContact O-CD1 3.38Å; P107-I111 VanDerWaalsContact O-CG1 3.26Å; P107-I111 WeakPolarHBondContact O-CG1 3.32Å; P107-I111 PolarHBondContact O-N 3.01Å; P107-I111 VanDerWaalsContact O-N 3.17Å; K108-I111 PolarHBondContact O-N 2.88Å; I111-T113 VanDerWaalsContact C-N 3.34Å; I111-T113 PolarHBondContact O-N 3.38Å; I111-F114 PolarHBondContact O-N 2.87Å |
| 112 | D | 84.6 | Confident | 83.5 | Confident | 90 Ų | 90 | 48 Ų | 48 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.4 | -39.4 | -177.1 | -81 | -22.5 | 0 | 0 | 0 | 111.9 | K27 K108 | K27-D112 PolarHBondContact NZ-O 2.84Å; K108-D112 VanDerWaalsContact CE-OD2 3.25Å; K108-D112 WeakPolarHBondContact CE-OD2 3.31Å; K108-D112 IonicContact NZ-OD2 2.68Å; K108-D112 WeakPolarHBondContact O-CB 3.47Å; K108-D112 PolarHBondContact O-N 3.47Å |
| 113 | T | 81.7 | Confident | 84 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -90.2 | -4 | -176.9 | 65.3 | 0 | 0 | 0 | 0 | 115.5 | E109 I111 R118 | E109-T113 HydrophobicContact CG-CG2 4.04Å; E109-T113 WeakPolarHBondContact O-CB 3.41Å; E109-T113 VanDerWaalsContact O-CG2 3.29Å; E109-T113 WeakPolarHBondContact O-CG2 3.32Å; E109-T113 PolarHBondContact O-N 3.17Å; E109-T113 PolarHBondContact O-OG1 3.18Å; I111-T113 VanDerWaalsContact C-N 3.34Å; I111-T113 PolarHBondContact O-N 3.38Å; T113-R118 PolarHBondContact O-NH1 2.89Å |
| 114 | F | 87.9 | Confident | 84.4 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 11% | 0.114 | 21% | 0.213 | C | C | . | . | trans | -62.5 | 140 | 179.6 | 175.5 | -101.1 | 0 | 0 | 0 | 113.2 | K27 L28 F31 F62 F89 A110 I111 I116 Y293 | K27-F114 VanDerWaalsContact CE-O 3.23Å; K27-F114 WeakPolarHBondContact CE-O 3.31Å; K27-F114 HydrophobicContact CG-CB 4.48Å; K27-F114 HydrophobicContact CG-CD1 4.2Å; L28-F114 HydrophobicContact CD2-CE1 3.94Å; L28-F114 HydrophobicContact CD2-CZ 4.29Å; F31-F114 HydrophobicContact CD2-CD1 4.09Å; F31-F114 AromaticContact CD2-CE1 3.79Å; F31-F114 HydrophobicContact CD2-CE1 3.79Å; F31-F114 AromaticContact CE2-CD1 3.8Å; F31-F114 HydrophobicContact CE2-CD1 3.8Å; F31-F114 AromaticContact CE2-CE1 3.94Å; F31-F114 HydrophobicContact CE2-CE1 3.94Å; F62-F114 AromaticContact CE1-CE2 3.75Å; F62-F114 HydrophobicContact CE1-CE2 3.75Å; F62-F114 AromaticContact CE1-CZ 3.7Å; F62-F114 HydrophobicContact CE1-CZ 3.7Å; F62-F114 HydrophobicContact CZ-CE2 4.23Å; F62-F114 AromaticContact CZ-CZ 3.72Å; F62-F114 HydrophobicContact CZ-CZ 3.72Å; F89-F114 HydrophobicContact CE1-CB 4.38Å; A110-F114 WeakPolarHBondContact O-CB 3.34Å; A110-F114 PolarHBondContact O-N 3.2Å; I111-F114 PolarHBondContact O-N 2.87Å; F114-I116 HydrophobicContact CE1-CG2 4.07Å; F114-I116 HydrophobicContact CZ-CG2 3.96Å; F114-Y293 AromaticContact CE2-CD1 3.96Å; F114-Y293 HydrophobicContact CE2-CD1 3.96Å; F114-Y293 HydrophobicContact CE2-CD2 4.35Å; F114-Y293 AromaticContact CE2-CG 3.84Å; F114-Y293 HydrophobicContact CE2-CG 3.84Å; F114-Y293 HydrophobicContact CZ-CD1 4.26Å; F114-Y293 HydrophobicContact CZ-CE1 4.44Å; F114-Y293 HydrophobicContact CZ-CG 4.37Å | ||
| 115 | T | 85.3 | Confident | 85 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 13% | 0.129 | 21% | 0.211 | C | C | . | . | trans | -151.8 | 142.8 | 170.9 | 173 | 0 | 0 | 0 | 0 | 110.4 | E117 R118 | T115-E117 HydrophobicContact CG2-CB 4.43Å; T115-E117 PolarHBondContact O-N 3.36Å; T115-E117 PolarHBondContact OG1-N 2.76Å; T115-R118 HydrophobicContact CG2-CB 4.43Å; T115-R118 HydrophobicContact CG2-CG 3.92Å | ||
| 116 | I | 86.8 | Confident | 85.6 | Confident | 42 Ų | 42 | 42 Ų | 42 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.2 | 177.6 | 60.5 | 169.5 | 0 | 0 | 0 | 114.6 | F31 F32 F114 Y293 | F31-I116 HydrophobicContact CB-CD1 4.29Å; F31-I116 HydrophobicContact CB-CG2 3.66Å; F31-I116 HydrophobicContact CD1-CB 4.43Å; F31-I116 HydrophobicContact CD1-CD1 3.95Å; F31-I116 HydrophobicContact CD1-CG1 3.73Å; F31-I116 HydrophobicContact CD1-CG2 4.02Å; F31-I116 HydrophobicContact CD2-CG2 4.37Å; F31-I116 HydrophobicContact CE1-CG1 4.25Å; F31-I116 HydrophobicContact CG-CG1 4.37Å; F31-I116 HydrophobicContact CG-CG2 3.78Å; F32-I116 HydrophobicContact CE2-CG2 4.02Å; F32-I116 HydrophobicContact CZ-CG2 4.19Å; F114-I116 HydrophobicContact CE1-CG2 4.07Å; F114-I116 HydrophobicContact CZ-CG2 3.96Å; I116-Y293 HydrophobicContact CB-CE1 4.08Å; I116-Y293 HydrophobicContact CG2-CE1 4.18Å |
| 117 | E | 83.6 | Confident | 86.2 | Confident | 168 Ų | 168 | 38.5 Ų | 38.5 | 79% | 0.785 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -26.6 | -179.5 | -62.8 | 176.8 | 147.9 | 0 | 0 | 112.6 | T115 K119 | T115-E117 HydrophobicContact CG2-CB 4.43Å; T115-E117 PolarHBondContact O-N 3.36Å; T115-E117 PolarHBondContact OG1-N 2.76Å; E117-K119 PolarHBondContact O-N 2.9Å |
| 118 | R | 84.7 | Confident | 86.6 | Confident | 67 Ų | 67 | 40.2 Ų | 40.2 | 25% | 0.253 | 20% | 0.199 | S | C | . | . | trans | -91.4 | 98.4 | -178.6 | -68.4 | -170.5 | -155.1 | 113.9 | 4.7 | 111 | T113 T115 Y293 Y294 G295 | T113-R118 PolarHBondContact O-NH1 2.89Å; T115-R118 HydrophobicContact CG2-CB 4.43Å; T115-R118 HydrophobicContact CG2-CG 3.92Å; R118-Y293 WeakPolarHBondContact O-CA 3.46Å; R118-Y294 VanDerWaalsContact C-CD1 3.45Å; R118-Y294 HydrophobicContact CB-CD1 3.83Å; R118-Y294 HydrophobicContact CB-CD2 4.07Å; R118-Y294 HydrophobicContact CB-CE1 3.69Å; R118-Y294 HydrophobicContact CB-CE2 3.91Å; R118-Y294 HydrophobicContact CB-CG 4.01Å; R118-Y294 WeakPolarHBondContact CB-O 3.15Å; R118-Y294 WeakPolarHBondContact CD-O 3.49Å; R118-Y294 HydrophobicContact CG-CD2 4.45Å; R118-Y294 HydrophobicContact CG-CE1 4.34Å; R118-Y294 HydrophobicContact CG-CE2 3.93Å; R118-Y294 PolarHBondContact O-N 3.03Å; R118-Y294 VanDerWaalsContact O-N 3.13Å; R118-G295 WeakPolarHBondContact CD-O 3.3Å | ||
| 119 | K | 87.9 | Confident | 86.5 | Confident | 82 Ų | 82 | 41.9 Ų | 41.9 | 36% | 0.357 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.2 | 176.4 | -63.2 | -178.4 | -64.9 | 88 | 0 | 112 | K85 E117 E291 V292 Y293 | K85-K119 HydrophobicContact CD-CD 3.95Å; E117-K119 PolarHBondContact O-N 2.9Å; K119-E291 IonicContact NZ-OE1 2.64Å; K119-E291 PolarHBondContact NZ-OE1 3.4Å; K119-V292 CarbonylContact C-O 3.58Å; K119-V292 VanDerWaalsContact CA-O 3.26Å; K119-V292 WeakPolarHBondContact CA-O 3.46Å; K119-Y293 HydrophobicContact CD-CD1 4.27Å; K119-Y293 HydrophobicContact CD-CE1 3.67Å; K119-Y293 HydrophobicContact CG-CD1 3.66Å; K119-Y293 HydrophobicContact CG-CE1 3.58Å |
| 120 | T | 88.6 | Confident | 86.6 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 160.5 | 170.2 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | L101 V213 N214 V292 Y294 | L101-T120 HydrophobicContact CD2-CG2 3.91Å; T120-V213 HydrophobicContact CG2-CG2 4.32Å; T120-N214 PolarHBondContact OG1-ND2 3.04Å; T120-V292 HydrophobicContact CG2-CG2 3.63Å; T120-V292 PolarHBondContact N-O 2.94Å; T120-V292 PolarHBondContact O-N 3.11Å; T120-Y294 HydrophobicContact CG2-CD1 4.27Å |
| 121 | S | 88.3 | Confident | 86.8 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 152.1 | 159.1 | -49.9 | 0 | 0 | 0 | 0 | 110.3 | L290 | S121-L290 CarbonylContact C-O 3.56Å; S121-L290 VanDerWaalsContact CA-O 3.3Å; S121-L290 WeakPolarHBondContact CA-O 3.33Å |
| 122 | L | 88.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.1 | 170.7 | 177.2 | 60.3 | 0 | 0 | 0 | 109.6 | L97 I124 V213 Q288 H289 L290 V292 | L97-L122 HydrophobicContact CD1-CD1 3.96Å; L97-L122 HydrophobicContact CD1-CD2 4.17Å; L97-L122 HydrophobicContact CD2-CD2 4.2Å; L122-I124 HydrophobicContact CD2-CD1 3.86Å; L122-I124 HydrophobicContact CG-CD1 3.98Å; L122-V213 CarbonylContact C-O 3.57Å; L122-V213 WeakPolarHBondContact CA-O 3.45Å; L122-V213 HydrophobicContact CD1-CB 3.85Å; L122-V213 HydrophobicContact CD1-CG1 4.28Å; L122-Q288 CarbonylContact O-C 3.56Å; L122-H289 PolarHBondContact O-N 3.23Å; L122-L290 HydrophobicContact CB-CB 4.49Å; L122-L290 PolarHBondContact N-O 3.28Å; L122-L290 PolarHBondContact O-N 2.83Å; L122-L290 VanDerWaalsContact O-N 3.15Å; L122-V292 HydrophobicContact CB-CB 4.45Å; L122-V292 HydrophobicContact CB-CG1 3.69Å; L122-V292 HydrophobicContact CB-CG2 3.88Å; L122-V292 HydrophobicContact CD2-CG1 3.7Å; L122-V292 HydrophobicContact CG-CG1 4.34Å |
| 123 | D | 90.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.5 | 166.3 | -59.2 | -29.3 | 0 | 0 | 0 | 110.2 | L197 V213 N214 D215 G216 V285 P287 Q288 | D123-L197 HydrophobicContact CB-CD2 4.45Å; D123-V213 PolarHBondContact N-O 3.12Å; D123-N214 VanDerWaalsContact CG-CA 3.48Å; D123-N214 WeakPolarHBondContact OD2-CA 3.45Å; D123-N214 PolarHBondContact OD2-N 2.94Å; D123-D215 PolarHBondContact OD2-N 3.43Å; D123-G216 WeakPolarHBondContact OD2-CA 3.37Å; D123-G216 PolarHBondContact OD2-N 2.57Å; D123-V285 HydrophobicContact CB-CG1 4.41Å; D123-P287 VanDerWaalsContact OD1-CA 3.29Å; D123-P287 WeakPolarHBondContact OD1-CA 3.35Å; D123-Q288 PolarHBondContact OD1-N 2.99Å |
| 124 | I | 89.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.6 | 178.5 | -63.2 | -62.8 | 0 | 0 | 0 | 108.9 | I74 L122 Y131 L286 H289 L290 | I74-I124 HydrophobicContact CG2-CD1 3.76Å; L122-I124 HydrophobicContact CD2-CD1 3.86Å; L122-I124 HydrophobicContact CG-CD1 3.98Å; I124-Y131 HydrophobicContact CG2-CD1 3.91Å; I124-Y131 HydrophobicContact CG2-CG 4.4Å; I124-L286 PolarHBondContact N-O 2.97Å; I124-L286 WeakPolarHBondContact O-CA 3.45Å; I124-L286 VanDerWaalsContact O-CB 3.28Å; I124-L286 WeakPolarHBondContact O-CB 3.31Å; I124-L286 PolarHBondContact O-N 2.7Å; I124-H289 HydrophobicContact CB-CB 4.21Å; I124-H289 HydrophobicContact CG1-CB 4.12Å; I124-L290 HydrophobicContact CD1-CD1 4.15Å; I124-L290 HydrophobicContact CG1-CD1 3.7Å |
| 125 | G | 88.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 151.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y131 F132 K284 | G125-Y131 CarbonylContact O-C 3.32Å; G125-Y131 VanDerWaalsContact O-CA 3.29Å; G125-Y131 WeakPolarHBondContact O-CA 3.43Å; G125-F132 VanDerWaalsContact C-CD1 3.43Å; G125-F132 VanDerWaalsContact C-CE1 3.47Å; G125-F132 VanDerWaalsContact CA-CE1 3.45Å; G125-F132 PolarHBondContact N-O 3.15Å; G125-F132 PolarHBondContact O-N 3.29Å; G125-K284 CarbonylContact C-O 3.51Å |
| 126 | K | 90 | Very high | 86.1 | Confident | 47 Ų | 47 | 39 Ų | 39 | 20% | 0.204 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.5 | 164.7 | -158.6 | -171.8 | -173 | -131.2 | 0 | 109.7 | N128 D129 E130 Y131 F283 K284 | K126-N128 WeakPolarHBondContact CE-O 3.34Å; K126-N128 PolarHBondContact NZ-O 3.19Å; K126-D129 IonicContact NZ-OD1 2.65Å; K126-D129 PolarHBondContact NZ-OD1 2.91Å; K126-E130 CarbonylContact C-O 3.57Å; K126-E130 VanDerWaalsContact CA-O 3.3Å; K126-E130 WeakPolarHBondContact CA-O 3.33Å; K126-E130 WeakPolarHBondContact CG-O 3.49Å; K126-Y131 HydrophobicContact CB-CD1 4.46Å; K126-Y131 HydrophobicContact CD-CE1 4.32Å; K126-Y131 HydrophobicContact CG-CD1 4.24Å; K126-Y131 HydrophobicContact CG-CE1 4.21Å; K126-F283 WeakPolarHBondContact O-CA 3.39Å; K126-K284 PolarHBondContact N-O 3.27Å; K126-K284 PolarHBondContact O-N 3.47Å |
| 127 | V | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.7 | 169.4 | 145.1 | 0 | 0 | 0 | 0 | 107.5 | D129 E130 F132 V136 V271 P277 L281 S282 F283 | V127-D129 PolarHBondContact O-N 2.79Å; V127-E130 PolarHBondContact N-O 3.35Å; V127-E130 PolarHBondContact O-N 3.29Å; V127-F132 HydrophobicContact CB-CD1 4.21Å; V127-F132 HydrophobicContact CB-CE1 4.35Å; V127-F132 HydrophobicContact CG2-CD1 3.99Å; V127-F132 HydrophobicContact CG2-CE1 3.76Å; V127-V136 HydrophobicContact CG2-CG1 4.32Å; V127-V136 HydrophobicContact CG2-CG2 3.8Å; V127-V271 HydrophobicContact CG1-CG2 4.39Å; V127-P277 HydrophobicContact CG1-CG 3.61Å; V127-L281 HydrophobicContact CG1-CD2 3.81Å; V127-S282 WeakPolarHBondContact CA-O 3.43Å; V127-F283 HydrophobicContact CG2-CD1 3.52Å; V127-F283 HydrophobicContact CG2-CE1 3.63Å |
| 128 | N | 88.3 | Confident | 85.9 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 27% | 0.273 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | -97.3 | -175.6 | -70.4 | -19.2 | 0 | 0 | 0 | 112.2 | K126 P280 S282 | K126-N128 WeakPolarHBondContact CE-O 3.34Å; K126-N128 PolarHBondContact NZ-O 3.19Å; N128-P280 PolarHBondContact ND2-O 3.06Å; N128-S282 PolarHBondContact N-O 3.47Å; N128-S282 VanDerWaalsContact OD1-CB 3.27Å; N128-S282 WeakPolarHBondContact OD1-CB 3.41Å; N128-S282 PolarHBondContact OD1-N 2.98Å; N128-S282 PolarHBondContact OD1-OG 3.4Å |
| 129 | D | 82.6 | Confident | 85.4 | Confident | 135 Ų | 135 | 26.4 Ų | 26.4 | 72% | 0.722 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | 0.9 | 174.6 | -78.4 | -46.7 | 0 | 0 | 0 | 116.6 | K126 V127 | K126-D129 IonicContact NZ-OD1 2.65Å; K126-D129 PolarHBondContact NZ-OD1 2.91Å; V127-D129 PolarHBondContact O-N 2.79Å |
| 130 | E | 80.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 22.8 Ų | 22.8 | 42% | 0.416 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 160 | 177.6 | -71.6 | 154.5 | -159.3 | 0 | 0 | 112.2 | K126 V127 P277 | K126-E130 CarbonylContact C-O 3.57Å; K126-E130 VanDerWaalsContact CA-O 3.3Å; K126-E130 WeakPolarHBondContact CA-O 3.33Å; K126-E130 WeakPolarHBondContact CG-O 3.49Å; V127-E130 PolarHBondContact N-O 3.35Å; V127-E130 PolarHBondContact O-N 3.29Å; E130-P277 VanDerWaalsContact OE2-CD 3.31Å; E130-P277 WeakPolarHBondContact OE2-CD 3.3Å |
| 131 | Y | 87.6 | Confident | 83 | Confident | 32 Ų | 32 | 22.6 Ų | 22.6 | 13% | 0.125 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143 | 178 | -58.2 | -97.6 | 0 | 0 | 0 | 110.8 | N71 N75 A78 E79 I124 G125 K126 L286 | N71-Y131 PolarHBondContact OD1-O 2.67Å; N75-Y131 PolarHBondContact ND2-O 3.35Å; N75-Y131 WeakPolarHBondContact OD1-CB 3.34Å; N75-Y131 WeakPolarHBondContact OD1-CD2 3.17Å; N75-Y131 PolarHBondContact OD1-N 3.25Å; A78-Y131 HydrophobicContact CB-CD1 3.59Å; A78-Y131 HydrophobicContact CB-CD2 4.07Å; A78-Y131 HydrophobicContact CB-CE1 3.89Å; A78-Y131 HydrophobicContact CB-CE2 4.38Å; A78-Y131 HydrophobicContact CB-CG 3.67Å; E79-Y131 HydrophobicContact CG-CE2 3.62Å; I124-Y131 HydrophobicContact CG2-CD1 3.91Å; I124-Y131 HydrophobicContact CG2-CG 4.4Å; G125-Y131 CarbonylContact O-C 3.32Å; G125-Y131 VanDerWaalsContact O-CA 3.29Å; G125-Y131 WeakPolarHBondContact O-CA 3.43Å; K126-Y131 HydrophobicContact CB-CD1 4.46Å; K126-Y131 HydrophobicContact CD-CE1 4.32Å; K126-Y131 HydrophobicContact CG-CD1 4.24Å; K126-Y131 HydrophobicContact CG-CE1 4.21Å; Y131-L286 HydrophobicContact CD1-CD1 3.95Å; Y131-L286 HydrophobicContact CE1-CD1 3.63Å |
| 132 | F | 86.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.8 | -179.4 | 72.6 | -86.3 | 0 | 0 | 0 | 111.6 | G125 V127 V136 L197 L218 V271 D272 | G125-F132 VanDerWaalsContact C-CD1 3.43Å; G125-F132 VanDerWaalsContact C-CE1 3.47Å; G125-F132 VanDerWaalsContact CA-CE1 3.45Å; G125-F132 PolarHBondContact N-O 3.15Å; G125-F132 PolarHBondContact O-N 3.29Å; V127-F132 HydrophobicContact CB-CD1 4.21Å; V127-F132 HydrophobicContact CB-CE1 4.35Å; V127-F132 HydrophobicContact CG2-CD1 3.99Å; V127-F132 HydrophobicContact CG2-CE1 3.76Å; F132-V136 HydrophobicContact CD1-CG2 3.93Å; F132-V136 HydrophobicContact CD2-CG2 3.68Å; F132-V136 HydrophobicContact CE1-CG2 3.84Å; F132-V136 HydrophobicContact CE2-CG2 3.59Å; F132-V136 HydrophobicContact CG-CG2 3.85Å; F132-V136 HydrophobicContact CZ-CG2 3.67Å; F132-L197 HydrophobicContact CD2-CD1 3.51Å; F132-L197 HydrophobicContact CD2-CG 4.36Å; F132-L197 HydrophobicContact CE2-CD1 3.46Å; F132-L197 VanDerWaalsContact CE2-CD1 3.46Å; F132-L197 HydrophobicContact CE2-CG 3.86Å; F132-L197 HydrophobicContact CG-CD1 4.35Å; F132-L197 HydrophobicContact CZ-CD1 4.28Å; F132-L197 VanDerWaalsContact O-CD1 3.31Å; F132-L197 WeakPolarHBondContact O-CD1 3.39Å; F132-L218 HydrophobicContact CE2-CD1 3.95Å; F132-L218 HydrophobicContact CZ-CD1 3.71Å; F132-L218 HydrophobicContact CZ-CD2 4.13Å; F132-V271 HydrophobicContact CB-CG1 3.57Å; F132-V271 HydrophobicContact CG-CG1 4.33Å; F132-D272 VanDerWaalsContact CA-OD2 3.3Å; F132-D272 WeakPolarHBondContact CA-OD2 3.39Å; F132-D272 WeakPolarHBondContact CB-OD2 3.13Å |
| 133 | M | 82.6 | Confident | 80.1 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -112 | -20.8 | -170.1 | 61.8 | 164.8 | -173.1 | 0 | 0 | 114.4 | D67 V70 I74 L97 T198 D272 | D67-M133 HydrophobicContact CB-CE 4.44Å; V70-M133 HydrophobicContact CG1-CE 4.27Å; V70-M133 HydrophobicContact CG1-SD 3.73Å; I74-M133 HydrophobicContact CD1-CB 3.82Å; I74-M133 HydrophobicContact CD1-CG 4.25Å; I74-M133 HydrophobicContact CD1-SD 3.77Å; L97-M133 HydrophobicContact CB-CE 4.28Å; L97-M133 HydrophobicContact CB-SD 3.76Å; L97-M133 HydrophobicContact CD2-CB 4.41Å; L97-M133 HydrophobicContact CD2-SD 3.44Å; L97-M133 WeakPolarHBondContact CD2-SD 3.33Å; L97-M133 HydrophobicContact CG-SD 4.17Å; M133-T198 WeakPolarHBondContact O-CG2 2.95Å; M133-D272 WeakPolarHBondContact CG-OD2 3.32Å; M133-D272 PolarHBondContact N-OD2 3.02Å |
| 134 | N | 76.5 | Confident | 78.5 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -135.9 | -56.4 | -176.6 | -170.8 | 51.6 | 0 | 0 | 0 | 115.9 | D96 V196 L197 T198 T200 D272 | D96-N134 HydrophobicContact CB-CB 4.5Å; D96-N134 VanDerWaalsContact CB-ND2 3.35Å; D96-N134 WeakPolarHBondContact CB-ND2 3.15Å; D96-N134 PolarHBondContact OD2-ND2 3.46Å; N134-V196 CarbonylContact O-C 3.57Å; N134-V196 WeakPolarHBondContact O-CA 3.36Å; N134-V196 WeakPolarHBondContact O-CG1 3.46Å; N134-L197 PolarHBondContact O-N 3.15Å; N134-T198 WeakPolarHBondContact OD1-CB 3.13Å; N134-T198 WeakPolarHBondContact OD1-CG2 3.27Å; N134-T198 PolarHBondContact OD1-OG1 2.88Å; N134-T200 PolarHBondContact ND2-O 3.02Å; N134-T200 PolarHBondContact OD1-O 2.86Å; N134-D272 VanDerWaalsContact CA-OD1 3.25Å; N134-D272 WeakPolarHBondContact CA-OD1 3.14Å; N134-D272 VanDerWaalsContact CB-OD1 3.3Å; N134-D272 WeakPolarHBondContact CB-OD1 3.29Å; N134-D272 PolarHBondContact N-OD1 3.27Å |
| 135 | I | 82.6 | Confident | 76.8 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 13% | 0.128 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.4 | -163.2 | -169.4 | 174 | 0 | 0 | 0 | 112.9 | V194 M195 I201 D272 | I135-V194 HydrophobicContact CD1-CG1 3.83Å; I135-V194 HydrophobicContact CG1-CG1 4.02Å; I135-M195 CarbonylContact C-O 3.47Å; I135-M195 WeakPolarHBondContact CA-O 3.27Å; I135-I201 HydrophobicContact CD1-CB 4.46Å; I135-I201 HydrophobicContact CD1-CG1 4.07Å; I135-I201 HydrophobicContact CD1-CG2 3.77Å; I135-D272 PolarHBondContact N-OD1 3.29Å; I135-D272 PolarHBondContact O-N 2.86Å |
| 136 | V | 85.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.8 | 164.8 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | V127 F132 M195 S270 V271 L281 F283 | V127-V136 HydrophobicContact CG2-CG1 4.32Å; V127-V136 HydrophobicContact CG2-CG2 3.8Å; F132-V136 HydrophobicContact CD1-CG2 3.93Å; F132-V136 HydrophobicContact CD2-CG2 3.68Å; F132-V136 HydrophobicContact CE1-CG2 3.84Å; F132-V136 HydrophobicContact CE2-CG2 3.59Å; F132-V136 HydrophobicContact CG-CG2 3.85Å; F132-V136 HydrophobicContact CZ-CG2 3.67Å; V136-M195 HydrophobicContact CB-CE 4.28Å; V136-M195 HydrophobicContact CG1-CE 4.17Å; V136-M195 PolarHBondContact N-O 2.84Å; V136-M195 PolarHBondContact O-N 3.43Å; V136-S270 CarbonylContact C-O 3.54Å; V136-S270 WeakPolarHBondContact CA-O 3.33Å; V136-V271 HydrophobicContact CG1-CG2 4.08Å; V136-V271 HydrophobicContact CG2-CG1 4.35Å; V136-V271 HydrophobicContact CG2-CG2 4.26Å; V136-L281 HydrophobicContact CG1-CD1 4.44Å; V136-F283 HydrophobicContact CB-CE1 4.45Å; V136-F283 HydrophobicContact CG1-CE1 4.04Å |
| 137 | A | 82.7 | Confident | 73.3 | Confident | 9 Ų | 9 | 36 Ų | 36 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 139.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P142 V193 V194 S270 | A137-P142 HydrophobicContact CB-CB 3.61Å; A137-P142 HydrophobicContact CB-CG 3.55Å; A137-V193 WeakPolarHBondContact CA-O 3.28Å; A137-V194 HydrophobicContact CB-CG2 4.29Å; A137-S270 PolarHBondContact N-O 2.84Å; A137-S270 PolarHBondContact O-N 3.31Å |
| 138 | V | 82.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 134.8 | -173.5 | -175 | 0 | 0 | 0 | 0 | 109.8 | F177 V193 L259 P269 L279 L281 | V138-F177 HydrophobicContact CG1-CE1 3.87Å; V138-F177 HydrophobicContact CG1-CZ 4.13Å; V138-V193 PolarHBondContact N-O 3.3Å; V138-V193 PolarHBondContact O-N 3.17Å; V138-L259 HydrophobicContact CB-CD2 4.24Å; V138-L259 HydrophobicContact CG1-CD2 4.41Å; V138-L259 HydrophobicContact CG2-CD2 3.87Å; V138-P269 HydrophobicContact CG2-CB 3.99Å; V138-P269 HydrophobicContact CG2-CG 4.36Å; V138-L279 HydrophobicContact CG1-CD1 4.29Å; V138-L281 HydrophobicContact CG2-CD1 3.89Å |
| 139 | G | 74.5 | Confident | 70.3 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.5 | -177.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P142 | G139-P142 VanDerWaalsContact O-CD 3.3Å; G139-P142 WeakPolarHBondContact O-CD 3.41Å |
| 140 | S | 64.2 | Low | 68.9 | Low | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75 | -38.4 | -165.5 | 50.1 | 0 | 0 | 0 | 0 | 115.6 | E143 A144 D172 | S140-E143 VanDerWaalsContact O-CB 3.32Å; S140-E143 WeakPolarHBondContact O-CB 3.32Å; S140-E143 PolarHBondContact O-N 3.32Å; S140-E143 VanDerWaalsContact O-N 3.08Å; S140-A144 PolarHBondContact O-N 3.29Å; S140-D172 WeakPolarHBondContact CB-OD1 3.08Å; S140-D172 VanDerWaalsContact CB-OD2 3.3Å; S140-D172 WeakPolarHBondContact CB-OD2 3.3Å; S140-D172 PolarHBondContact OG-OD1 3.01Å; S140-D172 PolarHBondContact OG-OD2 2.86Å |
| 141 | I | 61.8 | Low | 67.4 | Low | 27 Ų | 27 | 33.4 Ų | 33.4 | 14% | 0.138 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | -179.4 | -58.3 | 173 | 0 | 0 | 0 | 111.4 | I145 V169 A192 L223 | I141-I145 HydrophobicContact CG2-CD1 4.24Å; I141-I145 WeakPolarHBondContact O-CD1 3.28Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.2Å; I141-I145 PolarHBondContact O-N 3.28Å; I141-V169 HydrophobicContact CD1-CG2 3.58Å; I141-V169 HydrophobicContact CG1-CG2 4.04Å; I141-A192 HydrophobicContact CB-CB 4.23Å; I141-A192 HydrophobicContact CD1-CB 4.14Å; I141-A192 HydrophobicContact CG1-CB 4.4Å; I141-L223 HydrophobicContact CD1-CD1 3.74Å |
| 142 | P | 56.7 | Low | 65.7 | Low | 16 Ų | 16 | 35 Ų | 35 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 166.7 | -27.9 | 35.2 | 0 | 0 | 0 | 114.5 | A137 G139 A144 I145 S146 V194 | A137-P142 HydrophobicContact CB-CB 3.61Å; A137-P142 HydrophobicContact CB-CG 3.55Å; G139-P142 VanDerWaalsContact O-CD 3.3Å; G139-P142 WeakPolarHBondContact O-CD 3.41Å; P142-A144 PolarHBondContact O-N 2.99Å; P142-I145 CarbonylContact O-C 3.44Å; P142-I145 WeakPolarHBondContact O-CA 3.32Å; P142-I145 VanDerWaalsContact O-CB 3.3Å; P142-I145 WeakPolarHBondContact O-CB 3.31Å; P142-I145 PolarHBondContact O-N 3.05Å; P142-S146 PolarHBondContact O-N 3.01Å; P142-S146 PolarHBondContact O-OG 3.39Å; P142-V194 HydrophobicContact CG-CG2 4.48Å |
| 143 | E | 58.8 | Low | 64 | Low | 85 Ų | 85 | 38 Ų | 38 | 40% | 0.397 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.9 | -44.1 | -178.9 | -157.6 | 167.7 | -156.3 | 0 | 0 | 111.1 | S140 I145 S146 D147 | S140-E143 VanDerWaalsContact O-CB 3.32Å; S140-E143 WeakPolarHBondContact O-CB 3.32Å; S140-E143 PolarHBondContact O-N 3.32Å; S140-E143 VanDerWaalsContact O-N 3.08Å; E143-I145 PolarHBondContact O-N 3.32Å; E143-S146 WeakPolarHBondContact CA-OG 3.31Å; E143-S146 PolarHBondContact O-N 3.34Å; E143-S146 PolarHBondContact O-OG 3.13Å; E143-D147 WeakPolarHBondContact O-CB 3.4Å; E143-D147 PolarHBondContact O-N 2.86Å |
| 144 | A | 58.3 | Low | 62.1 | Low | 11 Ų | 11 | 43.1 Ų | 43.1 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.2 | -10.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S140 P142 V148 N164 E168 | S140-A144 PolarHBondContact O-N 3.29Å; P142-A144 PolarHBondContact O-N 2.99Å; A144-V148 VanDerWaalsContact O-CG2 3.31Å; A144-V148 WeakPolarHBondContact O-CG2 3.43Å; A144-N164 WeakPolarHBondContact O-CB 3.35Å; A144-E168 HydrophobicContact CB-CB 3.81Å; A144-E168 HydrophobicContact CB-CG 4.02Å |
| 145 | I | 52.6 | Low | 60.5 | Low | 69 Ų | 69 | 44.5 Ų | 44.5 | 35% | 0.354 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -95.5 | -32.2 | 176.4 | -77.3 | 169.6 | 0 | 0 | 0 | 111.1 | I141 P142 E143 V148 Y161 | I141-I145 HydrophobicContact CG2-CD1 4.24Å; I141-I145 WeakPolarHBondContact O-CD1 3.28Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.2Å; I141-I145 PolarHBondContact O-N 3.28Å; P142-I145 CarbonylContact O-C 3.44Å; P142-I145 WeakPolarHBondContact O-CA 3.32Å; P142-I145 VanDerWaalsContact O-CB 3.3Å; P142-I145 WeakPolarHBondContact O-CB 3.31Å; P142-I145 PolarHBondContact O-N 3.05Å; E143-I145 PolarHBondContact O-N 3.32Å; I145-V148 WeakPolarHBondContact O-CG2 3.18Å; I145-Y161 HydrophobicContact CG2-CD1 3.93Å |
| 146 | S | 50.5 | Low | 58.7 | Low | 54 Ų | 54 | 47.2 Ų | 47.2 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.1 | -50.6 | 165.1 | 28.8 | 0 | 0 | 0 | 0 | 111.3 | P142 E143 V148 K153 | P142-S146 PolarHBondContact O-N 3.01Å; P142-S146 PolarHBondContact O-OG 3.39Å; E143-S146 WeakPolarHBondContact CA-OG 3.31Å; E143-S146 PolarHBondContact O-N 3.34Å; E143-S146 PolarHBondContact O-OG 3.13Å; S146-V148 PolarHBondContact O-N 3.44Å; S146-K153 PolarHBondContact O-NZ 2.91Å |
| 147 | D | 56.3 | Low | 57.1 | Low | 135 Ų | 135 | 48.8 Ų | 48.8 | 72% | 0.722 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -66.1 | -1.9 | -172.6 | -98.1 | 19.1 | 0 | 0 | 0 | 116.3 | E143 D149 | E143-D147 WeakPolarHBondContact O-CB 3.4Å; E143-D147 PolarHBondContact O-N 2.86Å; D147-D149 PolarHBondContact O-N 3.31Å |
| 148 | V | 54.3 | Low | 55.5 | Low | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | trans | -63.1 | 111.2 | 176.2 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | A144 I145 S146 V150 E152 K153 A160 Y161 N164 | A144-V148 VanDerWaalsContact O-CG2 3.31Å; A144-V148 WeakPolarHBondContact O-CG2 3.43Å; I145-V148 WeakPolarHBondContact O-CG2 3.18Å; S146-V148 PolarHBondContact O-N 3.44Å; V148-V150 PolarHBondContact O-N 2.99Å; V148-E152 HydrophobicContact CG1-CB 3.81Å; V148-K153 HydrophobicContact CB-CD 4.45Å; V148-K153 HydrophobicContact CB-CG 4.08Å; V148-K153 HydrophobicContact CG1-CG 3.74Å; V148-K153 VanDerWaalsContact O-CD 3.28Å; V148-K153 WeakPolarHBondContact O-CD 3.48Å; V148-K153 WeakPolarHBondContact O-CE 3.32Å; V148-K153 PolarHBondContact O-NZ 3.18Å; V148-A160 HydrophobicContact CG1-CB 3.6Å; V148-Y161 HydrophobicContact CG2-CD1 3.94Å; V148-N164 HydrophobicContact CG2-CB 4.18Å | ||
| 149 | D | 58.7 | Low | 53.9 | Low | 74 Ų | 74 | 58.5 Ų | 58.5 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | trans | -49.2 | 141.1 | 178.4 | -174.6 | -36.1 | 0 | 0 | 0 | 110.3 | D147 E151 E152 K153 K903 | D147-D149 PolarHBondContact O-N 3.31Å; D149-E151 PolarHBondContact O-N 3.5Å; D149-E151 VanDerWaalsContact O-N 3.09Å; D149-E151 WeakPolarHBondContact OD1-CB 3.39Å; D149-E151 PolarHBondContact OD1-N 3.38Å; D149-E152 HydrophobicContact CB-CG 4.37Å; D149-E152 WeakPolarHBondContact O-CA 3.45Å; D149-E152 PolarHBondContact O-N 3.46Å; D149-K153 PolarHBondContact O-N 2.96Å; D149-K903 IonicContact OD1-NZ 2.88Å; D149-K903 PolarHBondContact OD1-NZ 2.75Å; D149-K903 VanDerWaalsContact OD1-NZ 3.11Å; D149-K903 IonicContact OD2-NZ 3.3Å; D149-K903 PolarHBondContact OD2-NZ 3.08Å | ||
| 150 | V | 52.4 | Low | 53.2 | Low | 107 Ų | 107 | 58.3 Ų | 58.3 | 65% | 0.648 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -52.9 | -31.7 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | V148 T154 | V148-V150 PolarHBondContact O-N 2.99Å; V150-T154 VanDerWaalsContact O-CB 3.31Å; V150-T154 WeakPolarHBondContact O-CB 3.36Å; V150-T154 PolarHBondContact O-N 3.39Å; V150-T154 PolarHBondContact O-OG1 3.15Å |
| 151 | E | 49.1 | Very low | 52.8 | Low | 39 Ų | 39 | 61 Ų | 61 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 171.8 | -177.1 | 163.2 | -84.6 | 0 | 0 | 113.2 | D149 T154 K155 K903 F906 T907 | D149-E151 PolarHBondContact O-N 3.5Å; D149-E151 VanDerWaalsContact O-N 3.09Å; D149-E151 WeakPolarHBondContact OD1-CB 3.39Å; D149-E151 PolarHBondContact OD1-N 3.38Å; E151-T154 CarbonylContact O-C 3.54Å; E151-T154 PolarHBondContact O-N 3.13Å; E151-K155 WeakPolarHBondContact O-CA 3.22Å; E151-K155 WeakPolarHBondContact O-CB 3.46Å; E151-K155 PolarHBondContact O-N 2.93Å; E151-K903 WeakPolarHBondContact OE1-CE 3.17Å; E151-K903 WeakPolarHBondContact OE1-CG 3.42Å; E151-K903 VanDerWaalsContact OE2-CE 3.31Å; E151-K903 WeakPolarHBondContact OE2-CE 3.39Å; E151-F906 VanDerWaalsContact OE2-CD1 3.31Å; E151-F906 WeakPolarHBondContact OE2-CD1 3.3Å; E151-F906 WeakPolarHBondContact OE2-CE1 3.38Å; E151-T907 HydrophobicContact CG-CG2 4.38Å; E151-T907 WeakPolarHBondContact OE1-CG2 3.44Å |
| 152 | E | 52.1 | Low | 52.7 | Low | 65 Ų | 65 | 63.2 Ų | 63.2 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 175 | -68.9 | -157.6 | 131.8 | 0 | 0 | 111.2 | V148 D149 T154 K155 F156 A160 N164 | V148-E152 HydrophobicContact CG1-CB 3.81Å; D149-E152 HydrophobicContact CB-CG 4.37Å; D149-E152 WeakPolarHBondContact O-CA 3.45Å; D149-E152 PolarHBondContact O-N 3.46Å; E152-T154 VanDerWaalsContact C-N 3.27Å; E152-T154 PolarHBondContact O-N 2.96Å; E152-K155 PolarHBondContact O-N 3.27Å; E152-K155 VanDerWaalsContact O-N 3.08Å; E152-F156 PolarHBondContact O-N 3.14Å; E152-A160 HydrophobicContact CB-CB 4.33Å; E152-A160 VanDerWaalsContact O-CB 3.27Å; E152-A160 WeakPolarHBondContact O-CB 3.35Å; E152-N164 PolarHBondContact OE2-ND2 3.43Å |
| 153 | K | 50.5 | Low | 53 | Low | 63 Ų | 63 | 65.7 Ų | 65.7 | 27% | 0.274 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -50.5 | -47.3 | 169.8 | -72.5 | 168.8 | 168.5 | 132.8 | 0 | 110.3 | S146 V148 D149 G157 Y161 | S146-K153 PolarHBondContact O-NZ 2.91Å; V148-K153 HydrophobicContact CB-CD 4.45Å; V148-K153 HydrophobicContact CB-CG 4.08Å; V148-K153 HydrophobicContact CG1-CG 3.74Å; V148-K153 VanDerWaalsContact O-CD 3.28Å; V148-K153 WeakPolarHBondContact O-CD 3.48Å; V148-K153 WeakPolarHBondContact O-CE 3.32Å; V148-K153 PolarHBondContact O-NZ 3.18Å; D149-K153 PolarHBondContact O-N 2.96Å; K153-G157 VanDerWaalsContact O-CA 3.22Å; K153-G157 WeakPolarHBondContact O-CA 3.28Å; K153-G157 PolarHBondContact O-N 3.09Å; K153-Y161 HydrophobicContact CD-CE1 4.46Å; K153-Y161 WeakPolarHBondContact CE-OH 3.35Å; K153-Y161 HydrophobicContact CG-CE1 4.34Å; K153-Y161 HydrophobicContact CG-CE2 4.35Å |
| 154 | T | 43.8 | Very low | 53.1 | Low | 111 Ų | 111 | 62.3 Ų | 62.3 | 68% | 0.681 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.7 | -35.3 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | V150 E151 E152 | V150-T154 VanDerWaalsContact O-CB 3.31Å; V150-T154 WeakPolarHBondContact O-CB 3.36Å; V150-T154 PolarHBondContact O-N 3.39Å; V150-T154 PolarHBondContact O-OG1 3.15Å; E151-T154 CarbonylContact O-C 3.54Å; E151-T154 PolarHBondContact O-N 3.13Å; E152-T154 VanDerWaalsContact C-N 3.27Å; E152-T154 PolarHBondContact O-N 2.96Å |
| 155 | K | 41.6 | Very low | 53.2 | Low | 33 Ų | 33 | 62.2 Ų | 62.2 | 14% | 0.143 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -80.8 | -38.4 | -172.1 | -179.9 | 173.8 | 174.4 | 167.4 | 0 | 112.6 | E151 E152 F906 E910 K914 | E151-K155 WeakPolarHBondContact O-CA 3.22Å; E151-K155 WeakPolarHBondContact O-CB 3.46Å; E151-K155 PolarHBondContact O-N 2.93Å; E152-K155 PolarHBondContact O-N 3.27Å; E152-K155 VanDerWaalsContact O-N 3.08Å; K155-F906 HydrophobicContact CD-CE1 4.4Å; K155-E910 HydrophobicContact CD-CG 4.27Å; K155-E910 WeakPolarHBondContact CE-OE1 3.31Å; K155-E910 WeakPolarHBondContact CE-OE2 3.33Å; K155-E910 IonicContact NZ-OE1 3.87Å; K155-E910 PolarHBondContact NZ-OE1 3.11Å; K155-E910 IonicContact NZ-OE2 3.24Å; K155-K914 WeakPolarHBondContact O-CE 3.31Å; K155-K914 PolarHBondContact O-NZ 3.27Å |
| 156 | F | 45.9 | Very low | 53.8 | Low | 82 Ų | 82 | 60.9 Ų | 60.9 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -116.4 | -14.7 | -174.9 | -63 | -75.3 | 0 | 0 | 0 | 113.8 | E152 K158 L159 A160 | E152-F156 PolarHBondContact O-N 3.14Å; F156-K158 PolarHBondContact O-N 2.61Å; F156-L159 HydrophobicContact CB-CB 3.97Å; F156-L159 WeakPolarHBondContact O-CB 3.41Å; F156-L159 PolarHBondContact O-N 3.41Å; F156-L159 VanDerWaalsContact O-N 3.12Å; F156-A160 HydrophobicContact CB-CB 3.96Å |
| 157 | G | 51.9 | Low | 54.4 | Low | 33 Ų | 33 | 63.9 Ų | 63.9 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -125.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K153 L159 A160 | K153-G157 VanDerWaalsContact O-CA 3.22Å; K153-G157 WeakPolarHBondContact O-CA 3.28Å; K153-G157 PolarHBondContact O-N 3.09Å; G157-L159 PolarHBondContact O-N 3.2Å; G157-A160 WeakPolarHBondContact O-CB 3.41Å; G157-A160 PolarHBondContact O-N 3.28Å |
| 158 | K | 48.8 | Very low | 54.7 | Low | 112 Ų | 112 | 59.7 Ų | 59.7 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -52 | -30.1 | 175.8 | -52.4 | -152.4 | 176.1 | -156.6 | 0 | 113.8 | F156 V203 | F156-K158 PolarHBondContact O-N 2.61Å; K158-V203 HydrophobicContact CB-CB 4.35Å; K158-V203 HydrophobicContact CB-CG2 4.32Å; K158-V203 HydrophobicContact CD-CB 3.78Å; K158-V203 HydrophobicContact CD-CG1 3.94Å; K158-V203 VanDerWaalsContact CE-CG1 3.47Å; K158-V203 HydrophobicContact CG-CB 3.69Å; K158-V203 HydrophobicContact CG-CG1 3.85Å; K158-V203 HydrophobicContact CG-CG2 4.01Å; K158-V203 PolarHBondContact NZ-O 3.44Å |
| 159 | L | 50.1 | Low | 54.9 | Low | 100 Ų | 100 | 60 Ų | 60 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -78.3 | -15.7 | -179.1 | -77.3 | 162.2 | 0 | 0 | 0 | 113.6 | F156 G157 F162 V163 | F156-L159 HydrophobicContact CB-CB 3.97Å; F156-L159 WeakPolarHBondContact O-CB 3.41Å; F156-L159 PolarHBondContact O-N 3.41Å; F156-L159 VanDerWaalsContact O-N 3.12Å; G157-L159 PolarHBondContact O-N 3.2Å; L159-F162 HydrophobicContact CD2-CD1 4.25Å; L159-F162 PolarHBondContact O-N 2.92Å; L159-V163 WeakPolarHBondContact O-CB 3.42Å; L159-V163 VanDerWaalsContact O-CG2 3.23Å; L159-V163 WeakPolarHBondContact O-CG2 3.46Å; L159-V163 PolarHBondContact O-N 3.33Å |
| 160 | A | 58.6 | Low | 54.9 | Low | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66 | -56.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V148 E152 F156 G157 F162 V163 N164 | V148-A160 HydrophobicContact CG1-CB 3.6Å; E152-A160 HydrophobicContact CB-CB 4.33Å; E152-A160 VanDerWaalsContact O-CB 3.27Å; E152-A160 WeakPolarHBondContact O-CB 3.35Å; F156-A160 HydrophobicContact CB-CB 3.96Å; G157-A160 WeakPolarHBondContact O-CB 3.41Å; G157-A160 PolarHBondContact O-N 3.28Å; A160-F162 VanDerWaalsContact C-N 3.26Å; A160-F162 PolarHBondContact O-N 3.46Å; A160-V163 PolarHBondContact O-N 3.32Å; A160-V163 VanDerWaalsContact O-N 3.1Å; A160-N164 PolarHBondContact O-N 3.2Å; A160-N164 VanDerWaalsContact O-N 3.11Å |
| 161 | Y | 56.5 | Low | 55.1 | Low | 61 Ų | 61 | 61.8 Ų | 61.8 | 24% | 0.239 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.1 | -38.6 | 173.6 | -55 | -80.8 | 0 | 0 | 0 | 112.6 | I145 V148 K153 G165 V203 | I145-Y161 HydrophobicContact CG2-CD1 3.93Å; V148-Y161 HydrophobicContact CG2-CD1 3.94Å; K153-Y161 HydrophobicContact CD-CE1 4.46Å; K153-Y161 WeakPolarHBondContact CE-OH 3.35Å; K153-Y161 HydrophobicContact CG-CE1 4.34Å; K153-Y161 HydrophobicContact CG-CE2 4.35Å; Y161-G165 PolarHBondContact O-N 2.89Å; Y161-V203 HydrophobicContact CD2-CG2 4.15Å; Y161-V203 HydrophobicContact CE2-CG2 4.11Å |
| 162 | F | 59.7 | Low | 55.7 | Low | 74 Ų | 74 | 61.2 Ų | 61.2 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 176.2 | -176.1 | -102.3 | 0 | 0 | 0 | 112.7 | L159 A160 V166 V235 I239 | L159-F162 HydrophobicContact CD2-CD1 4.25Å; L159-F162 PolarHBondContact O-N 2.92Å; A160-F162 VanDerWaalsContact C-N 3.26Å; A160-F162 PolarHBondContact O-N 3.46Å; F162-V166 HydrophobicContact CD1-CG2 4.35Å; F162-V166 HydrophobicContact CD2-CG2 4.22Å; F162-V166 HydrophobicContact CE1-CG2 3.99Å; F162-V166 HydrophobicContact CE2-CG2 3.83Å; F162-V166 HydrophobicContact CG-CG2 4.47Å; F162-V166 HydrophobicContact CZ-CG2 3.71Å; F162-V166 VanDerWaalsContact O-CB 3.25Å; F162-V166 WeakPolarHBondContact O-CB 3.43Å; F162-V166 WeakPolarHBondContact O-CG2 3.36Å; F162-V166 PolarHBondContact O-N 3.43Å; F162-V235 HydrophobicContact CE2-CG1 4Å; F162-V235 HydrophobicContact CZ-CG1 4.33Å; F162-I239 HydrophobicContact CE2-CD1 4.02Å |
| 163 | V | 61.9 | Low | 56.3 | Low | 69 Ų | 69 | 65.3 Ų | 65.3 | 42% | 0.418 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.6 | -46.7 | -179 | 165.5 | 0 | 0 | 0 | 0 | 111.6 | L159 A160 V166 K167 | L159-V163 WeakPolarHBondContact O-CB 3.42Å; L159-V163 VanDerWaalsContact O-CG2 3.23Å; L159-V163 WeakPolarHBondContact O-CG2 3.46Å; L159-V163 PolarHBondContact O-N 3.33Å; A160-V163 PolarHBondContact O-N 3.32Å; A160-V163 VanDerWaalsContact O-N 3.1Å; V163-V166 PolarHBondContact O-N 3.08Å; V163-K167 VanDerWaalsContact O-CB 3.28Å; V163-K167 WeakPolarHBondContact O-CB 3.42Å; V163-K167 PolarHBondContact O-N 3.04Å |
| 164 | N | 62.1 | Low | 57.5 | Low | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.07 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.9 | -37.7 | 178.1 | -72.1 | -27.6 | 0 | 0 | 0 | 112.2 | A144 V148 E152 A160 V166 K167 E168 | A144-N164 WeakPolarHBondContact O-CB 3.35Å; V148-N164 HydrophobicContact CG2-CB 4.18Å; E152-N164 PolarHBondContact OE2-ND2 3.43Å; A160-N164 PolarHBondContact O-N 3.2Å; A160-N164 VanDerWaalsContact O-N 3.11Å; N164-V166 VanDerWaalsContact C-N 3.32Å; N164-V166 PolarHBondContact O-N 2.57Å; N164-K167 WeakPolarHBondContact O-CB 3.2Å; N164-K167 PolarHBondContact O-N 3.43Å; N164-E168 PolarHBondContact O-N 3.07Å; N164-E168 VanDerWaalsContact O-N 3.09Å |
| 165 | G | 60.7 | Low | 59.3 | Low | 9 Ų | 9 | 60.8 Ų | 60.8 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y161 K167 V169 | Y161-G165 PolarHBondContact O-N 2.89Å; G165-K167 VanDerWaalsContact C-N 3.34Å; G165-V169 VanDerWaalsContact O-CG2 3.23Å; G165-V169 WeakPolarHBondContact O-CG2 3.47Å; G165-V169 PolarHBondContact O-N 3.39Å |
| 166 | V | 63.3 | Low | 61.4 | Low | 41 Ų | 41 | 62.5 Ų | 62.5 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.8 | -24.2 | 174 | 166.4 | 0 | 0 | 0 | 0 | 112.7 | F162 V163 N164 F170 | F162-V166 HydrophobicContact CD1-CG2 4.35Å; F162-V166 HydrophobicContact CD2-CG2 4.22Å; F162-V166 HydrophobicContact CE1-CG2 3.99Å; F162-V166 HydrophobicContact CE2-CG2 3.83Å; F162-V166 HydrophobicContact CG-CG2 4.47Å; F162-V166 HydrophobicContact CZ-CG2 3.71Å; F162-V166 VanDerWaalsContact O-CB 3.25Å; F162-V166 WeakPolarHBondContact O-CB 3.43Å; F162-V166 WeakPolarHBondContact O-CG2 3.36Å; F162-V166 PolarHBondContact O-N 3.43Å; V163-V166 PolarHBondContact O-N 3.08Å; N164-V166 VanDerWaalsContact C-N 3.32Å; N164-V166 PolarHBondContact O-N 2.57Å; V166-F170 HydrophobicContact CG1-CE2 4.06Å; V166-F170 WeakPolarHBondContact O-CD2 3.43Å; V166-F170 WeakPolarHBondContact O-CE2 3.44Å |
| 167 | K | 63.8 | Low | 63.3 | Low | 117 Ų | 117 | 58.7 Ų | 58.7 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.2 | -46.8 | -179.5 | -179.4 | -176.7 | 163.7 | -142 | 0 | 111.3 | V163 N164 G165 F170 | V163-K167 VanDerWaalsContact O-CB 3.28Å; V163-K167 WeakPolarHBondContact O-CB 3.42Å; V163-K167 PolarHBondContact O-N 3.04Å; N164-K167 WeakPolarHBondContact O-CB 3.2Å; N164-K167 PolarHBondContact O-N 3.43Å; G165-K167 VanDerWaalsContact C-N 3.34Å; K167-F170 PolarHBondContact O-N 2.81Å |
| 168 | E | 62.1 | Low | 65.1 | Low | 48 Ų | 48 | 59.4 Ų | 59.4 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.3 | -28.6 | 179.1 | -117.3 | 49.6 | -128.5 | 0 | 0 | 113.1 | A144 N164 F170 N171 D172 | A144-E168 HydrophobicContact CB-CB 3.81Å; A144-E168 HydrophobicContact CB-CG 4.02Å; N164-E168 PolarHBondContact O-N 3.07Å; N164-E168 VanDerWaalsContact O-N 3.09Å; E168-F170 PolarHBondContact O-N 2.69Å; E168-N171 PolarHBondContact O-N 2.88Å; E168-N171 PolarHBondContact OE1-ND2 3.22Å; E168-D172 PolarHBondContact O-N 2.92Å; E168-D172 VanDerWaalsContact O-N 3.13Å; E168-D172 VanDerWaalsContact O-OD2 3.05Å |
| 169 | V | 59.9 | Low | 66.9 | Low | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -25.9 | 167.1 | 155.1 | 0 | 0 | 0 | 0 | 113.8 | I141 G165 R231 | I141-V169 HydrophobicContact CD1-CG2 3.58Å; I141-V169 HydrophobicContact CG1-CG2 4.04Å; G165-V169 VanDerWaalsContact O-CG2 3.23Å; G165-V169 WeakPolarHBondContact O-CG2 3.47Å; G165-V169 PolarHBondContact O-N 3.39Å; V169-R231 HydrophobicContact CG1-CB 3.95Å; V169-R231 VanDerWaalsContact O-CD 3.27Å; V169-R231 WeakPolarHBondContact O-CD 3.48Å; V169-R231 PolarHBondContact O-NH1 3.1Å |
| 170 | F | 57.7 | Low | 68.8 | Low | 108 Ų | 108 | 52.3 Ų | 52.3 | 47% | 0.474 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -15.5 | 174.3 | -68.6 | -71.2 | 0 | 0 | 0 | 115.5 | V166 K167 E168 I228 L232 | V166-F170 HydrophobicContact CG1-CE2 4.06Å; V166-F170 WeakPolarHBondContact O-CD2 3.43Å; V166-F170 WeakPolarHBondContact O-CE2 3.44Å; K167-F170 PolarHBondContact O-N 2.81Å; E168-F170 PolarHBondContact O-N 2.69Å; F170-I228 HydrophobicContact CD1-CG2 4.23Å; F170-I228 HydrophobicContact CE1-CG2 4.32Å; F170-L232 HydrophobicContact CE1-CD1 4.38Å; F170-L232 HydrophobicContact CE1-CD2 4.44Å; F170-L232 HydrophobicContact CZ-CD2 4.11Å |
| 171 | N | 57.9 | Low | 70.1 | Confident | 110 Ų | 110 | 53.5 Ų | 53.5 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -32.1 | -176.3 | -71.8 | -17.1 | 0 | 0 | 0 | 113.5 | E168 | E168-N171 PolarHBondContact O-N 2.88Å; E168-N171 PolarHBondContact OE1-ND2 3.22Å |
| 172 | D | 60.2 | Low | 71.4 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | trans | -71.1 | 150.9 | -158 | -66 | -33.7 | 0 | 0 | 0 | 117.4 | S140 E168 R231 | S140-D172 WeakPolarHBondContact CB-OD1 3.08Å; S140-D172 VanDerWaalsContact CB-OD2 3.3Å; S140-D172 WeakPolarHBondContact CB-OD2 3.3Å; S140-D172 PolarHBondContact OG-OD1 3.01Å; S140-D172 PolarHBondContact OG-OD2 2.86Å; E168-D172 PolarHBondContact O-N 2.92Å; E168-D172 VanDerWaalsContact O-N 3.13Å; E168-D172 VanDerWaalsContact O-OD2 3.05Å; D172-R231 VanDerWaalsContact O-CZ 3.3Å; D172-R231 PolarHBondContact O-NH1 3.18Å; D172-R231 PolarHBondContact O-NH2 2.99Å | ||
| 173 | E | 65.5 | Low | 72.3 | Confident | 152 Ų | 152 | 54 Ų | 54 | 71% | 0.71 | 29% | 0.289 | S | S | * | . | trans | -88.5 | 169.9 | 163.2 | -58.6 | -165.3 | 152.6 | 0 | 0 | 111.5 | ||||
| 174 | N | 75 | Confident | 73.1 | Confident | 42 Ų | 42 | 58 Ų | 58 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | trans | -107.8 | 140.9 | 178.3 | -67.6 | 11 | 0 | 0 | 0 | 110.5 | E189 D225 R231 | N174-E189 HydrophobicContact CB-CG 4.18Å; N174-D225 PolarHBondContact ND2-O 2.74Å; N174-R231 PolarHBondContact OD1-NH2 2.77Å | ||
| 175 | Y | 81.2 | Confident | 74.3 | Confident | 37 Ų | 37 | 64 Ų | 64 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.8 | -179.2 | -54.9 | -75.9 | 0 | 0 | 0 | 112.4 | F177 E189 S190 V265 L267 | Y175-F177 HydrophobicContact CD2-CE2 4.48Å; Y175-F177 HydrophobicContact CD2-CZ 4.33Å; Y175-F177 HydrophobicContact CG-CZ 4.37Å; Y175-F177 PolarHBondContact O-N 3.1Å; Y175-E189 WeakPolarHBondContact O-CA 3.22Å; Y175-S190 PolarHBondContact N-O 3.1Å; Y175-S190 PolarHBondContact O-N 3.04Å; Y175-V265 HydrophobicContact CE1-CG1 4.14Å; Y175-V265 HydrophobicContact CE1-CG2 4.46Å; Y175-L267 HydrophobicContact CD1-CD1 4.06Å; Y175-L267 HydrophobicContact CD2-CD1 4.43Å; Y175-L267 HydrophobicContact CD2-CD2 4.45Å; Y175-L267 HydrophobicContact CE1-CD1 4.34Å; Y175-L267 HydrophobicContact CE1-CD2 4.2Å; Y175-L267 HydrophobicContact CE2-CD2 3.97Å; Y175-L267 HydrophobicContact CG-CD1 4.11Å |
| 176 | H | 86 | Confident | 75.4 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 89.9 | 177.2 | -71.7 | 78.8 | 0 | 0 | 0 | 111.5 | E189 K262 E263 | H176-E189 IonicContact CE1-OE1 2.8Å; H176-E189 IonicContact NE2-OE1 2.88Å; H176-K262 HydrophobicContact CB-CB 3.92Å; H176-K262 HydrophobicContact CB-CD 3.98Å; H176-K262 VanDerWaalsContact O-CB 3.31Å; H176-K262 WeakPolarHBondContact O-CB 3.45Å; H176-K262 PolarHBondContact O-N 2.74Å; H176-K262 VanDerWaalsContact O-N 3.11Å; H176-E263 WeakPolarHBondContact CB-OE1 3.48Å; H176-E263 IonicContact CE1-OE1 2.8Å; H176-E263 IonicContact CG-OE1 3.74Å; H176-E263 PolarHBondContact N-OE1 2.98Å; H176-E263 VanDerWaalsContact N-OE1 3.16Å; H176-E263 PolarHBondContact N-OE2 3.08Å; H176-E263 VanDerWaalsContact N-OE2 3.09Å; H176-E263 IonicContact ND1-OE1 3.37Å; H176-E263 PolarHBondContact ND1-OE1 2.91Å |
| 177 | F | 87.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 140.8 | 173.6 | -57.9 | -77.4 | 0 | 0 | 0 | 112 | V138 Y175 A187 I188 V193 L259 T260 V261 L267 | V138-F177 HydrophobicContact CG1-CE1 3.87Å; V138-F177 HydrophobicContact CG1-CZ 4.13Å; Y175-F177 HydrophobicContact CD2-CE2 4.48Å; Y175-F177 HydrophobicContact CD2-CZ 4.33Å; Y175-F177 HydrophobicContact CG-CZ 4.37Å; Y175-F177 PolarHBondContact O-N 3.1Å; F177-A187 WeakPolarHBondContact O-CA 3.37Å; F177-I188 HydrophobicContact CB-CD1 4.28Å; F177-I188 HydrophobicContact CB-CG1 3.76Å; F177-I188 HydrophobicContact CD2-CG1 4.48Å; F177-I188 PolarHBondContact N-O 2.77Å; F177-I188 PolarHBondContact O-N 3.29Å; F177-V193 HydrophobicContact CD2-CG2 3.57Å; F177-V193 HydrophobicContact CE2-CG2 3.62Å; F177-V193 HydrophobicContact CG-CG2 4.08Å; F177-V193 HydrophobicContact CZ-CG2 4.19Å; F177-L259 HydrophobicContact CB-CD1 3.81Å; F177-L259 HydrophobicContact CD1-CD1 3.78Å; F177-L259 HydrophobicContact CD1-CD2 4.46Å; F177-L259 HydrophobicContact CD1-CG 4.27Å; F177-L259 HydrophobicContact CG-CD1 4.03Å; F177-T260 CarbonylContact C-O 3.55Å; F177-T260 WeakPolarHBondContact CA-O 3.18Å; F177-V261 HydrophobicContact CD1-CB 4.21Å; F177-V261 HydrophobicContact CD1-CG2 4.37Å; F177-V261 HydrophobicContact CE1-CB 4.34Å; F177-V261 HydrophobicContact CE1-CG2 4.33Å; F177-L267 HydrophobicContact CE1-CD1 4.28Å; F177-L267 HydrophobicContact CZ-CD1 4.39Å |
| 178 | T | 88.9 | Confident | 77.6 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.2 | 164.6 | -62.4 | 0 | 0 | 0 | 0 | 108.2 | T260 | T178-T260 WeakPolarHBondContact CB-OG1 3.33Å; T178-T260 PolarHBondContact N-O 2.82Å; T178-T260 PolarHBondContact O-N 2.93Å; T178-T260 PolarHBondContact O-OG1 3.16Å |
| 179 | L | 87.1 | Confident | 78.6 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.3 | -171.4 | -126.1 | 155.9 | 0 | 0 | 0 | 109.4 | I181 K185 T186 I188 V193 L220 R258 L259 | L179-I181 HydrophobicContact CD2-CD1 3.96Å; L179-I181 HydrophobicContact CD2-CG1 3.54Å; L179-K185 CarbonylContact O-C 3.45Å; L179-K185 WeakPolarHBondContact O-CA 3.41Å; L179-T186 PolarHBondContact N-O 3.21Å; L179-T186 PolarHBondContact O-N 2.96Å; L179-I188 HydrophobicContact CD1-CD1 3.83Å; L179-V193 HydrophobicContact CD1-CG1 4.37Å; L179-L220 HydrophobicContact CD1-CD1 4.09Å; L179-L220 HydrophobicContact CD1-CD2 3.85Å; L179-L220 HydrophobicContact CD2-CD2 4.25Å; L179-R258 WeakPolarHBondContact CA-O 3.29Å; L179-L259 HydrophobicContact CD1-CD1 3.77Å; L179-L259 HydrophobicContact CG-CD1 3.74Å |
| 180 | E | 89.9 | Confident | 79.7 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 103.2 | -177.9 | -178.8 | 163.4 | -140.3 | 0 | 0 | 107.9 | E184 K185 G257 R258 | E180-E184 CarbonylContact C-O 3.53Å; E180-E184 VanDerWaalsContact CA-O 3.32Å; E180-E184 WeakPolarHBondContact CA-O 3.06Å; E180-K185 HydrophobicContact CB-CG 4.08Å; E180-K185 HydrophobicContact CG-CG 3.89Å; E180-K185 WeakPolarHBondContact OE1-CE 3.38Å; E180-K185 IonicContact OE1-NZ 2.9Å; E180-K185 PolarHBondContact OE1-NZ 3.13Å; E180-K185 IonicContact OE2-NZ 2.98Å; E180-K185 PolarHBondContact OE2-NZ 2.94Å; E180-G257 CarbonylContact O-C 3.6Å; E180-G257 WeakPolarHBondContact O-CA 3.37Å; E180-R258 HydrophobicContact CB-CB 4.17Å; E180-R258 PolarHBondContact N-O 2.66Å; E180-R258 PolarHBondContact O-N 3.2Å |
| 181 | I | 86.2 | Confident | 80.7 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.3 | -170.4 | -53.7 | 177.5 | 0 | 0 | 0 | 109.2 | L179 G183 E184 L220 T252 F254 | L179-I181 HydrophobicContact CD2-CD1 3.96Å; L179-I181 HydrophobicContact CD2-CG1 3.54Å; I181-G183 PolarHBondContact O-N 3.1Å; I181-E184 PolarHBondContact N-O 3.07Å; I181-E184 PolarHBondContact O-N 3.4Å; I181-L220 HydrophobicContact CD1-CD2 3.61Å; I181-T252 HydrophobicContact CD1-CG2 4.24Å; I181-F254 HydrophobicContact CG2-CB 3.25Å; I181-F254 HydrophobicContact CG2-CD1 4.49Å; I181-F254 HydrophobicContact CG2-CD2 3.91Å; I181-F254 HydrophobicContact CG2-CG 3.69Å |
| 182 | D | 83.8 | Confident | 81.7 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 23.2 | 176.5 | -62.3 | -42.8 | 0 | 0 | 0 | 114.5 | F254 T255 E256 | D182-F254 WeakPolarHBondContact OD2-CA 3.44Å; D182-F254 WeakPolarHBondContact OD2-CB 3.5Å; D182-T255 PolarHBondContact OD1-N 3.04Å; D182-T255 VanDerWaalsContact OD1-N 3.15Å; D182-T255 PolarHBondContact OD1-OG1 3.38Å; D182-T255 PolarHBondContact OD2-N 3.02Å; D182-T255 VanDerWaalsContact OD2-N 3.17Å; D182-E256 PolarHBondContact N-O 3.35Å; D182-E256 PolarHBondContact OD1-N 3.21Å |
| 183 | G | 77.7 | Confident | 82.9 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 68% | 0.68 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.9 | -12.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | I181 | I181-G183 PolarHBondContact O-N 3.1Š|
| 184 | E | 79.5 | Confident | 83.9 | Confident | 152 Ų | 152 | 48.4 Ų | 48.4 | 71% | 0.71 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.1 | 176.5 | -68 | -157.2 | 136.6 | 0 | 0 | 112.6 | E180 I181 | E180-E184 CarbonylContact C-O 3.53Å; E180-E184 VanDerWaalsContact CA-O 3.32Å; E180-E184 WeakPolarHBondContact CA-O 3.06Å; I181-E184 PolarHBondContact N-O 3.07Å; I181-E184 PolarHBondContact O-N 3.4Å |
| 185 | K | 86.3 | Confident | 84.5 | Confident | 140 Ų | 140 | 46.4 Ų | 46.4 | 61% | 0.609 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.4 | 175.7 | -71 | -177.6 | -175 | -72.6 | 0 | 111.4 | L179 E180 | L179-K185 CarbonylContact O-C 3.45Å; L179-K185 WeakPolarHBondContact O-CA 3.41Å; E180-K185 HydrophobicContact CB-CG 4.08Å; E180-K185 HydrophobicContact CG-CG 3.89Å; E180-K185 WeakPolarHBondContact OE1-CE 3.38Å; E180-K185 IonicContact OE1-NZ 2.9Å; E180-K185 PolarHBondContact OE1-NZ 3.13Å; E180-K185 IonicContact OE2-NZ 2.98Å; E180-K185 PolarHBondContact OE2-NZ 2.94Å |
| 186 | T | 84.8 | Confident | 84.8 | Confident | 67 Ų | 67 | 44.6 Ų | 44.6 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.4 | 174.8 | -55 | 0 | 0 | 0 | 0 | 110 | L179 I188 | L179-T186 PolarHBondContact N-O 3.21Å; L179-T186 PolarHBondContact O-N 2.96Å; T186-I188 HydrophobicContact CG2-CG2 4.03Å |
| 187 | A | 86 | Confident | 84.7 | Confident | 80 Ų | 80 | 41.5 Ų | 41.5 | 66% | 0.661 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | F177 | F177-A187 WeakPolarHBondContact O-CA 3.37Å |
| 188 | I | 86.2 | Confident | 84.3 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.8 | 178.6 | 65.9 | 176.7 | 0 | 0 | 0 | 110.1 | F177 L179 T186 V193 Y222 | F177-I188 HydrophobicContact CB-CD1 4.28Å; F177-I188 HydrophobicContact CB-CG1 3.76Å; F177-I188 HydrophobicContact CD2-CG1 4.48Å; F177-I188 PolarHBondContact N-O 2.77Å; F177-I188 PolarHBondContact O-N 3.29Å; L179-I188 HydrophobicContact CD1-CD1 3.83Å; T186-I188 HydrophobicContact CG2-CG2 4.03Å; I188-V193 HydrophobicContact CD1-CG2 4.01Å; I188-Y222 HydrophobicContact CB-CD2 4.36Å; I188-Y222 HydrophobicContact CB-CE2 4.31Å; I188-Y222 HydrophobicContact CD1-CD1 4.06Å; I188-Y222 HydrophobicContact CD1-CD2 4.01Å; I188-Y222 HydrophobicContact CD1-CG 3.76Å; I188-Y222 HydrophobicContact CG2-CD2 4.31Å; I188-Y222 HydrophobicContact CG2-CE1 4.43Å; I188-Y222 HydrophobicContact CG2-CE2 3.85Å |
| 189 | E | 84.3 | Confident | 83.7 | Confident | 89 Ų | 89 | 44.5 Ų | 44.5 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 113.5 | 176.1 | -177.6 | 179.1 | -153.3 | 0 | 0 | 105.8 | N174 Y175 H176 | N174-E189 HydrophobicContact CB-CG 4.18Å; Y175-E189 WeakPolarHBondContact O-CA 3.22Å; H176-E189 IonicContact CE1-OE1 2.8Å; H176-E189 IonicContact NE2-OE1 2.88Å |
| 190 | S | 83.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 148.8 | -169.6 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | Y175 A192 L223 | Y175-S190 PolarHBondContact N-O 3.1Å; Y175-S190 PolarHBondContact O-N 3.04Å; S190-A192 PolarHBondContact OG-N 2.92Å; S190-A192 VanDerWaalsContact OG-N 3.15Å; S190-A192 PolarHBondContact OG-O 3.14Å; S190-L223 WeakPolarHBondContact CB-O 3.47Å; S190-L223 PolarHBondContact OG-N 3.15Å; S190-L223 VanDerWaalsContact OG-N 3.14Å; S190-L223 PolarHBondContact OG-O 2.95Å |
| 191 | S | 77 | Confident | 81.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -76.5 | -25 | 167.8 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | D225 | S191-D225 WeakPolarHBondContact CB-OD2 3.45Å; S191-D225 PolarHBondContact N-OD1 2.79Å; S191-D225 PolarHBondContact OG-OD1 3.41Å; S191-D225 PolarHBondContact OG-OD2 3.46Å |
| 192 | A | 79.1 | Confident | 80.5 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 147.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I141 S190 | I141-A192 HydrophobicContact CB-CB 4.23Å; I141-A192 HydrophobicContact CD1-CB 4.14Å; I141-A192 HydrophobicContact CG1-CB 4.4Å; S190-A192 PolarHBondContact OG-N 2.92Å; S190-A192 VanDerWaalsContact OG-N 3.15Å; S190-A192 PolarHBondContact OG-O 3.14Å |
| 193 | V | 86.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.3 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | A137 V138 F177 L179 I188 M195 L220 L259 | A137-V193 WeakPolarHBondContact CA-O 3.28Å; V138-V193 PolarHBondContact N-O 3.3Å; V138-V193 PolarHBondContact O-N 3.17Å; F177-V193 HydrophobicContact CD2-CG2 3.57Å; F177-V193 HydrophobicContact CE2-CG2 3.62Å; F177-V193 HydrophobicContact CG-CG2 4.08Å; F177-V193 HydrophobicContact CZ-CG2 4.19Å; L179-V193 HydrophobicContact CD1-CG1 4.37Å; I188-V193 HydrophobicContact CD1-CG2 4.01Å; V193-M195 HydrophobicContact CG1-CE 4.37Å; V193-L220 HydrophobicContact CG1-CD1 3.7Å; V193-L259 HydrophobicContact CG1-CD2 4.43Å |
| 194 | V | 85.7 | Confident | 78.4 | Confident | 31 Ų | 31 | 40.5 Ų | 40.5 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.1 | -175.5 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | I135 A137 P142 V196 L220 L221 | I135-V194 HydrophobicContact CD1-CG1 3.83Å; I135-V194 HydrophobicContact CG1-CG1 4.02Å; A137-V194 HydrophobicContact CB-CG2 4.29Å; P142-V194 HydrophobicContact CG-CG2 4.48Å; V194-V196 HydrophobicContact CG1-CG2 4.03Å; V194-L220 CarbonylContact O-C 3.6Å; V194-L221 PolarHBondContact N-O 3.36Å; V194-L221 PolarHBondContact O-N 3.06Å |
| 195 | M | 88 | Confident | 77.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130.1 | 180 | -72.3 | 159.4 | -69.9 | 0 | 0 | 109.3 | I135 V136 V193 L218 Y219 L220 F254 L259 F283 | I135-M195 CarbonylContact C-O 3.47Å; I135-M195 WeakPolarHBondContact CA-O 3.27Å; V136-M195 HydrophobicContact CB-CE 4.28Å; V136-M195 HydrophobicContact CG1-CE 4.17Å; V136-M195 PolarHBondContact N-O 2.84Å; V136-M195 PolarHBondContact O-N 3.43Å; V193-M195 HydrophobicContact CG1-CE 4.37Å; M195-L218 HydrophobicContact CB-CD2 3.85Å; M195-L218 HydrophobicContact CB-CG 4.45Å; M195-L218 HydrophobicContact CG-CD2 4.33Å; M195-Y219 CarbonylContact C-O 3.48Å; M195-Y219 WeakPolarHBondContact CA-O 3.34Å; M195-L220 HydrophobicContact CG-CD1 3.56Å; M195-L220 HydrophobicContact SD-CD1 4.16Å; M195-F254 HydrophobicContact CG-CE1 4.26Å; M195-F254 HydrophobicContact CG-CZ 4.31Å; M195-F254 HydrophobicContact SD-CZ 4.17Å; M195-L259 HydrophobicContact CE-CD2 4.43Å; M195-F283 HydrophobicContact CE-CD1 4.42Å; M195-F283 HydrophobicContact CE-CE1 3.55Å; M195-F283 HydrophobicContact CE-CE2 4.18Å; M195-F283 HydrophobicContact CE-CZ 3.4Å; M195-F283 HydrophobicContact SD-CD1 4.01Å; M195-F283 HydrophobicContact SD-CD2 4.09Å; M195-F283 HydrophobicContact SD-CE1 3.67Å; M195-F283 HydrophobicContact SD-CE2 3.77Å; M195-F283 HydrophobicContact SD-CG 4.22Å; M195-F283 HydrophobicContact SD-CZ 3.54Å; M195-F283 VanDerWaalsContact SD-CZ 3.54Å |
| 196 | V | 86.4 | Confident | 77 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.9 | -168 | -146.7 | 0 | 0 | 0 | 0 | 112 | N134 V194 T198 I201 V208 Y219 L221 | N134-V196 CarbonylContact O-C 3.57Å; N134-V196 WeakPolarHBondContact O-CA 3.36Å; N134-V196 WeakPolarHBondContact O-CG1 3.46Å; V194-V196 HydrophobicContact CG1-CG2 4.03Å; V196-T198 WeakPolarHBondContact CG1-O 3.42Å; V196-I201 HydrophobicContact CG1-CD1 4.39Å; V196-I201 HydrophobicContact CG1-CG1 3.98Å; V196-I201 HydrophobicContact CG2-CD1 3.88Å; V196-I201 HydrophobicContact CG2-CG1 4.33Å; V196-V208 HydrophobicContact CB-CG2 4.4Å; V196-V208 HydrophobicContact CG2-CG2 3.95Å; V196-Y219 PolarHBondContact N-O 2.96Å; V196-Y219 PolarHBondContact O-N 3.22Å; V196-L221 HydrophobicContact CG2-CD1 3.85Å |
| 197 | L | 85.4 | Confident | 76.3 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -92 | -37.6 | 169.8 | -76.1 | 159.7 | 0 | 0 | 0 | 112.3 | D123 F132 N134 L218 V285 | D123-L197 HydrophobicContact CB-CD2 4.45Å; F132-L197 HydrophobicContact CD2-CD1 3.51Å; F132-L197 HydrophobicContact CD2-CG 4.36Å; F132-L197 HydrophobicContact CE2-CD1 3.46Å; F132-L197 VanDerWaalsContact CE2-CD1 3.46Å; F132-L197 HydrophobicContact CE2-CG 3.86Å; F132-L197 HydrophobicContact CG-CD1 4.35Å; F132-L197 HydrophobicContact CZ-CD1 4.28Å; F132-L197 VanDerWaalsContact O-CD1 3.31Å; F132-L197 WeakPolarHBondContact O-CD1 3.39Å; N134-L197 PolarHBondContact O-N 3.15Å; L197-L218 HydrophobicContact CD2-CD1 3.48Å; L197-L218 VanDerWaalsContact CD2-CD1 3.48Å; L197-L218 HydrophobicContact CG-CD1 3.58Å; L197-V285 HydrophobicContact CD2-CG1 4.47Å |
| 198 | T | 78.6 | Confident | 76 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -117.1 | 172.3 | -172.8 | 98.1 | 0 | 0 | 0 | 0 | 113.3 | S100 M133 N134 V196 T200 V213 | S100-T198 WeakPolarHBondContact OG-CB 3.26Å; S100-T198 PolarHBondContact OG-OG1 3.15Å; M133-T198 WeakPolarHBondContact O-CG2 2.95Å; N134-T198 WeakPolarHBondContact OD1-CB 3.13Å; N134-T198 WeakPolarHBondContact OD1-CG2 3.27Å; N134-T198 PolarHBondContact OD1-OG1 2.88Å; V196-T198 WeakPolarHBondContact CG1-O 3.42Å; T198-T200 PolarHBondContact O-N 2.8Å; T198-T200 VanDerWaalsContact O-N 3.17Å; T198-T200 PolarHBondContact OG1-N 2.81Å; T198-V213 HydrophobicContact CG2-CG1 4.12Å |
| 199 | R | 76.1 | Confident | 75.5 | Confident | 114 Ų | 114 | 29 Ų | 29 | 43% | 0.43 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -71.2 | -3.9 | -177.4 | -138.5 | -174.7 | -162 | -151.3 | 2.5 | 114.8 | T205 V208 P209 A211 | R199-T205 CarbonylContact O-C 3.3Å; R199-T205 WeakPolarHBondContact O-CA 3.34Å; R199-V208 WeakPolarHBondContact CG-O 3.38Å; R199-P209 VanDerWaalsContact CZ-O 3.24Å; R199-P209 PolarHBondContact NE-O 2.88Å; R199-P209 PolarHBondContact NH2-O 2.7Å; R199-A211 WeakPolarHBondContact CG-O 3.42Å |
| 200 | T | 65.5 | Low | 75.4 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | trans | -120.1 | 124.7 | -166.5 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | D96 R99 S100 N134 T198 G202 F204 T205 | D96-T200 HydrophobicContact CB-CG2 4.04Å; R99-T200 HydrophobicContact CB-CG2 4.02Å; S100-T200 WeakPolarHBondContact OG-CB 3.29Å; S100-T200 PolarHBondContact OG-OG1 3.32Å; N134-T200 PolarHBondContact ND2-O 3.02Å; N134-T200 PolarHBondContact OD1-O 2.86Å; T198-T200 PolarHBondContact O-N 2.8Å; T198-T200 VanDerWaalsContact O-N 3.17Å; T198-T200 PolarHBondContact OG1-N 2.81Å; T200-G202 WeakPolarHBondContact CG2-O 3.43Å; T200-F204 WeakPolarHBondContact CA-O 3.09Å; T200-T205 HydrophobicContact CG2-CG2 4.23Å | ||
| 201 | I | 66.5 | Low | 75.1 | Confident | 35 Ų | 35 | 29.3 Ų | 29.3 | 18% | 0.179 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -122.4 | 111.1 | 168.6 | -60.7 | 167.3 | 0 | 0 | 0 | 107.2 | I135 V196 V203 F204 I207 V208 | I135-I201 HydrophobicContact CD1-CB 4.46Å; I135-I201 HydrophobicContact CD1-CG1 4.07Å; I135-I201 HydrophobicContact CD1-CG2 3.77Å; V196-I201 HydrophobicContact CG1-CD1 4.39Å; V196-I201 HydrophobicContact CG1-CG1 3.98Å; V196-I201 HydrophobicContact CG2-CD1 3.88Å; V196-I201 HydrophobicContact CG2-CG1 4.33Å; I201-V203 PolarHBondContact O-N 2.82Å; I201-F204 PolarHBondContact N-O 2.9Å; I201-F204 PolarHBondContact O-N 2.9Å; I201-I207 HydrophobicContact CB-CD1 4.28Å; I201-I207 HydrophobicContact CD1-CB 4.01Å; I201-I207 HydrophobicContact CD1-CD1 4.38Å; I201-I207 HydrophobicContact CD1-CG2 3.75Å; I201-V208 HydrophobicContact CD1-CG2 4.4Å |
| 202 | G | 63.6 | Low | 75.3 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 24% | 0.237 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | -126.9 | -167 | 0 | 0 | 0 | 0 | 0 | 110.8 | D96 T200 F204 | D96-G202 WeakPolarHBondContact OD1-CA 3.37Å; D96-G202 PolarHBondContact OD1-N 3.01Å; D96-G202 WeakPolarHBondContact OD2-CA 3.35Å; D96-G202 PolarHBondContact OD2-N 2.86Å; T200-G202 WeakPolarHBondContact CG2-O 3.43Å; G202-F204 VanDerWaalsContact C-N 3.26Å; G202-F204 PolarHBondContact O-N 3.42Å |
| 203 | V | 55.6 | Low | 75.4 | Confident | 17 Ų | 17 | 34.8 Ų | 34.8 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 13.7 | -177.4 | -126.4 | 0 | 0 | 0 | 0 | 114.6 | K158 Y161 I201 | K158-V203 HydrophobicContact CB-CB 4.35Å; K158-V203 HydrophobicContact CB-CG2 4.32Å; K158-V203 HydrophobicContact CD-CB 3.78Å; K158-V203 HydrophobicContact CD-CG1 3.94Å; K158-V203 VanDerWaalsContact CE-CG1 3.47Å; K158-V203 HydrophobicContact CG-CB 3.69Å; K158-V203 HydrophobicContact CG-CG1 3.85Å; K158-V203 HydrophobicContact CG-CG2 4.01Å; K158-V203 PolarHBondContact NZ-O 3.44Å; Y161-V203 HydrophobicContact CD2-CG2 4.15Å; Y161-V203 HydrophobicContact CE2-CG2 4.11Å; I201-V203 PolarHBondContact O-N 2.82Å |
| 204 | F | 61.9 | Low | 75.3 | Confident | 73 Ų | 73 | 37.4 Ų | 37.4 | 32% | 0.32 | 19% | 0.187 | S | C | . | . | B | Isolated β-bridge | trans | -111.5 | 109.1 | 179.5 | -59.6 | -87.4 | 0 | 0 | 0 | 112.5 | T200 I201 G202 H206 I207 | T200-F204 WeakPolarHBondContact CA-O 3.09Å; I201-F204 PolarHBondContact N-O 2.9Å; I201-F204 PolarHBondContact O-N 2.9Å; G202-F204 VanDerWaalsContact C-N 3.26Å; G202-F204 PolarHBondContact O-N 3.42Å; F204-H206 VanDerWaalsContact C-N 3.31Å; F204-H206 PolarHBondContact O-N 3.01Å; F204-I207 HydrophobicContact CB-CD1 3.66Å; F204-I207 HydrophobicContact CB-CG1 3.81Å; F204-I207 HydrophobicContact CD2-CD1 4.17Å; F204-I207 HydrophobicContact CG-CD1 3.98Å; F204-I207 HydrophobicContact CG-CG1 4.44Å |
| 205 | T | 67.1 | Low | 75.4 | Confident | 45 Ų | 45 | 38.1 Ų | 38.1 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 17.6 | -176.9 | 48.8 | 0 | 0 | 0 | 0 | 114.6 | R99 R199 T200 | R99-T205 HydrophobicContact CB-CG2 4.28Å; R199-T205 CarbonylContact O-C 3.3Å; R199-T205 WeakPolarHBondContact O-CA 3.34Å; T200-T205 HydrophobicContact CG2-CG2 4.23Å |
| 206 | H | 68.9 | Low | 75.2 | Confident | 111 Ų | 111 | 38.7 Ų | 38.7 | 51% | 0.514 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | -3.9 | -166.9 | -61 | -50.7 | 0 | 0 | 0 | 115 | F204 V208 G241 | F204-H206 VanDerWaalsContact C-N 3.31Å; F204-H206 PolarHBondContact O-N 3.01Å; H206-V208 VanDerWaalsContact C-N 3.33Å; H206-V208 PolarHBondContact O-N 3.44Å; H206-G241 WeakPolarHBondContact O-CA 3.26Å |
| 207 | I | 71.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -65.9 | -38 | -176 | -65.9 | 179.5 | 0 | 0 | 0 | 111.2 | I201 F204 P209 L221 I238 V242 | I201-I207 HydrophobicContact CB-CD1 4.28Å; I201-I207 HydrophobicContact CD1-CB 4.01Å; I201-I207 HydrophobicContact CD1-CD1 4.38Å; I201-I207 HydrophobicContact CD1-CG2 3.75Å; F204-I207 HydrophobicContact CB-CD1 3.66Å; F204-I207 HydrophobicContact CB-CG1 3.81Å; F204-I207 HydrophobicContact CD2-CD1 4.17Å; F204-I207 HydrophobicContact CG-CD1 3.98Å; F204-I207 HydrophobicContact CG-CG1 4.44Å; I207-P209 WeakPolarHBondContact O-CD 3.49Å; I207-L221 HydrophobicContact CG2-CD2 4.36Å; I207-I238 HydrophobicContact CD1-CG2 3.89Å; I207-I238 HydrophobicContact CG1-CG2 4.16Å; I207-I238 HydrophobicContact CG2-CG2 4.04Å; I207-V242 PolarHBondContact O-N 3.38Å |
| 208 | V | 78.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -117 | 84.6 | 172.7 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | V196 R199 I201 H206 E210 A211 Y219 L221 Y251 | V196-V208 HydrophobicContact CB-CG2 4.4Å; V196-V208 HydrophobicContact CG2-CG2 3.95Å; R199-V208 WeakPolarHBondContact CG-O 3.38Å; I201-V208 HydrophobicContact CD1-CG2 4.4Å; H206-V208 VanDerWaalsContact C-N 3.33Å; H206-V208 PolarHBondContact O-N 3.44Å; V208-E210 VanDerWaalsContact C-N 3.26Å; V208-E210 PolarHBondContact O-N 3.02Å; V208-A211 HydrophobicContact CB-CB 4.17Å; V208-A211 HydrophobicContact CG1-CB 3.64Å; V208-A211 PolarHBondContact O-N 3.09Å; V208-Y219 HydrophobicContact CG1-CD1 3.68Å; V208-Y219 HydrophobicContact CG1-CD2 4.24Å; V208-Y219 HydrophobicContact CG1-CE1 4.3Å; V208-Y219 HydrophobicContact CG1-CG 3.63Å; V208-L221 HydrophobicContact CG2-CD1 3.68Å; V208-L221 HydrophobicContact CG2-CD2 4.36Å; V208-Y251 HydrophobicContact CG1-CE2 4.29Å |
| 209 | P | 76.7 | Confident | 76 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 25% | 0.247 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -17.3 | -169.6 | 29.1 | -35.7 | 0 | 0 | 0 | 113.8 | R199 I207 V242 D243 | R199-P209 VanDerWaalsContact CZ-O 3.24Å; R199-P209 PolarHBondContact NE-O 2.88Å; R199-P209 PolarHBondContact NH2-O 2.7Å; I207-P209 WeakPolarHBondContact O-CD 3.49Å; P209-V242 WeakPolarHBondContact CD-O 3.44Å; P209-D243 HydrophobicContact CG-CB 4.03Å |
| 210 | E | 81 | Confident | 76.6 | Confident | 95 Ų | 95 | 36.5 Ų | 36.5 | 44% | 0.444 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -30 | 178 | -60.9 | -155.9 | 113.8 | 0 | 0 | 113.9 | V208 K212 Y219 D243 Y251 | V208-E210 VanDerWaalsContact C-N 3.26Å; V208-E210 PolarHBondContact O-N 3.02Å; E210-K212 PolarHBondContact O-NZ 3.17Å; E210-Y219 HydrophobicContact CB-CE1 4.05Å; E210-D243 HydrophobicContact CG-CB 4.38Å; E210-Y251 PolarHBondContact OE2-OH 2.91Å |
| 211 | A | 78.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | trans | -64 | 136.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R199 V208 Y219 | R199-A211 WeakPolarHBondContact CG-O 3.42Å; V208-A211 HydrophobicContact CB-CB 4.17Å; V208-A211 HydrophobicContact CG1-CB 3.64Å; V208-A211 PolarHBondContact O-N 3.09Å; A211-Y219 HydrophobicContact CB-CD2 3.66Å; A211-Y219 HydrophobicContact CB-CE2 3.51Å; A211-Y219 HydrophobicContact CB-CG 4.34Å | ||
| 212 | K | 80.5 | Confident | 78.7 | Confident | 106 Ų | 106 | 37.7 Ų | 37.7 | 46% | 0.461 | 19% | 0.193 | S | C | . | . | trans | -131.1 | 155.3 | 175.4 | -56.6 | 165.3 | -141.3 | 67.7 | 0 | 108.4 | E210 N214 D215 | E210-K212 PolarHBondContact O-NZ 3.17Å; K212-N214 PolarHBondContact O-N 2.98Å; K212-D215 HydrophobicContact CB-CB 4.36Å; K212-D215 WeakPolarHBondContact CB-OD2 3.45Å; K212-D215 HydrophobicContact CD-CB 4.41Å; K212-D215 PolarHBondContact N-OD2 3.29Å; K212-D215 IonicContact NZ-OD2 3.72Å; K212-D215 PolarHBondContact NZ-OD2 3.23Å | ||
| 213 | V | 80.8 | Confident | 79.5 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 11% | 0.109 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 4.1 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 114.9 | L101 T120 L122 D123 T198 | L101-V213 HydrophobicContact CD2-CG1 4.18Å; L101-V213 HydrophobicContact CD2-CG2 4.24Å; T120-V213 HydrophobicContact CG2-CG2 4.32Å; L122-V213 CarbonylContact C-O 3.57Å; L122-V213 WeakPolarHBondContact CA-O 3.45Å; L122-V213 HydrophobicContact CD1-CB 3.85Å; L122-V213 HydrophobicContact CD1-CG1 4.28Å; D123-V213 PolarHBondContact N-O 3.12Å; T198-V213 HydrophobicContact CG2-CG1 4.12Å |
| 214 | N | 85.3 | Confident | 80.6 | Confident | 55 Ų | 55 | 39.9 Ų | 39.9 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -157.2 | 24.1 | -169.8 | 62.6 | 11.5 | 0 | 0 | 0 | 115.6 | T120 D123 K212 Q288 | T120-N214 PolarHBondContact OG1-ND2 3.04Å; D123-N214 VanDerWaalsContact CG-CA 3.48Å; D123-N214 WeakPolarHBondContact OD2-CA 3.45Å; D123-N214 PolarHBondContact OD2-N 2.94Å; K212-N214 PolarHBondContact O-N 2.98Å; N214-Q288 PolarHBondContact O-NE2 3.15Å |
| 215 | D | 86.3 | Confident | 80.9 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 24% | 0.241 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -96.5 | -8.4 | 177.6 | 59.1 | 37.7 | 0 | 0 | 0 | 115.2 | D123 K212 Q217 Y219 | D123-D215 PolarHBondContact OD2-N 3.43Å; K212-D215 HydrophobicContact CB-CB 4.36Å; K212-D215 WeakPolarHBondContact CB-OD2 3.45Å; K212-D215 HydrophobicContact CD-CB 4.41Å; K212-D215 PolarHBondContact N-OD2 3.29Å; K212-D215 IonicContact NZ-OD2 3.72Å; K212-D215 PolarHBondContact NZ-OD2 3.23Å; D215-Q217 PolarHBondContact OD1-N 2.94Å; D215-Y219 PolarHBondContact OD2-OH 3.12Å |
| 216 | G | 85 | Confident | 80.8 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | trans | 75.1 | 27.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D123 | D123-G216 WeakPolarHBondContact OD2-CA 3.37Å; D123-G216 PolarHBondContact OD2-N 2.57Å | ||
| 217 | Q | 88.8 | Confident | 80.7 | Confident | 57 Ų | 57 | 38.7 Ų | 38.7 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | trans | -119.8 | 150.4 | 178.2 | -60.2 | -66 | -89.8 | 0 | 0 | 112 | D215 Y219 P253 | D215-Q217 PolarHBondContact OD1-N 2.94Å; Q217-Y219 HydrophobicContact CB-CD2 4.32Å; Q217-Y219 HydrophobicContact CB-CE2 3.7Å; Q217-P253 HydrophobicContact CB-CB 4.49Å | ||
| 218 | L | 88 | Confident | 80.3 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.9 | 161.9 | -145.9 | 79.6 | 0 | 0 | 0 | 108.5 | F132 M195 L197 P253 F254 F283 V285 | F132-L218 HydrophobicContact CE2-CD1 3.95Å; F132-L218 HydrophobicContact CZ-CD1 3.71Å; F132-L218 HydrophobicContact CZ-CD2 4.13Å; M195-L218 HydrophobicContact CB-CD2 3.85Å; M195-L218 HydrophobicContact CB-CG 4.45Å; M195-L218 HydrophobicContact CG-CD2 4.33Å; L197-L218 HydrophobicContact CD2-CD1 3.48Å; L197-L218 VanDerWaalsContact CD2-CD1 3.48Å; L197-L218 HydrophobicContact CG-CD1 3.58Å; L218-P253 CarbonylContact O-C 3.55Å; L218-P253 VanDerWaalsContact O-CA 3.3Å; L218-P253 WeakPolarHBondContact O-CA 3.23Å; L218-F254 HydrophobicContact CB-CD1 4.03Å; L218-F254 HydrophobicContact CB-CE1 3.79Å; L218-F254 HydrophobicContact CB-CE2 4.4Å; L218-F254 HydrophobicContact CB-CG 4.44Å; L218-F254 HydrophobicContact CB-CZ 4.03Å; L218-F254 HydrophobicContact CD2-CE1 3.82Å; L218-F254 HydrophobicContact CD2-CE2 4.12Å; L218-F254 HydrophobicContact CD2-CZ 3.43Å; L218-F254 VanDerWaalsContact CD2-CZ 3.43Å; L218-F254 HydrophobicContact CG-CE1 4.2Å; L218-F254 HydrophobicContact CG-CZ 4.25Å; L218-F254 PolarHBondContact N-O 3.08Å; L218-F254 WeakPolarHBondContact O-CD1 3.45Å; L218-F254 PolarHBondContact O-N 3.03Å; L218-F283 HydrophobicContact CD2-CB 4.37Å; L218-V285 HydrophobicContact CB-CG2 3.74Å; L218-V285 HydrophobicContact CD1-CG2 4.02Å; L218-V285 HydrophobicContact CG-CG2 4.49Å |
| 219 | Y | 90 | Very high | 79.5 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 106 | -175.7 | -68.4 | -93.7 | 0 | 0 | 0 | 110.2 | M195 V196 V208 E210 A211 D215 Q217 Y251 P253 | M195-Y219 CarbonylContact C-O 3.48Å; M195-Y219 WeakPolarHBondContact CA-O 3.34Å; V196-Y219 PolarHBondContact N-O 2.96Å; V196-Y219 PolarHBondContact O-N 3.22Å; V208-Y219 HydrophobicContact CG1-CD1 3.68Å; V208-Y219 HydrophobicContact CG1-CD2 4.24Å; V208-Y219 HydrophobicContact CG1-CE1 4.3Å; V208-Y219 HydrophobicContact CG1-CG 3.63Å; E210-Y219 HydrophobicContact CB-CE1 4.05Å; A211-Y219 HydrophobicContact CB-CD2 3.66Å; A211-Y219 HydrophobicContact CB-CE2 3.51Å; A211-Y219 HydrophobicContact CB-CG 4.34Å; D215-Y219 PolarHBondContact OD2-OH 3.12Å; Q217-Y219 HydrophobicContact CB-CD2 4.32Å; Q217-Y219 HydrophobicContact CB-CE2 3.7Å; Y219-Y251 AromaticContact CD1-CE2 3.88Å; Y219-Y251 HydrophobicContact CD1-CE2 3.88Å; Y219-Y251 AromaticContact CD1-CZ 3.83Å; Y219-Y251 WeakPolarHBondContact CD1-OH 3.46Å; Y219-Y251 WeakPolarHBondContact CE1-OH 3.25Å; Y219-P253 HydrophobicContact CD1-CB 4.08Å; Y219-P253 HydrophobicContact CE1-CB 3.99Å |
| 220 | L | 89.6 | Confident | 79 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 132.7 | 174 | -179.6 | 67.5 | 0 | 0 | 0 | 110.7 | L179 I181 V193 V194 M195 Y222 Y251 T252 F254 | L179-L220 HydrophobicContact CD1-CD1 4.09Å; L179-L220 HydrophobicContact CD1-CD2 3.85Å; L179-L220 HydrophobicContact CD2-CD2 4.25Å; I181-L220 HydrophobicContact CD1-CD2 3.61Å; V193-L220 HydrophobicContact CG1-CD1 3.7Å; V194-L220 CarbonylContact O-C 3.6Å; M195-L220 HydrophobicContact CG-CD1 3.56Å; M195-L220 HydrophobicContact SD-CD1 4.16Å; L220-Y222 HydrophobicContact CD2-CD1 4.11Å; L220-Y222 HydrophobicContact CD2-CE1 4.29Å; L220-Y222 HydrophobicContact CG-CD1 4.19Å; L220-Y251 CarbonylContact O-C 3.59Å; L220-Y251 VanDerWaalsContact O-CA 3.29Å; L220-Y251 WeakPolarHBondContact O-CA 3.49Å; L220-T252 VanDerWaalsContact CB-O 3.31Å; L220-T252 WeakPolarHBondContact CB-O 3.37Å; L220-T252 PolarHBondContact N-O 3.36Å; L220-T252 PolarHBondContact O-N 2.68Å; L220-F254 HydrophobicContact CB-CD1 4.09Å; L220-F254 HydrophobicContact CB-CE1 3.81Å |
| 221 | L | 87.7 | Confident | 78.3 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.8 | 167.7 | -62.7 | 92.4 | 0 | 0 | 0 | 109.9 | V194 V196 I207 V208 V242 G250 Y251 | V194-L221 PolarHBondContact N-O 3.36Å; V194-L221 PolarHBondContact O-N 3.06Å; V196-L221 HydrophobicContact CG2-CD1 3.85Å; I207-L221 HydrophobicContact CG2-CD2 4.36Å; V208-L221 HydrophobicContact CG2-CD1 3.68Å; V208-L221 HydrophobicContact CG2-CD2 4.36Å; L221-V242 HydrophobicContact CD2-CB 3.92Å; L221-V242 HydrophobicContact CD2-CG1 4.15Å; L221-V242 HydrophobicContact CD2-CG2 4.09Å; L221-G250 VanDerWaalsContact CA-O 3.32Å; L221-G250 WeakPolarHBondContact CA-O 3.28Å; L221-Y251 HydrophobicContact CG-CD2 4.37Å |
| 222 | Y | 87.4 | Confident | 77.7 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 18% | 0.18 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.9 | 172.2 | 61 | -91.2 | 0 | 0 | 0 | 111 | I188 L220 K224 G250 | I188-Y222 HydrophobicContact CB-CD2 4.36Å; I188-Y222 HydrophobicContact CB-CE2 4.31Å; I188-Y222 HydrophobicContact CD1-CD1 4.06Å; I188-Y222 HydrophobicContact CD1-CD2 4.01Å; I188-Y222 HydrophobicContact CD1-CG 3.76Å; I188-Y222 HydrophobicContact CG2-CD2 4.31Å; I188-Y222 HydrophobicContact CG2-CE1 4.43Å; I188-Y222 HydrophobicContact CG2-CE2 3.85Å; L220-Y222 HydrophobicContact CD2-CD1 4.11Å; L220-Y222 HydrophobicContact CD2-CE1 4.29Å; L220-Y222 HydrophobicContact CG-CD1 4.19Å; Y222-K224 HydrophobicContact CD2-CG 4.39Å; Y222-K224 HydrophobicContact CE2-CG 4.07Å; Y222-G250 PolarHBondContact N-O 3.11Å; Y222-G250 VanDerWaalsContact N-O 3.12Å; Y222-G250 PolarHBondContact O-N 3.48Å |
| 223 | L | 81.3 | Confident | 77.1 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 153.3 | 176.5 | -64.9 | 179.6 | 0 | 0 | 0 | 111.2 | I141 S190 D225 I238 I249 | I141-L223 HydrophobicContact CD1-CD1 3.74Å; S190-L223 WeakPolarHBondContact CB-O 3.47Å; S190-L223 PolarHBondContact OG-N 3.15Å; S190-L223 VanDerWaalsContact OG-N 3.14Å; S190-L223 PolarHBondContact OG-O 2.95Å; L223-D225 HydrophobicContact CB-CB 4.38Å; L223-D225 VanDerWaalsContact CB-OD1 3.27Å; L223-D225 WeakPolarHBondContact CB-OD1 3.47Å; L223-I238 HydrophobicContact CD2-CD1 4.3Å; L223-I249 HydrophobicContact CD2-CG1 4.44Å |
| 224 | K | 79 | Confident | 76.5 | Confident | 72 Ų | 72 | 46 Ų | 46 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | trans | -117.7 | 50.9 | 176.7 | -65 | 170.5 | 174.9 | 158.7 | 0 | 109.8 | Y222 Q226 S246 E247 N248 I249 | Y222-K224 HydrophobicContact CD2-CG 4.39Å; Y222-K224 HydrophobicContact CE2-CG 4.07Å; K224-Q226 PolarHBondContact O-N 3.02Å; K224-S246 PolarHBondContact NZ-O 3.25Å; K224-E247 VanDerWaalsContact CD-O 3.26Å; K224-E247 WeakPolarHBondContact CD-O 3.42Å; K224-N248 PolarHBondContact N-O 2.98Å; K224-I249 WeakPolarHBondContact CE-O 3.33Å; K224-I249 PolarHBondContact NZ-O 3.43Å | ||
| 225 | D | 67.4 | Low | 75.6 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | trans | -99.9 | 86.6 | -161.3 | 58.4 | -48.9 | 0 | 0 | 0 | 114 | N174 S191 L223 S227 R231 | N174-D225 PolarHBondContact ND2-O 2.74Å; S191-D225 WeakPolarHBondContact CB-OD2 3.45Å; S191-D225 PolarHBondContact N-OD1 2.79Å; S191-D225 PolarHBondContact OG-OD1 3.41Å; S191-D225 PolarHBondContact OG-OD2 3.46Å; L223-D225 HydrophobicContact CB-CB 4.38Å; L223-D225 VanDerWaalsContact CB-OD1 3.27Å; L223-D225 WeakPolarHBondContact CB-OD1 3.47Å; D225-S227 VanDerWaalsContact C-N 3.26Å; D225-S227 PolarHBondContact O-N 2.81Å; D225-R231 HydrophobicContact CB-CG 3.56Å; D225-R231 WeakPolarHBondContact OD2-CG 3.4Å; D225-R231 IonicContact OD2-CZ 3.16Å; D225-R231 IonicContact OD2-NE 2.75Å; D225-R231 PolarHBondContact OD2-NE 3.2Å; D225-R231 IonicContact OD2-NH2 2.71Å | ||
| 226 | Q | 65.5 | Low | 74.6 | Confident | 162 Ų | 162 | 45.7 Ų | 45.7 | 76% | 0.757 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -78 | -6.5 | 170.8 | -66.7 | -166.1 | -22 | 0 | 0 | 113.9 | K224 | K224-Q226 PolarHBondContact O-N 3.02Š|
| 227 | S | 66.4 | Low | 73.8 | Confident | 39 Ų | 39 | 47 Ų | 47 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -155 | 159.4 | 176.1 | 80.3 | 0 | 0 | 0 | 0 | 113.4 | D225 T229 D230 R231 | D225-S227 VanDerWaalsContact C-N 3.26Å; D225-S227 PolarHBondContact O-N 2.81Å; S227-T229 PolarHBondContact O-N 2.73Å; S227-T229 PolarHBondContact OG-N 3.23Å; S227-T229 PolarHBondContact OG-OG1 3.29Å; S227-D230 WeakPolarHBondContact CB-OD2 3.33Å; S227-D230 PolarHBondContact N-OD2 2.9Å; S227-D230 WeakPolarHBondContact O-CA 3.38Å; S227-D230 WeakPolarHBondContact O-CB 3.34Å; S227-D230 PolarHBondContact O-N 2.77Å; S227-D230 VanDerWaalsContact OG-CG 3.23Å; S227-D230 PolarHBondContact OG-N 2.91Å; S227-D230 PolarHBondContact OG-OD2 2.81Å; S227-R231 PolarHBondContact O-N 3.1Å |
| 228 | I | 62 | Low | 72.9 | Confident | 89 Ų | 89 | 46.8 Ų | 46.8 | 46% | 0.456 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55 | -35.7 | 171.2 | -58.4 | 170.5 | 0 | 0 | 0 | 111 | F170 D230 R231 L232 | F170-I228 HydrophobicContact CD1-CG2 4.23Å; F170-I228 HydrophobicContact CE1-CG2 4.32Å; I228-D230 PolarHBondContact O-N 3.37Å; I228-R231 PolarHBondContact O-N 3.45Å; I228-L232 HydrophobicContact CG2-CD1 4.27Å; I228-L232 WeakPolarHBondContact O-CG 3.3Å; I228-L232 PolarHBondContact O-N 2.91Å |
| 229 | T | 62.3 | Low | 71.8 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 59% | 0.589 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.3 | -19.2 | 174.4 | 22.1 | 0 | 0 | 0 | 0 | 114.2 | S227 K233 | S227-T229 PolarHBondContact O-N 2.73Å; S227-T229 PolarHBondContact OG-N 3.23Å; S227-T229 PolarHBondContact OG-OG1 3.29Å; T229-K233 WeakPolarHBondContact O-CD 3.32Å; T229-K233 VanDerWaalsContact O-CE 3.23Å; T229-K233 WeakPolarHBondContact O-CE 3.4Å; T229-K233 VanDerWaalsContact O-CG 3.31Å; T229-K233 WeakPolarHBondContact O-CG 3.46Å |
| 230 | D | 65.7 | Low | 70.7 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 19% | 0.193 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -94.3 | -36.7 | 176.1 | -54.2 | -48.6 | 0 | 0 | 0 | 111.3 | S227 I228 L232 K233 S234 | S227-D230 WeakPolarHBondContact CB-OD2 3.33Å; S227-D230 PolarHBondContact N-OD2 2.9Å; S227-D230 WeakPolarHBondContact O-CA 3.38Å; S227-D230 WeakPolarHBondContact O-CB 3.34Å; S227-D230 PolarHBondContact O-N 2.77Å; S227-D230 VanDerWaalsContact OG-CG 3.23Å; S227-D230 PolarHBondContact OG-N 2.91Å; S227-D230 PolarHBondContact OG-OD2 2.81Å; I228-D230 PolarHBondContact O-N 3.37Å; D230-L232 VanDerWaalsContact C-N 3.25Å; D230-L232 PolarHBondContact O-N 3.13Å; D230-K233 WeakPolarHBondContact O-CB 3.22Å; D230-K233 PolarHBondContact O-N 2.79Å; D230-K233 IonicContact OD1-NZ 2.63Å; D230-K233 PolarHBondContact OD1-NZ 2.92Å; D230-S234 PolarHBondContact O-N 3.03Å |
| 231 | R | 67.3 | Low | 69.8 | Low | 18 Ų | 18 | 58.5 Ų | 58.5 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.6 | -42.5 | 166.6 | -62.6 | -174.2 | -175.2 | 164.2 | 2.8 | 111.9 | V169 D172 N174 D225 S227 I228 K233 S234 | V169-R231 HydrophobicContact CG1-CB 3.95Å; V169-R231 VanDerWaalsContact O-CD 3.27Å; V169-R231 WeakPolarHBondContact O-CD 3.48Å; V169-R231 PolarHBondContact O-NH1 3.1Å; D172-R231 VanDerWaalsContact O-CZ 3.3Å; D172-R231 PolarHBondContact O-NH1 3.18Å; D172-R231 PolarHBondContact O-NH2 2.99Å; N174-R231 PolarHBondContact OD1-NH2 2.77Å; D225-R231 HydrophobicContact CB-CG 3.56Å; D225-R231 WeakPolarHBondContact OD2-CG 3.4Å; D225-R231 IonicContact OD2-CZ 3.16Å; D225-R231 IonicContact OD2-NE 2.75Å; D225-R231 PolarHBondContact OD2-NE 3.2Å; D225-R231 IonicContact OD2-NH2 2.71Å; S227-R231 PolarHBondContact O-N 3.1Å; I228-R231 PolarHBondContact O-N 3.45Å; R231-K233 PolarHBondContact O-N 3.35Å; R231-S234 PolarHBondContact O-N 2.9Å; R231-S234 PolarHBondContact O-OG 3.23Å |
| 232 | L | 65.3 | Low | 69.2 | Low | 86 Ų | 86 | 58 Ų | 58 | 45% | 0.45 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.5 | -15.5 | 177.3 | -72.4 | 169.5 | 0 | 0 | 0 | 114.1 | F170 I228 D230 P236 | F170-L232 HydrophobicContact CE1-CD1 4.38Å; F170-L232 HydrophobicContact CE1-CD2 4.44Å; F170-L232 HydrophobicContact CZ-CD2 4.11Å; I228-L232 HydrophobicContact CG2-CD1 4.27Å; I228-L232 WeakPolarHBondContact O-CG 3.3Å; I228-L232 PolarHBondContact O-N 2.91Å; D230-L232 VanDerWaalsContact C-N 3.25Å; D230-L232 PolarHBondContact O-N 3.13Å; L232-P236 WeakPolarHBondContact O-CD 3.45Å |
| 233 | K | 68.5 | Low | 68.7 | Low | 101 Ų | 101 | 59.2 Ų | 59.2 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -87.9 | -28.7 | 174.5 | -66.6 | 166.6 | -164.3 | 163.9 | 0 | 113.1 | T229 D230 R231 P236 | T229-K233 WeakPolarHBondContact O-CD 3.32Å; T229-K233 VanDerWaalsContact O-CE 3.23Å; T229-K233 WeakPolarHBondContact O-CE 3.4Å; T229-K233 VanDerWaalsContact O-CG 3.31Å; T229-K233 WeakPolarHBondContact O-CG 3.46Å; D230-K233 WeakPolarHBondContact O-CB 3.22Å; D230-K233 PolarHBondContact O-N 2.79Å; D230-K233 IonicContact OD1-NZ 2.63Å; D230-K233 PolarHBondContact OD1-NZ 2.92Å; R231-K233 PolarHBondContact O-N 3.35Å; K233-P236 WeakPolarHBondContact O-CD 3.4Å |
| 234 | S | 68.8 | Low | 68.8 | Low | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.028 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.8 | -33.5 | 178.8 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | D230 R231 D237 I238 | D230-S234 PolarHBondContact O-N 3.03Å; R231-S234 PolarHBondContact O-N 2.9Å; R231-S234 PolarHBondContact O-OG 3.23Å; S234-D237 WeakPolarHBondContact O-CA 3.38Å; S234-D237 PolarHBondContact O-N 3.23Å; S234-I238 WeakPolarHBondContact O-CG1 3.25Å; S234-I238 PolarHBondContact O-N 3.08Å |
| 235 | V | 66.3 | Low | 68.9 | Low | 33 Ų | 33 | 64.2 Ų | 64.2 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.7 | -49.2 | -179.4 | 173.8 | 0 | 0 | 0 | 0 | 113.1 | F162 D237 I238 I239 | F162-V235 HydrophobicContact CE2-CG1 4Å; F162-V235 HydrophobicContact CZ-CG1 4.33Å; V235-D237 PolarHBondContact O-N 2.92Å; V235-I238 PolarHBondContact O-N 3Å; V235-I239 HydrophobicContact CG1-CD1 3.8Å; V235-I239 WeakPolarHBondContact O-CD1 3.43Å; V235-I239 VanDerWaalsContact O-CG1 3.25Å; V235-I239 WeakPolarHBondContact O-CG1 3.28Å; V235-I239 PolarHBondContact O-N 3.27Å; V235-I239 VanDerWaalsContact O-N 3.12Å |
| 236 | P | 64.6 | Low | 69.5 | Low | 62 Ų | 62 | 65.9 Ų | 65.9 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.2 | -26.9 | 172.2 | -27.7 | 34.8 | 0 | 0 | 0 | 115.7 | L232 K233 K240 | L232-P236 WeakPolarHBondContact O-CD 3.45Å; K233-P236 WeakPolarHBondContact O-CD 3.4Å; P236-K240 WeakPolarHBondContact O-CD 3.47Å; P236-K240 WeakPolarHBondContact O-CE 3.39Å; P236-K240 VanDerWaalsContact O-CG 3.26Å; P236-K240 WeakPolarHBondContact O-CG 3.47Å; P236-K240 PolarHBondContact O-N 2.83Å |
| 237 | D | 68.4 | Low | 70.1 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 21% | 0.214 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -83.4 | -42.3 | -179.5 | -69 | -16.8 | 0 | 0 | 0 | 111 | S234 V235 I239 K240 G241 I249 | S234-D237 WeakPolarHBondContact O-CA 3.38Å; S234-D237 PolarHBondContact O-N 3.23Å; V235-D237 PolarHBondContact O-N 2.92Å; D237-I239 PolarHBondContact O-N 2.88Å; D237-K240 PolarHBondContact O-N 2.75Å; D237-K240 VanDerWaalsContact O-N 3.1Å; D237-K240 IonicContact OD1-NZ 3.83Å; D237-K240 PolarHBondContact OD1-NZ 2.93Å; D237-G241 PolarHBondContact O-N 3.17Å; D237-I249 HydrophobicContact CB-CD1 3.69Å |
| 238 | I | 69.7 | Low | 70.7 | Confident | 52 Ų | 52 | 66 Ų | 66 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.4 | -41.9 | 170.8 | -64.3 | 172.1 | 0 | 0 | 0 | 110.7 | I207 L223 S234 V235 K240 G241 I249 | I207-I238 HydrophobicContact CD1-CG2 3.89Å; I207-I238 HydrophobicContact CG1-CG2 4.16Å; I207-I238 HydrophobicContact CG2-CG2 4.04Å; L223-I238 HydrophobicContact CD2-CD1 4.3Å; S234-I238 WeakPolarHBondContact O-CG1 3.25Å; S234-I238 PolarHBondContact O-N 3.08Å; V235-I238 PolarHBondContact O-N 3Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.02Å; I238-G241 PolarHBondContact O-N 2.76Å; I238-I249 HydrophobicContact CG1-CD1 3.7Å |
| 239 | I | 65.4 | Low | 71.6 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.1 | -29.6 | 179.6 | -69.8 | 168 | 0 | 0 | 0 | 113 | F162 V235 D237 | F162-I239 HydrophobicContact CE2-CD1 4.02Å; V235-I239 HydrophobicContact CG1-CD1 3.8Å; V235-I239 WeakPolarHBondContact O-CD1 3.43Å; V235-I239 VanDerWaalsContact O-CG1 3.25Å; V235-I239 WeakPolarHBondContact O-CG1 3.28Å; V235-I239 PolarHBondContact O-N 3.27Å; V235-I239 VanDerWaalsContact O-N 3.12Å; D237-I239 PolarHBondContact O-N 2.88Å |
| 240 | K | 66.4 | Low | 72.7 | Confident | 148 Ų | 148 | 57.3 Ų | 57.3 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -76.6 | -25.2 | 175.5 | -67.8 | 161.5 | -157.2 | 156.3 | 0 | 112.6 | P236 D237 I238 | P236-K240 WeakPolarHBondContact O-CD 3.47Å; P236-K240 WeakPolarHBondContact O-CE 3.39Å; P236-K240 VanDerWaalsContact O-CG 3.26Å; P236-K240 WeakPolarHBondContact O-CG 3.47Å; P236-K240 PolarHBondContact O-N 2.83Å; D237-K240 PolarHBondContact O-N 2.75Å; D237-K240 VanDerWaalsContact O-N 3.1Å; D237-K240 IonicContact OD1-NZ 3.83Å; D237-K240 PolarHBondContact OD1-NZ 2.93Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.02Å |
| 241 | G | 70.2 | Confident | 73.8 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | trans | 100.4 | 139.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H206 D237 I238 | H206-G241 WeakPolarHBondContact O-CA 3.26Å; D237-G241 PolarHBondContact O-N 3.17Å; I238-G241 PolarHBondContact O-N 2.76Å | ||
| 242 | V | 76.2 | Confident | 74.8 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | trans | -110 | 99.1 | -178 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | I207 P209 L221 Q244 I249 Y251 | I207-V242 PolarHBondContact O-N 3.38Å; P209-V242 WeakPolarHBondContact CD-O 3.44Å; L221-V242 HydrophobicContact CD2-CB 3.92Å; L221-V242 HydrophobicContact CD2-CG1 4.15Å; L221-V242 HydrophobicContact CD2-CG2 4.09Å; V242-Q244 WeakPolarHBondContact CG1-O 3.38Å; V242-I249 HydrophobicContact CG1-CG2 3.98Å; V242-I249 HydrophobicContact CG2-CD1 3.96Å; V242-I249 HydrophobicContact CG2-CG2 4.39Å; V242-Y251 HydrophobicContact CG1-CD2 3.81Å; V242-Y251 HydrophobicContact CG1-CG 4.06Å; V242-Y251 VanDerWaalsContact O-CE2 3.23Å; V242-Y251 WeakPolarHBondContact O-CE2 3.19Å | ||
| 243 | D | 77.2 | Confident | 75.9 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -95.5 | -17.5 | 172 | 67.4 | -36.5 | 0 | 0 | 0 | 112.5 | P209 E210 Y251 | P209-D243 HydrophobicContact CG-CB 4.03Å; E210-D243 HydrophobicContact CG-CB 4.38Å; D243-Y251 VanDerWaalsContact C-CE1 3.49Å; D243-Y251 WeakPolarHBondContact O-CE1 3.29Å |
| 244 | Q | 81.9 | Confident | 77 | Confident | 132 Ų | 132 | 51.8 Ų | 51.8 | 62% | 0.617 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -148.5 | 154.4 | -171.9 | -69.6 | 170.8 | 76 | 0 | 0 | 110.2 | V242 | V242-Q244 WeakPolarHBondContact CG1-O 3.38Š|
| 245 | A | 81.3 | Confident | 78 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | trans | -72.7 | 132 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 246 | S | 80.5 | Confident | 79.2 | Confident | 38 Ų | 38 | 57.4 Ų | 57.4 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | trans | -105.4 | -175.6 | 179.1 | 81 | 0 | 0 | 0 | 0 | 112.3 | K224 N248 I249 | K224-S246 PolarHBondContact NZ-O 3.25Å; S246-N248 VanDerWaalsContact C-N 3.28Å; S246-N248 PolarHBondContact OG-N 3.42Å; S246-I249 PolarHBondContact N-O 2.9Å; S246-I249 VanDerWaalsContact O-O 3.08Å; S246-I249 PolarHBondContact OG-N 3.4Å; S246-I249 VanDerWaalsContact OG-N 3.11Å | ||
| 247 | E | 78.1 | Confident | 80.3 | Confident | 178 Ų | 178 | 55.1 Ų | 55.1 | 83% | 0.832 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -63 | -35.7 | 169.9 | -67.5 | -172.7 | 140.7 | 0 | 0 | 111.8 | K224 | K224-E247 VanDerWaalsContact CD-O 3.26Å; K224-E247 WeakPolarHBondContact CD-O 3.42Å |
| 248 | N | 78.2 | Confident | 81.5 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -97.8 | -14.6 | -173.7 | -44.3 | -66.1 | 0 | 0 | 0 | 113.8 | K224 S246 | K224-N248 PolarHBondContact N-O 2.98Å; S246-N248 VanDerWaalsContact C-N 3.28Å; S246-N248 PolarHBondContact OG-N 3.42Å |
| 249 | I | 82 | Confident | 82.4 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.6 | -172.4 | -59 | 172.9 | 0 | 0 | 0 | 110.5 | L223 K224 D237 I238 V242 S246 | L223-I249 HydrophobicContact CD2-CG1 4.44Å; K224-I249 WeakPolarHBondContact CE-O 3.33Å; K224-I249 PolarHBondContact NZ-O 3.43Å; D237-I249 HydrophobicContact CB-CD1 3.69Å; I238-I249 HydrophobicContact CG1-CD1 3.7Å; V242-I249 HydrophobicContact CG1-CG2 3.98Å; V242-I249 HydrophobicContact CG2-CD1 3.96Å; V242-I249 HydrophobicContact CG2-CG2 4.39Å; S246-I249 PolarHBondContact N-O 2.9Å; S246-I249 VanDerWaalsContact O-O 3.08Å; S246-I249 PolarHBondContact OG-N 3.4Å; S246-I249 VanDerWaalsContact OG-N 3.11Å |
| 250 | G | 85.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 139.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L221 Y222 | L221-G250 VanDerWaalsContact CA-O 3.32Å; L221-G250 WeakPolarHBondContact CA-O 3.28Å; Y222-G250 PolarHBondContact N-O 3.11Å; Y222-G250 VanDerWaalsContact N-O 3.12Å; Y222-G250 PolarHBondContact O-N 3.48Å |
| 251 | Y | 88.3 | Confident | 84.6 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 130.9 | 176.8 | 172.2 | -97.4 | 0 | 0 | 0 | 108.9 | V208 E210 Y219 L220 L221 V242 D243 | V208-Y251 HydrophobicContact CG1-CE2 4.29Å; E210-Y251 PolarHBondContact OE2-OH 2.91Å; Y219-Y251 AromaticContact CD1-CE2 3.88Å; Y219-Y251 HydrophobicContact CD1-CE2 3.88Å; Y219-Y251 AromaticContact CD1-CZ 3.83Å; Y219-Y251 WeakPolarHBondContact CD1-OH 3.46Å; Y219-Y251 WeakPolarHBondContact CE1-OH 3.25Å; L220-Y251 CarbonylContact O-C 3.59Å; L220-Y251 VanDerWaalsContact O-CA 3.29Å; L220-Y251 WeakPolarHBondContact O-CA 3.49Å; L221-Y251 HydrophobicContact CG-CD2 4.37Å; V242-Y251 HydrophobicContact CG1-CD2 3.81Å; V242-Y251 HydrophobicContact CG1-CG 4.06Å; V242-Y251 VanDerWaalsContact O-CE2 3.23Å; V242-Y251 WeakPolarHBondContact O-CE2 3.19Å; D243-Y251 VanDerWaalsContact C-CE1 3.49Å; D243-Y251 WeakPolarHBondContact O-CE1 3.29Å |
| 252 | T | 88.7 | Confident | 85.1 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 116 | 178.8 | -56.9 | 0 | 0 | 0 | 0 | 111 | I181 L220 | I181-T252 HydrophobicContact CD1-CG2 4.24Å; L220-T252 VanDerWaalsContact CB-O 3.31Å; L220-T252 WeakPolarHBondContact CB-O 3.37Å; L220-T252 PolarHBondContact N-O 3.36Å; L220-T252 PolarHBondContact O-N 2.68Å |
| 253 | P | 89.2 | Confident | 84.9 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 141.6 | 165.9 | 31.9 | -33 | 0 | 0 | 0 | 110.6 | Q217 L218 Y219 | Q217-P253 HydrophobicContact CB-CB 4.49Å; L218-P253 CarbonylContact O-C 3.55Å; L218-P253 VanDerWaalsContact O-CA 3.3Å; L218-P253 WeakPolarHBondContact O-CA 3.23Å; Y219-P253 HydrophobicContact CD1-CB 4.08Å; Y219-P253 HydrophobicContact CE1-CB 3.99Å |
| 254 | F | 90.9 | Very high | 84.5 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 172.9 | -176.9 | 73.5 | -80.8 | 0 | 0 | 0 | 113.8 | I181 D182 M195 L218 L220 F283 | I181-F254 HydrophobicContact CG2-CB 3.25Å; I181-F254 HydrophobicContact CG2-CD1 4.49Å; I181-F254 HydrophobicContact CG2-CD2 3.91Å; I181-F254 HydrophobicContact CG2-CG 3.69Å; D182-F254 WeakPolarHBondContact OD2-CA 3.44Å; D182-F254 WeakPolarHBondContact OD2-CB 3.5Å; M195-F254 HydrophobicContact CG-CE1 4.26Å; M195-F254 HydrophobicContact CG-CZ 4.31Å; M195-F254 HydrophobicContact SD-CZ 4.17Å; L218-F254 HydrophobicContact CB-CD1 4.03Å; L218-F254 HydrophobicContact CB-CE1 3.79Å; L218-F254 HydrophobicContact CB-CE2 4.4Å; L218-F254 HydrophobicContact CB-CG 4.44Å; L218-F254 HydrophobicContact CB-CZ 4.03Å; L218-F254 HydrophobicContact CD2-CE1 3.82Å; L218-F254 HydrophobicContact CD2-CE2 4.12Å; L218-F254 HydrophobicContact CD2-CZ 3.43Å; L218-F254 VanDerWaalsContact CD2-CZ 3.43Å; L218-F254 HydrophobicContact CG-CE1 4.2Å; L218-F254 HydrophobicContact CG-CZ 4.25Å; L218-F254 PolarHBondContact N-O 3.08Å; L218-F254 WeakPolarHBondContact O-CD1 3.45Å; L218-F254 PolarHBondContact O-N 3.03Å; L220-F254 HydrophobicContact CB-CD1 4.09Å; L220-F254 HydrophobicContact CB-CE1 3.81Å; F254-F283 HydrophobicContact CE2-CB 4.23Å; F254-F283 HydrophobicContact CZ-CB 4.5Å |
| 255 | T | 88.7 | Confident | 83.7 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -116.3 | -37.3 | -178.5 | 65.1 | 0 | 0 | 0 | 0 | 115.3 | D182 V285 | D182-T255 PolarHBondContact OD1-N 3.04Å; D182-T255 VanDerWaalsContact OD1-N 3.15Å; D182-T255 PolarHBondContact OD1-OG1 3.38Å; D182-T255 PolarHBondContact OD2-N 3.02Å; D182-T255 VanDerWaalsContact OD2-N 3.17Å; T255-V285 PolarHBondContact O-N 2.96Å |
| 256 | E | 91.5 | Very high | 83 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 151 | 170.5 | 63.8 | -179.5 | -150.8 | 0 | 0 | 111.7 | D182 F283 K284 | D182-E256 PolarHBondContact N-O 3.35Å; D182-E256 PolarHBondContact OD1-N 3.21Å; E256-F283 WeakPolarHBondContact CA-O 3.24Å; E256-K284 HydrophobicContact CB-CG 4.35Å; E256-K284 IonicContact OE2-NZ 2.7Å; E256-K284 PolarHBondContact OE2-NZ 3.22Å |
| 257 | G | 89.6 | Confident | 82.7 | Confident | 13 Ų | 13 | 62 Ų | 62 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | -177 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E180 F283 | E180-G257 CarbonylContact O-C 3.6Å; E180-G257 WeakPolarHBondContact O-CA 3.37Å; G257-F283 PolarHBondContact N-O 3.37Å; G257-F283 PolarHBondContact O-N 3.13Å |
| 258 | R | 91.6 | Very high | 82.5 | Confident | 115 Ų | 115 | 58 Ų | 58 | 43% | 0.434 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 138.9 | -177.3 | -154.5 | -179.2 | -167 | 177.9 | 2.7 | 111.7 | L179 E180 L281 | L179-R258 WeakPolarHBondContact CA-O 3.29Å; E180-R258 HydrophobicContact CB-CB 4.17Å; E180-R258 PolarHBondContact N-O 2.66Å; E180-R258 PolarHBondContact O-N 3.2Å; R258-L281 CarbonylContact C-O 3.54Å; R258-L281 WeakPolarHBondContact CA-O 3.08Å; R258-L281 WeakPolarHBondContact CG-O 3.43Å |
| 259 | L | 90.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.5 | 176.6 | -178.6 | 68.2 | 0 | 0 | 0 | 110.1 | V138 F177 L179 V193 M195 L279 P280 L281 F283 | V138-L259 HydrophobicContact CB-CD2 4.24Å; V138-L259 HydrophobicContact CG1-CD2 4.41Å; V138-L259 HydrophobicContact CG2-CD2 3.87Å; F177-L259 HydrophobicContact CB-CD1 3.81Å; F177-L259 HydrophobicContact CD1-CD1 3.78Å; F177-L259 HydrophobicContact CD1-CD2 4.46Å; F177-L259 HydrophobicContact CD1-CG 4.27Å; F177-L259 HydrophobicContact CG-CD1 4.03Å; L179-L259 HydrophobicContact CD1-CD1 3.77Å; L179-L259 HydrophobicContact CG-CD1 3.74Å; V193-L259 HydrophobicContact CG1-CD2 4.43Å; M195-L259 HydrophobicContact CE-CD2 4.43Å; L259-L279 HydrophobicContact CB-CD2 4.33Å; L259-L279 HydrophobicContact CD2-CD2 4Å; L259-L279 HydrophobicContact CG-CD2 3.92Å; L259-P280 WeakPolarHBondContact O-CA 2.97Å; L259-L281 HydrophobicContact CB-CB 4.45Å; L259-L281 HydrophobicContact CD2-CD1 4.43Å; L259-L281 PolarHBondContact N-O 2.83Å; L259-L281 PolarHBondContact O-N 3.06Å; L259-L281 VanDerWaalsContact O-N 3.16Å; L259-F283 HydrophobicContact CB-CE2 3.62Å; L259-F283 HydrophobicContact CB-CZ 3.99Å |
| 260 | T | 89.8 | Confident | 82.4 | Confident | 54 Ų | 54 | 58 Ų | 58 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 141 | 176.1 | 31.6 | 0 | 0 | 0 | 0 | 108.9 | F177 T178 P280 | F177-T260 CarbonylContact C-O 3.55Å; F177-T260 WeakPolarHBondContact CA-O 3.18Å; T178-T260 WeakPolarHBondContact CB-OG1 3.33Å; T178-T260 PolarHBondContact N-O 2.82Å; T178-T260 PolarHBondContact O-N 2.93Å; T178-T260 PolarHBondContact O-OG1 3.16Å; T260-P280 HydrophobicContact CG2-CB 3.72Å |
| 261 | V | 86.9 | Confident | 82.2 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 156.7 | 167.5 | 68.7 | 0 | 0 | 0 | 0 | 109.7 | F177 E263 L267 L279 | F177-V261 HydrophobicContact CD1-CB 4.21Å; F177-V261 HydrophobicContact CD1-CG2 4.37Å; F177-V261 HydrophobicContact CE1-CB 4.34Å; F177-V261 HydrophobicContact CE1-CG2 4.33Å; V261-E263 WeakPolarHBondContact CG2-OE2 2.98Å; V261-L267 HydrophobicContact CG2-CD1 4.07Å; V261-L279 HydrophobicContact CB-CD1 4.11Å; V261-L279 HydrophobicContact CG1-CD1 3.81Å |
| 262 | K | 81.9 | Confident | 81.5 | Confident | 156 Ų | 156 | 58.2 Ų | 58.2 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -103.2 | -29.2 | -174.9 | -173.9 | -174.9 | 171.9 | -163.1 | 0 | 112.8 | H176 | H176-K262 HydrophobicContact CB-CB 3.92Å; H176-K262 HydrophobicContact CB-CD 3.98Å; H176-K262 VanDerWaalsContact O-CB 3.31Å; H176-K262 WeakPolarHBondContact O-CB 3.45Å; H176-K262 PolarHBondContact O-N 2.74Å; H176-K262 VanDerWaalsContact O-N 3.11Å |
| 263 | E | 71.6 | Confident | 80.4 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -76.5 | 159.3 | 171.7 | -60.3 | 82.4 | 176.1 | 0 | 0 | 111.7 | H176 V261 V265 | H176-E263 WeakPolarHBondContact CB-OE1 3.48Å; H176-E263 IonicContact CE1-OE1 2.8Å; H176-E263 IonicContact CG-OE1 3.74Å; H176-E263 PolarHBondContact N-OE1 2.98Å; H176-E263 VanDerWaalsContact N-OE1 3.16Å; H176-E263 PolarHBondContact N-OE2 3.08Å; H176-E263 VanDerWaalsContact N-OE2 3.09Å; H176-E263 IonicContact ND1-OE1 3.37Å; H176-E263 PolarHBondContact ND1-OE1 2.91Å; V261-E263 WeakPolarHBondContact CG2-OE2 2.98Å; E263-V265 HydrophobicContact CB-CG2 3.83Å |
| 264 | T | 67.9 | Low | 79.4 | Confident | 154 Ų | 154 | 59 Ų | 59 | 95% | 0.945 | 32% | 0.322 | S | S | * | . | trans | -98.1 | 89.4 | 168.4 | 37.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 265 | V | 65.5 | Low | 78.4 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | trans | -135 | 138.6 | -179.4 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | Y175 E263 L267 | Y175-V265 HydrophobicContact CE1-CG1 4.14Å; Y175-V265 HydrophobicContact CE1-CG2 4.46Å; E263-V265 HydrophobicContact CB-CG2 3.83Å; V265-L267 HydrophobicContact CB-CG 4.48Å; V265-L267 HydrophobicContact CG1-CG 4.22Å; V265-L267 PolarHBondContact O-N 3.1Å | ||
| 266 | D | 67.3 | Low | 77.8 | Confident | 145 Ų | 145 | 63.4 Ų | 63.4 | 78% | 0.775 | 34% | 0.341 | S | S | * | . | trans | -66.2 | 109.8 | 166.3 | -84.2 | -34 | 0 | 0 | 0 | 108.4 | ||||
| 267 | L | 73 | Confident | 77.3 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | trans | -126.9 | 102.1 | 175 | -78.8 | 174.9 | 0 | 0 | 0 | 107.4 | Y175 F177 V261 V265 P269 L279 | Y175-L267 HydrophobicContact CD1-CD1 4.06Å; Y175-L267 HydrophobicContact CD2-CD1 4.43Å; Y175-L267 HydrophobicContact CD2-CD2 4.45Å; Y175-L267 HydrophobicContact CE1-CD1 4.34Å; Y175-L267 HydrophobicContact CE1-CD2 4.2Å; Y175-L267 HydrophobicContact CE2-CD2 3.97Å; Y175-L267 HydrophobicContact CG-CD1 4.11Å; F177-L267 HydrophobicContact CE1-CD1 4.28Å; F177-L267 HydrophobicContact CZ-CD1 4.39Å; V261-L267 HydrophobicContact CG2-CD1 4.07Å; V265-L267 HydrophobicContact CB-CG 4.48Å; V265-L267 HydrophobicContact CG1-CG 4.22Å; V265-L267 PolarHBondContact O-N 3.1Å; L267-P269 VanDerWaalsContact O-CD 3.24Å; L267-P269 WeakPolarHBondContact O-CD 3.31Å; L267-L279 HydrophobicContact CB-CD1 4.25Å | ||
| 268 | H | 74.6 | Confident | 76.9 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | trans | -80.1 | 113.7 | 180 | -62.8 | -101.8 | 0 | 0 | 0 | 109.4 | E275 | H268-E275 IonicContact CE1-OE1 3.19Å; H268-E275 IonicContact CG-OE1 2.76Å; H268-E275 IonicContact ND1-OE1 2.71Å; H268-E275 PolarHBondContact ND1-OE1 3.22Å | ||
| 269 | P | 80.2 | Confident | 76.3 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.019 | 35% | 0.351 | C | S | . | . | trans | -70.7 | 140.9 | 174.2 | -21.8 | 39 | 0 | 0 | 0 | 110.2 | V138 L267 G276 P277 L281 | V138-P269 HydrophobicContact CG2-CB 3.99Å; V138-P269 HydrophobicContact CG2-CG 4.36Å; L267-P269 VanDerWaalsContact O-CD 3.24Å; L267-P269 WeakPolarHBondContact O-CD 3.31Å; P269-G276 WeakPolarHBondContact O-CA 3.37Å; P269-G276 PolarHBondContact O-N 3.43Å; P269-P277 WeakPolarHBondContact CG-O 3.35Å; P269-L281 HydrophobicContact CB-CD1 3.91Å; P269-L281 HydrophobicContact CG-CD1 3.88Å; P269-L281 HydrophobicContact CG-CD2 4.39Å; P269-L281 HydrophobicContact CG-CG 4.38Å | ||
| 270 | S | 78.7 | Confident | 76.2 | Confident | 25 Ų | 25 | 67 Ų | 67 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135.7 | 166 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | V136 A137 G273 D274 | V136-S270 CarbonylContact C-O 3.54Å; V136-S270 WeakPolarHBondContact CA-O 3.33Å; A137-S270 PolarHBondContact N-O 2.84Å; A137-S270 PolarHBondContact O-N 3.31Å; S270-G273 WeakPolarHBondContact OG-CA 3Å; S270-G273 PolarHBondContact OG-N 3.46Å; S270-D274 VanDerWaalsContact CA-O 3.3Å; S270-D274 WeakPolarHBondContact CA-O 3.21Å; S270-D274 PolarHBondContact OG-O 3.09Å; S270-D274 VanDerWaalsContact OG-O 3.08Å |
| 271 | V | 79.8 | Confident | 76.1 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 113 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | V127 F132 V136 G273 D274 | V127-V271 HydrophobicContact CG1-CG2 4.39Å; F132-V271 HydrophobicContact CB-CG1 3.57Å; F132-V271 HydrophobicContact CG-CG1 4.33Å; V136-V271 HydrophobicContact CG1-CG2 4.08Å; V136-V271 HydrophobicContact CG2-CG1 4.35Å; V136-V271 HydrophobicContact CG2-CG2 4.26Å; V271-G273 PolarHBondContact O-N 3.25Å; V271-D274 PolarHBondContact N-O 3.49Å; V271-D274 PolarHBondContact O-N 3.4Å |
| 272 | D | 73.8 | Confident | 76.3 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 11.3 | -173.1 | -69.1 | -33.4 | 0 | 0 | 0 | 116.9 | F132 M133 N134 I135 | F132-D272 VanDerWaalsContact CA-OD2 3.3Å; F132-D272 WeakPolarHBondContact CA-OD2 3.39Å; F132-D272 WeakPolarHBondContact CB-OD2 3.13Å; M133-D272 WeakPolarHBondContact CG-OD2 3.32Å; M133-D272 PolarHBondContact N-OD2 3.02Å; N134-D272 VanDerWaalsContact CA-OD1 3.25Å; N134-D272 WeakPolarHBondContact CA-OD1 3.14Å; N134-D272 VanDerWaalsContact CB-OD1 3.3Å; N134-D272 WeakPolarHBondContact CB-OD1 3.29Å; N134-D272 PolarHBondContact N-OD1 3.27Å; I135-D272 PolarHBondContact N-OD1 3.29Å; I135-D272 PolarHBondContact O-N 2.86Å |
| 273 | G | 65.3 | Low | 76.7 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 52% | 0.515 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107 | -10.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S270 V271 | S270-G273 WeakPolarHBondContact OG-CA 3Å; S270-G273 PolarHBondContact OG-N 3.46Å; V271-G273 PolarHBondContact O-N 3.25Å |
| 274 | D | 67.8 | Low | 77.6 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 167.4 | 170.5 | -56.4 | -44.4 | 0 | 0 | 0 | 110.2 | N71 S270 V271 | N71-D274 PolarHBondContact ND2-OD2 3.06Å; S270-D274 VanDerWaalsContact CA-O 3.3Å; S270-D274 WeakPolarHBondContact CA-O 3.21Å; S270-D274 PolarHBondContact OG-O 3.09Å; S270-D274 VanDerWaalsContact OG-O 3.08Å; V271-D274 PolarHBondContact N-O 3.49Å; V271-D274 PolarHBondContact O-N 3.4Å |
| 275 | E | 71.8 | Confident | 78.6 | Confident | 148 Ų | 148 | 52.3 Ų | 52.3 | 69% | 0.692 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 128 | 175.2 | -171.9 | 179.2 | -178.9 | 0 | 0 | 110.4 | H268 | H268-E275 IonicContact CE1-OE1 3.19Å; H268-E275 IonicContact CG-OE1 2.76Å; H268-E275 IonicContact ND1-OE1 2.71Å; H268-E275 PolarHBondContact ND1-OE1 3.22Å |
| 276 | G | 74.6 | Confident | 79.8 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | -107.9 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P269 | P269-G276 WeakPolarHBondContact O-CA 3.37Å; P269-G276 PolarHBondContact O-N 3.43Å | ||
| 277 | P | 80.5 | Confident | 80.7 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 147.3 | -171.4 | 27 | -34.5 | 0 | 0 | 0 | 113.3 | V127 E130 P269 L281 | V127-P277 HydrophobicContact CG1-CG 3.61Å; E130-P277 VanDerWaalsContact OE2-CD 3.31Å; E130-P277 WeakPolarHBondContact OE2-CD 3.3Å; P269-P277 WeakPolarHBondContact CG-O 3.35Å; P277-L281 HydrophobicContact CG-CD2 3.99Å; P277-L281 VanDerWaalsContact O-CD2 3.31Å; P277-L281 WeakPolarHBondContact O-CD2 3.03Å |
| 278 | E | 81.4 | Confident | 81.3 | Confident | 172 Ų | 172 | 53 Ų | 53 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 148.2 | 178.1 | -68.5 | 177.3 | -157.2 | 0 | 0 | 114 | ||
| 279 | L | 80.7 | Confident | 82.1 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -63 | 134 | 171 | -73.9 | 159.8 | 0 | 0 | 0 | 110.4 | V138 L259 V261 L267 L281 | V138-L279 HydrophobicContact CG1-CD1 4.29Å; L259-L279 HydrophobicContact CB-CD2 4.33Å; L259-L279 HydrophobicContact CD2-CD2 4Å; L259-L279 HydrophobicContact CG-CD2 3.92Å; V261-L279 HydrophobicContact CB-CD1 4.11Å; V261-L279 HydrophobicContact CG1-CD1 3.81Å; L267-L279 HydrophobicContact CB-CD1 4.25Å; L279-L281 HydrophobicContact CD2-CB 4.37Å; L279-L281 HydrophobicContact CD2-CD1 4.01Å; L279-L281 HydrophobicContact CD2-CG 3.92Å |
| 280 | P | 87.2 | Confident | 82.5 | Confident | 57 Ų | 57 | 50 Ų | 50 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | S | Bend | cis | -87.6 | 135.3 | 18.2 | 32.7 | -35.9 | 0 | 0 | 0 | 115.3 | N128 L259 T260 | N128-P280 PolarHBondContact ND2-O 3.06Å; L259-P280 WeakPolarHBondContact O-CA 2.97Å; T260-P280 HydrophobicContact CG2-CB 3.72Å |
| 281 | L | 88.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 141 | 172.9 | -66.1 | 170.1 | 0 | 0 | 0 | 111 | V127 V136 V138 R258 L259 P269 P277 L279 F283 | V127-L281 HydrophobicContact CG1-CD2 3.81Å; V136-L281 HydrophobicContact CG1-CD1 4.44Å; V138-L281 HydrophobicContact CG2-CD1 3.89Å; R258-L281 CarbonylContact C-O 3.54Å; R258-L281 WeakPolarHBondContact CA-O 3.08Å; R258-L281 WeakPolarHBondContact CG-O 3.43Å; L259-L281 HydrophobicContact CB-CB 4.45Å; L259-L281 HydrophobicContact CD2-CD1 4.43Å; L259-L281 PolarHBondContact N-O 2.83Å; L259-L281 PolarHBondContact O-N 3.06Å; L259-L281 VanDerWaalsContact O-N 3.16Å; P269-L281 HydrophobicContact CB-CD1 3.91Å; P269-L281 HydrophobicContact CG-CD1 3.88Å; P269-L281 HydrophobicContact CG-CD2 4.39Å; P269-L281 HydrophobicContact CG-CG 4.38Å; P277-L281 HydrophobicContact CG-CD2 3.99Å; P277-L281 VanDerWaalsContact O-CD2 3.31Å; P277-L281 WeakPolarHBondContact O-CD2 3.03Å; L279-L281 HydrophobicContact CD2-CB 4.37Å; L279-L281 HydrophobicContact CD2-CD1 4.01Å; L279-L281 HydrophobicContact CD2-CG 3.92Å; L281-F283 HydrophobicContact CB-CE1 3.89Å; L281-F283 HydrophobicContact CB-CE2 3.8Å; L281-F283 HydrophobicContact CB-CZ 3.29Å; L281-F283 HydrophobicContact CD1-CE1 4.12Å; L281-F283 HydrophobicContact CD1-CZ 3.74Å; L281-F283 HydrophobicContact CG-CZ 4.16Å |
| 282 | S | 90.8 | Very high | 83.7 | Confident | 42 Ų | 42 | 52 Ų | 52 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.3 | 176.9 | -40.8 | 0 | 0 | 0 | 0 | 109.1 | V127 N128 | V127-S282 WeakPolarHBondContact CA-O 3.43Å; N128-S282 PolarHBondContact N-O 3.47Å; N128-S282 VanDerWaalsContact OD1-CB 3.27Å; N128-S282 WeakPolarHBondContact OD1-CB 3.41Å; N128-S282 PolarHBondContact OD1-N 2.98Å; N128-S282 PolarHBondContact OD1-OG 3.4Å |
| 283 | F | 89.1 | Confident | 84.5 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143.1 | -169.5 | -48 | -84.6 | 0 | 0 | 0 | 111.9 | K126 V127 V136 M195 L218 F254 E256 G257 L259 L281 | K126-F283 WeakPolarHBondContact O-CA 3.39Å; V127-F283 HydrophobicContact CG2-CD1 3.52Å; V127-F283 HydrophobicContact CG2-CE1 3.63Å; V136-F283 HydrophobicContact CB-CE1 4.45Å; V136-F283 HydrophobicContact CG1-CE1 4.04Å; M195-F283 HydrophobicContact CE-CD1 4.42Å; M195-F283 HydrophobicContact CE-CE1 3.55Å; M195-F283 HydrophobicContact CE-CE2 4.18Å; M195-F283 HydrophobicContact CE-CZ 3.4Å; M195-F283 HydrophobicContact SD-CD1 4.01Å; M195-F283 HydrophobicContact SD-CD2 4.09Å; M195-F283 HydrophobicContact SD-CE1 3.67Å; M195-F283 HydrophobicContact SD-CE2 3.77Å; M195-F283 HydrophobicContact SD-CG 4.22Å; M195-F283 HydrophobicContact SD-CZ 3.54Å; M195-F283 VanDerWaalsContact SD-CZ 3.54Å; L218-F283 HydrophobicContact CD2-CB 4.37Å; F254-F283 HydrophobicContact CE2-CB 4.23Å; F254-F283 HydrophobicContact CZ-CB 4.5Å; E256-F283 WeakPolarHBondContact CA-O 3.24Å; G257-F283 PolarHBondContact N-O 3.37Å; G257-F283 PolarHBondContact O-N 3.13Å; L259-F283 HydrophobicContact CB-CE2 3.62Å; L259-F283 HydrophobicContact CB-CZ 3.99Å; L281-F283 HydrophobicContact CB-CE1 3.89Å; L281-F283 HydrophobicContact CB-CE2 3.8Å; L281-F283 HydrophobicContact CB-CZ 3.29Å; L281-F283 HydrophobicContact CD1-CE1 4.12Å; L281-F283 HydrophobicContact CD1-CZ 3.74Å; L281-F283 HydrophobicContact CG-CZ 4.16Å |
| 284 | K | 90.7 | Very high | 85.5 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 137 | 171.5 | -164.1 | -178.8 | -169.9 | 74.8 | 0 | 111.7 | G125 K126 E256 | G125-K284 CarbonylContact C-O 3.51Å; K126-K284 PolarHBondContact N-O 3.27Å; K126-K284 PolarHBondContact O-N 3.47Å; E256-K284 HydrophobicContact CB-CG 4.35Å; E256-K284 IonicContact OE2-NZ 2.7Å; E256-K284 PolarHBondContact OE2-NZ 3.22Å |
| 285 | V | 89.6 | Confident | 85.9 | Confident | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.3 | 169.4 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | D123 L197 L218 T255 P287 | D123-V285 HydrophobicContact CB-CG1 4.41Å; L197-V285 HydrophobicContact CD2-CG1 4.47Å; L218-V285 HydrophobicContact CB-CG2 3.74Å; L218-V285 HydrophobicContact CD1-CG2 4.02Å; L218-V285 HydrophobicContact CG-CG2 4.49Å; T255-V285 PolarHBondContact O-N 2.96Å; V285-P287 WeakPolarHBondContact O-CD 3.34Å |
| 286 | L | 90.5 | Very high | 85.5 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 95.1 | 167.9 | -55.3 | 177.8 | 0 | 0 | 0 | 107.9 | I124 Y131 H289 | I124-L286 PolarHBondContact N-O 2.97Å; I124-L286 WeakPolarHBondContact O-CA 3.45Å; I124-L286 VanDerWaalsContact O-CB 3.28Å; I124-L286 WeakPolarHBondContact O-CB 3.31Å; I124-L286 PolarHBondContact O-N 2.7Å; Y131-L286 HydrophobicContact CD1-CD1 3.95Å; Y131-L286 HydrophobicContact CE1-CD1 3.63Å; L286-H289 HydrophobicContact CB-CB 3.91Å; L286-H289 WeakPolarHBondContact O-CB 3.05Å |
| 287 | P | 86.6 | Confident | 84.5 | Confident | 83 Ų | 83 | 50.1 Ų | 50.1 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 134.9 | -174 | 27 | -34.2 | 0 | 0 | 0 | 111.7 | D123 V285 H289 | D123-P287 VanDerWaalsContact OD1-CA 3.29Å; D123-P287 WeakPolarHBondContact OD1-CA 3.35Å; V285-P287 WeakPolarHBondContact O-CD 3.34Å; P287-H289 VanDerWaalsContact C-N 3.28Å; P287-H289 PolarHBondContact O-N 2.81Å |
| 288 | Q | 86.1 | Confident | 82.4 | Confident | 121 Ų | 121 | 50.7 Ų | 50.7 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.2 | 40.1 | 173.8 | -56.3 | -177.1 | 8.2 | 0 | 0 | 113.1 | L122 D123 N214 | L122-Q288 CarbonylContact O-C 3.56Å; D123-Q288 PolarHBondContact OD1-N 2.99Å; N214-Q288 PolarHBondContact O-NE2 3.15Å |
| 289 | H | 90.1 | Very high | 80.4 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -19.8 | -167.3 | -164.9 | 69.9 | 0 | 0 | 0 | 114.8 | A78 R83 L122 I124 L286 P287 | A78-H289 PolarHBondContact O-NE2 2.78Å; R83-H289 WeakPolarHBondContact CD-O 3.45Å; R83-H289 PolarHBondContact NH1-CE1 2.94Å; R83-H289 PolarHBondContact NH1-ND1 3.01Å; R83-H289 PolarHBondContact NH1-O 3.08Å; L122-H289 PolarHBondContact O-N 3.23Å; I124-H289 HydrophobicContact CB-CB 4.21Å; I124-H289 HydrophobicContact CG1-CB 4.12Å; L286-H289 HydrophobicContact CB-CB 3.91Å; L286-H289 WeakPolarHBondContact O-CB 3.05Å; P287-H289 VanDerWaalsContact C-N 3.28Å; P287-H289 PolarHBondContact O-N 2.81Å |
| 290 | L | 90.1 | Very high | 78.1 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.8 | 167.2 | -85.7 | 93.9 | 0 | 0 | 0 | 112.3 | L77 F86 S121 L122 I124 V292 | L77-L290 HydrophobicContact CB-CD2 4.01Å; L77-L290 HydrophobicContact CD1-CD2 3.8Å; F86-L290 HydrophobicContact CB-CD2 3.77Å; F86-L290 HydrophobicContact CG-CD2 4.44Å; S121-L290 CarbonylContact C-O 3.56Å; S121-L290 VanDerWaalsContact CA-O 3.3Å; S121-L290 WeakPolarHBondContact CA-O 3.33Å; L122-L290 HydrophobicContact CB-CB 4.49Å; L122-L290 PolarHBondContact N-O 3.28Å; L122-L290 PolarHBondContact O-N 2.83Å; L122-L290 VanDerWaalsContact O-N 3.15Å; I124-L290 HydrophobicContact CD1-CD1 4.15Å; I124-L290 HydrophobicContact CG1-CD1 3.7Å; L290-V292 HydrophobicContact CB-CG1 4.15Å |
| 291 | E | 91 | Very high | 75.6 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.9 | 156.8 | -93.4 | -164.4 | 99.3 | 0 | 0 | 108.4 | K85 F86 K119 | K85-E291 CarbonylContact C-O 3.55Å; K85-E291 WeakPolarHBondContact CA-O 3.5Å; K85-E291 HydrophobicContact CB-CB 4.41Å; K85-E291 WeakPolarHBondContact CE-OE2 3.34Å; K85-E291 HydrophobicContact CG-CB 3.87Å; K85-E291 IonicContact NZ-OE2 3.5Å; K85-E291 PolarHBondContact NZ-OE2 2.67Å; F86-E291 PolarHBondContact N-O 2.95Å; K119-E291 IonicContact NZ-OE1 2.64Å; K119-E291 PolarHBondContact NZ-OE1 3.4Å |
| 292 | V | 91.1 | Very high | 73.1 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.6 | 177 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | F86 L101 K119 T120 L122 L290 | F86-V292 HydrophobicContact CB-CG1 4.24Å; F86-V292 HydrophobicContact CD1-CG1 4.33Å; F86-V292 CarbonylContact O-C 3.6Å; F86-V292 WeakPolarHBondContact O-CA 3.28Å; L101-V292 HydrophobicContact CD1-CB 4.29Å; L101-V292 HydrophobicContact CD1-CG2 3.84Å; L101-V292 HydrophobicContact CD2-CG2 3.7Å; L101-V292 HydrophobicContact CG-CG2 4.46Å; K119-V292 CarbonylContact C-O 3.58Å; K119-V292 VanDerWaalsContact CA-O 3.26Å; K119-V292 WeakPolarHBondContact CA-O 3.46Å; T120-V292 HydrophobicContact CG2-CG2 3.63Å; T120-V292 PolarHBondContact N-O 2.94Å; T120-V292 PolarHBondContact O-N 3.11Å; L122-V292 HydrophobicContact CB-CB 4.45Å; L122-V292 HydrophobicContact CB-CG1 3.69Å; L122-V292 HydrophobicContact CB-CG2 3.88Å; L122-V292 HydrophobicContact CD2-CG1 3.7Å; L122-V292 HydrophobicContact CG-CG1 4.34Å; L290-V292 HydrophobicContact CB-CG1 4.15Å |
| 293 | Y | 91.8 | Very high | 70.4 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 145.9 | 171.1 | -67.5 | -74.3 | 0 | 0 | 0 | 111.6 | S60 F62 K85 F86 F114 I116 R118 K119 | S60-Y293 PolarHBondContact OG-OH 2.93Å; F62-Y293 AromaticContact CE1-CD2 3.78Å; F62-Y293 HydrophobicContact CE1-CD2 3.78Å; F62-Y293 HydrophobicContact CE1-CE2 4.06Å; F62-Y293 HydrophobicContact CE2-CE2 4.5Å; F62-Y293 AromaticContact CZ-CD2 3.84Å; F62-Y293 HydrophobicContact CZ-CD2 3.84Å; F62-Y293 AromaticContact CZ-CE2 3.6Å; F62-Y293 HydrophobicContact CZ-CE2 3.6Å; K85-Y293 HydrophobicContact CB-CE2 3.76Å; F86-Y293 WeakPolarHBondContact O-CD2 3.19Å; F86-Y293 PolarHBondContact O-N 2.78Å; F114-Y293 AromaticContact CE2-CD1 3.96Å; F114-Y293 HydrophobicContact CE2-CD1 3.96Å; F114-Y293 HydrophobicContact CE2-CD2 4.35Å; F114-Y293 AromaticContact CE2-CG 3.84Å; F114-Y293 HydrophobicContact CE2-CG 3.84Å; F114-Y293 HydrophobicContact CZ-CD1 4.26Å; F114-Y293 HydrophobicContact CZ-CE1 4.44Å; F114-Y293 HydrophobicContact CZ-CG 4.37Å; I116-Y293 HydrophobicContact CB-CE1 4.08Å; I116-Y293 HydrophobicContact CG2-CE1 4.18Å; R118-Y293 WeakPolarHBondContact O-CA 3.46Å; K119-Y293 HydrophobicContact CD-CD1 4.27Å; K119-Y293 HydrophobicContact CD-CE1 3.67Å; K119-Y293 HydrophobicContact CG-CD1 3.66Å; K119-Y293 HydrophobicContact CG-CE1 3.58Å |
| 294 | Y | 86.5 | Confident | 67.6 | Low | 94 Ų | 94 | 67.6 Ų | 67.6 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | trans | -133.5 | 155.7 | -179.5 | 79.9 | -99.8 | 0 | 0 | 0 | 112.5 | L101 R118 T120 | L101-Y294 WeakPolarHBondContact O-CA 3.08Å; L101-Y294 WeakPolarHBondContact O-CB 3.28Å; R118-Y294 VanDerWaalsContact C-CD1 3.45Å; R118-Y294 HydrophobicContact CB-CD1 3.83Å; R118-Y294 HydrophobicContact CB-CD2 4.07Å; R118-Y294 HydrophobicContact CB-CE1 3.69Å; R118-Y294 HydrophobicContact CB-CE2 3.91Å; R118-Y294 HydrophobicContact CB-CG 4.01Å; R118-Y294 WeakPolarHBondContact CB-O 3.15Å; R118-Y294 WeakPolarHBondContact CD-O 3.49Å; R118-Y294 HydrophobicContact CG-CD2 4.45Å; R118-Y294 HydrophobicContact CG-CE1 4.34Å; R118-Y294 HydrophobicContact CG-CE2 3.93Å; R118-Y294 PolarHBondContact O-N 3.03Å; R118-Y294 VanDerWaalsContact O-N 3.13Å; T120-Y294 HydrophobicContact CG2-CD1 4.27Å | ||
| 295 | G | 74.7 | Confident | 64.9 | Low | 8 Ų | 8 | 69.1 Ų | 69.1 | 8% | 0.082 | 38% | 0.379 | C | S | . | . | trans | -83.6 | -174 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | L101 K102 R118 | L101-G295 PolarHBondContact O-N 3.37Å; K102-G295 VanDerWaalsContact O-CA 3.31Å; K102-G295 WeakPolarHBondContact O-CA 3.48Å; R118-G295 WeakPolarHBondContact CD-O 3.3Å | ||
| 296 | A | 63.6 | Low | 62.2 | Low | 20 Ų | 20 | 75 Ų | 75 | 17% | 0.165 | 41% | 0.406 | C | S | . | . | trans | -90.4 | 154.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | S298 | A296-S298 PolarHBondContact O-N 2.93Š| ||
| 297 | D | 53.3 | Low | 59.6 | Low | 122 Ų | 122 | 81.6 Ų | 81.6 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | trans | -66 | 102.1 | 157.3 | -76.4 | -63.5 | 0 | 0 | 0 | 108.4 | K102 V299 | K102-D297 IonicContact NZ-OD1 2.72Å; K102-D297 PolarHBondContact NZ-OD1 3.2Å; K102-D297 IonicContact NZ-OD2 3.89Å; K102-D297 PolarHBondContact NZ-OD2 3.35Å; D297-V299 PolarHBondContact O-N 3.02Å; D297-V299 VanDerWaalsContact O-N 3.12Å | ||
| 298 | S | 38.4 | Very low | 57.3 | Low | 42 Ų | 42 | 84.7 Ų | 84.7 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | trans | -74.1 | 103 | -170.2 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | E109 A296 I300 | E109-S298 WeakPolarHBondContact OE1-CB 3.45Å; A296-S298 PolarHBondContact O-N 2.93Å; S298-I300 PolarHBondContact O-N 2.81Å; S298-I300 VanDerWaalsContact O-N 3.1Å | ||
| 299 | V | 37.6 | Very low | 55.5 | Low | 119 Ų | 119 | 85 Ų | 85 | 72% | 0.721 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.7 | 179 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | D297 | D297-V299 PolarHBondContact O-N 3.02Å; D297-V299 VanDerWaalsContact O-N 3.12Å |
| 300 | I | 33.1 | Very low | 53.9 | Low | 124 Ų | 124 | 87.3 Ų | 87.3 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -27.9 | -169.3 | -60.7 | 177.1 | 0 | 0 | 0 | 112.8 | S298 N302 | S298-I300 PolarHBondContact O-N 2.81Å; S298-I300 VanDerWaalsContact O-N 3.1Å; I300-N302 PolarHBondContact O-N 3.09Å |
| 301 | H | 35.6 | Very low | 52.8 | Low | 117 Ų | 117 | 93.9 Ų | 93.9 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -73.2 | -22.2 | -174.8 | -103.6 | 53.3 | 0 | 0 | 0 | 114.6 | E109 | E109-H301 IonicContact OE2-CE1 3.19Å; E109-H301 IonicContact OE2-ND1 2.89Å |
| 302 | N | 34.8 | Very low | 51.8 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -71.3 | -33.4 | -177.4 | -74.8 | -20.1 | 0 | 0 | 0 | 113.7 | I300 G304 E305 E306 | I300-N302 PolarHBondContact O-N 3.09Å; N302-G304 PolarHBondContact O-N 3.02Å; N302-G304 VanDerWaalsContact O-N 3.09Å; N302-E305 PolarHBondContact O-N 2.76Å; N302-E305 VanDerWaalsContact O-N 3.14Å; N302-E306 WeakPolarHBondContact O-CG 2.86Å; N302-E306 PolarHBondContact O-N 2.78Å |
| 303 | I | 35.1 | Very low | 50.7 | Low | 124 Ų | 124 | 96.8 Ų | 96.8 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -67 | -17.8 | -171.9 | -53.2 | 175.3 | 0 | 0 | 0 | 111.7 | ||
| 304 | G | 29.4 | Very low | 49.7 | Very low | 76 Ų | 76 | 100.7 Ų | 100.7 | 78% | 0.784 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -86 | -21.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N302 | N302-G304 PolarHBondContact O-N 3.02Å; N302-G304 VanDerWaalsContact O-N 3.09Å |
| 305 | E | 34 | Very low | 49 | Very low | 125 Ų | 125 | 97.5 Ų | 97.5 | 58% | 0.584 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -5.3 | 179.7 | -71.3 | -139.9 | 93.7 | 0 | 0 | 113.9 | N302 I307 K308 | N302-E305 PolarHBondContact O-N 2.76Å; N302-E305 VanDerWaalsContact O-N 3.14Å; E305-I307 PolarHBondContact O-N 3.14Å; E305-K308 PolarHBondContact O-N 2.88Å; E305-K308 VanDerWaalsContact O-N 3.09Å; E305-K308 IonicContact OE1-NZ 3.24Å; E305-K308 PolarHBondContact OE1-NZ 3.18Å |
| 306 | E | 32.4 | Very low | 49.2 | Very low | 135 Ų | 135 | 105.4 Ų | 105.4 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 7.8 | -169.6 | -99.5 | 171.8 | -177.4 | 0 | 0 | 117.3 | N302 | N302-E306 WeakPolarHBondContact O-CG 2.86Å; N302-E306 PolarHBondContact O-N 2.78Å |
| 307 | I | 36.6 | Very low | 49.7 | Very low | 175 Ų | 175 | 110.5 Ų | 110.5 | 90% | 0.897 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 36.8 | 167.6 | -35.4 | -176.9 | 0 | 0 | 0 | 111.8 | E305 | E305-I307 PolarHBondContact O-N 3.14Š|
| 308 | K | 37.6 | Very low | 50.9 | Low | 148 Ų | 148 | 109.4 Ų | 109.4 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -117.8 | 111.9 | 151.2 | -65.4 | 171.5 | -173.4 | 162.6 | 0 | 107.4 | E305 D310 | E305-K308 PolarHBondContact O-N 2.88Å; E305-K308 VanDerWaalsContact O-N 3.09Å; E305-K308 IonicContact OE1-NZ 3.24Å; E305-K308 PolarHBondContact OE1-NZ 3.18Å; K308-D310 PolarHBondContact O-N 2.79Å |
| 309 | M | 48 | Very low | 53 | Low | 128 Ų | 128 | 109.5 Ų | 109.5 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | trans | -66.2 | 121.6 | 166.2 | -75.2 | -153.2 | -64.3 | 0 | 0 | 108.7 | T313 L314 | M309-T313 HydrophobicContact CG-CG2 4.38Å; M309-T313 HydrophobicContact SD-CG2 4.05Å; M309-L314 HydrophobicContact CE-CD1 3.98Å | ||
| 310 | D | 57.3 | Low | 55.1 | Low | 77 Ų | 77 | 106.1 Ų | 106.1 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | trans | -65 | 158.4 | 173.6 | 113.9 | 86 | 0 | 0 | 0 | 110.8 | K308 V312 T313 L314 | K308-D310 PolarHBondContact O-N 2.79Å; D310-V312 VanDerWaalsContact C-N 3.27Å; D310-V312 PolarHBondContact O-N 2.72Å; D310-V312 VanDerWaalsContact OD1-CB 3.32Å; D310-V312 WeakPolarHBondContact OD1-CB 3.43Å; D310-V312 WeakPolarHBondContact OD1-CG2 3.33Å; D310-V312 PolarHBondContact OD1-N 2.84Å; D310-T313 WeakPolarHBondContact O-CB 3.31Å; D310-T313 PolarHBondContact O-N 2.98Å; D310-T313 VanDerWaalsContact O-N 3.12Å; D310-T313 VanDerWaalsContact OD2-CB 3.23Å; D310-T313 WeakPolarHBondContact OD2-CB 3.34Å; D310-T313 PolarHBondContact OD2-N 2.89Å; D310-T313 PolarHBondContact OD2-OG1 2.86Å; D310-L314 PolarHBondContact O-N 2.89Å | ||
| 311 | I | 67.3 | Low | 57.3 | Low | 143 Ų | 143 | 104.2 Ų | 104.2 | 73% | 0.733 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.4 | -37.2 | -177.2 | -61.7 | 174.4 | 0 | 0 | 0 | 111.2 | L314 A315 | I311-L314 PolarHBondContact O-N 2.87Å; I311-A315 VanDerWaalsContact O-CB 3.27Å; I311-A315 WeakPolarHBondContact O-CB 3.31Å; I311-A315 PolarHBondContact O-N 3.08Å |
| 312 | V | 70.4 | Confident | 59.6 | Low | 76 Ų | 76 | 99.6 Ų | 99.6 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | D310 A315 R316 | D310-V312 VanDerWaalsContact C-N 3.27Å; D310-V312 PolarHBondContact O-N 2.72Å; D310-V312 VanDerWaalsContact OD1-CB 3.32Å; D310-V312 WeakPolarHBondContact OD1-CB 3.43Å; D310-V312 WeakPolarHBondContact OD1-CG2 3.33Å; D310-V312 PolarHBondContact OD1-N 2.84Å; V312-A315 PolarHBondContact O-N 3.18Å; V312-R316 HydrophobicContact CG1-CG 4.47Å; V312-R316 WeakPolarHBondContact O-CB 3.43Å; V312-R316 WeakPolarHBondContact O-CG 3.12Å; V312-R316 PolarHBondContact O-N 2.82Å |
| 313 | T | 67 | Low | 61.9 | Low | 58 Ų | 58 | 95.8 Ų | 95.8 | 36% | 0.356 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 175.4 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | M309 D310 R316 F317 | M309-T313 HydrophobicContact CG-CG2 4.38Å; M309-T313 HydrophobicContact SD-CG2 4.05Å; D310-T313 WeakPolarHBondContact O-CB 3.31Å; D310-T313 PolarHBondContact O-N 2.98Å; D310-T313 VanDerWaalsContact O-N 3.12Å; D310-T313 VanDerWaalsContact OD2-CB 3.23Å; D310-T313 WeakPolarHBondContact OD2-CB 3.34Å; D310-T313 PolarHBondContact OD2-N 2.89Å; D310-T313 PolarHBondContact OD2-OG1 2.86Å; T313-R316 PolarHBondContact O-N 2.86Å; T313-F317 PolarHBondContact O-N 2.75Å |
| 314 | L | 71 | Confident | 64.2 | Low | 94 Ų | 94 | 94.6 Ų | 94.6 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.1 | -175.9 | 66.3 | 0 | 0 | 0 | 111.8 | M309 D310 I311 F317 Q318 | M309-L314 HydrophobicContact CE-CD1 3.98Å; D310-L314 PolarHBondContact O-N 2.89Å; I311-L314 PolarHBondContact O-N 2.87Å; L314-F317 PolarHBondContact O-N 3.5Å; L314-Q318 WeakPolarHBondContact O-CB 3.25Å; L314-Q318 PolarHBondContact O-N 2.89Å |
| 315 | A | 72.7 | Confident | 66.7 | Low | 27 Ų | 27 | 96 Ų | 96 | 22% | 0.223 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I311 V312 Q318 F319 | I311-A315 VanDerWaalsContact O-CB 3.27Å; I311-A315 WeakPolarHBondContact O-CB 3.31Å; I311-A315 PolarHBondContact O-N 3.08Å; V312-A315 PolarHBondContact O-N 3.18Å; A315-Q318 PolarHBondContact O-N 2.8Å; A315-F319 WeakPolarHBondContact O-CB 3.29Å; A315-F319 PolarHBondContact O-N 2.87Å |
| 316 | R | 78.3 | Confident | 69.2 | Low | 175 Ų | 175 | 91.3 Ų | 91.3 | 66% | 0.66 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 172.2 | -78.1 | 168 | 177.2 | 172.5 | 1.3 | 111.6 | V312 T313 A320 | V312-R316 HydrophobicContact CG1-CG 4.47Å; V312-R316 WeakPolarHBondContact O-CB 3.43Å; V312-R316 WeakPolarHBondContact O-CG 3.12Å; V312-R316 PolarHBondContact O-N 2.82Å; T313-R316 PolarHBondContact O-N 2.86Å; R316-A320 VanDerWaalsContact O-CB 3.28Å; R316-A320 WeakPolarHBondContact O-CB 3.33Å; R316-A320 PolarHBondContact O-N 3.24Å |
| 317 | F | 74.3 | Confident | 71.6 | Confident | 126 Ų | 126 | 91.4 Ų | 91.4 | 55% | 0.553 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.8 | -45.1 | 176.8 | -176.5 | -98.6 | 0 | 0 | 0 | 111.9 | T313 L314 F319 A320 M321 | T313-F317 PolarHBondContact O-N 2.75Å; L314-F317 PolarHBondContact O-N 3.5Å; F317-F319 PolarHBondContact O-N 3.37Å; F317-A320 PolarHBondContact O-N 2.9Å; F317-M321 HydrophobicContact CD1-CG 4.27Å; F317-M321 HydrophobicContact CE1-CG 3.86Å; F317-M321 HydrophobicContact CE2-CG 4.32Å; F317-M321 HydrophobicContact CE2-SD 4.48Å; F317-M321 HydrophobicContact CZ-CG 3.89Å; F317-M321 HydrophobicContact CZ-SD 4.14Å; F317-M321 WeakPolarHBondContact O-CG 3.34Å; F317-M321 PolarHBondContact O-N 2.82Å |
| 318 | Q | 78.6 | Confident | 74 | Confident | 100 Ų | 100 | 87.9 Ų | 87.9 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.1 | -173.7 | -171.5 | 5.5 | 0 | 0 | 112.1 | L314 A315 T322 | L314-Q318 WeakPolarHBondContact O-CB 3.25Å; L314-Q318 PolarHBondContact O-N 2.89Å; A315-Q318 PolarHBondContact O-N 2.8Å; Q318-T322 PolarHBondContact O-N 3.18Å; Q318-T322 VanDerWaalsContact O-N 3.1Å; Q318-T322 PolarHBondContact O-OG1 2.66Å |
| 319 | F | 80.9 | Confident | 76.5 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 19% | 0.189 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.2 | -50 | 176.4 | -177.6 | -96 | 0 | 0 | 0 | 111.1 | A315 F317 M321 T322 T323 Q380 Q383 F384 W388 | A315-F319 WeakPolarHBondContact O-CB 3.29Å; A315-F319 PolarHBondContact O-N 2.87Å; F317-F319 PolarHBondContact O-N 3.37Å; F319-M321 VanDerWaalsContact C-N 3.32Å; F319-M321 PolarHBondContact O-N 2.92Å; F319-T322 WeakPolarHBondContact O-CA 3.23Å; F319-T322 WeakPolarHBondContact O-CB 3.19Å; F319-T322 PolarHBondContact O-N 3.15Å; F319-T323 WeakPolarHBondContact CE1-OG1 3.4Å; F319-T323 WeakPolarHBondContact CZ-OG1 3.46Å; F319-T323 PolarHBondContact O-N 3.09Å; F319-T323 PolarHBondContact O-OG1 3.3Å; F319-T323 VanDerWaalsContact O-OG1 3.11Å; F319-Q380 HydrophobicContact CE2-CG 3.8Å; F319-Q380 HydrophobicContact CZ-CG 4.45Å; F319-Q383 HydrophobicContact CD2-CB 4.36Å; F319-Q383 VanDerWaalsContact CD2-OE1 3.31Å; F319-F384 HydrophobicContact CE2-CZ 4.38Å; F319-F384 HydrophobicContact CZ-CZ 4.35Å; F319-W388 HydrophobicContact CB-CH2 4.5Å; F319-W388 AromaticContact CD1-CH2 3.67Å; F319-W388 HydrophobicContact CD1-CH2 3.67Å; F319-W388 HydrophobicContact CD1-CZ3 4.47Å; F319-W388 AromaticContact CD2-CH2 3.52Å; F319-W388 HydrophobicContact CD2-CH2 3.52Å; F319-W388 AromaticContact CD2-CZ3 3.62Å; F319-W388 HydrophobicContact CD2-CZ3 3.62Å; F319-W388 AromaticContact CE1-CH2 3.66Å; F319-W388 HydrophobicContact CE1-CH2 3.66Å; F319-W388 HydrophobicContact CE1-CZ3 4.22Å; F319-W388 AromaticContact CE2-CH2 3.53Å; F319-W388 HydrophobicContact CE2-CH2 3.53Å; F319-W388 AromaticContact CE2-CZ3 3.33Å; F319-W388 HydrophobicContact CE2-CZ3 3.33Å; F319-W388 AromaticContact CG-CH2 3.6Å; F319-W388 HydrophobicContact CG-CH2 3.6Å; F319-W388 HydrophobicContact CG-CZ2 4.45Å; F319-W388 HydrophobicContact CG-CZ3 4.19Å; F319-W388 AromaticContact CZ-CH2 3.6Å; F319-W388 HydrophobicContact CZ-CH2 3.6Å; F319-W388 AromaticContact CZ-CZ3 3.66Å; F319-W388 HydrophobicContact CZ-CZ3 3.66Å |
| 320 | A | 81.7 | Confident | 78.4 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.6 | -44.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R316 F317 T322 T323 V324 | R316-A320 VanDerWaalsContact O-CB 3.28Å; R316-A320 WeakPolarHBondContact O-CB 3.33Å; R316-A320 PolarHBondContact O-N 3.24Å; F317-A320 PolarHBondContact O-N 2.9Å; A320-T322 PolarHBondContact O-N 2.84Å; A320-T323 PolarHBondContact O-N 3.01Å; A320-V324 WeakPolarHBondContact O-CB 3.41Å; A320-V324 VanDerWaalsContact O-CG2 3.27Å; A320-V324 WeakPolarHBondContact O-CG2 3.44Å; A320-V324 PolarHBondContact O-N 2.74Å |
| 321 | M | 80.4 | Confident | 79.9 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 42% | 0.419 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.8 | -72.3 | -60.6 | -60.6 | 0 | 0 | 112.4 | F317 F319 F325 | F317-M321 HydrophobicContact CD1-CG 4.27Å; F317-M321 HydrophobicContact CE1-CG 3.86Å; F317-M321 HydrophobicContact CE2-CG 4.32Å; F317-M321 HydrophobicContact CE2-SD 4.48Å; F317-M321 HydrophobicContact CZ-CG 3.89Å; F317-M321 HydrophobicContact CZ-SD 4.14Å; F317-M321 WeakPolarHBondContact O-CG 3.34Å; F317-M321 PolarHBondContact O-N 2.82Å; F319-M321 VanDerWaalsContact C-N 3.32Å; F319-M321 PolarHBondContact O-N 2.92Å; M321-F325 HydrophobicContact CE-CE2 3.99Å; M321-F325 VanDerWaalsContact O-CD2 3.27Å; M321-F325 WeakPolarHBondContact O-CD2 3.32Å; M321-F325 PolarHBondContact O-N 3.21Å |
| 322 | T | 84 | Confident | 81.1 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -48.9 | 177.7 | -53 | 0 | 0 | 0 | 0 | 110.7 | Q318 F319 A320 F325 H326 I379 Q380 Q383 | Q318-T322 PolarHBondContact O-N 3.18Å; Q318-T322 VanDerWaalsContact O-N 3.1Å; Q318-T322 PolarHBondContact O-OG1 2.66Å; F319-T322 WeakPolarHBondContact O-CA 3.23Å; F319-T322 WeakPolarHBondContact O-CB 3.19Å; F319-T322 PolarHBondContact O-N 3.15Å; A320-T322 PolarHBondContact O-N 2.84Å; T322-F325 PolarHBondContact O-N 2.81Å; T322-H326 WeakPolarHBondContact O-CB 3.38Å; T322-H326 PolarHBondContact O-N 3Å; T322-I379 HydrophobicContact CG2-CB 4.25Å; T322-I379 HydrophobicContact CG2-CG2 3.82Å; T322-Q380 HydrophobicContact CG2-CB 4.14Å; T322-Q380 HydrophobicContact CG2-CG 4.46Å; T322-Q383 PolarHBondContact OG1-NE2 3.48Å; T322-Q383 PolarHBondContact OG1-OE1 3.16Å |
| 323 | T | 83.6 | Confident | 82.1 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 18% | 0.184 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 179.8 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | F319 A320 F325 H326 F327 Q380 | F319-T323 WeakPolarHBondContact CE1-OG1 3.4Å; F319-T323 WeakPolarHBondContact CZ-OG1 3.46Å; F319-T323 PolarHBondContact O-N 3.09Å; F319-T323 PolarHBondContact O-OG1 3.3Å; F319-T323 VanDerWaalsContact O-OG1 3.11Å; A320-T323 PolarHBondContact O-N 3.01Å; T323-F325 PolarHBondContact O-N 3.35Å; T323-H326 PolarHBondContact O-N 3.19Å; T323-F327 HydrophobicContact CG2-CD2 3.49Å; T323-F327 VanDerWaalsContact CG2-CD2 3.49Å; T323-F327 HydrophobicContact CG2-CE2 3.72Å; T323-F327 WeakPolarHBondContact O-CB 3.33Å; T323-F327 PolarHBondContact O-N 3.46Å; T323-Q380 PolarHBondContact OG1-OE1 2.9Å; T323-Q380 VanDerWaalsContact OG1-OE1 3.06Å |
| 324 | V | 83 | Confident | 83.3 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 178.6 | 164.8 | 0 | 0 | 0 | 0 | 111.7 | A320 F328 | A320-V324 WeakPolarHBondContact O-CB 3.41Å; A320-V324 VanDerWaalsContact O-CG2 3.27Å; A320-V324 WeakPolarHBondContact O-CG2 3.44Å; A320-V324 PolarHBondContact O-N 2.74Å; V324-F328 WeakPolarHBondContact O-CB 3.26Å; V324-F328 PolarHBondContact O-N 2.8Å |
| 325 | F | 82.1 | Confident | 84.4 | Confident | 105 Ų | 105 | 60 Ų | 60 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 175 | -74.5 | -63.5 | 0 | 0 | 0 | 112.2 | M321 T322 T323 F328 F329 T376 | M321-F325 HydrophobicContact CE-CE2 3.99Å; M321-F325 VanDerWaalsContact O-CD2 3.27Å; M321-F325 WeakPolarHBondContact O-CD2 3.32Å; M321-F325 PolarHBondContact O-N 3.21Å; T322-F325 PolarHBondContact O-N 2.81Å; T323-F325 PolarHBondContact O-N 3.35Å; F325-F328 PolarHBondContact O-N 3.07Å; F325-F329 HydrophobicContact CD1-CE2 4.12Å; F325-F329 WeakPolarHBondContact O-CD2 3.33Å; F325-F329 PolarHBondContact O-N 3.48Å; F325-T376 HydrophobicContact CB-CG2 3.88Å |
| 326 | H | 86.2 | Confident | 85.4 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.125 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -49.5 | -178.3 | -166.9 | 64.8 | 0 | 0 | 0 | 112.6 | T322 T323 F328 F329 V330 G373 T376 G377 | T322-H326 WeakPolarHBondContact O-CB 3.38Å; T322-H326 PolarHBondContact O-N 3Å; T323-H326 PolarHBondContact O-N 3.19Å; H326-F328 PolarHBondContact O-N 2.85Å; H326-F329 PolarHBondContact O-N 2.76Å; H326-V330 VanDerWaalsContact CE1-CG2 3.49Å; H326-V330 WeakPolarHBondContact CE1-CG2 3.45Å; H326-V330 PolarHBondContact O-N 2.83Å; H326-V330 VanDerWaalsContact O-N 3.07Å; H326-G373 PolarHBondContact CE1-O 2.93Å; H326-G373 PolarHBondContact ND1-O 3.12Å; H326-T376 PolarHBondContact ND1-OG1 3.34Å; H326-G377 WeakPolarHBondContact CE1-CA 3.27Å; H326-G377 PolarHBondContact ND1-N 2.94Å |
| 327 | F | 83.2 | Confident | 86.1 | Confident | 137 Ų | 137 | 50.4 Ų | 50.4 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.1 | -15.4 | 176.8 | -87.8 | -96 | 0 | 0 | 0 | 113.9 | T323 P331 | T323-F327 HydrophobicContact CG2-CD2 3.49Å; T323-F327 VanDerWaalsContact CG2-CD2 3.49Å; T323-F327 HydrophobicContact CG2-CE2 3.72Å; T323-F327 WeakPolarHBondContact O-CB 3.33Å; T323-F327 PolarHBondContact O-N 3.46Å; F327-P331 WeakPolarHBondContact O-CD 3.32Å; F327-P331 VanDerWaalsContact O-CG 3.31Å; F327-P331 WeakPolarHBondContact O-CG 3.23Å |
| 328 | F | 86.9 | Confident | 87 | Confident | 100 Ų | 100 | 45.5 Ų | 45.5 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -83.4 | -51.8 | 169.5 | -176.5 | -91.1 | 0 | 0 | 0 | 111.8 | V324 F325 H326 F332 M499 I503 | V324-F328 WeakPolarHBondContact O-CB 3.26Å; V324-F328 PolarHBondContact O-N 2.8Å; F325-F328 PolarHBondContact O-N 3.07Å; H326-F328 PolarHBondContact O-N 2.85Å; F328-F332 HydrophobicContact CE1-CD1 4.33Å; F328-F332 VanDerWaalsContact O-CB 3.24Å; F328-F332 WeakPolarHBondContact O-CB 3.49Å; F328-F332 PolarHBondContact O-N 3.4Å; F328-M499 HydrophobicContact CD1-CE 4.42Å; F328-M499 HydrophobicContact CD2-CE 3.49Å; F328-M499 VanDerWaalsContact CD2-CE 3.49Å; F328-M499 HydrophobicContact CE1-CE 4.4Å; F328-M499 HydrophobicContact CE2-CE 3.46Å; F328-M499 VanDerWaalsContact CE2-CE 3.46Å; F328-M499 HydrophobicContact CG-CE 3.99Å; F328-M499 HydrophobicContact CZ-CE 3.94Å; F328-M499 WeakPolarHBondContact O-CE 3.42Å; F328-I503 HydrophobicContact CZ-CD1 4.36Å |
| 329 | F | 88.6 | Confident | 87.7 | Confident | 43 Ų | 43 | 40.8 Ų | 40.8 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.2 | -28.3 | -170.1 | -80.9 | -74.5 | 0 | 0 | 0 | 114.5 | F325 H326 F332 S333 V372 | F325-F329 HydrophobicContact CD1-CE2 4.12Å; F325-F329 WeakPolarHBondContact O-CD2 3.33Å; F325-F329 PolarHBondContact O-N 3.48Å; H326-F329 PolarHBondContact O-N 2.76Å; F329-F332 HydrophobicContact CD1-CD1 4.02Å; F329-F332 HydrophobicContact CE1-CD1 4.33Å; F329-F332 HydrophobicContact CE1-CE1 4.47Å; F329-S333 WeakPolarHBondContact O-CB 3.46Å; F329-S333 PolarHBondContact O-N 3.24Å; F329-S333 PolarHBondContact O-OG 2.8Å; F329-V372 HydrophobicContact CB-CB 4.48Å; F329-V372 HydrophobicContact CB-CG1 4.41Å; F329-V372 HydrophobicContact CD1-CB 4.08Å; F329-V372 HydrophobicContact CD1-CG1 4.27Å; F329-V372 HydrophobicContact CD2-CB 4.11Å; F329-V372 HydrophobicContact CD2-CG1 3.4Å; F329-V372 VanDerWaalsContact CD2-CG1 3.4Å; F329-V372 HydrophobicContact CE1-CB 4.34Å; F329-V372 HydrophobicContact CE1-CG1 4.45Å; F329-V372 HydrophobicContact CE2-CB 4.37Å; F329-V372 HydrophobicContact CE2-CG1 3.62Å; F329-V372 HydrophobicContact CG-CB 3.96Å; F329-V372 HydrophobicContact CG-CG1 3.77Å; F329-V372 HydrophobicContact CZ-CB 4.49Å; F329-V372 HydrophobicContact CZ-CG1 4.15Å |
| 330 | V | 88.2 | Confident | 88.3 | Confident | 41 Ų | 41 | 38.7 Ų | 38.7 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71 | -54.1 | 178.8 | 173 | 0 | 0 | 0 | 0 | 112.4 | H326 F332 S333 I334 | H326-V330 VanDerWaalsContact CE1-CG2 3.49Å; H326-V330 WeakPolarHBondContact CE1-CG2 3.45Å; H326-V330 PolarHBondContact O-N 2.83Å; H326-V330 VanDerWaalsContact O-N 3.07Å; V330-F332 VanDerWaalsContact C-N 3.28Å; V330-F332 PolarHBondContact O-N 3.47Å; V330-S333 PolarHBondContact O-N 3.02Å; V330-S333 VanDerWaalsContact O-N 3.1Å; V330-I334 HydrophobicContact CG1-CD1 3.83Å; V330-I334 WeakPolarHBondContact O-CG1 3.33Å; V330-I334 PolarHBondContact O-N 3.12Å |
| 331 | P | 89.7 | Confident | 88.9 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -33.3 | 176.9 | -22 | 35.4 | 0 | 0 | 0 | 112.9 | F327 G335 A496 M499 | F327-P331 WeakPolarHBondContact O-CD 3.32Å; F327-P331 VanDerWaalsContact O-CG 3.31Å; F327-P331 WeakPolarHBondContact O-CG 3.23Å; P331-G335 PolarHBondContact O-N 2.81Å; P331-A496 HydrophobicContact CB-CB 4.03Å; P331-A496 WeakPolarHBondContact O-CB 2.97Å; P331-M499 HydrophobicContact CB-SD 3.96Å |
| 332 | F | 92.1 | Very high | 89.4 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 171.7 | 176.5 | -149 | 0 | 0 | 0 | 111.6 | F328 F329 V330 G335 M336 I365 S369 M499 I503 | F328-F332 HydrophobicContact CE1-CD1 4.33Å; F328-F332 VanDerWaalsContact O-CB 3.24Å; F328-F332 WeakPolarHBondContact O-CB 3.49Å; F328-F332 PolarHBondContact O-N 3.4Å; F329-F332 HydrophobicContact CD1-CD1 4.02Å; F329-F332 HydrophobicContact CE1-CD1 4.33Å; F329-F332 HydrophobicContact CE1-CE1 4.47Å; V330-F332 VanDerWaalsContact C-N 3.28Å; V330-F332 PolarHBondContact O-N 3.47Å; F332-G335 PolarHBondContact O-N 3.08Å; F332-M336 HydrophobicContact CD2-CG 3.51Å; F332-M336 HydrophobicContact CD2-SD 4.48Å; F332-M336 HydrophobicContact CE2-CG 3.23Å; F332-M336 HydrophobicContact CE2-SD 3.87Å; F332-M336 HydrophobicContact CZ-CG 4.12Å; F332-M336 WeakPolarHBondContact O-CB 3.43Å; F332-M336 VanDerWaalsContact O-CG 3.3Å; F332-M336 WeakPolarHBondContact O-CG 3.49Å; F332-M336 PolarHBondContact O-N 3.49Å; F332-I365 HydrophobicContact CZ-CG2 3.85Å; F332-S369 VanDerWaalsContact CD1-CB 3.45Å; F332-M499 HydrophobicContact CB-CE 4Å; F332-M499 HydrophobicContact CB-SD 4.18Å; F332-I503 HydrophobicContact CB-CD1 4.47Å; F332-I503 HydrophobicContact CD2-CB 4.29Å; F332-I503 HydrophobicContact CD2-CD1 3.52Å; F332-I503 HydrophobicContact CD2-CG1 4.49Å; F332-I503 HydrophobicContact CD2-CG2 4.22Å; F332-I503 HydrophobicContact CE2-CB 3.9Å; F332-I503 HydrophobicContact CE2-CD1 3.84Å; F332-I503 HydrophobicContact CE2-CG1 4.48Å; F332-I503 HydrophobicContact CE2-CG2 3.41Å; F332-I503 VanDerWaalsContact CE2-CG2 3.41Å; F332-I503 HydrophobicContact CG-CD1 3.98Å; F332-I503 HydrophobicContact CZ-CG2 3.81Å |
| 333 | S | 92 | Very high | 89.8 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | F329 V330 G335 M336 V337 S369 F370 | F329-S333 WeakPolarHBondContact O-CB 3.46Å; F329-S333 PolarHBondContact O-N 3.24Å; F329-S333 PolarHBondContact O-OG 2.8Å; V330-S333 PolarHBondContact O-N 3.02Å; V330-S333 VanDerWaalsContact O-N 3.1Å; S333-G335 VanDerWaalsContact C-N 3.3Å; S333-G335 PolarHBondContact O-N 3Å; S333-M336 PolarHBondContact O-N 3.47Å; S333-V337 PolarHBondContact O-N 2.84Å; S333-S369 VanDerWaalsContact OG-CB 3.32Å; S333-S369 WeakPolarHBondContact OG-CB 2.97Å; S333-S369 PolarHBondContact OG-O 2.92Å; S333-S369 PolarHBondContact OG-OG 2.85Å; S333-F370 PolarHBondContact OG-N 2.95Å |
| 334 | I | 92.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 175.9 | -64.4 | 162.5 | 0 | 0 | 0 | 111.1 | V330 V337 M445 A448 I493 A496 | V330-I334 HydrophobicContact CG1-CD1 3.83Å; V330-I334 WeakPolarHBondContact O-CG1 3.33Å; V330-I334 PolarHBondContact O-N 3.12Å; I334-V337 WeakPolarHBondContact O-CG1 3.42Å; I334-M445 HydrophobicContact CG2-CG 4.33Å; I334-A448 HydrophobicContact CD1-CB 3.94Å; I334-I493 HydrophobicContact CG2-CD1 4.14Å; I334-A496 HydrophobicContact CB-CB 4.02Å; I334-A496 HydrophobicContact CG2-CB 3.86Å |
| 335 | G | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.5 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P331 F332 S333 V339 A496 | P331-G335 PolarHBondContact O-N 2.81Å; F332-G335 PolarHBondContact O-N 3.08Å; S333-G335 VanDerWaalsContact C-N 3.3Å; S333-G335 PolarHBondContact O-N 3Å; G335-V339 WeakPolarHBondContact O-CG2 3.4Å; G335-V339 PolarHBondContact O-N 2.97Å; G335-A496 WeakPolarHBondContact CA-O 3.35Å |
| 336 | M | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.2 | -38.3 | -176.2 | -79.7 | -55.3 | -45.6 | 0 | 0 | 113.5 | F332 S333 L338 V339 V340 W362 F366 A504 | F332-M336 HydrophobicContact CD2-CG 3.51Å; F332-M336 HydrophobicContact CD2-SD 4.48Å; F332-M336 HydrophobicContact CE2-CG 3.23Å; F332-M336 HydrophobicContact CE2-SD 3.87Å; F332-M336 HydrophobicContact CZ-CG 4.12Å; F332-M336 WeakPolarHBondContact O-CB 3.43Å; F332-M336 VanDerWaalsContact O-CG 3.3Å; F332-M336 WeakPolarHBondContact O-CG 3.49Å; F332-M336 PolarHBondContact O-N 3.49Å; S333-M336 PolarHBondContact O-N 3.47Å; M336-L338 VanDerWaalsContact C-N 3.27Å; M336-L338 PolarHBondContact O-N 3.38Å; M336-V339 HydrophobicContact CE-CB 4.29Å; M336-V339 HydrophobicContact CE-CG1 4.3Å; M336-V339 WeakPolarHBondContact O-CB 3.25Å; M336-V339 PolarHBondContact O-N 3.45Å; M336-V339 VanDerWaalsContact O-N 3.08Å; M336-V340 WeakPolarHBondContact O-CG2 3.3Å; M336-V340 PolarHBondContact O-N 3.09Å; M336-W362 HydrophobicContact CE-CB 3.81Å; M336-W362 HydrophobicContact CE-CD2 3.91Å; M336-W362 HydrophobicContact CE-CE3 3.44Å; M336-W362 VanDerWaalsContact CE-CE3 3.44Å; M336-W362 HydrophobicContact CE-CG 4.1Å; M336-W362 HydrophobicContact CE-CZ3 4.3Å; M336-W362 HydrophobicContact SD-CE3 4.36Å; M336-F366 HydrophobicContact CB-CB 4.14Å; M336-A504 HydrophobicContact CE-CB 4.43Å; M336-A504 HydrophobicContact SD-CB 4.06Å |
| 337 | V | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 178.9 | 70 | 0 | 0 | 0 | 0 | 111.4 | S333 I334 V340 A341 F366 I437 V440 T441 | S333-V337 PolarHBondContact O-N 2.84Å; I334-V337 WeakPolarHBondContact O-CG1 3.42Å; V337-V340 PolarHBondContact O-N 3.46Å; V337-A341 WeakPolarHBondContact O-CB 3.3Å; V337-A341 PolarHBondContact O-N 3.28Å; V337-F366 HydrophobicContact CB-CD1 4.42Å; V337-F366 HydrophobicContact CB-CD2 4.05Å; V337-F366 HydrophobicContact CB-CE1 4.11Å; V337-F366 HydrophobicContact CB-CE2 3.74Å; V337-F366 HydrophobicContact CB-CG 4.4Å; V337-F366 HydrophobicContact CB-CZ 3.77Å; V337-F366 HydrophobicContact CG2-CD1 4.33Å; V337-F366 HydrophobicContact CG2-CE1 3.72Å; V337-F366 HydrophobicContact CG2-CE2 4.16Å; V337-F366 HydrophobicContact CG2-CZ 3.64Å; V337-I437 HydrophobicContact CG2-CD1 3.6Å; V337-I437 HydrophobicContact CG2-CG1 4.15Å; V337-V440 HydrophobicContact CG2-CB 4.18Å; V337-V440 HydrophobicContact CG2-CG1 3.75Å; V337-T441 HydrophobicContact CG1-CG2 4.24Å |
| 338 | L | 93.8 | Very high | 91.5 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 12% | 0.12 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 172.6 | -179.5 | 66.7 | 0 | 0 | 0 | 112.1 | M336 V340 A341 I342 W438 T441 I497 | M336-L338 VanDerWaalsContact C-N 3.27Å; M336-L338 PolarHBondContact O-N 3.38Å; L338-V340 VanDerWaalsContact C-N 3.34Å; L338-V340 PolarHBondContact O-N 2.74Å; L338-A341 PolarHBondContact O-N 3.49Å; L338-I342 HydrophobicContact CD1-CD1 4.3Å; L338-I342 HydrophobicContact CD1-CG1 4.5Å; L338-I342 HydrophobicContact CG-CD1 4.01Å; L338-I342 WeakPolarHBondContact O-CB 3.48Å; L338-I342 VanDerWaalsContact O-CG1 3.26Å; L338-I342 WeakPolarHBondContact O-CG1 3.38Å; L338-I342 PolarHBondContact O-N 2.82Å; L338-W438 HydrophobicContact CD1-CH2 3.76Å; L338-W438 HydrophobicContact CD1-CZ3 3.62Å; L338-T441 HydrophobicContact CB-CG2 4.06Å; L338-T441 HydrophobicContact CD1-CG2 3.97Å; L338-I497 HydrophobicContact CD2-CD1 3.96Å; L338-I497 HydrophobicContact CD2-CG1 3.74Å; L338-I497 HydrophobicContact CD2-CG2 4.26Å |
| 339 | V | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 111 | G335 M336 I342 M343 A504 I530 V534 | G335-V339 WeakPolarHBondContact O-CG2 3.4Å; G335-V339 PolarHBondContact O-N 2.97Å; M336-V339 HydrophobicContact CE-CB 4.29Å; M336-V339 HydrophobicContact CE-CG1 4.3Å; M336-V339 WeakPolarHBondContact O-CB 3.25Å; M336-V339 PolarHBondContact O-N 3.45Å; M336-V339 VanDerWaalsContact O-N 3.08Å; V339-I342 PolarHBondContact O-N 3.49Å; V339-M343 HydrophobicContact CG1-CE 3.53Å; V339-M343 HydrophobicContact CG1-SD 4.06Å; V339-M343 VanDerWaalsContact O-CG 3.29Å; V339-M343 WeakPolarHBondContact O-CG 3.43Å; V339-M343 PolarHBondContact O-N 3.4Å; V339-A504 HydrophobicContact CG1-CB 4.21Å; V339-I530 HydrophobicContact CG1-CG2 4.42Å; V339-V534 HydrophobicContact CG2-CB 4.48Å; V339-V534 HydrophobicContact CG2-CG1 4.1Å; V339-V534 HydrophobicContact CG2-CG2 4.37Å |
| 340 | V | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | M336 V337 L338 I342 M343 E344 A359 W362 W421 I437 | M336-V340 WeakPolarHBondContact O-CG2 3.3Å; M336-V340 PolarHBondContact O-N 3.09Å; V337-V340 PolarHBondContact O-N 3.46Å; L338-V340 VanDerWaalsContact C-N 3.34Å; L338-V340 PolarHBondContact O-N 2.74Å; V340-I342 VanDerWaalsContact C-N 3.33Å; V340-I342 PolarHBondContact O-N 3.47Å; V340-M343 PolarHBondContact O-N 3.21Å; V340-M343 VanDerWaalsContact O-N 3.16Å; V340-E344 PolarHBondContact O-N 3.03Å; V340-A359 HydrophobicContact CG1-CB 4.44Å; V340-W362 HydrophobicContact CG2-CB 3.7Å; V340-W421 HydrophobicContact CG1-CH2 3.91Å; V340-W421 HydrophobicContact CG1-CZ2 3.68Å; V340-I437 HydrophobicContact CB-CG1 4.47Å; V340-I437 HydrophobicContact CG1-CD1 4.17Å; V340-I437 HydrophobicContact CG1-CG1 4.06Å |
| 341 | A | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V337 L338 T345 I437 W438 | V337-A341 WeakPolarHBondContact O-CB 3.3Å; V337-A341 PolarHBondContact O-N 3.28Å; L338-A341 PolarHBondContact O-N 3.49Å; A341-T345 VanDerWaalsContact O-CB 3.25Å; A341-T345 WeakPolarHBondContact O-CB 3.45Å; A341-T345 PolarHBondContact O-N 3.05Å; A341-T345 PolarHBondContact O-OG1 3.24Å; A341-I437 HydrophobicContact CB-CG1 4.07Å; A341-I437 HydrophobicContact CB-CG2 3.91Å; A341-W438 HydrophobicContact CB-CD2 4.03Å; A341-W438 HydrophobicContact CB-CE3 4.35Å; A341-W438 HydrophobicContact CB-CG 4.43Å; A341-W438 HydrophobicContact CB-CZ2 4.21Å |
| 342 | I | 92.3 | Very high | 90.7 | Very high | 49 Ų | 49 | 36.8 Ų | 36.8 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 172.7 | -70.5 | 165.4 | 0 | 0 | 0 | 110.7 | L338 V339 V340 T345 L346 I530 V534 | L338-I342 HydrophobicContact CD1-CD1 4.3Å; L338-I342 HydrophobicContact CD1-CG1 4.5Å; L338-I342 HydrophobicContact CG-CD1 4.01Å; L338-I342 WeakPolarHBondContact O-CB 3.48Å; L338-I342 VanDerWaalsContact O-CG1 3.26Å; L338-I342 WeakPolarHBondContact O-CG1 3.38Å; L338-I342 PolarHBondContact O-N 2.82Å; V339-I342 PolarHBondContact O-N 3.49Å; V340-I342 VanDerWaalsContact C-N 3.33Å; V340-I342 PolarHBondContact O-N 3.47Å; I342-T345 PolarHBondContact O-N 2.99Å; I342-L346 HydrophobicContact CG2-CD1 4.17Å; I342-L346 WeakPolarHBondContact O-CG 3.41Å; I342-L346 PolarHBondContact O-N 3.21Å; I342-I530 HydrophobicContact CG2-CG2 4.32Å; I342-V534 HydrophobicContact CD1-CG2 3.92Å |
| 343 | M | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 178.6 | -72.6 | 172.2 | 179.5 | 0 | 0 | 112.2 | V339 V340 L346 Y347 L358 A359 W362 I530 | V339-M343 HydrophobicContact CG1-CE 3.53Å; V339-M343 HydrophobicContact CG1-SD 4.06Å; V339-M343 VanDerWaalsContact O-CG 3.29Å; V339-M343 WeakPolarHBondContact O-CG 3.43Å; V339-M343 PolarHBondContact O-N 3.4Å; V340-M343 PolarHBondContact O-N 3.21Å; V340-M343 VanDerWaalsContact O-N 3.16Å; M343-L346 WeakPolarHBondContact O-CB 3.25Å; M343-L346 PolarHBondContact O-N 3.01Å; M343-Y347 PolarHBondContact O-N 3.43Å; M343-L358 HydrophobicContact CB-CB 4.49Å; M343-L358 HydrophobicContact CG-CB 4.35Å; M343-L358 HydrophobicContact SD-CB 3.84Å; M343-A359 HydrophobicContact CB-CB 4.19Å; M343-W362 HydrophobicContact CE-CG 4.36Å; M343-W362 HydrophobicContact SD-CB 4.35Å; M343-W362 HydrophobicContact SD-CG 4.08Å; M343-I530 HydrophobicContact CE-CB 4.1Å; M343-I530 HydrophobicContact CE-CD1 4.03Å; M343-I530 HydrophobicContact CE-CG2 3.91Å; M343-I530 HydrophobicContact CG-CD1 3.89Å; M343-I530 HydrophobicContact CG-CG2 4.45Å |
| 344 | E | 92.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.6 | -37.1 | 176.4 | -167.8 | 179.3 | 157.5 | 0 | 0 | 112 | V340 L346 Y347 V348 A359 W421 H433 V434 | V340-E344 PolarHBondContact O-N 3.03Å; E344-L346 VanDerWaalsContact C-N 3.28Å; E344-L346 PolarHBondContact O-N 3.25Å; E344-Y347 HydrophobicContact CG-CD1 4.33Å; E344-Y347 WeakPolarHBondContact O-CA 3.25Å; E344-Y347 WeakPolarHBondContact O-CB 3.25Å; E344-Y347 PolarHBondContact O-N 3.34Å; E344-Y347 VanDerWaalsContact O-N 3.07Å; E344-V348 WeakPolarHBondContact O-CG2 3.36Å; E344-V348 PolarHBondContact O-N 2.87Å; E344-A359 HydrophobicContact CB-CB 4.02Å; E344-W421 PolarHBondContact OE2-NE1 2.99Å; E344-H433 VanDerWaalsContact OE1-C 3.32Å; E344-H433 IonicContact OE1-CE1 2.76Å; E344-H433 IonicContact OE1-CG 3.88Å; E344-H433 IonicContact OE1-ND1 3.66Å; E344-H433 PolarHBondContact OE1-ND1 3.34Å; E344-H433 IonicContact OE2-ND1 3.93Å; E344-H433 PolarHBondContact OE2-ND1 2.89Å; E344-V434 HydrophobicContact CB-CG2 3.98Å; E344-V434 HydrophobicContact CG-CB 4.05Å; E344-V434 HydrophobicContact CG-CG2 3.86Å; E344-V434 VanDerWaalsContact OE1-CA 3.29Å; E344-V434 WeakPolarHBondContact OE1-CA 3.26Å; E344-V434 PolarHBondContact OE1-N 3.15Å |
| 345 | T | 92.8 | Very high | 89.5 | Confident | 50 Ų | 50 | 45.4 Ų | 45.4 | 31% | 0.307 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 172.8 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | A341 I342 K349 W438 | A341-T345 VanDerWaalsContact O-CB 3.25Å; A341-T345 WeakPolarHBondContact O-CB 3.45Å; A341-T345 PolarHBondContact O-N 3.05Å; A341-T345 PolarHBondContact O-OG1 3.24Å; I342-T345 PolarHBondContact O-N 2.99Å; T345-K349 WeakPolarHBondContact O-CB 3.29Å; T345-K349 PolarHBondContact O-N 2.98Å; T345-W438 PolarHBondContact OG1-NE1 2.88Å |
| 346 | L | 88.7 | Confident | 89.3 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 172.3 | -70.9 | 170 | 0 | 0 | 0 | 112 | I342 M343 E344 T350 Y355 I530 | I342-L346 HydrophobicContact CG2-CD1 4.17Å; I342-L346 WeakPolarHBondContact O-CG 3.41Å; I342-L346 PolarHBondContact O-N 3.21Å; M343-L346 WeakPolarHBondContact O-CB 3.25Å; M343-L346 PolarHBondContact O-N 3.01Å; E344-L346 VanDerWaalsContact C-N 3.28Å; E344-L346 PolarHBondContact O-N 3.25Å; L346-T350 VanDerWaalsContact O-CB 3.3Å; L346-T350 WeakPolarHBondContact O-CB 3.38Å; L346-T350 WeakPolarHBondContact O-CG2 3.47Å; L346-T350 PolarHBondContact O-N 3.49Å; L346-T350 PolarHBondContact O-OG1 3.48Å; L346-Y355 HydrophobicContact CB-CD1 3.87Å; L346-Y355 HydrophobicContact CB-CD2 3.98Å; L346-Y355 HydrophobicContact CB-CE1 4.08Å; L346-Y355 HydrophobicContact CB-CE2 4.19Å; L346-Y355 HydrophobicContact CB-CG 3.84Å; L346-Y355 HydrophobicContact CD1-CD1 4.2Å; L346-Y355 HydrophobicContact CD1-CE1 3.85Å; L346-I530 HydrophobicContact CD1-CD1 4.01Å |
| 347 | Y | 89.9 | Confident | 88.9 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.6 | -54.6 | 171.4 | 162.9 | -119.9 | 0 | 0 | 0 | 111.7 | M343 E344 K349 T350 K351 R356 | M343-Y347 PolarHBondContact O-N 3.43Å; E344-Y347 HydrophobicContact CG-CD1 4.33Å; E344-Y347 WeakPolarHBondContact O-CA 3.25Å; E344-Y347 WeakPolarHBondContact O-CB 3.25Å; E344-Y347 PolarHBondContact O-N 3.34Å; E344-Y347 VanDerWaalsContact O-N 3.07Å; Y347-K349 VanDerWaalsContact C-N 3.31Å; Y347-K349 PolarHBondContact O-N 2.61Å; Y347-T350 PolarHBondContact O-N 2.87Å; Y347-K351 VanDerWaalsContact O-CA 3.26Å; Y347-K351 WeakPolarHBondContact O-CA 3.47Å; Y347-K351 PolarHBondContact O-N 3.4Å; Y347-R356 HydrophobicContact CD1-CB 4.2Å; Y347-R356 HydrophobicContact CD1-CG 4.19Å; Y347-R356 HydrophobicContact CD2-CB 3.7Å; Y347-R356 HydrophobicContact CD2-CG 4.37Å; Y347-R356 HydrophobicContact CE1-CB 4.35Å; Y347-R356 HydrophobicContact CE1-CG 4Å; Y347-R356 HydrophobicContact CE2-CB 3.86Å; Y347-R356 HydrophobicContact CE2-CG 4.19Å; Y347-R356 HydrophobicContact CG-CB 3.87Å; Y347-R356 HydrophobicContact CG-CG 4.37Å |
| 348 | V | 89.3 | Confident | 88.6 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 30% | 0.297 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | -178 | 177 | 0 | 0 | 0 | 0 | 111.7 | E344 P430 V434 | E344-V348 WeakPolarHBondContact O-CG2 3.36Å; E344-V348 PolarHBondContact O-N 2.87Å; V348-P430 HydrophobicContact CG2-CB 3.92Å; V348-V434 HydrophobicContact CG2-CB 4.08Å; V348-V434 HydrophobicContact CG2-CG1 4.11Å |
| 349 | K | 87.2 | Confident | 88.4 | Confident | 178 Ų | 178 | 51.5 Ų | 51.5 | 77% | 0.774 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -75 | -37 | -179.8 | -172.6 | 173.9 | -179 | 177 | 0 | 113.9 | T345 Y347 | T345-K349 WeakPolarHBondContact O-CB 3.29Å; T345-K349 PolarHBondContact O-N 2.98Å; Y347-K349 VanDerWaalsContact C-N 3.31Å; Y347-K349 PolarHBondContact O-N 2.61Å |
| 350 | T | 84.8 | Confident | 88.2 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -100.4 | -14.8 | -175.3 | 66.7 | 0 | 0 | 0 | 0 | 114.4 | L346 Y347 N352 Y355 | L346-T350 VanDerWaalsContact O-CB 3.3Å; L346-T350 WeakPolarHBondContact O-CB 3.38Å; L346-T350 WeakPolarHBondContact O-CG2 3.47Å; L346-T350 PolarHBondContact O-N 3.49Å; L346-T350 PolarHBondContact O-OG1 3.48Å; Y347-T350 PolarHBondContact O-N 2.87Å; T350-N352 PolarHBondContact O-N 3.13Å; T350-N352 WeakPolarHBondContact OG1-CB 3.15Å; T350-N352 PolarHBondContact OG1-N 3.48Å; T350-Y355 HydrophobicContact CG2-CE2 4.25Å; T350-Y355 WeakPolarHBondContact OG1-CD2 3.47Å |
| 351 | K | 81.8 | Confident | 87.9 | Confident | 182 Ų | 182 | 59.2 Ų | 59.2 | 79% | 0.791 | 28% | 0.279 | S | S | * | . | trans | 54.6 | 22 | -169 | -57.4 | -174.8 | 178.4 | -178 | 0 | 114.4 | Y347 | Y347-K351 VanDerWaalsContact O-CA 3.26Å; Y347-K351 WeakPolarHBondContact O-CA 3.47Å; Y347-K351 PolarHBondContact O-N 3.4Å | ||
| 352 | N | 82.9 | Confident | 87.8 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | trans | -90.9 | 109.6 | 179.6 | -173.1 | -25.8 | 0 | 0 | 0 | 110.6 | T350 K354 Y355 | T350-N352 PolarHBondContact O-N 3.13Å; T350-N352 WeakPolarHBondContact OG1-CB 3.15Å; T350-N352 PolarHBondContact OG1-N 3.48Å; N352-K354 PolarHBondContact O-N 2.88Å; N352-K354 WeakPolarHBondContact OD1-CB 3.45Å; N352-K354 PolarHBondContact OD1-N 2.71Å; N352-K354 VanDerWaalsContact OD1-N 3.09Å; N352-Y355 HydrophobicContact CB-CD2 3.95Å; N352-Y355 HydrophobicContact CB-CE2 4.32Å; N352-Y355 PolarHBondContact O-N 3.38Å | ||
| 353 | E | 83.9 | Confident | 87.6 | Confident | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.2 | -23.7 | -179.8 | -76 | -67.6 | 160.6 | 0 | 0 | 114.5 | Y355 R356 Q357 | E353-Y355 PolarHBondContact O-N 2.75Å; E353-R356 VanDerWaalsContact O-CB 3.29Å; E353-R356 WeakPolarHBondContact O-CB 3.45Å; E353-R356 PolarHBondContact O-N 2.86Å; E353-R356 IonicContact OE1-NH1 3.73Å; E353-R356 PolarHBondContact OE1-NH1 3.08Å; E353-R356 WeakPolarHBondContact OE2-CD 3.14Å; E353-R356 IonicContact OE2-NE 3.71Å; E353-R356 IonicContact OE2-NH1 3.93Å; E353-Q357 WeakPolarHBondContact O-CG 3.45Å; E353-Q357 PolarHBondContact O-N 3.27Å |
| 354 | K | 80.5 | Confident | 87.5 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -32.2 | 174.1 | -62.3 | -172.4 | -173.6 | -178.8 | 0 | 112.4 | N352 L358 E522 | N352-K354 PolarHBondContact O-N 2.88Å; N352-K354 WeakPolarHBondContact OD1-CB 3.45Å; N352-K354 PolarHBondContact OD1-N 2.71Å; N352-K354 VanDerWaalsContact OD1-N 3.09Å; K354-L358 WeakPolarHBondContact O-CG 3.44Å; K354-L358 PolarHBondContact O-N 3.34Å; K354-E522 WeakPolarHBondContact CD-OE1 3.48Å; K354-E522 IonicContact NZ-OE1 3.97Å; K354-E522 PolarHBondContact NZ-OE1 2.87Å; K354-E522 IonicContact NZ-OE2 2.89Å; K354-E522 PolarHBondContact NZ-OE2 2.96Å |
| 355 | Y | 86.8 | Confident | 87.4 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 17% | 0.173 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.3 | -28.9 | 173.8 | -70 | -60.2 | 0 | 0 | 0 | 112.7 | L346 T350 N352 E353 L358 A359 I530 | L346-Y355 HydrophobicContact CB-CD1 3.87Å; L346-Y355 HydrophobicContact CB-CD2 3.98Å; L346-Y355 HydrophobicContact CB-CE1 4.08Å; L346-Y355 HydrophobicContact CB-CE2 4.19Å; L346-Y355 HydrophobicContact CB-CG 3.84Å; L346-Y355 HydrophobicContact CD1-CD1 4.2Å; L346-Y355 HydrophobicContact CD1-CE1 3.85Å; T350-Y355 HydrophobicContact CG2-CE2 4.25Å; T350-Y355 WeakPolarHBondContact OG1-CD2 3.47Å; N352-Y355 HydrophobicContact CB-CD2 3.95Å; N352-Y355 HydrophobicContact CB-CE2 4.32Å; N352-Y355 PolarHBondContact O-N 3.38Å; E353-Y355 PolarHBondContact O-N 2.75Å; Y355-L358 HydrophobicContact CD1-CD1 3.97Å; Y355-L358 HydrophobicContact CE1-CD1 4.47Å; Y355-L358 PolarHBondContact O-N 3.47Å; Y355-A359 WeakPolarHBondContact O-CB 3.34Å; Y355-A359 PolarHBondContact O-N 3.25Å; Y355-I530 HydrophobicContact CD1-CD1 4.46Å; Y355-I530 HydrophobicContact CE1-CD1 4.1Å |
| 356 | R | 87.6 | Confident | 87.3 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 173.3 | -165.2 | -167.9 | -176.9 | 168.4 | -2 | 111.4 | Y347 E353 L358 A359 K360 W425 D426 | Y347-R356 HydrophobicContact CD1-CB 4.2Å; Y347-R356 HydrophobicContact CD1-CG 4.19Å; Y347-R356 HydrophobicContact CD2-CB 3.7Å; Y347-R356 HydrophobicContact CD2-CG 4.37Å; Y347-R356 HydrophobicContact CE1-CB 4.35Å; Y347-R356 HydrophobicContact CE1-CG 4Å; Y347-R356 HydrophobicContact CE2-CB 3.86Å; Y347-R356 HydrophobicContact CE2-CG 4.19Å; Y347-R356 HydrophobicContact CG-CB 3.87Å; Y347-R356 HydrophobicContact CG-CG 4.37Å; E353-R356 VanDerWaalsContact O-CB 3.29Å; E353-R356 WeakPolarHBondContact O-CB 3.45Å; E353-R356 PolarHBondContact O-N 2.86Å; E353-R356 IonicContact OE1-NH1 3.73Å; E353-R356 PolarHBondContact OE1-NH1 3.08Å; E353-R356 WeakPolarHBondContact OE2-CD 3.14Å; E353-R356 IonicContact OE2-NE 3.71Å; E353-R356 IonicContact OE2-NH1 3.93Å; R356-L358 VanDerWaalsContact C-N 3.33Å; R356-A359 PolarHBondContact O-N 3.07Å; R356-K360 PolarHBondContact O-N 3.32Å; R356-W425 HydrophobicContact CG-CH2 4.05Å; R356-W425 HydrophobicContact CG-CZ3 3.66Å; R356-D426 IonicContact CZ-OD1 3.53Å; R356-D426 IonicContact CZ-OD2 2.76Å; R356-D426 IonicContact NH1-OD1 3.47Å; R356-D426 IonicContact NH2-OD1 3.98Å; R356-D426 PolarHBondContact NH2-OD1 2.81Å; R356-D426 IonicContact NH2-OD2 3.47Å; R356-D426 PolarHBondContact NH2-OD2 3.43Å |
| 357 | Q | 85.5 | Confident | 87.4 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 173.6 | -67.5 | 173.2 | -17 | 0 | 0 | 111.1 | E353 F361 F523 | E353-Q357 WeakPolarHBondContact O-CG 3.45Å; E353-Q357 PolarHBondContact O-N 3.27Å; Q357-F361 VanDerWaalsContact O-CB 3.32Å; Q357-F361 WeakPolarHBondContact O-CB 3.44Å; Q357-F361 PolarHBondContact O-N 3.4Å; Q357-F523 HydrophobicContact CB-CE2 3.78Å |
| 358 | L | 87.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 173.1 | -77.6 | 165.8 | 0 | 0 | 0 | 111.8 | M343 K354 Y355 R356 K360 F361 W362 F523 K526 | M343-L358 HydrophobicContact CB-CB 4.49Å; M343-L358 HydrophobicContact CG-CB 4.35Å; M343-L358 HydrophobicContact SD-CB 3.84Å; K354-L358 WeakPolarHBondContact O-CG 3.44Å; K354-L358 PolarHBondContact O-N 3.34Å; Y355-L358 HydrophobicContact CD1-CD1 3.97Å; Y355-L358 HydrophobicContact CE1-CD1 4.47Å; Y355-L358 PolarHBondContact O-N 3.47Å; R356-L358 VanDerWaalsContact C-N 3.33Å; L358-K360 PolarHBondContact O-N 3.36Å; L358-F361 PolarHBondContact O-N 3.05Å; L358-W362 VanDerWaalsContact O-CD1 3.24Å; L358-W362 PolarHBondContact O-N 3.02Å; L358-F523 HydrophobicContact CB-CE2 4.33Å; L358-F523 HydrophobicContact CD2-CD1 4.17Å; L358-F523 HydrophobicContact CD2-CD2 4.03Å; L358-F523 HydrophobicContact CD2-CE1 3.82Å; L358-F523 HydrophobicContact CD2-CE2 3.67Å; L358-F523 HydrophobicContact CD2-CG 4.27Å; L358-F523 HydrophobicContact CD2-CZ 3.57Å; L358-F523 HydrophobicContact CG-CD2 4.01Å; L358-F523 HydrophobicContact CG-CE2 3.62Å; L358-F523 HydrophobicContact CG-CZ 3.99Å; L358-K526 HydrophobicContact CD1-CB 4.26Å |
| 359 | A | 89.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V340 M343 E344 Y355 R356 G363 | V340-A359 HydrophobicContact CG1-CB 4.44Å; M343-A359 HydrophobicContact CB-CB 4.19Å; E344-A359 HydrophobicContact CB-CB 4.02Å; Y355-A359 WeakPolarHBondContact O-CB 3.34Å; Y355-A359 PolarHBondContact O-N 3.25Å; R356-A359 PolarHBondContact O-N 3.07Å; A359-G363 WeakPolarHBondContact O-CA 3.46Å; A359-G363 PolarHBondContact O-N 2.86Å |
| 360 | K | 88.2 | Confident | 87.3 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 173.5 | -75.9 | -167.7 | 170.1 | -168.9 | 0 | 112.7 | R356 L358 G363 N364 W425 | R356-K360 PolarHBondContact O-N 3.32Å; L358-K360 PolarHBondContact O-N 3.36Å; K360-G363 PolarHBondContact O-N 3.24Å; K360-N364 PolarHBondContact O-N 3.27Å; K360-N364 PolarHBondContact O-OD1 3.1Å; K360-W425 HydrophobicContact CD-CD2 4.44Å; K360-W425 HydrophobicContact CD-CZ2 4.46Å; K360-W425 VanDerWaalsContact CE-CE2 3.48Å; K360-W425 VanDerWaalsContact CE-CE3 3.49Å; K360-W425 HydrophobicContact CG-CD2 4.42Å; K360-W425 HydrophobicContact CG-CH2 4.01Å; K360-W425 HydrophobicContact CG-CZ2 3.59Å |
| 361 | F | 88.8 | Confident | 87.3 | Confident | 80 Ų | 80 | 52.9 Ų | 52.9 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.2 | -51.9 | -179.9 | 176.8 | -95.6 | 0 | 0 | 0 | 112 | Q357 L358 G363 N364 I365 F523 F524 | Q357-F361 VanDerWaalsContact O-CB 3.32Å; Q357-F361 WeakPolarHBondContact O-CB 3.44Å; Q357-F361 PolarHBondContact O-N 3.4Å; L358-F361 PolarHBondContact O-N 3.05Å; F361-G363 VanDerWaalsContact C-N 3.29Å; F361-G363 PolarHBondContact O-N 3.23Å; F361-N364 PolarHBondContact O-N 2.84Å; F361-I365 HydrophobicContact CE1-CG1 4.48Å; F361-I365 PolarHBondContact O-N 2.99Å; F361-F523 HydrophobicContact CB-CZ 3.95Å; F361-F523 HydrophobicContact CD1-CE1 4.33Å; F361-F523 HydrophobicContact CD1-CZ 4.45Å; F361-F523 HydrophobicContact CG-CE1 4.33Å; F361-F523 HydrophobicContact CG-CZ 4.17Å; F361-F524 HydrophobicContact CE1-CE1 4.2Å; F361-F524 HydrophobicContact CZ-CE1 4.23Å |
| 362 | W | 91.1 | Very high | 87.4 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.011 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.5 | -25.2 | 178 | -68.2 | 109 | 0 | 0 | 0 | 113 | M336 V340 M343 L358 I365 F366 A504 L507 A508 S527 | M336-W362 HydrophobicContact CE-CB 3.81Å; M336-W362 HydrophobicContact CE-CD2 3.91Å; M336-W362 HydrophobicContact CE-CE3 3.44Å; M336-W362 VanDerWaalsContact CE-CE3 3.44Å; M336-W362 HydrophobicContact CE-CG 4.1Å; M336-W362 HydrophobicContact CE-CZ3 4.3Å; M336-W362 HydrophobicContact SD-CE3 4.36Å; V340-W362 HydrophobicContact CG2-CB 3.7Å; M343-W362 HydrophobicContact CE-CG 4.36Å; M343-W362 HydrophobicContact SD-CB 4.35Å; M343-W362 HydrophobicContact SD-CG 4.08Å; L358-W362 VanDerWaalsContact O-CD1 3.24Å; L358-W362 PolarHBondContact O-N 3.02Å; W362-I365 HydrophobicContact CE3-CB 4.1Å; W362-I365 HydrophobicContact CE3-CG1 3.97Å; W362-I365 HydrophobicContact CE3-CG2 4.26Å; W362-I365 HydrophobicContact CZ3-CG1 4.26Å; W362-I365 HydrophobicContact CZ3-CG2 4.38Å; W362-I365 PolarHBondContact O-N 3.48Å; W362-F366 WeakPolarHBondContact O-CB 3.15Å; W362-F366 PolarHBondContact O-N 2.9Å; W362-A504 HydrophobicContact CH2-CB 4.35Å; W362-A504 HydrophobicContact CZ2-CB 4.47Å; W362-A504 HydrophobicContact CZ3-CB 4.41Å; W362-L507 HydrophobicContact CH2-CB 3.8Å; W362-L507 HydrophobicContact CH2-CD1 4.35Å; W362-L507 HydrophobicContact CZ3-CB 4.35Å; W362-L507 HydrophobicContact CZ3-CD1 4.06Å; W362-A508 HydrophobicContact CZ2-CB 4.48Å; W362-S527 WeakPolarHBondContact CZ2-OG 3.36Å; W362-S527 PolarHBondContact NE1-OG 3.41Å |
| 363 | G | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.8 | -51.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A359 K360 F361 I365 F366 L367 | A359-G363 WeakPolarHBondContact O-CA 3.46Å; A359-G363 PolarHBondContact O-N 2.86Å; K360-G363 PolarHBondContact O-N 3.24Å; F361-G363 VanDerWaalsContact C-N 3.29Å; F361-G363 PolarHBondContact O-N 3.23Å; G363-I365 VanDerWaalsContact C-N 3.3Å; G363-I365 PolarHBondContact O-N 2.95Å; G363-F366 WeakPolarHBondContact O-CB 3.43Å; G363-F366 PolarHBondContact O-N 2.91Å; G363-L367 VanDerWaalsContact O-CG 3.29Å; G363-L367 WeakPolarHBondContact O-CG 3.12Å; G363-L367 PolarHBondContact O-N 3.13Å |
| 364 | N | 89 | Confident | 87.5 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 43% | 0.428 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 178.1 | -69.5 | 8.3 | 0 | 0 | 0 | 112.3 | K360 F361 L367 L368 | K360-N364 PolarHBondContact O-N 3.27Å; K360-N364 PolarHBondContact O-OD1 3.1Å; F361-N364 PolarHBondContact O-N 2.84Å; N364-L367 PolarHBondContact O-N 2.84Å; N364-L368 WeakPolarHBondContact O-CG 3.35Å; N364-L368 PolarHBondContact O-N 3.12Å; N364-L368 VanDerWaalsContact O-N 3.13Å |
| 365 | I | 89.6 | Confident | 87.5 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 175 | -58.8 | -58.8 | 0 | 0 | 0 | 111.2 | F332 F361 W362 G363 L368 S369 | F332-I365 HydrophobicContact CZ-CG2 3.85Å; F361-I365 HydrophobicContact CE1-CG1 4.48Å; F361-I365 PolarHBondContact O-N 2.99Å; W362-I365 HydrophobicContact CE3-CB 4.1Å; W362-I365 HydrophobicContact CE3-CG1 3.97Å; W362-I365 HydrophobicContact CE3-CG2 4.26Å; W362-I365 HydrophobicContact CZ3-CG1 4.26Å; W362-I365 HydrophobicContact CZ3-CG2 4.38Å; W362-I365 PolarHBondContact O-N 3.48Å; G363-I365 VanDerWaalsContact C-N 3.3Å; G363-I365 PolarHBondContact O-N 2.95Å; I365-L368 PolarHBondContact O-N 3.01Å; I365-S369 PolarHBondContact O-N 2.84Å |
| 366 | F | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 174.7 | 160.1 | -122.2 | 0 | 0 | 0 | 112.4 | M336 V337 W362 G363 L368 S369 F370 L418 I437 V440 | M336-F366 HydrophobicContact CB-CB 4.14Å; V337-F366 HydrophobicContact CB-CD1 4.42Å; V337-F366 HydrophobicContact CB-CD2 4.05Å; V337-F366 HydrophobicContact CB-CE1 4.11Å; V337-F366 HydrophobicContact CB-CE2 3.74Å; V337-F366 HydrophobicContact CB-CG 4.4Å; V337-F366 HydrophobicContact CB-CZ 3.77Å; V337-F366 HydrophobicContact CG2-CD1 4.33Å; V337-F366 HydrophobicContact CG2-CE1 3.72Å; V337-F366 HydrophobicContact CG2-CE2 4.16Å; V337-F366 HydrophobicContact CG2-CZ 3.64Å; W362-F366 WeakPolarHBondContact O-CB 3.15Å; W362-F366 PolarHBondContact O-N 2.9Å; G363-F366 WeakPolarHBondContact O-CB 3.43Å; G363-F366 PolarHBondContact O-N 2.91Å; F366-L368 VanDerWaalsContact C-N 3.32Å; F366-L368 PolarHBondContact O-N 3.07Å; F366-S369 PolarHBondContact O-N 2.84Å; F366-S369 PolarHBondContact O-OG 3.32Å; F366-F370 HydrophobicContact CD2-CB 4.44Å; F366-F370 HydrophobicContact CE2-CB 4.11Å; F366-F370 HydrophobicContact CE2-CD2 4.48Å; F366-F370 WeakPolarHBondContact O-CB 3.11Å; F366-F370 PolarHBondContact O-N 3.42Å; F366-L418 HydrophobicContact CD1-CD1 4.5Å; F366-L418 HydrophobicContact CE1-CD1 3.54Å; F366-L418 HydrophobicContact CZ-CD1 4.09Å; F366-L418 HydrophobicContact CZ-CD2 4.49Å; F366-I437 HydrophobicContact CE1-CD1 4.33Å; F366-V440 HydrophobicContact CE1-CG1 4.29Å; F366-V440 HydrophobicContact CZ-CG1 3.87Å |
| 367 | L | 90.2 | Very high | 87.1 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 176.7 | -70.6 | 170.7 | 0 | 0 | 0 | 112.1 | G363 N364 A371 L418 I422 | G363-L367 VanDerWaalsContact O-CG 3.29Å; G363-L367 WeakPolarHBondContact O-CG 3.12Å; G363-L367 PolarHBondContact O-N 3.13Å; N364-L367 PolarHBondContact O-N 2.84Å; L367-A371 WeakPolarHBondContact O-CB 3.15Å; L367-A371 PolarHBondContact O-N 3.43Å; L367-A371 VanDerWaalsContact O-N 3.08Å; L367-L418 HydrophobicContact CD2-CD1 3.72Å; L367-L418 HydrophobicContact CD2-CD2 4.15Å; L367-L418 HydrophobicContact CD2-CG 4.09Å; L367-I422 HydrophobicContact CD1-CD1 4.31Å; L367-I422 HydrophobicContact CD1-CG1 4.08Å; L367-I422 HydrophobicContact CD2-CD1 3.61Å; L367-I422 HydrophobicContact CD2-CG1 3.96Å |
| 368 | L | 86.5 | Confident | 86.9 | Confident | 83 Ų | 83 | 38.3 Ų | 38.3 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68 | -42.8 | 174.5 | -70.9 | 167.5 | 0 | 0 | 0 | 111.8 | N364 I365 F366 V372 | N364-L368 WeakPolarHBondContact O-CG 3.35Å; N364-L368 PolarHBondContact O-N 3.12Å; N364-L368 VanDerWaalsContact O-N 3.13Å; I365-L368 PolarHBondContact O-N 3.01Å; F366-L368 VanDerWaalsContact C-N 3.32Å; F366-L368 PolarHBondContact O-N 3.07Å; L368-V372 PolarHBondContact O-N 2.78Å |
| 369 | S | 87.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 178.3 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | F332 S333 I365 F366 V372 G373 | F332-S369 VanDerWaalsContact CD1-CB 3.45Å; S333-S369 VanDerWaalsContact OG-CB 3.32Å; S333-S369 WeakPolarHBondContact OG-CB 2.97Å; S333-S369 PolarHBondContact OG-O 2.92Å; S333-S369 PolarHBondContact OG-OG 2.85Å; I365-S369 PolarHBondContact O-N 2.84Å; F366-S369 PolarHBondContact O-N 2.84Å; F366-S369 PolarHBondContact O-OG 3.32Å; S369-V372 PolarHBondContact O-N 2.88Å; S369-G373 PolarHBondContact O-N 3.12Å |
| 370 | F | 88.8 | Confident | 86.3 | Confident | 34 Ų | 34 | 43 Ų | 43 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 176.1 | 176.8 | -98.4 | 0 | 0 | 0 | 111.2 | S333 F366 V372 G373 V374 F411 E414 L418 | S333-F370 PolarHBondContact OG-N 2.95Å; F366-F370 HydrophobicContact CD2-CB 4.44Å; F366-F370 HydrophobicContact CE2-CB 4.11Å; F366-F370 HydrophobicContact CE2-CD2 4.48Å; F366-F370 WeakPolarHBondContact O-CB 3.11Å; F366-F370 PolarHBondContact O-N 3.42Å; F370-V372 VanDerWaalsContact C-N 3.33Å; F370-V372 PolarHBondContact O-N 2.86Å; F370-G373 PolarHBondContact O-N 3.34Å; F370-G373 VanDerWaalsContact O-N 3.14Å; F370-V374 HydrophobicContact CD1-CG2 4.28Å; F370-V374 HydrophobicContact CD2-CG2 4.48Å; F370-V374 HydrophobicContact CE1-CG2 3.89Å; F370-V374 HydrophobicContact CE2-CG2 4.1Å; F370-V374 HydrophobicContact CZ-CG2 3.79Å; F370-V374 WeakPolarHBondContact O-CG2 3.05Å; F370-V374 PolarHBondContact O-N 3.31Å; F370-F411 HydrophobicContact CE2-CE2 4.38Å; F370-F411 AromaticContact CZ-CE2 3.81Å; F370-F411 HydrophobicContact CZ-CE2 3.81Å; F370-E414 HydrophobicContact CE2-CG 4.22Å; F370-L418 HydrophobicContact CD1-CD2 3.74Å; F370-L418 HydrophobicContact CE1-CD2 3.63Å; F370-L418 HydrophobicContact CE2-CD2 4.44Å; F370-L418 HydrophobicContact CG-CD2 4.2Å; F370-L418 HydrophobicContact CZ-CD2 4Å |
| 371 | A | 86.3 | Confident | 85.8 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L367 V375 | L367-A371 WeakPolarHBondContact O-CB 3.15Å; L367-A371 PolarHBondContact O-N 3.43Å; L367-A371 VanDerWaalsContact O-N 3.08Å; A371-V375 WeakPolarHBondContact O-CG2 3.4Å; A371-V375 PolarHBondContact O-N 3.49Å |
| 372 | V | 83.7 | Confident | 85.3 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 34% | 0.339 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71 | -36.5 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | F329 L368 S369 F370 V375 T376 | F329-V372 HydrophobicContact CB-CB 4.48Å; F329-V372 HydrophobicContact CB-CG1 4.41Å; F329-V372 HydrophobicContact CD1-CB 4.08Å; F329-V372 HydrophobicContact CD1-CG1 4.27Å; F329-V372 HydrophobicContact CD2-CB 4.11Å; F329-V372 HydrophobicContact CD2-CG1 3.4Å; F329-V372 VanDerWaalsContact CD2-CG1 3.4Å; F329-V372 HydrophobicContact CE1-CB 4.34Å; F329-V372 HydrophobicContact CE1-CG1 4.45Å; F329-V372 HydrophobicContact CE2-CB 4.37Å; F329-V372 HydrophobicContact CE2-CG1 3.62Å; F329-V372 HydrophobicContact CG-CB 3.96Å; F329-V372 HydrophobicContact CG-CG1 3.77Å; F329-V372 HydrophobicContact CZ-CB 4.49Å; F329-V372 HydrophobicContact CZ-CG1 4.15Å; L368-V372 PolarHBondContact O-N 2.78Å; S369-V372 PolarHBondContact O-N 2.88Å; F370-V372 VanDerWaalsContact C-N 3.33Å; F370-V372 PolarHBondContact O-N 2.86Å; V372-V375 PolarHBondContact O-N 3.44Å; V372-T376 HydrophobicContact CG1-CG2 4.33Å; V372-T376 WeakPolarHBondContact O-CB 3.46Å; V372-T376 WeakPolarHBondContact O-CG2 3.13Å; V372-T376 PolarHBondContact O-N 2.88Å; V372-T376 PolarHBondContact O-OG1 3.12Å |
| 373 | G | 83.5 | Confident | 84.8 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H326 S369 F370 T376 G377 | H326-G373 PolarHBondContact CE1-O 2.93Å; H326-G373 PolarHBondContact ND1-O 3.12Å; S369-G373 PolarHBondContact O-N 3.12Å; F370-G373 PolarHBondContact O-N 3.34Å; F370-G373 VanDerWaalsContact O-N 3.14Å; G373-T376 PolarHBondContact O-OG1 3.19Å; G373-G377 PolarHBondContact O-N 3.04Å |
| 374 | V | 84 | Confident | 84.1 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | F370 T376 G377 I378 F411 | F370-V374 HydrophobicContact CD1-CG2 4.28Å; F370-V374 HydrophobicContact CD2-CG2 4.48Å; F370-V374 HydrophobicContact CE1-CG2 3.89Å; F370-V374 HydrophobicContact CE2-CG2 4.1Å; F370-V374 HydrophobicContact CZ-CG2 3.79Å; F370-V374 WeakPolarHBondContact O-CG2 3.05Å; F370-V374 PolarHBondContact O-N 3.31Å; V374-T376 VanDerWaalsContact C-N 3.34Å; V374-T376 PolarHBondContact O-N 3.2Å; V374-G377 PolarHBondContact O-N 3.19Å; V374-I378 HydrophobicContact CG1-CD1 3.84Å; V374-I378 WeakPolarHBondContact O-CG1 3.24Å; V374-I378 PolarHBondContact O-N 2.82Å; V374-F411 HydrophobicContact CG1-CZ 4.38Å; V374-F411 HydrophobicContact CG2-CE2 3.79Å; V374-F411 HydrophobicContact CG2-CZ 4.25Å |
| 375 | V | 82.3 | Confident | 83.4 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 52% | 0.521 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 179.2 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | A371 V372 I379 | A371-V375 WeakPolarHBondContact O-CG2 3.4Å; A371-V375 PolarHBondContact O-N 3.49Å; V372-V375 PolarHBondContact O-N 3.44Å; V375-I379 HydrophobicContact CG1-CD1 4.11Å; V375-I379 WeakPolarHBondContact O-CD1 3.38Å; V375-I379 WeakPolarHBondContact O-CG1 3.14Å; V375-I379 PolarHBondContact O-N 3.12Å |
| 376 | T | 85.8 | Confident | 82.9 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.7 | -34.8 | 177.6 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | F325 H326 V372 G373 V374 I379 Q380 | F325-T376 HydrophobicContact CB-CG2 3.88Å; H326-T376 PolarHBondContact ND1-OG1 3.34Å; V372-T376 HydrophobicContact CG1-CG2 4.33Å; V372-T376 WeakPolarHBondContact O-CB 3.46Å; V372-T376 WeakPolarHBondContact O-CG2 3.13Å; V372-T376 PolarHBondContact O-N 2.88Å; V372-T376 PolarHBondContact O-OG1 3.12Å; G373-T376 PolarHBondContact O-OG1 3.19Å; V374-T376 VanDerWaalsContact C-N 3.34Å; V374-T376 PolarHBondContact O-N 3.2Å; T376-I379 PolarHBondContact O-N 3.49Å; T376-Q380 WeakPolarHBondContact O-CB 3.41Å; T376-Q380 PolarHBondContact O-N 3.15Å |
| 377 | G | 79.8 | Confident | 82.1 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -50.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H326 G373 V374 I379 Q380 E381 | H326-G377 WeakPolarHBondContact CE1-CA 3.27Å; H326-G377 PolarHBondContact ND1-N 2.94Å; G373-G377 PolarHBondContact O-N 3.04Å; V374-G377 PolarHBondContact O-N 3.19Å; G377-I379 VanDerWaalsContact C-N 3.31Å; G377-I379 PolarHBondContact O-N 2.91Å; G377-Q380 WeakPolarHBondContact O-CA 3.42Å; G377-Q380 WeakPolarHBondContact O-CB 3.39Å; G377-Q380 PolarHBondContact O-N 2.86Å; G377-E381 PolarHBondContact O-N 2.78Å |
| 378 | I | 81.5 | Confident | 81.3 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 42% | 0.415 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -44 | 177.9 | -66.4 | 165.1 | 0 | 0 | 0 | 111.1 | V374 Q380 E381 F382 | V374-I378 HydrophobicContact CG1-CD1 3.84Å; V374-I378 WeakPolarHBondContact O-CG1 3.24Å; V374-I378 PolarHBondContact O-N 2.82Å; I378-Q380 VanDerWaalsContact C-N 3.3Å; I378-Q380 PolarHBondContact O-N 3.23Å; I378-E381 PolarHBondContact O-N 3.26Å; I378-F382 HydrophobicContact CG2-CD2 3.96Å; I378-F382 HydrophobicContact CG2-CE2 3.75Å; I378-F382 WeakPolarHBondContact O-CD2 3.1Å; I378-F382 PolarHBondContact O-N 2.81Å |
| 379 | I | 82.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 176.8 | -65.9 | 166.7 | 0 | 0 | 0 | 111 | T322 V375 T376 G377 F382 Q383 | T322-I379 HydrophobicContact CG2-CB 4.25Å; T322-I379 HydrophobicContact CG2-CG2 3.82Å; V375-I379 HydrophobicContact CG1-CD1 4.11Å; V375-I379 WeakPolarHBondContact O-CD1 3.38Å; V375-I379 WeakPolarHBondContact O-CG1 3.14Å; V375-I379 PolarHBondContact O-N 3.12Å; T376-I379 PolarHBondContact O-N 3.49Å; G377-I379 VanDerWaalsContact C-N 3.31Å; G377-I379 PolarHBondContact O-N 2.91Å; I379-F382 PolarHBondContact O-N 3.25Å; I379-Q383 WeakPolarHBondContact O-CG 3.2Å; I379-Q383 PolarHBondContact O-N 3.46Å |
| 380 | Q | 79.9 | Confident | 80.7 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.9 | -36.4 | 180 | -154.8 | 178.1 | -109.3 | 0 | 0 | 112.1 | F319 T322 T323 T376 G377 I378 Q383 F384 | F319-Q380 HydrophobicContact CE2-CG 3.8Å; F319-Q380 HydrophobicContact CZ-CG 4.45Å; T322-Q380 HydrophobicContact CG2-CB 4.14Å; T322-Q380 HydrophobicContact CG2-CG 4.46Å; T323-Q380 PolarHBondContact OG1-OE1 2.9Å; T323-Q380 VanDerWaalsContact OG1-OE1 3.06Å; T376-Q380 WeakPolarHBondContact O-CB 3.41Å; T376-Q380 PolarHBondContact O-N 3.15Å; G377-Q380 WeakPolarHBondContact O-CA 3.42Å; G377-Q380 WeakPolarHBondContact O-CB 3.39Å; G377-Q380 PolarHBondContact O-N 2.86Å; I378-Q380 VanDerWaalsContact C-N 3.3Å; I378-Q380 PolarHBondContact O-N 3.23Å; Q380-Q383 PolarHBondContact O-N 3.39Å; Q380-F384 HydrophobicContact CG-CD2 4.35Å; Q380-F384 HydrophobicContact CG-CE2 3.92Å; Q380-F384 WeakPolarHBondContact O-CD2 3.11Å; Q380-F384 PolarHBondContact O-N 3.35Å |
| 381 | E | 77.8 | Confident | 80.4 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.9 | -47.3 | 171.4 | -70.1 | -176.2 | 160.6 | 0 | 0 | 112 | G377 I378 Q383 F384 G385 | G377-E381 PolarHBondContact O-N 2.78Å; I378-E381 PolarHBondContact O-N 3.26Å; E381-Q383 VanDerWaalsContact C-N 3.28Å; E381-Q383 PolarHBondContact O-N 3.39Å; E381-F384 PolarHBondContact O-N 3.07Å; E381-G385 PolarHBondContact O-N 3.24Å |
| 382 | F | 79.8 | Confident | 80.2 | Confident | 133 Ų | 133 | 63.5 Ų | 63.5 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.9 | -37 | 174.4 | -79.3 | -65.1 | 0 | 0 | 0 | 112.1 | I378 I379 G385 M386 | I378-F382 HydrophobicContact CG2-CD2 3.96Å; I378-F382 HydrophobicContact CG2-CE2 3.75Å; I378-F382 WeakPolarHBondContact O-CD2 3.1Å; I378-F382 PolarHBondContact O-N 2.81Å; I379-F382 PolarHBondContact O-N 3.25Å; F382-G385 PolarHBondContact O-N 2.77Å; F382-M386 HydrophobicContact CB-CE 4.19Å; F382-M386 WeakPolarHBondContact O-CB 3.18Å; F382-M386 WeakPolarHBondContact O-CG 3.27Å; F382-M386 PolarHBondContact O-N 2.69Å |
| 383 | Q | 79.5 | Confident | 80.1 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 2% | 0.023 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 174.7 | -73.7 | 169.6 | 6.1 | 0 | 0 | 112.5 | F319 T322 I379 Q380 E381 N387 | F319-Q383 HydrophobicContact CD2-CB 4.36Å; F319-Q383 VanDerWaalsContact CD2-OE1 3.31Å; T322-Q383 PolarHBondContact OG1-NE2 3.48Å; T322-Q383 PolarHBondContact OG1-OE1 3.16Å; I379-Q383 WeakPolarHBondContact O-CG 3.2Å; I379-Q383 PolarHBondContact O-N 3.46Å; Q380-Q383 PolarHBondContact O-N 3.39Å; E381-Q383 VanDerWaalsContact C-N 3.28Å; E381-Q383 PolarHBondContact O-N 3.39Å; Q383-N387 VanDerWaalsContact O-CB 3.28Å; Q383-N387 WeakPolarHBondContact O-CB 3.5Å; Q383-N387 PolarHBondContact O-N 2.62Å |
| 384 | F | 75.2 | Confident | 80.3 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 172.1 | -78.8 | -69 | 0 | 0 | 0 | 111.5 | F319 Q380 E381 W388 S392 | F319-F384 HydrophobicContact CE2-CZ 4.38Å; F319-F384 HydrophobicContact CZ-CZ 4.35Å; Q380-F384 HydrophobicContact CG-CD2 4.35Å; Q380-F384 HydrophobicContact CG-CE2 3.92Å; Q380-F384 WeakPolarHBondContact O-CD2 3.11Å; Q380-F384 PolarHBondContact O-N 3.35Å; E381-F384 PolarHBondContact O-N 3.07Å; F384-W388 AromaticContact CD1-CE3 3.49Å; F384-W388 HydrophobicContact CD1-CE3 3.49Å; F384-W388 VanDerWaalsContact CD1-CE3 3.49Å; F384-W388 AromaticContact CD1-CZ3 3.83Å; F384-W388 HydrophobicContact CD1-CZ3 3.83Å; F384-W388 AromaticContact CE1-CE3 3.72Å; F384-W388 HydrophobicContact CE1-CE3 3.72Å; F384-W388 AromaticContact CE1-CZ3 3.61Å; F384-W388 HydrophobicContact CE1-CZ3 3.61Å; F384-W388 HydrophobicContact CG-CE3 4.32Å; F384-W388 HydrophobicContact CZ-CZ3 4.26Å; F384-W388 CarbonylContact O-C 3.54Å; F384-W388 VanDerWaalsContact O-C 3.32Å; F384-W388 PolarHBondContact O-N 3.03Å; F384-S392 PolarHBondContact O-OG 3.27Å |
| 385 | G | 74.6 | Confident | 80.4 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E381 F382 S389 | E381-G385 PolarHBondContact O-N 3.24Å; F382-G385 PolarHBondContact O-N 2.77Å; G385-S389 WeakPolarHBondContact O-CB 3.32Å |
| 386 | M | 78.3 | Confident | 80.3 | Confident | 128 Ų | 128 | 67.2 Ų | 67.2 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -90.8 | -54.2 | -176.9 | -63.3 | -173.9 | -56.6 | 0 | 0 | 112.9 | F382 W388 | F382-M386 HydrophobicContact CB-CE 4.19Å; F382-M386 WeakPolarHBondContact O-CB 3.18Å; F382-M386 WeakPolarHBondContact O-CG 3.27Å; F382-M386 PolarHBondContact O-N 2.69Å; M386-W388 PolarHBondContact O-N 3.05Å |
| 387 | N | 75.5 | Confident | 80.1 | Confident | 66 Ų | 66 | 71 Ų | 71 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -79 | -21.4 | -171.3 | -61.1 | -1.5 | 0 | 0 | 0 | 112.5 | Q383 | Q383-N387 VanDerWaalsContact O-CB 3.28Å; Q383-N387 WeakPolarHBondContact O-CB 3.5Å; Q383-N387 PolarHBondContact O-N 2.62Å |
| 388 | W | 74.6 | Confident | 80.3 | Confident | 106 Ų | 106 | 70.3 Ų | 70.3 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 38.6 | -179.2 | -62.7 | -48.3 | 0 | 0 | 0 | 112.9 | F319 F384 M386 D390 Y391 S392 | F319-W388 HydrophobicContact CB-CH2 4.5Å; F319-W388 AromaticContact CD1-CH2 3.67Å; F319-W388 HydrophobicContact CD1-CH2 3.67Å; F319-W388 HydrophobicContact CD1-CZ3 4.47Å; F319-W388 AromaticContact CD2-CH2 3.52Å; F319-W388 HydrophobicContact CD2-CH2 3.52Å; F319-W388 AromaticContact CD2-CZ3 3.62Å; F319-W388 HydrophobicContact CD2-CZ3 3.62Å; F319-W388 AromaticContact CE1-CH2 3.66Å; F319-W388 HydrophobicContact CE1-CH2 3.66Å; F319-W388 HydrophobicContact CE1-CZ3 4.22Å; F319-W388 AromaticContact CE2-CH2 3.53Å; F319-W388 HydrophobicContact CE2-CH2 3.53Å; F319-W388 AromaticContact CE2-CZ3 3.33Å; F319-W388 HydrophobicContact CE2-CZ3 3.33Å; F319-W388 AromaticContact CG-CH2 3.6Å; F319-W388 HydrophobicContact CG-CH2 3.6Å; F319-W388 HydrophobicContact CG-CZ2 4.45Å; F319-W388 HydrophobicContact CG-CZ3 4.19Å; F319-W388 AromaticContact CZ-CH2 3.6Å; F319-W388 HydrophobicContact CZ-CH2 3.6Å; F319-W388 AromaticContact CZ-CZ3 3.66Å; F319-W388 HydrophobicContact CZ-CZ3 3.66Å; F384-W388 AromaticContact CD1-CE3 3.49Å; F384-W388 HydrophobicContact CD1-CE3 3.49Å; F384-W388 VanDerWaalsContact CD1-CE3 3.49Å; F384-W388 AromaticContact CD1-CZ3 3.83Å; F384-W388 HydrophobicContact CD1-CZ3 3.83Å; F384-W388 AromaticContact CE1-CE3 3.72Å; F384-W388 HydrophobicContact CE1-CE3 3.72Å; F384-W388 AromaticContact CE1-CZ3 3.61Å; F384-W388 HydrophobicContact CE1-CZ3 3.61Å; F384-W388 HydrophobicContact CG-CE3 4.32Å; F384-W388 HydrophobicContact CZ-CZ3 4.26Å; F384-W388 CarbonylContact O-C 3.54Å; F384-W388 VanDerWaalsContact O-C 3.32Å; F384-W388 PolarHBondContact O-N 3.03Å; M386-W388 PolarHBondContact O-N 3.05Å; W388-D390 PolarHBondContact O-N 3.38Å; W388-Y391 WeakPolarHBondContact O-CA 3.24Å; W388-Y391 WeakPolarHBondContact O-CB 3.49Å; W388-Y391 PolarHBondContact O-N 3.08Å; W388-S392 PolarHBondContact O-N 3.29Å |
| 389 | S | 81.6 | Confident | 80.3 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -49.7 | -36.7 | -179.4 | 67 | 0 | 0 | 0 | 0 | 114 | G385 S392 R393 | G385-S389 WeakPolarHBondContact O-CB 3.32Å; S389-S392 PolarHBondContact O-N 2.75Å; S389-R393 WeakPolarHBondContact O-CB 3.24Å; S389-R393 WeakPolarHBondContact O-CD 3.45Å; S389-R393 WeakPolarHBondContact O-CG 3.37Å; S389-R393 PolarHBondContact O-N 3.25Å |
| 390 | D | 80.6 | Confident | 80.1 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -72.8 | -33.3 | 176.6 | -65.3 | -47.8 | 0 | 0 | 0 | 114.3 | W388 R393 F394 | W388-D390 PolarHBondContact O-N 3.38Å; D390-R393 PolarHBondContact O-N 3.01Å; D390-R393 WeakPolarHBondContact OD1-CD 3.18Å; D390-R393 IonicContact OD1-CZ 3.63Å; D390-R393 IonicContact OD1-NH1 2.76Å; D390-R393 PolarHBondContact OD1-NH1 3.45Å; D390-F394 WeakPolarHBondContact O-CB 3.36Å; D390-F394 PolarHBondContact O-N 3.27Å |
| 391 | Y | 81.5 | Confident | 80.2 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 31% | 0.306 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 169.8 | -176.7 | -102.4 | 0 | 0 | 0 | 110.3 | W388 R393 F394 V395 M458 | W388-Y391 WeakPolarHBondContact O-CA 3.24Å; W388-Y391 WeakPolarHBondContact O-CB 3.49Å; W388-Y391 PolarHBondContact O-N 3.08Å; Y391-R393 VanDerWaalsContact C-N 3.31Å; Y391-R393 PolarHBondContact O-N 3.29Å; Y391-F394 WeakPolarHBondContact O-CB 3.29Å; Y391-F394 PolarHBondContact O-N 2.61Å; Y391-V395 HydrophobicContact CD1-CG2 3.98Å; Y391-V395 HydrophobicContact CD2-CG1 4.42Å; Y391-V395 HydrophobicContact CE1-CG2 3.52Å; Y391-V395 HydrophobicContact CE2-CG1 3.86Å; Y391-V395 HydrophobicContact CE2-CG2 4.34Å; Y391-V395 WeakPolarHBondContact O-CG2 3.46Å; Y391-V395 PolarHBondContact O-N 2.95Å; Y391-M458 HydrophobicContact CE1-CE 4.16Å; Y391-M458 WeakPolarHBondContact OH-CE 3.31Å |
| 392 | S | 81.4 | Confident | 80.4 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -34 | 174.8 | -63.7 | 0 | 0 | 0 | 0 | 113 | F384 W388 S389 G396 | F384-S392 PolarHBondContact O-OG 3.27Å; W388-S392 PolarHBondContact O-N 3.29Å; S389-S392 PolarHBondContact O-N 2.75Å; S392-G396 WeakPolarHBondContact O-CA 3.4Å; S392-G396 PolarHBondContact O-N 3.43Å |
| 393 | R | 82.8 | Confident | 80.5 | Confident | 143 Ų | 143 | 58.1 Ų | 58.1 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 170.1 | -72.4 | 161.7 | -177.7 | 156.7 | 0.6 | 112.3 | S389 D390 Y391 R470 | S389-R393 WeakPolarHBondContact O-CB 3.24Å; S389-R393 WeakPolarHBondContact O-CD 3.45Å; S389-R393 WeakPolarHBondContact O-CG 3.37Å; S389-R393 PolarHBondContact O-N 3.25Å; D390-R393 PolarHBondContact O-N 3.01Å; D390-R393 WeakPolarHBondContact OD1-CD 3.18Å; D390-R393 IonicContact OD1-CZ 3.63Å; D390-R393 IonicContact OD1-NH1 2.76Å; D390-R393 PolarHBondContact OD1-NH1 3.45Å; Y391-R393 VanDerWaalsContact C-N 3.31Å; Y391-R393 PolarHBondContact O-N 3.29Å; R393-R470 WeakPolarHBondContact O-CD 3.49Å; R393-R470 WeakPolarHBondContact O-CG 3.3Å |
| 394 | F | 86.8 | Confident | 80.5 | Confident | 89 Ų | 89 | 60 Ų | 60 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -75.9 | -45.7 | -178.1 | -177.8 | -113.2 | 0 | 0 | 0 | 113.4 | D390 Y391 L466 G469 A471 | D390-F394 WeakPolarHBondContact O-CB 3.36Å; D390-F394 PolarHBondContact O-N 3.27Å; Y391-F394 WeakPolarHBondContact O-CB 3.29Å; Y391-F394 PolarHBondContact O-N 2.61Å; F394-L466 HydrophobicContact CE2-CD2 3.94Å; F394-L466 HydrophobicContact CZ-CD2 3.74Å; F394-G469 WeakPolarHBondContact CD2-O 3.49Å; F394-A471 HydrophobicContact CZ-CB 4.4Å; F394-A471 PolarHBondContact O-N 3.16Å |
| 395 | V | 85.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -105.7 | 4.7 | -176.1 | -51.7 | 0 | 0 | 0 | 0 | 114.7 | Y391 D397 I398 F399 | Y391-V395 HydrophobicContact CD1-CG2 3.98Å; Y391-V395 HydrophobicContact CD2-CG1 4.42Å; Y391-V395 HydrophobicContact CE1-CG2 3.52Å; Y391-V395 HydrophobicContact CE2-CG1 3.86Å; Y391-V395 HydrophobicContact CE2-CG2 4.34Å; Y391-V395 WeakPolarHBondContact O-CG2 3.46Å; Y391-V395 PolarHBondContact O-N 2.95Å; V395-D397 PolarHBondContact O-N 3.38Å; V395-I398 PolarHBondContact O-N 3.37Å; V395-F399 HydrophobicContact CB-CD2 3.77Å; V395-F399 HydrophobicContact CB-CE2 4.23Å; V395-F399 HydrophobicContact CG2-CB 4.28Å; V395-F399 HydrophobicContact CG2-CD2 3.35Å; V395-F399 HydrophobicContact CG2-CE2 3.87Å; V395-F399 HydrophobicContact CG2-CG 3.82Å; V395-F399 PolarHBondContact O-N 2.86Å |
| 396 | G | 80.4 | Confident | 81.3 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.4 | -44.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S392 I398 F399 G400 | S392-G396 WeakPolarHBondContact O-CA 3.4Å; S392-G396 PolarHBondContact O-N 3.43Å; G396-I398 PolarHBondContact O-N 2.99Å; G396-F399 PolarHBondContact O-N 2.72Å; G396-G400 WeakPolarHBondContact O-CA 3.49Å; G396-G400 PolarHBondContact O-N 3.49Å |
| 397 | D | 82.7 | Confident | 81.3 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -27 | 179.7 | -70 | 4.5 | 0 | 0 | 0 | 112.9 | V395 | V395-D397 PolarHBondContact O-N 3.38Å |
| 398 | I | 83.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -89.1 | -37.8 | -178.5 | -60.2 | 170.6 | 0 | 0 | 0 | 111 | V395 G396 P402 F457 Y464 A471 M473 | V395-I398 PolarHBondContact O-N 3.37Å; G396-I398 PolarHBondContact O-N 2.99Å; I398-P402 WeakPolarHBondContact O-CD 3.32Å; I398-F457 HydrophobicContact CD1-CE1 3.99Å; I398-F457 HydrophobicContact CD1-CE2 3.95Å; I398-F457 HydrophobicContact CD1-CZ 3.46Å; I398-F457 VanDerWaalsContact CD1-CZ 3.46Å; I398-F457 HydrophobicContact CG2-CD1 3.83Å; I398-F457 HydrophobicContact CG2-CD2 3.81Å; I398-F457 HydrophobicContact CG2-CE1 3.94Å; I398-F457 HydrophobicContact CG2-CE2 3.92Å; I398-F457 HydrophobicContact CG2-CG 3.79Å; I398-F457 HydrophobicContact CG2-CZ 4Å; I398-Y464 HydrophobicContact CD1-CG 4.32Å; I398-A471 HydrophobicContact CD1-CB 3.57Å; I398-A471 VanDerWaalsContact CD1-O 3.31Å; I398-A471 WeakPolarHBondContact CD1-O 3.5Å; I398-A471 WeakPolarHBondContact CG1-O 3.41Å; I398-M473 HydrophobicContact CB-CE 4.46Å; I398-M473 HydrophobicContact CG1-CB 3.99Å; I398-M473 HydrophobicContact CG2-CE 4.35Å |
| 399 | F | 80.9 | Confident | 82.1 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -80.5 | -36.8 | 179.5 | -91.8 | -108.9 | 0 | 0 | 0 | 113.3 | V395 G396 A401 P402 L403 A454 F457 M458 | V395-F399 HydrophobicContact CB-CD2 3.77Å; V395-F399 HydrophobicContact CB-CE2 4.23Å; V395-F399 HydrophobicContact CG2-CB 4.28Å; V395-F399 HydrophobicContact CG2-CD2 3.35Å; V395-F399 HydrophobicContact CG2-CE2 3.87Å; V395-F399 HydrophobicContact CG2-CG 3.82Å; V395-F399 PolarHBondContact O-N 2.86Å; G396-F399 PolarHBondContact O-N 2.72Å; F399-A401 VanDerWaalsContact C-N 3.3Å; F399-A401 PolarHBondContact O-N 2.9Å; F399-P402 WeakPolarHBondContact O-CD 3.47Å; F399-L403 HydrophobicContact CB-CD1 4.47Å; F399-L403 HydrophobicContact CD1-CD1 4.42Å; F399-L403 WeakPolarHBondContact O-CB 3.19Å; F399-L403 WeakPolarHBondContact O-CG 3.22Å; F399-L403 PolarHBondContact O-N 2.83Å; F399-A454 HydrophobicContact CD1-CB 3.87Å; F399-A454 HydrophobicContact CE1-CB 3.63Å; F399-A454 HydrophobicContact CG-CB 4.41Å; F399-A454 HydrophobicContact CZ-CB 3.98Å; F399-A454 VanDerWaalsContact CZ-O 3.27Å; F399-A454 WeakPolarHBondContact CZ-O 3.37Å; F399-F457 HydrophobicContact CE2-CD1 4.1Å; F399-M458 HydrophobicContact CE1-CE 3.48Å; F399-M458 VanDerWaalsContact CE1-CE 3.48Å; F399-M458 HydrophobicContact CE2-CE 4.45Å; F399-M458 HydrophobicContact CE2-CG 4.29Å; F399-M458 HydrophobicContact CZ-CE 3.33Å; F399-M458 HydrophobicContact CZ-CG 3.64Å; F399-M458 HydrophobicContact CZ-SD 4.31Å |
| 400 | G | 78.3 | Confident | 82.3 | Confident | 38 Ų | 38 | 55 Ų | 55 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -34.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | G396 A404 | G396-G400 WeakPolarHBondContact O-CA 3.49Å; G396-G400 PolarHBondContact O-N 3.49Å; G400-A404 WeakPolarHBondContact O-CB 3.06Å; G400-A404 PolarHBondContact O-N 2.86Å |
| 401 | A | 82.7 | Confident | 82.5 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 28% | 0.281 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.4 | -52.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F399 L403 A404 V405 M473 F476 | F399-A401 VanDerWaalsContact C-N 3.3Å; F399-A401 PolarHBondContact O-N 2.9Å; A401-L403 PolarHBondContact O-N 3.43Å; A401-A404 PolarHBondContact O-N 2.6Å; A401-V405 WeakPolarHBondContact O-CG2 3.37Å; A401-V405 PolarHBondContact O-N 3.19Å; A401-V405 VanDerWaalsContact O-N 3.14Å; A401-M473 HydrophobicContact CB-CE 3.88Å; A401-F476 HydrophobicContact CB-CE2 4.24Å |
| 402 | P | 82.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 172.5 | -25.5 | 34.9 | 0 | 0 | 0 | 113.1 | I398 F399 A404 V405 E406 W450 A454 | I398-P402 WeakPolarHBondContact O-CD 3.32Å; F399-P402 WeakPolarHBondContact O-CD 3.47Å; P402-A404 PolarHBondContact O-N 3Å; P402-V405 PolarHBondContact O-N 3.29Å; P402-E406 PolarHBondContact O-N 2.94Å; P402-W450 HydrophobicContact CB-CE3 4.35Å; P402-W450 WeakPolarHBondContact CB-O 3.39Å; P402-A454 HydrophobicContact CB-CB 4.4Å |
| 403 | L | 80.5 | Confident | 83 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 37% | 0.372 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | -179.5 | -67.1 | 172.3 | 0 | 0 | 0 | 112.7 | F399 A401 E406 A407 | F399-L403 HydrophobicContact CB-CD1 4.47Å; F399-L403 HydrophobicContact CD1-CD1 4.42Å; F399-L403 WeakPolarHBondContact O-CB 3.19Å; F399-L403 WeakPolarHBondContact O-CG 3.22Å; F399-L403 PolarHBondContact O-N 2.83Å; A401-L403 PolarHBondContact O-N 3.43Å; L403-E406 WeakPolarHBondContact O-CB 3.23Å; L403-E406 PolarHBondContact O-N 3.49Å; L403-A407 PolarHBondContact O-N 3.2Å |
| 404 | A | 79.3 | Confident | 83.3 | Confident | 45 Ų | 45 | 50 Ų | 50 | 37% | 0.372 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G400 A401 P402 L408 | G400-A404 WeakPolarHBondContact O-CB 3.06Å; G400-A404 PolarHBondContact O-N 2.86Å; A401-A404 PolarHBondContact O-N 2.6Å; P402-A404 PolarHBondContact O-N 3Å; A404-L408 HydrophobicContact CB-CD1 4.44Å; A404-L408 WeakPolarHBondContact O-CB 3.32Å; A404-L408 WeakPolarHBondContact O-CD1 3.09Å; A404-L408 WeakPolarHBondContact O-CG 3.36Å; A404-L408 PolarHBondContact O-N 3.38Å |
| 405 | V | 84 | Confident | 83.4 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 26% | 0.261 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -73.1 | -34.6 | 175.4 | -178 | 0 | 0 | 0 | 0 | 111.4 | A401 P402 L409 A410 W450 | A401-V405 WeakPolarHBondContact O-CG2 3.37Å; A401-V405 PolarHBondContact O-N 3.19Å; A401-V405 VanDerWaalsContact O-N 3.14Å; P402-V405 PolarHBondContact O-N 3.29Å; V405-L409 HydrophobicContact CG1-CB 4.16Å; V405-L409 HydrophobicContact CG1-CD2 4.24Å; V405-L409 WeakPolarHBondContact O-CA 3.07Å; V405-L409 WeakPolarHBondContact O-CB 3.32Å; V405-L409 PolarHBondContact O-N 2.83Å; V405-A410 PolarHBondContact O-N 2.74Å; V405-W450 HydrophobicContact CB-CD2 4.15Å; V405-W450 HydrophobicContact CB-CE3 4.4Å; V405-W450 HydrophobicContact CB-CZ2 4.48Å; V405-W450 HydrophobicContact CG1-CD2 3.91Å; V405-W450 VanDerWaalsContact CG1-CE2 3.41Å; V405-W450 HydrophobicContact CG1-CE3 4.43Å; V405-W450 HydrophobicContact CG1-CG 4.42Å; V405-W450 HydrophobicContact CG1-CH2 4.14Å; V405-W450 HydrophobicContact CG1-CZ2 3.56Å |
| 406 | E | 84.3 | Confident | 83.5 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 9% | 0.093 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -52.7 | -62.5 | 168.2 | -163.4 | -58.1 | 124.2 | 0 | 0 | 109.8 | P402 L403 A410 F411 S447 W450 I451 | P402-E406 PolarHBondContact O-N 2.94Å; L403-E406 WeakPolarHBondContact O-CB 3.23Å; L403-E406 PolarHBondContact O-N 3.49Å; E406-A410 CarbonylContact O-C 3.54Å; E406-A410 WeakPolarHBondContact O-CA 3.49Å; E406-A410 WeakPolarHBondContact O-CB 3.1Å; E406-A410 PolarHBondContact O-N 3.29Å; E406-F411 PolarHBondContact O-N 2.77Å; E406-S447 WeakPolarHBondContact OE1-CB 3.2Å; E406-S447 PolarHBondContact OE1-OG 2.8Å; E406-W450 HydrophobicContact CB-CB 3.89Å; E406-W450 HydrophobicContact CG-CB 4.29Å; E406-I451 HydrophobicContact CG-CD1 4.21Å; E406-I451 HydrophobicContact CG-CG1 3.9Å |
| 407 | A | 77.3 | Confident | 84.1 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 37% | 0.372 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -66.9 | -44.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L403 F412 | L403-A407 PolarHBondContact O-N 3.2Å; A407-F412 PolarHBondContact O-N 3.5Å |
| 408 | L | 81.8 | Confident | 84.6 | Confident | 136 Ų | 136 | 47 Ų | 47 | 71% | 0.712 | 27% | 0.268 | S | S | * | . | I | π-helix | trans | -80.5 | -24 | -174.4 | -63.1 | 171.5 | 0 | 0 | 0 | 113.8 | A404 F412 | A404-L408 HydrophobicContact CB-CD1 4.44Å; A404-L408 WeakPolarHBondContact O-CB 3.32Å; A404-L408 WeakPolarHBondContact O-CD1 3.09Å; A404-L408 WeakPolarHBondContact O-CG 3.36Å; A404-L408 PolarHBondContact O-N 3.38Å; L408-F412 WeakPolarHBondContact O-CB 3.44Å |
| 409 | L | 85.4 | Confident | 84.7 | Confident | 96 Ų | 96 | 48 Ų | 48 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -115.7 | -57.7 | -177.7 | -167.1 | 83.9 | 0 | 0 | 0 | 112.2 | V405 L413 | V405-L409 HydrophobicContact CG1-CB 4.16Å; V405-L409 HydrophobicContact CG1-CD2 4.24Å; V405-L409 WeakPolarHBondContact O-CA 3.07Å; V405-L409 WeakPolarHBondContact O-CB 3.32Å; V405-L409 PolarHBondContact O-N 2.83Å; L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 PolarHBondContact O-N 3.24Å; L409-L413 VanDerWaalsContact O-N 3.09Å |
| 410 | A | 85.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -73.7 | -58.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V405 E406 F412 L413 E414 L446 | V405-A410 PolarHBondContact O-N 2.74Å; E406-A410 CarbonylContact O-C 3.54Å; E406-A410 WeakPolarHBondContact O-CA 3.49Å; E406-A410 WeakPolarHBondContact O-CB 3.1Å; E406-A410 PolarHBondContact O-N 3.29Å; A410-F412 VanDerWaalsContact C-N 3.33Å; A410-F412 PolarHBondContact O-N 2.82Å; A410-L413 PolarHBondContact O-N 3.43Å; A410-E414 WeakPolarHBondContact O-CB 3.31Å; A410-E414 PolarHBondContact O-N 2.77Å; A410-L446 HydrophobicContact CB-CB 4.08Å |
| 411 | F | 84.4 | Confident | 85.9 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -63.2 | -36.9 | 178.8 | -176.5 | -105.6 | 0 | 0 | 0 | 112.6 | F370 V374 E406 E414 S415 | F370-F411 HydrophobicContact CE2-CE2 4.38Å; F370-F411 AromaticContact CZ-CE2 3.81Å; F370-F411 HydrophobicContact CZ-CE2 3.81Å; V374-F411 HydrophobicContact CG1-CZ 4.38Å; V374-F411 HydrophobicContact CG2-CE2 3.79Å; V374-F411 HydrophobicContact CG2-CZ 4.25Å; E406-F411 PolarHBondContact O-N 2.77Å; F411-E414 PolarHBondContact O-N 3.44Å; F411-S415 WeakPolarHBondContact O-CB 3.26Å; F411-S415 PolarHBondContact O-N 2.74Å; F411-S415 PolarHBondContact O-OG 3.15Å |
| 412 | F | 84.9 | Confident | 86.2 | Confident | 132 Ų | 132 | 49.4 Ų | 49.4 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 173.9 | -176.9 | -99.2 | 0 | 0 | 0 | 112.5 | A407 L408 A410 S415 T416 | A407-F412 PolarHBondContact O-N 3.5Å; L408-F412 WeakPolarHBondContact O-CB 3.44Å; A410-F412 VanDerWaalsContact C-N 3.33Å; A410-F412 PolarHBondContact O-N 2.82Å; F412-S415 PolarHBondContact O-OG 3.03Å; F412-T416 WeakPolarHBondContact O-CB 3.44Å; F412-T416 PolarHBondContact O-N 2.72Å; F412-T416 PolarHBondContact O-OG1 2.69Å |
| 413 | L | 88.9 | Confident | 86.5 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 176.5 | -166.4 | 152.2 | 0 | 0 | 0 | 110.9 | L409 A410 F417 L439 A443 | L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 PolarHBondContact O-N 3.24Å; L409-L413 VanDerWaalsContact O-N 3.09Å; A410-L413 PolarHBondContact O-N 3.43Å; L413-F417 HydrophobicContact CD2-CD2 3.62Å; L413-F417 HydrophobicContact CD2-CE2 4.06Å; L413-F417 HydrophobicContact CG-CD2 3.81Å; L413-F417 HydrophobicContact CG-CE2 3.91Å; L413-F417 WeakPolarHBondContact O-CD2 3.49Å; L413-F417 PolarHBondContact O-N 2.85Å; L413-L439 HydrophobicContact CD2-CB 4.43Å; L413-A443 HydrophobicContact CB-CB 4.46Å; L413-A443 HydrophobicContact CD2-CB 3.68Å |
| 414 | E | 88.7 | Confident | 86.9 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -59.5 | 176.3 | -165.5 | 173.6 | -167.4 | 0 | 0 | 111.1 | F370 A410 F411 T416 F417 L418 V440 A443 S444 | F370-E414 HydrophobicContact CE2-CG 4.22Å; A410-E414 WeakPolarHBondContact O-CB 3.31Å; A410-E414 PolarHBondContact O-N 2.77Å; F411-E414 PolarHBondContact O-N 3.44Å; E414-T416 VanDerWaalsContact C-N 3.32Å; E414-T416 PolarHBondContact O-N 2.83Å; E414-F417 PolarHBondContact O-N 2.89Å; E414-L418 WeakPolarHBondContact O-CB 3.26Å; E414-L418 PolarHBondContact O-N 3.23Å; E414-V440 HydrophobicContact CG-CG1 3.77Å; E414-A443 HydrophobicContact CB-CB 3.53Å; E414-A443 HydrophobicContact CG-CB 4.06Å; E414-S444 WeakPolarHBondContact OE1-CB 3.19Å; E414-S444 PolarHBondContact OE1-OG 3.42Å |
| 415 | S | 88.1 | Confident | 87.1 | Confident | 44 Ų | 44 | 53.4 Ų | 53.4 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.1 | -38.1 | -179 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | F411 F412 G419 | F411-S415 WeakPolarHBondContact O-CB 3.26Å; F411-S415 PolarHBondContact O-N 2.74Å; F411-S415 PolarHBondContact O-OG 3.15Å; F412-S415 PolarHBondContact O-OG 3.03Å; S415-G419 PolarHBondContact O-N 2.75Å |
| 416 | T | 89.2 | Confident | 87 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -52.5 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | F412 E414 L418 G419 L420 | F412-T416 WeakPolarHBondContact O-CB 3.44Å; F412-T416 PolarHBondContact O-N 2.72Å; F412-T416 PolarHBondContact O-OG1 2.69Å; E414-T416 VanDerWaalsContact C-N 3.32Å; E414-T416 PolarHBondContact O-N 2.83Å; T416-L418 VanDerWaalsContact C-N 3.33Å; T416-L418 PolarHBondContact O-N 2.87Å; T416-G419 PolarHBondContact O-N 2.79Å; T416-L420 HydrophobicContact CG2-CD1 4.37Å; T416-L420 WeakPolarHBondContact O-CG 3.39Å; T416-L420 PolarHBondContact O-N 2.86Å |
| 417 | F | 93.3 | Very high | 87 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.6 | -25.5 | -179.3 | -76.2 | -67.9 | 0 | 0 | 0 | 112.9 | L413 E414 L420 W421 F436 L439 V440 | L413-F417 HydrophobicContact CD2-CD2 3.62Å; L413-F417 HydrophobicContact CD2-CE2 4.06Å; L413-F417 HydrophobicContact CG-CD2 3.81Å; L413-F417 HydrophobicContact CG-CE2 3.91Å; L413-F417 WeakPolarHBondContact O-CD2 3.49Å; L413-F417 PolarHBondContact O-N 2.85Å; E414-F417 PolarHBondContact O-N 2.89Å; F417-L420 HydrophobicContact CD1-CD1 3.78Å; F417-L420 HydrophobicContact CE1-CD1 3.94Å; F417-W421 VanDerWaalsContact O-CB 3.28Å; F417-W421 WeakPolarHBondContact O-CB 3.4Å; F417-W421 PolarHBondContact O-N 2.92Å; F417-F436 HydrophobicContact CD1-CB 4.36Å; F417-F436 AromaticContact CD1-CD1 3.55Å; F417-F436 HydrophobicContact CD1-CD1 3.55Å; F417-F436 HydrophobicContact CD1-CE1 4.15Å; F417-F436 HydrophobicContact CD1-CG 4.2Å; F417-F436 AromaticContact CE1-CD1 3.86Å; F417-F436 HydrophobicContact CE1-CD1 3.86Å; F417-F436 HydrophobicContact CE1-CE1 4.06Å; F417-L439 HydrophobicContact CB-CB 4.23Å; F417-L439 HydrophobicContact CD1-CB 4.41Å; F417-L439 HydrophobicContact CD1-CD1 3.86Å; F417-L439 HydrophobicContact CD2-CB 3.97Å; F417-L439 HydrophobicContact CD2-CD1 4.16Å; F417-L439 HydrophobicContact CE1-CD1 3.65Å; F417-L439 HydrophobicContact CE2-CB 4.49Å; F417-L439 HydrophobicContact CE2-CD1 3.96Å; F417-L439 HydrophobicContact CG-CB 3.93Å; F417-L439 HydrophobicContact CG-CD1 4.12Å; F417-L439 HydrophobicContact CZ-CD1 3.71Å; F417-V440 VanDerWaalsContact C-CG2 3.49Å; F417-V440 HydrophobicContact CB-CG2 3.78Å |
| 418 | L | 91.5 | Very high | 87.5 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.1 | -47.7 | 171.5 | -175.8 | 57.9 | 0 | 0 | 0 | 110.9 | F366 L367 F370 E414 T416 L420 W421 I422 V440 | F366-L418 HydrophobicContact CD1-CD1 4.5Å; F366-L418 HydrophobicContact CE1-CD1 3.54Å; F366-L418 HydrophobicContact CZ-CD1 4.09Å; F366-L418 HydrophobicContact CZ-CD2 4.49Å; L367-L418 HydrophobicContact CD2-CD1 3.72Å; L367-L418 HydrophobicContact CD2-CD2 4.15Å; L367-L418 HydrophobicContact CD2-CG 4.09Å; F370-L418 HydrophobicContact CD1-CD2 3.74Å; F370-L418 HydrophobicContact CE1-CD2 3.63Å; F370-L418 HydrophobicContact CE2-CD2 4.44Å; F370-L418 HydrophobicContact CG-CD2 4.2Å; F370-L418 HydrophobicContact CZ-CD2 4Å; E414-L418 WeakPolarHBondContact O-CB 3.26Å; E414-L418 PolarHBondContact O-N 3.23Å; T416-L418 VanDerWaalsContact C-N 3.33Å; T416-L418 PolarHBondContact O-N 2.87Å; L418-L420 VanDerWaalsContact C-N 3.34Å; L418-L420 PolarHBondContact O-N 2.72Å; L418-W421 HydrophobicContact CD1-CE3 4.42Å; L418-W421 PolarHBondContact O-N 3.32Å; L418-W421 VanDerWaalsContact O-N 3.15Å; L418-I422 HydrophobicContact CD1-CD1 4.46Å; L418-I422 HydrophobicContact CG-CD1 4.14Å; L418-I422 VanDerWaalsContact O-CG1 3.26Å; L418-I422 WeakPolarHBondContact O-CG1 3.41Å; L418-I422 PolarHBondContact O-N 2.79Å; L418-V440 HydrophobicContact CB-CG1 4.45Å; L418-V440 HydrophobicContact CB-CG2 3.99Å; L418-V440 HydrophobicContact CD1-CG1 4.42Å; L418-V440 VanDerWaalsContact N-CG2 3.3Å |
| 419 | G | 87.5 | Confident | 87.8 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S415 T416 W421 I422 F423 | S415-G419 PolarHBondContact O-N 2.75Å; T416-G419 PolarHBondContact O-N 2.79Å; G419-W421 PolarHBondContact O-N 3.3Å; G419-I422 PolarHBondContact O-N 3.31Å; G419-F423 WeakPolarHBondContact O-CD2 3.49Å; G419-F423 PolarHBondContact O-N 3.25Å; G419-F423 VanDerWaalsContact O-N 3.09Å |
| 420 | L | 91.4 | Very high | 87.8 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 173.3 | -71.6 | 171.2 | 0 | 0 | 0 | 111.9 | T416 F417 L418 F423 T424 F436 | T416-L420 HydrophobicContact CG2-CD1 4.37Å; T416-L420 WeakPolarHBondContact O-CG 3.39Å; T416-L420 PolarHBondContact O-N 2.86Å; F417-L420 HydrophobicContact CD1-CD1 3.78Å; F417-L420 HydrophobicContact CE1-CD1 3.94Å; L418-L420 VanDerWaalsContact C-N 3.34Å; L418-L420 PolarHBondContact O-N 2.72Å; L420-F423 PolarHBondContact O-N 2.75Å; L420-T424 HydrophobicContact CD2-CG2 4.45Å; L420-T424 VanDerWaalsContact O-CB 3.23Å; L420-T424 WeakPolarHBondContact O-CB 3.45Å; L420-T424 WeakPolarHBondContact O-CG2 3.09Å; L420-T424 PolarHBondContact O-N 3.19Å; L420-T424 PolarHBondContact O-OG1 2.67Å; L420-F436 HydrophobicContact CB-CD2 3.95Å; L420-F436 HydrophobicContact CB-CE2 4.02Å; L420-F436 HydrophobicContact CB-CG 4.33Å; L420-F436 HydrophobicContact CB-CZ 4.46Å; L420-F436 HydrophobicContact CD1-CE1 4.43Å; L420-F436 HydrophobicContact CD1-CZ 4.47Å |
| 421 | W | 93.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 2% | 0.019 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65 | -40 | 179.1 | -175.8 | 80.2 | 0 | 0 | 0 | 113.2 | V340 E344 F417 L418 G419 W425 H433 F436 I437 | V340-W421 HydrophobicContact CG1-CH2 3.91Å; V340-W421 HydrophobicContact CG1-CZ2 3.68Å; E344-W421 PolarHBondContact OE2-NE1 2.99Å; F417-W421 VanDerWaalsContact O-CB 3.28Å; F417-W421 WeakPolarHBondContact O-CB 3.4Å; F417-W421 PolarHBondContact O-N 2.92Å; L418-W421 HydrophobicContact CD1-CE3 4.42Å; L418-W421 PolarHBondContact O-N 3.32Å; L418-W421 VanDerWaalsContact O-N 3.15Å; G419-W421 PolarHBondContact O-N 3.3Å; W421-W425 HydrophobicContact CH2-CZ2 4.42Å; W421-W425 AromaticContact CZ2-CZ2 3.77Å; W421-W425 HydrophobicContact CZ2-CZ2 3.77Å; W421-H433 AromaticContact CD1-CE1 3.34Å; W421-H433 AromaticContact CD1-ND1 3.52Å; W421-H433 AromaticContact CE2-CE1 3.96Å; W421-H433 AromaticContact NE1-CE1 3.29Å; W421-H433 PolarHBondContact NE1-CE1 3.49Å; W421-H433 VanDerWaalsContact NE1-CE1 3.29Å; W421-H433 AromaticContact NE1-ND1 3.47Å; W421-H433 PolarHBondContact NE1-ND1 3.21Å; W421-H433 PolarHBondContact O-NE2 2.88Å; W421-F436 HydrophobicContact CB-CB 4.08Å; W421-I437 HydrophobicContact CD2-CD1 4Å; W421-I437 HydrophobicContact CE3-CD1 4.39Å; W421-I437 HydrophobicContact CG-CB 4.32Å; W421-I437 HydrophobicContact CG-CD1 4.33Å; W421-I437 HydrophobicContact CZ2-CD1 4.28Å |
| 422 | I | 88.9 | Confident | 88.1 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 175.5 | -63.8 | 160.7 | 0 | 0 | 0 | 110.8 | L367 L418 G419 | L367-I422 HydrophobicContact CD1-CD1 4.31Å; L367-I422 HydrophobicContact CD1-CG1 4.08Å; L367-I422 HydrophobicContact CD2-CD1 3.61Å; L367-I422 HydrophobicContact CD2-CG1 3.96Å; L418-I422 HydrophobicContact CD1-CD1 4.46Å; L418-I422 HydrophobicContact CG-CD1 4.14Å; L418-I422 VanDerWaalsContact O-CG1 3.26Å; L418-I422 WeakPolarHBondContact O-CG1 3.41Å; L418-I422 PolarHBondContact O-N 2.79Å; G419-I422 PolarHBondContact O-N 3.31Å |
| 423 | F | 87.8 | Confident | 88.5 | Confident | 144 Ų | 144 | 62 Ų | 62 | 63% | 0.632 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -94.4 | -2.5 | -166.8 | -64.1 | -60.6 | 0 | 0 | 0 | 115.4 | G419 L420 R427 | G419-F423 WeakPolarHBondContact O-CD2 3.49Å; G419-F423 PolarHBondContact O-N 3.25Å; G419-F423 VanDerWaalsContact O-N 3.09Å; L420-F423 PolarHBondContact O-N 2.75Å; F423-R427 WeakPolarHBondContact O-CD 3.13Å; F423-R427 PolarHBondContact O-NH1 2.7Å |
| 424 | T | 88.8 | Confident | 88.6 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | trans | -109.2 | 7.4 | -178.8 | 68.6 | 0 | 0 | 0 | 0 | 116 | L420 D426 R427 V428 F436 | L420-T424 HydrophobicContact CD2-CG2 4.45Å; L420-T424 VanDerWaalsContact O-CB 3.23Å; L420-T424 WeakPolarHBondContact O-CB 3.45Å; L420-T424 WeakPolarHBondContact O-CG2 3.09Å; L420-T424 PolarHBondContact O-N 3.19Å; L420-T424 PolarHBondContact O-OG1 2.67Å; T424-D426 PolarHBondContact O-N 2.95Å; T424-R427 PolarHBondContact O-N 2.68Å; T424-V428 HydrophobicContact CG2-CG1 4.23Å; T424-V428 PolarHBondContact O-N 3.29Å; T424-F436 WeakPolarHBondContact OG1-CE2 3.2Å | ||
| 425 | W | 83.6 | Confident | 88.9 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 127.9 | 164.7 | -79.4 | 103.6 | 0 | 0 | 0 | 110.3 | R356 K360 W421 R427 H433 | R356-W425 HydrophobicContact CG-CH2 4.05Å; R356-W425 HydrophobicContact CG-CZ3 3.66Å; K360-W425 HydrophobicContact CD-CD2 4.44Å; K360-W425 HydrophobicContact CD-CZ2 4.46Å; K360-W425 VanDerWaalsContact CE-CE2 3.48Å; K360-W425 VanDerWaalsContact CE-CE3 3.49Å; K360-W425 HydrophobicContact CG-CD2 4.42Å; K360-W425 HydrophobicContact CG-CH2 4.01Å; K360-W425 HydrophobicContact CG-CZ2 3.59Å; W421-W425 HydrophobicContact CH2-CZ2 4.42Å; W421-W425 AromaticContact CZ2-CZ2 3.77Å; W421-W425 HydrophobicContact CZ2-CZ2 3.77Å; W425-R427 PolarHBondContact O-N 2.87Å; W425-H433 WeakPolarHBondContact CA-NE2 3.43Å; W425-H433 AromaticContact CD1-CE1 3.97Å; W425-H433 AromaticContact CD1-NE2 3.71Å; W425-H433 AromaticContact CD2-CE1 3.43Å; W425-H433 VanDerWaalsContact CD2-CE1 3.43Å; W425-H433 AromaticContact CD2-NE2 3.45Å; W425-H433 AromaticContact CE2-CE1 3.29Å; W425-H433 AromaticContact CE2-NE2 3.74Å; W425-H433 AromaticContact CE3-CE1 3.82Å; W425-H433 AromaticContact CE3-NE2 3.93Å; W425-H433 AromaticContact CG-CE1 3.91Å; W425-H433 AromaticContact CG-NE2 3.48Å; W425-H433 AromaticContact CH2-CE1 3.97Å; W425-H433 AromaticContact CZ2-CE1 3.6Å; W425-H433 PolarHBondContact N-NE2 2.9Å; W425-H433 AromaticContact NE1-CE1 3.62Å; W425-H433 AromaticContact NE1-NE2 3.85Å |
| 426 | D | 83 | Confident | 89.2 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 65% | 0.652 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | -0.5 | -176.1 | -58.7 | -77.4 | 0 | 0 | 0 | 116.3 | R356 T424 | R356-D426 IonicContact CZ-OD1 3.53Å; R356-D426 IonicContact CZ-OD2 2.76Å; R356-D426 IonicContact NH1-OD1 3.47Å; R356-D426 IonicContact NH2-OD1 3.98Å; R356-D426 PolarHBondContact NH2-OD1 2.81Å; R356-D426 IonicContact NH2-OD2 3.47Å; R356-D426 PolarHBondContact NH2-OD2 3.43Å; T424-D426 PolarHBondContact O-N 2.95Å |
| 427 | R | 83.4 | Confident | 89.4 | Confident | 203 Ų | 203 | 60.1 Ų | 60.1 | 77% | 0.766 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -24.3 | 177.7 | -58.7 | -175.8 | -179.4 | 175.1 | -4.4 | 114.1 | F423 T424 W425 | F423-R427 WeakPolarHBondContact O-CD 3.13Å; F423-R427 PolarHBondContact O-NH1 2.7Å; T424-R427 PolarHBondContact O-N 2.68Å; W425-R427 PolarHBondContact O-N 2.87Å |
| 428 | V | 87.7 | Confident | 89.5 | Confident | 42 Ų | 42 | 62 Ų | 62 | 26% | 0.255 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -118.4 | 163.8 | 176.1 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | T424 L432 H433 F436 | T424-V428 HydrophobicContact CG2-CG1 4.23Å; T424-V428 PolarHBondContact O-N 3.29Å; V428-L432 HydrophobicContact CB-CD2 4.25Å; V428-L432 HydrophobicContact CG1-CD2 4.33Å; V428-H433 HydrophobicContact CG2-CB 3.88Å; V428-F436 HydrophobicContact CG1-CE2 4.5Å; V428-F436 HydrophobicContact CG2-CE2 4.11Å |
| 429 | K | 87.5 | Confident | 89.7 | Confident | 172 Ų | 172 | 63.9 Ų | 63.9 | 75% | 0.748 | 32% | 0.322 | S | S | * | . | trans | -60.2 | 138.4 | 173.7 | -66.7 | 178.6 | -179.8 | 174.6 | 0 | 109.6 | G431 L432 H433 | K429-G431 PolarHBondContact O-N 3.45Å; K429-G431 VanDerWaalsContact O-N 3.11Å; K429-L432 WeakPolarHBondContact O-CA 3.32Å; K429-L432 WeakPolarHBondContact O-CB 3.32Å; K429-L432 PolarHBondContact O-N 3.05Å; K429-H433 PolarHBondContact O-N 3.37Å | ||
| 430 | P | 86.2 | Confident | 90 | Very high | 62 Ų | 62 | 62.7 Ų | 62.7 | 40% | 0.403 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.3 | -32.7 | -178.4 | -28.7 | 35.4 | 0 | 0 | 0 | 114.7 | V348 L432 H433 V434 | V348-P430 HydrophobicContact CG2-CB 3.92Å; P430-L432 VanDerWaalsContact C-N 3.27Å; P430-L432 PolarHBondContact O-N 2.93Å; P430-H433 PolarHBondContact O-N 3.08Å; P430-V434 PolarHBondContact O-N 2.78Å |
| 431 | G | 87.5 | Confident | 90.1 | Very high | 48 Ų | 48 | 59.6 Ų | 59.6 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.3 | -18.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K429 | K429-G431 PolarHBondContact O-N 3.45Å; K429-G431 VanDerWaalsContact O-N 3.11Å |
| 432 | L | 89.7 | Confident | 90 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 38% | 0.382 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -91.7 | -35.5 | 171 | -179.2 | 59.6 | 0 | 0 | 0 | 110.9 | V428 K429 P430 V434 L435 F436 | V428-L432 HydrophobicContact CB-CD2 4.25Å; V428-L432 HydrophobicContact CG1-CD2 4.33Å; K429-L432 WeakPolarHBondContact O-CA 3.32Å; K429-L432 WeakPolarHBondContact O-CB 3.32Å; K429-L432 PolarHBondContact O-N 3.05Å; P430-L432 VanDerWaalsContact C-N 3.27Å; P430-L432 PolarHBondContact O-N 2.93Å; L432-V434 PolarHBondContact O-N 3.15Å; L432-L435 HydrophobicContact CD1-CD2 4.08Å; L432-L435 WeakPolarHBondContact O-CB 3.1Å; L432-L435 PolarHBondContact O-N 2.75Å; L432-F436 HydrophobicContact CD1-CD1 4.5Å; L432-F436 HydrophobicContact CD1-CE1 3.74Å; L432-F436 HydrophobicContact CD1-CZ 4.02Å; L432-F436 HydrophobicContact CD2-CZ 4.19Å; L432-F436 HydrophobicContact CG-CE1 3.97Å; L432-F436 HydrophobicContact CG-CE2 4.37Å; L432-F436 HydrophobicContact CG-CZ 3.73Å; L432-F436 PolarHBondContact O-N 2.91Å |
| 433 | H | 91.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.023 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 173.3 | -159.4 | -81.4 | 0 | 0 | 0 | 111.5 | E344 W421 W425 V428 K429 P430 L435 F436 | E344-H433 VanDerWaalsContact OE1-C 3.32Å; E344-H433 IonicContact OE1-CE1 2.76Å; E344-H433 IonicContact OE1-CG 3.88Å; E344-H433 IonicContact OE1-ND1 3.66Å; E344-H433 PolarHBondContact OE1-ND1 3.34Å; E344-H433 IonicContact OE2-ND1 3.93Å; E344-H433 PolarHBondContact OE2-ND1 2.89Å; W421-H433 AromaticContact CD1-CE1 3.34Å; W421-H433 AromaticContact CD1-ND1 3.52Å; W421-H433 AromaticContact CE2-CE1 3.96Å; W421-H433 AromaticContact NE1-CE1 3.29Å; W421-H433 PolarHBondContact NE1-CE1 3.49Å; W421-H433 VanDerWaalsContact NE1-CE1 3.29Å; W421-H433 AromaticContact NE1-ND1 3.47Å; W421-H433 PolarHBondContact NE1-ND1 3.21Å; W421-H433 PolarHBondContact O-NE2 2.88Å; W425-H433 WeakPolarHBondContact CA-NE2 3.43Å; W425-H433 AromaticContact CD1-CE1 3.97Å; W425-H433 AromaticContact CD1-NE2 3.71Å; W425-H433 AromaticContact CD2-CE1 3.43Å; W425-H433 VanDerWaalsContact CD2-CE1 3.43Å; W425-H433 AromaticContact CD2-NE2 3.45Å; W425-H433 AromaticContact CE2-CE1 3.29Å; W425-H433 AromaticContact CE2-NE2 3.74Å; W425-H433 AromaticContact CE3-CE1 3.82Å; W425-H433 AromaticContact CE3-NE2 3.93Å; W425-H433 AromaticContact CG-CE1 3.91Å; W425-H433 AromaticContact CG-NE2 3.48Å; W425-H433 AromaticContact CH2-CE1 3.97Å; W425-H433 AromaticContact CZ2-CE1 3.6Å; W425-H433 PolarHBondContact N-NE2 2.9Å; W425-H433 AromaticContact NE1-CE1 3.62Å; W425-H433 AromaticContact NE1-NE2 3.85Å; V428-H433 HydrophobicContact CG2-CB 3.88Å; K429-H433 PolarHBondContact O-N 3.37Å; P430-H433 PolarHBondContact O-N 3.08Å; H433-L435 VanDerWaalsContact C-N 3.27Å; H433-L435 PolarHBondContact O-N 3.48Å; H433-F436 WeakPolarHBondContact O-CB 3.39Å; H433-F436 PolarHBondContact O-N 2.83Å; H433-F436 VanDerWaalsContact O-N 3.08Å |
| 434 | V | 92.7 | Very high | 90.3 | Very high | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.1 | -24.2 | 178.4 | 75.9 | 0 | 0 | 0 | 0 | 112.6 | E344 V348 P430 L432 F436 I437 W438 | E344-V434 HydrophobicContact CB-CG2 3.98Å; E344-V434 HydrophobicContact CG-CB 4.05Å; E344-V434 HydrophobicContact CG-CG2 3.86Å; E344-V434 VanDerWaalsContact OE1-CA 3.29Å; E344-V434 WeakPolarHBondContact OE1-CA 3.26Å; E344-V434 PolarHBondContact OE1-N 3.15Å; V348-V434 HydrophobicContact CG2-CB 4.08Å; V348-V434 HydrophobicContact CG2-CG1 4.11Å; P430-V434 PolarHBondContact O-N 2.78Å; L432-V434 PolarHBondContact O-N 3.15Å; V434-F436 VanDerWaalsContact C-N 3.29Å; V434-F436 PolarHBondContact O-N 3.35Å; V434-I437 HydrophobicContact CG2-CG2 4.14Å; V434-I437 WeakPolarHBondContact O-CG2 3.23Å; V434-W438 PolarHBondContact O-N 2.99Å |
| 435 | L | 93.3 | Very high | 90.4 | Very high | 86 Ų | 86 | 55 Ų | 55 | 45% | 0.45 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 171.6 | -178.9 | 63.2 | 0 | 0 | 0 | 110.9 | L432 H433 W438 L439 | L432-L435 HydrophobicContact CD1-CD2 4.08Å; L432-L435 WeakPolarHBondContact O-CB 3.1Å; L432-L435 PolarHBondContact O-N 2.75Å; H433-L435 VanDerWaalsContact C-N 3.27Å; H433-L435 PolarHBondContact O-N 3.48Å; L435-W438 PolarHBondContact O-N 3.28Å; L435-L439 HydrophobicContact CD1-CD1 4.42Å; L435-L439 HydrophobicContact CD1-CG 4.39Å; L435-L439 HydrophobicContact CG-CD1 4Å; L435-L439 HydrophobicContact CG-CG 4.43Å; L435-L439 WeakPolarHBondContact O-CB 3.2Å; L435-L439 VanDerWaalsContact O-CG 3.29Å; L435-L439 WeakPolarHBondContact O-CG 3.41Å; L435-L439 PolarHBondContact O-N 2.94Å |
| 436 | F | 94.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 177.6 | -57.1 | -27.8 | 0 | 0 | 0 | 111.8 | F417 L420 W421 T424 V428 L432 H433 V434 W438 L439 V440 | F417-F436 HydrophobicContact CD1-CB 4.36Å; F417-F436 AromaticContact CD1-CD1 3.55Å; F417-F436 HydrophobicContact CD1-CD1 3.55Å; F417-F436 HydrophobicContact CD1-CE1 4.15Å; F417-F436 HydrophobicContact CD1-CG 4.2Å; F417-F436 AromaticContact CE1-CD1 3.86Å; F417-F436 HydrophobicContact CE1-CD1 3.86Å; F417-F436 HydrophobicContact CE1-CE1 4.06Å; L420-F436 HydrophobicContact CB-CD2 3.95Å; L420-F436 HydrophobicContact CB-CE2 4.02Å; L420-F436 HydrophobicContact CB-CG 4.33Å; L420-F436 HydrophobicContact CB-CZ 4.46Å; L420-F436 HydrophobicContact CD1-CE1 4.43Å; L420-F436 HydrophobicContact CD1-CZ 4.47Å; W421-F436 HydrophobicContact CB-CB 4.08Å; T424-F436 WeakPolarHBondContact OG1-CE2 3.2Å; V428-F436 HydrophobicContact CG1-CE2 4.5Å; V428-F436 HydrophobicContact CG2-CE2 4.11Å; L432-F436 HydrophobicContact CD1-CD1 4.5Å; L432-F436 HydrophobicContact CD1-CE1 3.74Å; L432-F436 HydrophobicContact CD1-CZ 4.02Å; L432-F436 HydrophobicContact CD2-CZ 4.19Å; L432-F436 HydrophobicContact CG-CE1 3.97Å; L432-F436 HydrophobicContact CG-CE2 4.37Å; L432-F436 HydrophobicContact CG-CZ 3.73Å; L432-F436 PolarHBondContact O-N 2.91Å; H433-F436 WeakPolarHBondContact O-CB 3.39Å; H433-F436 PolarHBondContact O-N 2.83Å; H433-F436 VanDerWaalsContact O-N 3.08Å; V434-F436 VanDerWaalsContact C-N 3.29Å; V434-F436 PolarHBondContact O-N 3.35Å; F436-W438 VanDerWaalsContact C-N 3.33Å; F436-W438 PolarHBondContact O-N 2.87Å; F436-L439 WeakPolarHBondContact O-CB 3.35Å; F436-L439 PolarHBondContact O-N 3.26Å; F436-L439 VanDerWaalsContact O-N 3.09Å; F436-V440 WeakPolarHBondContact O-CG2 3.24Å; F436-V440 PolarHBondContact O-N 3.35Å |
| 437 | I | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -30.8 | 179.2 | -164.5 | 67.8 | 0 | 0 | 0 | 113.1 | V337 V340 A341 F366 W421 V434 T441 | V337-I437 HydrophobicContact CG2-CD1 3.6Å; V337-I437 HydrophobicContact CG2-CG1 4.15Å; V340-I437 HydrophobicContact CB-CG1 4.47Å; V340-I437 HydrophobicContact CG1-CD1 4.17Å; V340-I437 HydrophobicContact CG1-CG1 4.06Å; A341-I437 HydrophobicContact CB-CG1 4.07Å; A341-I437 HydrophobicContact CB-CG2 3.91Å; F366-I437 HydrophobicContact CE1-CD1 4.33Å; W421-I437 HydrophobicContact CD2-CD1 4Å; W421-I437 HydrophobicContact CE3-CD1 4.39Å; W421-I437 HydrophobicContact CG-CB 4.32Å; W421-I437 HydrophobicContact CG-CD1 4.33Å; W421-I437 HydrophobicContact CZ2-CD1 4.28Å; V434-I437 HydrophobicContact CG2-CG2 4.14Å; V434-I437 WeakPolarHBondContact O-CG2 3.23Å; I437-T441 WeakPolarHBondContact O-CB 3.42Å; I437-T441 PolarHBondContact O-N 3.44Å; I437-T441 PolarHBondContact O-OG1 3.31Å |
| 438 | W | 95.2 | Very high | 91.4 | Very high | 89 Ų | 89 | 42.2 Ų | 42.2 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.1 | -36.5 | 169.7 | -82.3 | 112 | 0 | 0 | 0 | 112.4 | L338 A341 T345 V434 L435 F436 T441 I442 | L338-W438 HydrophobicContact CD1-CH2 3.76Å; L338-W438 HydrophobicContact CD1-CZ3 3.62Å; A341-W438 HydrophobicContact CB-CD2 4.03Å; A341-W438 HydrophobicContact CB-CE3 4.35Å; A341-W438 HydrophobicContact CB-CG 4.43Å; A341-W438 HydrophobicContact CB-CZ2 4.21Å; T345-W438 PolarHBondContact OG1-NE1 2.88Å; V434-W438 PolarHBondContact O-N 2.99Å; L435-W438 PolarHBondContact O-N 3.28Å; F436-W438 VanDerWaalsContact C-N 3.33Å; F436-W438 PolarHBondContact O-N 2.87Å; W438-T441 HydrophobicContact CE3-CG2 4.49Å; W438-T441 WeakPolarHBondContact O-CB 3.24Å; W438-T441 PolarHBondContact O-N 3.17Å; W438-I442 VanDerWaalsContact O-CG1 3.3Å; W438-I442 WeakPolarHBondContact O-CG1 3.29Å; W438-I442 PolarHBondContact O-N 2.83Å |
| 439 | L | 94.5 | Very high | 91.6 | Very high | 45 Ų | 45 | 41.1 Ų | 41.1 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -41 | 173.4 | -73.1 | 168.2 | 0 | 0 | 0 | 112 | L413 F417 L435 F436 I442 A443 | L413-L439 HydrophobicContact CD2-CB 4.43Å; F417-L439 HydrophobicContact CB-CB 4.23Å; F417-L439 HydrophobicContact CD1-CB 4.41Å; F417-L439 HydrophobicContact CD1-CD1 3.86Å; F417-L439 HydrophobicContact CD2-CB 3.97Å; F417-L439 HydrophobicContact CD2-CD1 4.16Å; F417-L439 HydrophobicContact CE1-CD1 3.65Å; F417-L439 HydrophobicContact CE2-CB 4.49Å; F417-L439 HydrophobicContact CE2-CD1 3.96Å; F417-L439 HydrophobicContact CG-CB 3.93Å; F417-L439 HydrophobicContact CG-CD1 4.12Å; F417-L439 HydrophobicContact CZ-CD1 3.71Å; L435-L439 HydrophobicContact CD1-CD1 4.42Å; L435-L439 HydrophobicContact CD1-CG 4.39Å; L435-L439 HydrophobicContact CG-CD1 4Å; L435-L439 HydrophobicContact CG-CG 4.43Å; L435-L439 WeakPolarHBondContact O-CB 3.2Å; L435-L439 VanDerWaalsContact O-CG 3.29Å; L435-L439 WeakPolarHBondContact O-CG 3.41Å; L435-L439 PolarHBondContact O-N 2.94Å; F436-L439 WeakPolarHBondContact O-CB 3.35Å; F436-L439 PolarHBondContact O-N 3.26Å; F436-L439 VanDerWaalsContact O-N 3.09Å; L439-I442 PolarHBondContact O-N 3.14Å; L439-A443 WeakPolarHBondContact O-CB 3.48Å; L439-A443 PolarHBondContact O-N 3.47Å |
| 440 | V | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -48.7 | 170.2 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | V337 F366 E414 F417 L418 F436 I442 A443 S444 | V337-V440 HydrophobicContact CG2-CB 4.18Å; V337-V440 HydrophobicContact CG2-CG1 3.75Å; F366-V440 HydrophobicContact CE1-CG1 4.29Å; F366-V440 HydrophobicContact CZ-CG1 3.87Å; E414-V440 HydrophobicContact CG-CG1 3.77Å; F417-V440 VanDerWaalsContact C-CG2 3.49Å; F417-V440 HydrophobicContact CB-CG2 3.78Å; L418-V440 HydrophobicContact CB-CG1 4.45Å; L418-V440 HydrophobicContact CB-CG2 3.99Å; L418-V440 HydrophobicContact CD1-CG1 4.42Å; L418-V440 VanDerWaalsContact N-CG2 3.3Å; F436-V440 WeakPolarHBondContact O-CG2 3.24Å; F436-V440 PolarHBondContact O-N 3.35Å; V440-I442 VanDerWaalsContact C-N 3.29Å; V440-I442 PolarHBondContact O-N 3.16Å; V440-A443 WeakPolarHBondContact O-CA 3.42Å; V440-A443 WeakPolarHBondContact O-CB 3.29Å; V440-A443 PolarHBondContact O-N 3.33Å; V440-S444 PolarHBondContact O-N 2.94Å; V440-S444 PolarHBondContact O-OG 2.97Å |
| 441 | T | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.6 | -42.8 | 178 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | V337 L338 I437 W438 M445 | V337-T441 HydrophobicContact CG1-CG2 4.24Å; L338-T441 HydrophobicContact CB-CG2 4.06Å; L338-T441 HydrophobicContact CD1-CG2 3.97Å; I437-T441 WeakPolarHBondContact O-CB 3.42Å; I437-T441 PolarHBondContact O-N 3.44Å; I437-T441 PolarHBondContact O-OG1 3.31Å; W438-T441 HydrophobicContact CE3-CG2 4.49Å; W438-T441 WeakPolarHBondContact O-CB 3.24Å; W438-T441 PolarHBondContact O-N 3.17Å; T441-M445 HydrophobicContact CG2-CE 4Å; T441-M445 VanDerWaalsContact O-CG 3.31Å; T441-M445 WeakPolarHBondContact O-CG 3.32Å; T441-M445 PolarHBondContact O-N 3.43Å |
| 442 | I | 93.2 | Very high | 91.7 | Very high | 88 Ų | 88 | 33.5 Ų | 33.5 | 45% | 0.451 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -68.8 | -37.4 | 176.1 | -68.1 | 163.7 | 0 | 0 | 0 | 110.8 | W438 L439 V440 M445 L446 | W438-I442 VanDerWaalsContact O-CG1 3.3Å; W438-I442 WeakPolarHBondContact O-CG1 3.29Å; W438-I442 PolarHBondContact O-N 2.83Å; L439-I442 PolarHBondContact O-N 3.14Å; V440-I442 VanDerWaalsContact C-N 3.29Å; V440-I442 PolarHBondContact O-N 3.16Å; I442-M445 PolarHBondContact O-N 3.32Å; I442-L446 HydrophobicContact CG2-CD1 3.98Å; I442-L446 HydrophobicContact CG2-CG 4.4Å; I442-L446 WeakPolarHBondContact O-CG 3.34Å; I442-L446 PolarHBondContact O-N 3.3Å |
| 443 | A | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L413 E414 L439 V440 M445 L446 S447 | L413-A443 HydrophobicContact CB-CB 4.46Å; L413-A443 HydrophobicContact CD2-CB 3.68Å; E414-A443 HydrophobicContact CB-CB 3.53Å; E414-A443 HydrophobicContact CG-CB 4.06Å; L439-A443 WeakPolarHBondContact O-CB 3.48Å; L439-A443 PolarHBondContact O-N 3.47Å; V440-A443 WeakPolarHBondContact O-CA 3.42Å; V440-A443 WeakPolarHBondContact O-CB 3.29Å; V440-A443 PolarHBondContact O-N 3.33Å; A443-M445 PolarHBondContact O-N 2.98Å; A443-L446 PolarHBondContact O-N 3.3Å; A443-S447 PolarHBondContact O-N 2.98Å |
| 444 | S | 90.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -35.3 | 176.1 | -31.8 | 0 | 0 | 0 | 0 | 111.7 | E414 V440 A448 | E414-S444 WeakPolarHBondContact OE1-CB 3.19Å; E414-S444 PolarHBondContact OE1-OG 3.42Å; V440-S444 PolarHBondContact O-N 2.94Å; V440-S444 PolarHBondContact O-OG 2.97Å; S444-A448 PolarHBondContact O-N 2.98Å; S444-A448 VanDerWaalsContact O-N 3.13Å |
| 445 | M | 91.3 | Very high | 91 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 20% | 0.197 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.9 | -37.8 | 174 | -68.4 | -178.5 | -178.5 | 0 | 0 | 112.4 | I334 T441 I442 A443 F449 F489 I493 | I334-M445 HydrophobicContact CG2-CG 4.33Å; T441-M445 HydrophobicContact CG2-CE 4Å; T441-M445 VanDerWaalsContact O-CG 3.31Å; T441-M445 WeakPolarHBondContact O-CG 3.32Å; T441-M445 PolarHBondContact O-N 3.43Å; I442-M445 PolarHBondContact O-N 3.32Å; A443-M445 PolarHBondContact O-N 2.98Å; M445-F449 PolarHBondContact O-N 3.25Å; M445-F489 WeakPolarHBondContact O-CE2 3.46Å; M445-I493 HydrophobicContact CB-CD1 4.42Å; M445-I493 HydrophobicContact CE-CG2 4.17Å; M445-I493 HydrophobicContact CG-CD1 4.07Å; M445-I493 HydrophobicContact SD-CG2 4.43Å |
| 446 | L | 91 | Very high | 90.7 | Very high | 69 Ų | 69 | 27.8 Ų | 27.8 | 36% | 0.361 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68.3 | -37.7 | 174.2 | -72.8 | 170.2 | 0 | 0 | 0 | 112 | A410 I442 A443 F449 W450 | A410-L446 HydrophobicContact CB-CB 4.08Å; I442-L446 HydrophobicContact CG2-CD1 3.98Å; I442-L446 HydrophobicContact CG2-CG 4.4Å; I442-L446 WeakPolarHBondContact O-CG 3.34Å; I442-L446 PolarHBondContact O-N 3.3Å; A443-L446 PolarHBondContact O-N 3.3Å; L446-F449 WeakPolarHBondContact O-CB 3.46Å; L446-F449 PolarHBondContact O-N 3.15Å; L446-W450 PolarHBondContact O-N 2.98Å; L446-W450 VanDerWaalsContact O-N 3.1Å |
| 447 | S | 89.2 | Confident | 90.4 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 11% | 0.105 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.5 | -54 | 172.4 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | E406 A443 F449 W450 I451 | E406-S447 WeakPolarHBondContact OE1-CB 3.2Å; E406-S447 PolarHBondContact OE1-OG 2.8Å; A443-S447 PolarHBondContact O-N 2.98Å; S447-F449 VanDerWaalsContact C-N 3.27Å; S447-F449 PolarHBondContact O-N 3.18Å; S447-W450 PolarHBondContact O-N 3.34Å; S447-W450 VanDerWaalsContact O-N 3.14Å; S447-I451 WeakPolarHBondContact O-CG1 3.42Å; S447-I451 PolarHBondContact O-N 3.18Å; S447-I451 VanDerWaalsContact O-N 3.07Å |
| 448 | A | 89.4 | Confident | 89.8 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.1 | -37.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | I334 S444 L452 I493 | I334-A448 HydrophobicContact CD1-CB 3.94Å; S444-A448 PolarHBondContact O-N 2.98Å; S444-A448 VanDerWaalsContact O-N 3.13Å; A448-L452 VanDerWaalsContact O-CB 3.27Å; A448-L452 WeakPolarHBondContact O-CB 3.44Å; A448-L452 WeakPolarHBondContact O-CG 3.31Å; A448-L452 PolarHBondContact O-N 3.16Å; A448-I493 HydrophobicContact CB-CD1 4.14Å |
| 449 | F | 92.1 | Very high | 89.1 | Confident | 20 Ų | 20 | 28.7 Ų | 28.7 | 9% | 0.088 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -47 | 175.5 | 179.6 | -91.6 | 0 | 0 | 0 | 112.4 | M445 L446 S447 L452 A453 I480 V485 W486 F489 | M445-F449 PolarHBondContact O-N 3.25Å; L446-F449 WeakPolarHBondContact O-CB 3.46Å; L446-F449 PolarHBondContact O-N 3.15Å; S447-F449 VanDerWaalsContact C-N 3.27Å; S447-F449 PolarHBondContact O-N 3.18Å; F449-L452 PolarHBondContact O-N 2.88Å; F449-A453 WeakPolarHBondContact O-CB 3.39Å; F449-A453 PolarHBondContact O-N 2.93Å; F449-I480 HydrophobicContact CE1-CG2 4.45Å; F449-I480 HydrophobicContact CZ-CG2 4.15Å; F449-V485 HydrophobicContact CD2-CG1 4.08Å; F449-V485 HydrophobicContact CE2-CG1 3.57Å; F449-V485 HydrophobicContact CZ-CG1 4.04Å; F449-W486 HydrophobicContact CE2-CH2 4.41Å; F449-W486 HydrophobicContact CE2-CZ2 4.16Å; F449-W486 HydrophobicContact CZ-CZ2 4.45Å; F449-F489 HydrophobicContact CB-CD2 4.03Å; F449-F489 HydrophobicContact CB-CE2 3.78Å; F449-F489 HydrophobicContact CB-CZ 4.46Å; F449-F489 HydrophobicContact CD2-CD1 4.48Å; F449-F489 HydrophobicContact CD2-CD2 4.11Å; F449-F489 HydrophobicContact CD2-CE2 4.32Å; F449-F489 HydrophobicContact CD2-CG 4.2Å |
| 450 | W | 89.5 | Confident | 88.6 | Confident | 31 Ų | 31 | 29.5 Ų | 29.5 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | -178.7 | -66.5 | 116 | 0 | 0 | 0 | 112.9 | P402 V405 E406 L446 S447 A453 A454 F476 I480 | P402-W450 HydrophobicContact CB-CE3 4.35Å; P402-W450 WeakPolarHBondContact CB-O 3.39Å; V405-W450 HydrophobicContact CB-CD2 4.15Å; V405-W450 HydrophobicContact CB-CE3 4.4Å; V405-W450 HydrophobicContact CB-CZ2 4.48Å; V405-W450 HydrophobicContact CG1-CD2 3.91Å; V405-W450 VanDerWaalsContact CG1-CE2 3.41Å; V405-W450 HydrophobicContact CG1-CE3 4.43Å; V405-W450 HydrophobicContact CG1-CG 4.42Å; V405-W450 HydrophobicContact CG1-CH2 4.14Å; V405-W450 HydrophobicContact CG1-CZ2 3.56Å; E406-W450 HydrophobicContact CB-CB 3.89Å; E406-W450 HydrophobicContact CG-CB 4.29Å; L446-W450 PolarHBondContact O-N 2.98Å; L446-W450 VanDerWaalsContact O-N 3.1Å; S447-W450 PolarHBondContact O-N 3.34Å; S447-W450 VanDerWaalsContact O-N 3.14Å; W450-A453 WeakPolarHBondContact O-CB 3.42Å; W450-A453 PolarHBondContact O-N 2.84Å; W450-A454 PolarHBondContact O-N 3.03Å; W450-F476 HydrophobicContact CH2-CZ 4.3Å; W450-F476 HydrophobicContact CZ3-CE2 4.47Å; W450-F476 AromaticContact CZ3-CZ 3.95Å; W450-F476 HydrophobicContact CZ3-CZ 3.95Å; W450-I480 HydrophobicContact CH2-CD1 3.81Å; W450-I480 HydrophobicContact CH2-CG1 4.47Å; W450-I480 HydrophobicContact CZ3-CD1 3.78Å; W450-I480 HydrophobicContact CZ3-CG1 4.03Å |
| 451 | I | 86.1 | Confident | 88.2 | Confident | 69 Ų | 69 | 32.3 Ų | 32.3 | 35% | 0.354 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.1 | -44.7 | 173.8 | -63 | 167.3 | 0 | 0 | 0 | 110.4 | E406 S447 A453 A454 N455 | E406-I451 HydrophobicContact CG-CD1 4.21Å; E406-I451 HydrophobicContact CG-CG1 3.9Å; S447-I451 WeakPolarHBondContact O-CG1 3.42Å; S447-I451 PolarHBondContact O-N 3.18Å; S447-I451 VanDerWaalsContact O-N 3.07Å; I451-A453 VanDerWaalsContact C-N 3.34Å; I451-A453 PolarHBondContact O-N 3.25Å; I451-A454 PolarHBondContact O-N 3.18Å; I451-N455 PolarHBondContact O-N 3.24Å; I451-N455 VanDerWaalsContact O-N 3.13Å |
| 452 | L | 88.9 | Confident | 87.9 | Confident | 21 Ų | 21 | 33.8 Ų | 33.8 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71 | -26.3 | 178.3 | -67.7 | 177.2 | 0 | 0 | 0 | 113.2 | A448 F449 A454 N455 S456 E488 F489 V492 | A448-L452 VanDerWaalsContact O-CB 3.27Å; A448-L452 WeakPolarHBondContact O-CB 3.44Å; A448-L452 WeakPolarHBondContact O-CG 3.31Å; A448-L452 PolarHBondContact O-N 3.16Å; F449-L452 PolarHBondContact O-N 2.88Å; L452-A454 VanDerWaalsContact C-N 3.34Å; L452-A454 PolarHBondContact O-N 2.83Å; L452-N455 PolarHBondContact O-N 2.9Å; L452-S456 WeakPolarHBondContact O-CB 3.47Å; L452-S456 PolarHBondContact O-N 3.43Å; L452-S456 PolarHBondContact O-OG 3.45Å; L452-E488 HydrophobicContact CD2-CG 4.08Å; L452-F489 HydrophobicContact CD1-CB 4.33Å; L452-F489 HydrophobicContact CD1-CD2 4.37Å; L452-V492 HydrophobicContact CD1-CB 3.82Å; L452-V492 HydrophobicContact CD1-CG1 4.02Å; L452-V492 HydrophobicContact CD1-CG2 3.98Å; L452-V492 HydrophobicContact CD2-CG2 4.38Å |
| 453 | A | 88.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F449 W450 I451 F457 V485 | F449-A453 WeakPolarHBondContact O-CB 3.39Å; F449-A453 PolarHBondContact O-N 2.93Å; W450-A453 WeakPolarHBondContact O-CB 3.42Å; W450-A453 PolarHBondContact O-N 2.84Å; I451-A453 VanDerWaalsContact C-N 3.34Å; I451-A453 PolarHBondContact O-N 3.25Å; A453-F457 PolarHBondContact O-N 3.08Å; A453-F457 VanDerWaalsContact O-N 3.12Å; A453-V485 HydrophobicContact CB-CG2 4.48Å |
| 454 | A | 84.5 | Confident | 87.4 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.9 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F399 P402 W450 I451 L452 S456 F457 M458 | F399-A454 HydrophobicContact CD1-CB 3.87Å; F399-A454 HydrophobicContact CE1-CB 3.63Å; F399-A454 HydrophobicContact CG-CB 4.41Å; F399-A454 HydrophobicContact CZ-CB 3.98Å; F399-A454 VanDerWaalsContact CZ-O 3.27Å; F399-A454 WeakPolarHBondContact CZ-O 3.37Å; P402-A454 HydrophobicContact CB-CB 4.4Å; W450-A454 PolarHBondContact O-N 3.03Å; I451-A454 PolarHBondContact O-N 3.18Å; L452-A454 VanDerWaalsContact C-N 3.34Å; L452-A454 PolarHBondContact O-N 2.83Å; A454-S456 PolarHBondContact O-N 2.99Å; A454-F457 WeakPolarHBondContact O-CB 3.24Å; A454-F457 PolarHBondContact O-N 2.94Å; A454-M458 PolarHBondContact O-N 2.78Å |
| 455 | N | 86 | Confident | 87.3 | Confident | 56 Ų | 56 | 36.1 Ų | 36.1 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.2 | -177.3 | 68.8 | 0 | 0 | 0 | 113.1 | I451 L452 F457 M458 Q459 E488 | I451-N455 PolarHBondContact O-N 3.24Å; I451-N455 VanDerWaalsContact O-N 3.13Å; L452-N455 PolarHBondContact O-N 2.9Å; N455-F457 VanDerWaalsContact C-N 3.32Å; N455-F457 PolarHBondContact O-N 3.22Å; N455-M458 WeakPolarHBondContact O-CB 3.18Å; N455-M458 PolarHBondContact O-N 2.93Å; N455-M458 VanDerWaalsContact O-N 3.14Å; N455-Q459 PolarHBondContact ND2-NE2 2.63Å; N455-Q459 PolarHBondContact O-N 2.95Å; N455-E488 VanDerWaalsContact ND2-CD 3.31Å; N455-E488 PolarHBondContact ND2-OE1 2.82Å; N455-E488 PolarHBondContact ND2-OE2 3.12Å |
| 456 | S | 87.8 | Confident | 87 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.1 | -28.1 | 176.8 | -80.2 | 0 | 0 | 0 | 0 | 112.8 | L452 A454 Q459 H460 N482 K484 V485 E488 | L452-S456 WeakPolarHBondContact O-CB 3.47Å; L452-S456 PolarHBondContact O-N 3.43Å; L452-S456 PolarHBondContact O-OG 3.45Å; A454-S456 PolarHBondContact O-N 2.99Å; S456-Q459 PolarHBondContact O-N 3.21Å; S456-H460 PolarHBondContact O-N 3.06Å; S456-N482 PolarHBondContact O-ND2 2.88Å; S456-K484 WeakPolarHBondContact OG-CG 3.4Å; S456-V485 VanDerWaalsContact CB-CG2 3.44Å; S456-V485 WeakPolarHBondContact OG-CA 3.44Å; S456-V485 PolarHBondContact OG-N 2.85Å; S456-E488 PolarHBondContact OG-OE2 2.98Å |
| 457 | F | 87 | Confident | 86.7 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 167.4 | 175.2 | -87.8 | 0 | 0 | 0 | 111.5 | I398 F399 A453 A454 N455 Q459 H460 P461 V462 Y464 | I398-F457 HydrophobicContact CD1-CE1 3.99Å; I398-F457 HydrophobicContact CD1-CE2 3.95Å; I398-F457 HydrophobicContact CD1-CZ 3.46Å; I398-F457 VanDerWaalsContact CD1-CZ 3.46Å; I398-F457 HydrophobicContact CG2-CD1 3.83Å; I398-F457 HydrophobicContact CG2-CD2 3.81Å; I398-F457 HydrophobicContact CG2-CE1 3.94Å; I398-F457 HydrophobicContact CG2-CE2 3.92Å; I398-F457 HydrophobicContact CG2-CG 3.79Å; I398-F457 HydrophobicContact CG2-CZ 4Å; F399-F457 HydrophobicContact CE2-CD1 4.1Å; A453-F457 PolarHBondContact O-N 3.08Å; A453-F457 VanDerWaalsContact O-N 3.12Å; A454-F457 WeakPolarHBondContact O-CB 3.24Å; A454-F457 PolarHBondContact O-N 2.94Å; N455-F457 VanDerWaalsContact C-N 3.32Å; N455-F457 PolarHBondContact O-N 3.22Å; F457-Q459 VanDerWaalsContact C-N 3.28Å; F457-Q459 PolarHBondContact O-N 3.35Å; F457-H460 CarbonylContact O-C 3.51Å; F457-H460 VanDerWaalsContact O-C 3.3Å; F457-H460 PolarHBondContact O-N 3.11Å; F457-P461 HydrophobicContact CD1-CB 4.49Å; F457-P461 HydrophobicContact CD2-CB 4.1Å; F457-P461 HydrophobicContact CE1-CB 4.08Å; F457-P461 HydrophobicContact CE2-CB 3.64Å; F457-P461 HydrophobicContact CG-CB 4.49Å; F457-P461 HydrophobicContact CZ-CB 3.62Å; F457-P461 WeakPolarHBondContact O-CA 3.13Å; F457-P461 WeakPolarHBondContact O-CB 3.23Å; F457-P461 WeakPolarHBondContact O-CD 3.16Å; F457-P461 VanDerWaalsContact O-N 3.08Å; F457-V462 WeakPolarHBondContact CE2-O 3.35Å; F457-Y464 AromaticContact CE2-CD1 3.79Å; F457-Y464 HydrophobicContact CE2-CD1 3.79Å; F457-Y464 HydrophobicContact CE2-CG 4.04Å; F457-Y464 AromaticContact CZ-CD1 3.99Å; F457-Y464 HydrophobicContact CZ-CD1 3.99Å; F457-Y464 HydrophobicContact CZ-CD2 4.46Å; F457-Y464 AromaticContact CZ-CG 3.96Å; F457-Y464 HydrophobicContact CZ-CG 3.96Å |
| 458 | M | 82 | Confident | 86.3 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 42% | 0.419 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 175.2 | -54.2 | -166.3 | -173.5 | 0 | 0 | 112.3 | Y391 F399 A454 N455 | Y391-M458 HydrophobicContact CE1-CE 4.16Å; Y391-M458 WeakPolarHBondContact OH-CE 3.31Å; F399-M458 HydrophobicContact CE1-CE 3.48Å; F399-M458 VanDerWaalsContact CE1-CE 3.48Å; F399-M458 HydrophobicContact CE2-CE 4.45Å; F399-M458 HydrophobicContact CE2-CG 4.29Å; F399-M458 HydrophobicContact CZ-CE 3.33Å; F399-M458 HydrophobicContact CZ-CG 3.64Å; F399-M458 HydrophobicContact CZ-SD 4.31Å; A454-M458 PolarHBondContact O-N 2.78Å; N455-M458 WeakPolarHBondContact O-CB 3.18Å; N455-M458 PolarHBondContact O-N 2.93Å; N455-M458 VanDerWaalsContact O-N 3.14Å |
| 459 | Q | 80.2 | Confident | 85.8 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 15% | 0.15 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -82.2 | -21.1 | -176.4 | -71.3 | -177.7 | 77 | 0 | 0 | 113.9 | N455 S456 F457 K484 E488 N557 | N455-Q459 PolarHBondContact ND2-NE2 2.63Å; N455-Q459 PolarHBondContact O-N 2.95Å; S456-Q459 PolarHBondContact O-N 3.21Å; F457-Q459 VanDerWaalsContact C-N 3.28Å; F457-Q459 PolarHBondContact O-N 3.35Å; Q459-K484 HydrophobicContact CB-CG 4.32Å; Q459-K484 VanDerWaalsContact CD-CE 3.46Å; Q459-E488 PolarHBondContact NE2-OE1 2.98Å; Q459-N557 PolarHBondContact O-ND2 2.96Å |
| 460 | H | 84.9 | Confident | 85.4 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 29% | 0.292 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -156.1 | 83.3 | -179.7 | -175.4 | -104.9 | 0 | 0 | 0 | 109.4 | S456 F457 V462 N482 K484 | S456-H460 PolarHBondContact O-N 3.06Å; F457-H460 CarbonylContact O-C 3.51Å; F457-H460 VanDerWaalsContact O-C 3.3Å; F457-H460 PolarHBondContact O-N 3.11Å; H460-V462 PolarHBondContact O-N 2.71Å; H460-N482 PolarHBondContact ND1-OD1 2.86Å; H460-N482 PolarHBondContact O-ND2 3.33Å; H460-K484 HydrophobicContact CB-CB 4.14Å |
| 461 | P | 85.8 | Confident | 85.2 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | trans | -77.4 | 124 | -170 | 29 | -35.1 | 0 | 0 | 0 | 112 | F457 Y464 | F457-P461 HydrophobicContact CD1-CB 4.49Å; F457-P461 HydrophobicContact CD2-CB 4.1Å; F457-P461 HydrophobicContact CE1-CB 4.08Å; F457-P461 HydrophobicContact CE2-CB 3.64Å; F457-P461 HydrophobicContact CG-CB 4.49Å; F457-P461 HydrophobicContact CZ-CB 3.62Å; F457-P461 WeakPolarHBondContact O-CA 3.13Å; F457-P461 WeakPolarHBondContact O-CB 3.23Å; F457-P461 WeakPolarHBondContact O-CD 3.16Å; F457-P461 VanDerWaalsContact O-N 3.08Å; P461-Y464 HydrophobicContact CB-CD1 4.21Å; P461-Y464 HydrophobicContact CB-CE1 3.71Å; P461-Y464 HydrophobicContact CG-CE1 4.28Å | ||
| 462 | V | 86.7 | Confident | 85.2 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | trans | -140.4 | 157.3 | -176.3 | -67.9 | 0 | 0 | 0 | 0 | 110.2 | F457 H460 Y464 A478 N482 | F457-V462 WeakPolarHBondContact CE2-O 3.35Å; H460-V462 PolarHBondContact O-N 2.71Å; V462-Y464 PolarHBondContact O-N 3.12Å; V462-A478 VanDerWaalsContact CG2-O 3.29Å; V462-A478 WeakPolarHBondContact CG2-O 3.07Å; V462-N482 HydrophobicContact CG2-CB 3.79Å | ||
| 463 | G | 85.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 67.9 | 31.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T474 D475 | G463-T474 PolarHBondContact O-N 3.3Å; G463-T474 PolarHBondContact O-OG1 2.95Å; G463-D475 PolarHBondContact O-N 3.4Å; G463-D475 VanDerWaalsContact O-N 3.08Å |
| 464 | Y | 89.2 | Confident | 85.1 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 164.6 | -179.1 | 80.2 | -73.3 | 0 | 0 | 0 | 113.4 | I398 F457 P461 V462 L466 A471 E472 T474 | I398-Y464 HydrophobicContact CD1-CG 4.32Å; F457-Y464 AromaticContact CE2-CD1 3.79Å; F457-Y464 HydrophobicContact CE2-CD1 3.79Å; F457-Y464 HydrophobicContact CE2-CG 4.04Å; F457-Y464 AromaticContact CZ-CD1 3.99Å; F457-Y464 HydrophobicContact CZ-CD1 3.99Å; F457-Y464 HydrophobicContact CZ-CD2 4.46Å; F457-Y464 AromaticContact CZ-CG 3.96Å; F457-Y464 HydrophobicContact CZ-CG 3.96Å; P461-Y464 HydrophobicContact CB-CD1 4.21Å; P461-Y464 HydrophobicContact CB-CE1 3.71Å; P461-Y464 HydrophobicContact CG-CE1 4.28Å; V462-Y464 PolarHBondContact O-N 3.12Å; Y464-L466 HydrophobicContact CD2-CD2 4.49Å; Y464-L466 HydrophobicContact CE2-CD2 4.18Å; Y464-L466 HydrophobicContact CE2-CG 4.13Å; Y464-A471 HydrophobicContact CD2-CB 4.1Å; Y464-E472 CarbonylContact C-O 3.35Å; Y464-E472 VanDerWaalsContact CA-O 3.25Å; Y464-E472 WeakPolarHBondContact CA-O 3.4Å; Y464-T474 WeakPolarHBondContact CA-OG1 3.26Å; Y464-T474 PolarHBondContact N-OG1 3.05Å |
| 465 | A | 87.6 | Confident | 85.3 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E472 T474 | A465-E472 PolarHBondContact N-O 2.87Å; A465-E472 PolarHBondContact O-N 3.03Å; A465-T474 HydrophobicContact CB-CG2 3.6Å |
| 466 | L | 85.4 | Confident | 85.3 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.8 | 173.1 | -64.9 | 173.7 | 0 | 0 | 0 | 109.9 | F394 Y464 R470 A471 | F394-L466 HydrophobicContact CE2-CD2 3.94Å; F394-L466 HydrophobicContact CZ-CD2 3.74Å; Y464-L466 HydrophobicContact CD2-CD2 4.49Å; Y464-L466 HydrophobicContact CE2-CD2 4.18Å; Y464-L466 HydrophobicContact CE2-CG 4.13Å; L466-R470 WeakPolarHBondContact CA-O 3.23Å; L466-A471 HydrophobicContact CD2-CB 4.04Å |
| 467 | R | 84.5 | Confident | 85.2 | Confident | 142 Ų | 142 | 67.1 Ų | 67.1 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141.4 | 174 | -62.5 | -162.4 | -173.2 | 133.7 | -6 | 109.6 | G469 R470 E472 | R467-G469 PolarHBondContact O-N 3.19Å; R467-R470 PolarHBondContact N-O 2.92Å; R467-R470 PolarHBondContact O-N 3.43Å; R467-R470 VanDerWaalsContact O-O 3.08Å; R467-E472 HydrophobicContact CB-CG 4.36Å; R467-E472 WeakPolarHBondContact CB-OE1 3.44Å; R467-E472 VanDerWaalsContact CD-OE2 3.31Å; R467-E472 WeakPolarHBondContact CD-OE2 3.16Å; R467-E472 IonicContact CZ-OE2 3.66Å; R467-E472 IonicContact NE-OE2 2.62Å; R467-E472 IonicContact NH1-OE2 2.83Å; R467-E472 PolarHBondContact NH1-OE2 2.84Å |
| 468 | N | 81.6 | Confident | 85.2 | Confident | 157 Ų | 157 | 67.9 Ų | 67.9 | 84% | 0.84 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 36.2 | 173.7 | -55.9 | -20 | 0 | 0 | 0 | 114.6 | R470 | N468-R470 VanDerWaalsContact C-N 3.34Å; N468-R470 PolarHBondContact O-N 3.37Å |
| 469 | G | 78.6 | Confident | 85.3 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 68% | 0.68 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 19.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F394 R467 | F394-G469 WeakPolarHBondContact CD2-O 3.49Å; R467-G469 PolarHBondContact O-N 3.19Å |
| 470 | R | 82.6 | Confident | 85.7 | Confident | 129 Ų | 129 | 64.5 Ų | 64.5 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 159.1 | 176.7 | -58.1 | -173.9 | -174.5 | -178.9 | 0.4 | 111.5 | R393 L466 R467 N468 | R393-R470 WeakPolarHBondContact O-CD 3.49Å; R393-R470 WeakPolarHBondContact O-CG 3.3Å; L466-R470 WeakPolarHBondContact CA-O 3.23Å; R467-R470 PolarHBondContact N-O 2.92Å; R467-R470 PolarHBondContact O-N 3.43Å; R467-R470 VanDerWaalsContact O-O 3.08Å; N468-R470 VanDerWaalsContact C-N 3.34Å; N468-R470 PolarHBondContact O-N 3.37Å |
| 471 | A | 86 | Confident | 85.8 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 2% | 0.017 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 101.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | F394 I398 Y464 L466 | F394-A471 HydrophobicContact CZ-CB 4.4Å; F394-A471 PolarHBondContact O-N 3.16Å; I398-A471 HydrophobicContact CD1-CB 3.57Å; I398-A471 VanDerWaalsContact CD1-O 3.31Å; I398-A471 WeakPolarHBondContact CD1-O 3.5Å; I398-A471 WeakPolarHBondContact CG1-O 3.41Å; Y464-A471 HydrophobicContact CD2-CB 4.1Å; L466-A471 HydrophobicContact CD2-CB 4.04Å |
| 472 | E | 86.2 | Confident | 85.9 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 140 | 175.2 | -65.4 | -179.6 | -167.7 | 0 | 0 | 110 | Y464 A465 R467 | Y464-E472 CarbonylContact C-O 3.35Å; Y464-E472 VanDerWaalsContact CA-O 3.25Å; Y464-E472 WeakPolarHBondContact CA-O 3.4Å; A465-E472 PolarHBondContact N-O 2.87Å; A465-E472 PolarHBondContact O-N 3.03Å; R467-E472 HydrophobicContact CB-CG 4.36Å; R467-E472 WeakPolarHBondContact CB-OE1 3.44Å; R467-E472 VanDerWaalsContact CD-OE2 3.31Å; R467-E472 WeakPolarHBondContact CD-OE2 3.16Å; R467-E472 IonicContact CZ-OE2 3.66Å; R467-E472 IonicContact NE-OE2 2.62Å; R467-E472 IonicContact NH1-OE2 2.83Å; R467-E472 PolarHBondContact NH1-OE2 2.84Å |
| 473 | M | 87.5 | Confident | 85.8 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 22% | 0.222 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127 | 173.8 | -166.4 | -173.1 | -64.6 | 0 | 0 | 110.7 | I398 A401 F476 V479 | I398-M473 HydrophobicContact CB-CE 4.46Å; I398-M473 HydrophobicContact CG1-CB 3.99Å; I398-M473 HydrophobicContact CG2-CE 4.35Å; A401-M473 HydrophobicContact CB-CE 3.88Å; M473-F476 HydrophobicContact CE-CD2 4.04Å; M473-F476 VanDerWaalsContact SD-CA 3.57Å; M473-F476 HydrophobicContact SD-CB 3.62Å; M473-F476 HydrophobicContact SD-CD2 3.66Å; M473-F476 HydrophobicContact SD-CG 4.12Å; M473-V479 HydrophobicContact CE-CG2 4.42Å; M473-V479 HydrophobicContact CG-CG2 4.41Å; M473-V479 HydrophobicContact SD-CG2 4.4Å |
| 474 | T | 88.1 | Confident | 85.9 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -108.5 | -24.8 | 176.9 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | G463 Y464 A465 | G463-T474 PolarHBondContact O-N 3.3Å; G463-T474 PolarHBondContact O-OG1 2.95Å; Y464-T474 WeakPolarHBondContact CA-OG1 3.26Å; Y464-T474 PolarHBondContact N-OG1 3.05Å; A465-T474 HydrophobicContact CB-CG2 3.6Å |
| 475 | D | 87.8 | Confident | 85.9 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | trans | -148.2 | 100.1 | 177.4 | -174.9 | -7.1 | 0 | 0 | 0 | 111.8 | G463 G477 A478 V479 | G463-D475 PolarHBondContact O-N 3.4Å; G463-D475 VanDerWaalsContact O-N 3.08Å; D475-G477 VanDerWaalsContact C-N 3.25Å; D475-G477 PolarHBondContact O-N 2.93Å; D475-G477 VanDerWaalsContact OD1-CA 3.24Å; D475-G477 WeakPolarHBondContact OD1-CA 3.23Å; D475-G477 PolarHBondContact OD1-N 2.92Å; D475-A478 HydrophobicContact CB-CB 3.88Å; D475-A478 PolarHBondContact O-N 2.74Å; D475-A478 PolarHBondContact OD1-N 2.9Å; D475-V479 PolarHBondContact O-N 3.24Å | ||
| 476 | F | 86.4 | Confident | 86 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -30.1 | 174 | -176.1 | -120.5 | 0 | 0 | 0 | 112.8 | A401 W450 M473 V479 I480 | A401-F476 HydrophobicContact CB-CE2 4.24Å; W450-F476 HydrophobicContact CH2-CZ 4.3Å; W450-F476 HydrophobicContact CZ3-CE2 4.47Å; W450-F476 AromaticContact CZ3-CZ 3.95Å; W450-F476 HydrophobicContact CZ3-CZ 3.95Å; M473-F476 HydrophobicContact CE-CD2 4.04Å; M473-F476 VanDerWaalsContact SD-CA 3.57Å; M473-F476 HydrophobicContact SD-CB 3.62Å; M473-F476 HydrophobicContact SD-CD2 3.66Å; M473-F476 HydrophobicContact SD-CG 4.12Å; F476-V479 PolarHBondContact O-N 3.33Å; F476-I480 HydrophobicContact CD1-CD1 3.91Å; F476-I480 HydrophobicContact CE1-CD1 3.5Å; F476-I480 VanDerWaalsContact CE1-CD1 3.5Å; F476-I480 HydrophobicContact CE2-CD1 4.2Å; F476-I480 HydrophobicContact CG-CD1 4.44Å; F476-I480 HydrophobicContact CZ-CD1 3.67Å; F476-I480 HydrophobicContact CZ-CG1 4.44Å; F476-I480 PolarHBondContact O-N 3.43Å; F476-I480 VanDerWaalsContact O-N 3.11Å |
| 477 | G | 86.2 | Confident | 86.2 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D475 V479 I480 A481 | D475-G477 VanDerWaalsContact C-N 3.25Å; D475-G477 PolarHBondContact O-N 2.93Å; D475-G477 VanDerWaalsContact OD1-CA 3.24Å; D475-G477 WeakPolarHBondContact OD1-CA 3.23Å; D475-G477 PolarHBondContact OD1-N 2.92Å; G477-V479 PolarHBondContact O-N 3.46Å; G477-I480 PolarHBondContact O-N 2.87Å; G477-A481 WeakPolarHBondContact O-CB 3.3Å; G477-A481 PolarHBondContact O-N 3.28Å |
| 478 | A | 86.7 | Confident | 86.4 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 22% | 0.223 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.4 | -35.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V462 D475 N482 | V462-A478 VanDerWaalsContact CG2-O 3.29Å; V462-A478 WeakPolarHBondContact CG2-O 3.07Å; D475-A478 HydrophobicContact CB-CB 3.88Å; D475-A478 PolarHBondContact O-N 2.74Å; D475-A478 PolarHBondContact OD1-N 2.9Å; A478-N482 PolarHBondContact O-N 3.27Å |
| 479 | V | 84.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | M473 D475 F476 G477 N482 | M473-V479 HydrophobicContact CE-CG2 4.42Å; M473-V479 HydrophobicContact CG-CG2 4.41Å; M473-V479 HydrophobicContact SD-CG2 4.4Å; D475-V479 PolarHBondContact O-N 3.24Å; F476-V479 PolarHBondContact O-N 3.33Å; G477-V479 PolarHBondContact O-N 3.46Å; V479-N482 WeakPolarHBondContact O-CB 3.4Å; V479-N482 PolarHBondContact O-N 2.84Å |
| 480 | I | 86.8 | Confident | 87.4 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71 | -38.2 | 177.3 | -68.4 | 174.7 | 0 | 0 | 0 | 112.1 | F449 W450 F476 G477 N482 W486 | F449-I480 HydrophobicContact CE1-CG2 4.45Å; F449-I480 HydrophobicContact CZ-CG2 4.15Å; W450-I480 HydrophobicContact CH2-CD1 3.81Å; W450-I480 HydrophobicContact CH2-CG1 4.47Å; W450-I480 HydrophobicContact CZ3-CD1 3.78Å; W450-I480 HydrophobicContact CZ3-CG1 4.03Å; F476-I480 HydrophobicContact CD1-CD1 3.91Å; F476-I480 HydrophobicContact CE1-CD1 3.5Å; F476-I480 VanDerWaalsContact CE1-CD1 3.5Å; F476-I480 HydrophobicContact CE2-CD1 4.2Å; F476-I480 HydrophobicContact CG-CD1 4.44Å; F476-I480 HydrophobicContact CZ-CD1 3.67Å; F476-I480 HydrophobicContact CZ-CG1 4.44Å; F476-I480 PolarHBondContact O-N 3.43Å; F476-I480 VanDerWaalsContact O-N 3.11Å; G477-I480 PolarHBondContact O-N 2.87Å; I480-N482 PolarHBondContact O-N 2.98Å; I480-W486 PolarHBondContact O-NE1 2.95Å |
| 481 | A | 88.3 | Confident | 87.9 | Confident | 66 Ų | 66 | 46 Ų | 46 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G477 P483 | G477-A481 WeakPolarHBondContact O-CB 3.3Å; G477-A481 PolarHBondContact O-N 3.28Å; A481-P483 WeakPolarHBondContact O-CD 3.31Å; A481-P483 VanDerWaalsContact O-N 3.15Å |
| 482 | N | 86.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | trans | -55.2 | 116.6 | 178.4 | -177.5 | -2.8 | 0 | 0 | 0 | 110.2 | S456 H460 V462 A478 V479 I480 K484 V485 | S456-N482 PolarHBondContact O-ND2 2.88Å; H460-N482 PolarHBondContact ND1-OD1 2.86Å; H460-N482 PolarHBondContact O-ND2 3.33Å; V462-N482 HydrophobicContact CG2-CB 3.79Å; A478-N482 PolarHBondContact O-N 3.27Å; V479-N482 WeakPolarHBondContact O-CB 3.4Å; V479-N482 PolarHBondContact O-N 2.84Å; I480-N482 PolarHBondContact O-N 2.98Å; N482-K484 PolarHBondContact O-N 3.04Å; N482-K484 PolarHBondContact OD1-N 2.82Å; N482-V485 HydrophobicContact CB-CG2 3.95Å; N482-V485 WeakPolarHBondContact O-CB 3.36Å; N482-V485 PolarHBondContact O-N 2.89Å | ||
| 483 | P | 86.6 | Confident | 88.4 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.4 | -30 | -174.3 | -28.1 | 35.7 | 0 | 0 | 0 | 113.6 | A481 V485 W486 Y487 | A481-P483 WeakPolarHBondContact O-CD 3.31Å; A481-P483 VanDerWaalsContact O-N 3.15Å; P483-V485 VanDerWaalsContact C-N 3.26Å; P483-V485 PolarHBondContact O-N 2.53Å; P483-W486 PolarHBondContact O-N 2.82Å; P483-Y487 HydrophobicContact CB-CE2 4.2Å; P483-Y487 WeakPolarHBondContact O-CD2 3.12Å; P483-Y487 PolarHBondContact O-N 3.26Å |
| 484 | K | 87 | Confident | 88.7 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.4 | -37.9 | 177.4 | -172.4 | 67.2 | 178 | -167 | 0 | 112.4 | S456 Q459 H460 N482 W486 Y487 E488 | S456-K484 WeakPolarHBondContact OG-CG 3.4Å; Q459-K484 HydrophobicContact CB-CG 4.32Å; Q459-K484 VanDerWaalsContact CD-CE 3.46Å; H460-K484 HydrophobicContact CB-CB 4.14Å; N482-K484 PolarHBondContact O-N 3.04Å; N482-K484 PolarHBondContact OD1-N 2.82Å; K484-W486 VanDerWaalsContact C-N 3.33Å; K484-W486 PolarHBondContact O-N 3.29Å; K484-Y487 PolarHBondContact O-N 3.01Å; K484-E488 VanDerWaalsContact O-CB 3.23Å; K484-E488 WeakPolarHBondContact O-CB 3.17Å; K484-E488 PolarHBondContact O-N 2.95Å |
| 485 | V | 88.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | F449 A453 S456 N482 P483 E488 F489 | F449-V485 HydrophobicContact CD2-CG1 4.08Å; F449-V485 HydrophobicContact CE2-CG1 3.57Å; F449-V485 HydrophobicContact CZ-CG1 4.04Å; A453-V485 HydrophobicContact CB-CG2 4.48Å; S456-V485 VanDerWaalsContact CB-CG2 3.44Å; S456-V485 WeakPolarHBondContact OG-CA 3.44Å; S456-V485 PolarHBondContact OG-N 2.85Å; N482-V485 HydrophobicContact CB-CG2 3.95Å; N482-V485 WeakPolarHBondContact O-CB 3.36Å; N482-V485 PolarHBondContact O-N 2.89Å; P483-V485 VanDerWaalsContact C-N 3.26Å; P483-V485 PolarHBondContact O-N 2.53Å; V485-E488 PolarHBondContact O-N 3.48Å; V485-F489 WeakPolarHBondContact O-CB 3.07Å; V485-F489 PolarHBondContact O-N 2.9Å |
| 486 | W | 89.7 | Confident | 89.1 | Confident | 150 Ų | 150 | 38.2 Ų | 38.2 | 57% | 0.568 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -71.3 | -35.9 | -174.5 | -68.1 | 91.1 | 0 | 0 | 0 | 112.8 | F449 I480 P483 K484 G490 | F449-W486 HydrophobicContact CE2-CH2 4.41Å; F449-W486 HydrophobicContact CE2-CZ2 4.16Å; F449-W486 HydrophobicContact CZ-CZ2 4.45Å; I480-W486 PolarHBondContact O-NE1 2.95Å; P483-W486 PolarHBondContact O-N 2.82Å; K484-W486 VanDerWaalsContact C-N 3.33Å; K484-W486 PolarHBondContact O-N 3.29Å; W486-G490 PolarHBondContact O-N 2.94Å; W486-G490 VanDerWaalsContact O-N 3.16Å |
| 487 | Y | 89.7 | Confident | 89.4 | Confident | 101 Ų | 101 | 35.4 Ų | 35.4 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.7 | -45.2 | 171.5 | -61.9 | -61.4 | 0 | 0 | 0 | 112.1 | P483 K484 H491 A548 A552 | P483-Y487 HydrophobicContact CB-CE2 4.2Å; P483-Y487 WeakPolarHBondContact O-CD2 3.12Å; P483-Y487 PolarHBondContact O-N 3.26Å; K484-Y487 PolarHBondContact O-N 3.01Å; Y487-H491 PolarHBondContact O-N 2.69Å; Y487-A548 HydrophobicContact CD1-CB 3.96Å; Y487-A548 HydrophobicContact CE1-CB 4.13Å; Y487-A552 HydrophobicContact CD2-CB 3.64Å; Y487-A552 HydrophobicContact CE2-CB 3.6Å; Y487-A552 HydrophobicContact CG-CB 4.14Å |
| 488 | E | 88.4 | Confident | 89.7 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 7% | 0.065 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72 | -43.6 | -175.8 | -170.2 | 161.2 | -98.1 | 0 | 0 | 112.3 | L452 N455 S456 Q459 K484 V485 H491 V492 | L452-E488 HydrophobicContact CD2-CG 4.08Å; N455-E488 VanDerWaalsContact ND2-CD 3.31Å; N455-E488 PolarHBondContact ND2-OE1 2.82Å; N455-E488 PolarHBondContact ND2-OE2 3.12Å; S456-E488 PolarHBondContact OG-OE2 2.98Å; Q459-E488 PolarHBondContact NE2-OE1 2.98Å; K484-E488 VanDerWaalsContact O-CB 3.23Å; K484-E488 WeakPolarHBondContact O-CB 3.17Å; K484-E488 PolarHBondContact O-N 2.95Å; V485-E488 PolarHBondContact O-N 3.48Å; E488-H491 PolarHBondContact O-N 3.43Å; E488-V492 HydrophobicContact CG-CG2 4.37Å; E488-V492 WeakPolarHBondContact O-CB 3.23Å; E488-V492 VanDerWaalsContact O-CG2 3.27Å; E488-V492 WeakPolarHBondContact O-CG2 3.12Å; E488-V492 PolarHBondContact O-N 2.77Å |
| 489 | F | 91.6 | Very high | 90 | Very high | 45 Ų | 45 | 34.4 Ų | 34.4 | 20% | 0.197 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 171.7 | 179.7 | -106.9 | 0 | 0 | 0 | 111.6 | M445 F449 L452 V485 H491 V492 I493 | M445-F489 WeakPolarHBondContact O-CE2 3.46Å; F449-F489 HydrophobicContact CB-CD2 4.03Å; F449-F489 HydrophobicContact CB-CE2 3.78Å; F449-F489 HydrophobicContact CB-CZ 4.46Å; F449-F489 HydrophobicContact CD2-CD1 4.48Å; F449-F489 HydrophobicContact CD2-CD2 4.11Å; F449-F489 HydrophobicContact CD2-CE2 4.32Å; F449-F489 HydrophobicContact CD2-CG 4.2Å; L452-F489 HydrophobicContact CD1-CB 4.33Å; L452-F489 HydrophobicContact CD1-CD2 4.37Å; V485-F489 WeakPolarHBondContact O-CB 3.07Å; V485-F489 PolarHBondContact O-N 2.9Å; F489-H491 VanDerWaalsContact C-N 3.32Å; F489-H491 PolarHBondContact O-N 2.97Å; F489-V492 PolarHBondContact O-N 3.49Å; F489-I493 HydrophobicContact CD1-CG1 4.47Å; F489-I493 HydrophobicContact CD2-CD1 4.34Å; F489-I493 HydrophobicContact CD2-CG1 3.76Å; F489-I493 HydrophobicContact CE1-CG1 4.23Å; F489-I493 HydrophobicContact CE2-CD1 3.84Å; F489-I493 HydrophobicContact CE2-CG1 3.47Å; F489-I493 VanDerWaalsContact CE2-CG1 3.47Å; F489-I493 HydrophobicContact CG-CG1 4.25Å; F489-I493 HydrophobicContact CZ-CD1 4.37Å; F489-I493 HydrophobicContact CZ-CG1 3.74Å; F489-I493 WeakPolarHBondContact O-CB 3.28Å; F489-I493 WeakPolarHBondContact O-CG1 3.45Å; F489-I493 PolarHBondContact O-N 2.74Å |
| 490 | G | 90.7 | Very high | 90.3 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W486 A494 | W486-G490 PolarHBondContact O-N 2.94Å; W486-G490 VanDerWaalsContact O-N 3.16Å; G490-A494 VanDerWaalsContact O-CB 3.28Å; G490-A494 WeakPolarHBondContact O-CB 3.47Å; G490-A494 PolarHBondContact O-N 2.84Å |
| 491 | H | 91.4 | Very high | 90.6 | Very high | 30 Ų | 30 | 32.2 Ų | 32.2 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.4 | -47.7 | 177.7 | -175.3 | 81.9 | 0 | 0 | 0 | 112.5 | Y487 E488 F489 A494 A495 A545 Q549 | Y487-H491 PolarHBondContact O-N 2.69Å; E488-H491 PolarHBondContact O-N 3.43Å; F489-H491 VanDerWaalsContact C-N 3.32Å; F489-H491 PolarHBondContact O-N 2.97Å; H491-A494 PolarHBondContact O-N 2.95Å; H491-A495 WeakPolarHBondContact O-CB 3.36Å; H491-A495 PolarHBondContact O-N 2.82Å; H491-A545 HydrophobicContact CB-CB 4.1Å; H491-Q549 PolarHBondContact CD2-OE1 3.35Å; H491-Q549 VanDerWaalsContact CG-OE1 3.26Å |
| 492 | V | 91.2 | Very high | 90.8 | Very high | 42 Ų | 42 | 31.3 Ų | 31.3 | 26% | 0.255 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.7 | -41.6 | -177.4 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | L452 E488 F489 A495 A496 | L452-V492 HydrophobicContact CD1-CB 3.82Å; L452-V492 HydrophobicContact CD1-CG1 4.02Å; L452-V492 HydrophobicContact CD1-CG2 3.98Å; L452-V492 HydrophobicContact CD2-CG2 4.38Å; E488-V492 HydrophobicContact CG-CG2 4.37Å; E488-V492 WeakPolarHBondContact O-CB 3.23Å; E488-V492 VanDerWaalsContact O-CG2 3.27Å; E488-V492 WeakPolarHBondContact O-CG2 3.12Å; E488-V492 PolarHBondContact O-N 2.77Å; F489-V492 PolarHBondContact O-N 3.49Å; V492-A495 PolarHBondContact O-N 3.17Å; V492-A496 WeakPolarHBondContact O-CB 3.36Å; V492-A496 PolarHBondContact O-N 3.24Å |
| 493 | I | 92.8 | Very high | 91 | Very high | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 175.7 | -64 | -55.2 | 0 | 0 | 0 | 110.9 | I334 M445 A448 F489 A495 A496 I497 | I334-I493 HydrophobicContact CG2-CD1 4.14Å; M445-I493 HydrophobicContact CB-CD1 4.42Å; M445-I493 HydrophobicContact CE-CG2 4.17Å; M445-I493 HydrophobicContact CG-CD1 4.07Å; M445-I493 HydrophobicContact SD-CG2 4.43Å; A448-I493 HydrophobicContact CB-CD1 4.14Å; F489-I493 HydrophobicContact CD1-CG1 4.47Å; F489-I493 HydrophobicContact CD2-CD1 4.34Å; F489-I493 HydrophobicContact CD2-CG1 3.76Å; F489-I493 HydrophobicContact CE1-CG1 4.23Å; F489-I493 HydrophobicContact CE2-CD1 3.84Å; F489-I493 HydrophobicContact CE2-CG1 3.47Å; F489-I493 VanDerWaalsContact CE2-CG1 3.47Å; F489-I493 HydrophobicContact CG-CG1 4.25Å; F489-I493 HydrophobicContact CZ-CD1 4.37Å; F489-I493 HydrophobicContact CZ-CG1 3.74Å; F489-I493 WeakPolarHBondContact O-CB 3.28Å; F489-I493 WeakPolarHBondContact O-CG1 3.45Å; F489-I493 PolarHBondContact O-N 2.74Å; I493-A495 VanDerWaalsContact C-N 3.32Å; I493-A495 PolarHBondContact O-N 2.84Å; I493-A496 PolarHBondContact O-N 3.44Å; I493-I497 HydrophobicContact CG2-CD1 3.84Å; I493-I497 HydrophobicContact CG2-CG1 4.4Å; I493-I497 WeakPolarHBondContact O-CB 3.33Å; I493-I497 WeakPolarHBondContact O-CG1 3.41Å; I493-I497 PolarHBondContact O-N 3.22Å |
| 494 | A | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | G490 H491 I497 T498 M541 V542 | G490-A494 VanDerWaalsContact O-CB 3.28Å; G490-A494 WeakPolarHBondContact O-CB 3.47Å; G490-A494 PolarHBondContact O-N 2.84Å; H491-A494 PolarHBondContact O-N 2.95Å; A494-I497 PolarHBondContact O-N 3.3Å; A494-T498 WeakPolarHBondContact O-CB 3.43Å; A494-T498 PolarHBondContact O-N 3.14Å; A494-T498 PolarHBondContact O-OG1 2.75Å; A494-M541 HydrophobicContact CB-CB 3.62Å; A494-V542 HydrophobicContact CB-CB 4.44Å; A494-V542 HydrophobicContact CB-CG2 3.66Å; A494-V542 WeakPolarHBondContact O-CG2 3.42Å |
| 495 | A | 91.7 | Very high | 91.2 | Very high | 36 Ų | 36 | 29.5 Ų | 29.5 | 30% | 0.298 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.7 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H491 V492 I493 T498 M499 V542 | H491-A495 WeakPolarHBondContact O-CB 3.36Å; H491-A495 PolarHBondContact O-N 2.82Å; V492-A495 PolarHBondContact O-N 3.17Å; I493-A495 VanDerWaalsContact C-N 3.32Å; I493-A495 PolarHBondContact O-N 2.84Å; A495-T498 WeakPolarHBondContact O-CB 3.48Å; A495-T498 PolarHBondContact O-N 3.36Å; A495-M499 WeakPolarHBondContact O-CB 3.33Å; A495-M499 PolarHBondContact O-N 2.99Å; A495-V542 HydrophobicContact CB-CG2 4.28Å |
| 496 | A | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P331 I334 G335 V492 I493 T498 M499 G500 | P331-A496 HydrophobicContact CB-CB 4.03Å; P331-A496 WeakPolarHBondContact O-CB 2.97Å; I334-A496 HydrophobicContact CB-CB 4.02Å; I334-A496 HydrophobicContact CG2-CB 3.86Å; G335-A496 WeakPolarHBondContact CA-O 3.35Å; V492-A496 WeakPolarHBondContact O-CB 3.36Å; V492-A496 PolarHBondContact O-N 3.24Å; I493-A496 PolarHBondContact O-N 3.44Å; A496-T498 VanDerWaalsContact C-N 3.32Å; A496-T498 PolarHBondContact O-N 3.25Å; A496-M499 PolarHBondContact O-N 2.88Å; A496-G500 PolarHBondContact O-N 3.24Å |
| 497 | I | 93.7 | Very high | 91.1 | Very high | 21 Ų | 21 | 27.6 Ų | 27.6 | 11% | 0.108 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 175 | -68.5 | 170.7 | 0 | 0 | 0 | 110.7 | L338 I493 A494 G501 V534 | L338-I497 HydrophobicContact CD2-CD1 3.96Å; L338-I497 HydrophobicContact CD2-CG1 3.74Å; L338-I497 HydrophobicContact CD2-CG2 4.26Å; I493-I497 HydrophobicContact CG2-CD1 3.84Å; I493-I497 HydrophobicContact CG2-CG1 4.4Å; I493-I497 WeakPolarHBondContact O-CB 3.33Å; I493-I497 WeakPolarHBondContact O-CG1 3.41Å; I493-I497 PolarHBondContact O-N 3.22Å; A494-I497 PolarHBondContact O-N 3.3Å; I497-G501 PolarHBondContact O-N 3.06Å; I497-V534 HydrophobicContact CG2-CG1 3.69Å; I497-V534 WeakPolarHBondContact O-CG1 3.35Å |
| 498 | T | 93 | Very high | 90.9 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 176.5 | -54 | 0 | 0 | 0 | 0 | 111.2 | A494 A495 A496 G501 M502 T535 G538 S539 V542 M652 | A494-T498 WeakPolarHBondContact O-CB 3.43Å; A494-T498 PolarHBondContact O-N 3.14Å; A494-T498 PolarHBondContact O-OG1 2.75Å; A495-T498 WeakPolarHBondContact O-CB 3.48Å; A495-T498 PolarHBondContact O-N 3.36Å; A496-T498 VanDerWaalsContact C-N 3.32Å; A496-T498 PolarHBondContact O-N 3.25Å; T498-G501 PolarHBondContact O-N 2.78Å; T498-M502 WeakPolarHBondContact O-CB 3.44Å; T498-M502 PolarHBondContact O-N 2.59Å; T498-T535 HydrophobicContact CG2-CG2 4.02Å; T498-G538 VanDerWaalsContact OG1-CA 3.27Å; T498-G538 WeakPolarHBondContact OG1-CA 3.38Å; T498-G538 PolarHBondContact OG1-O 3.2Å; T498-S539 WeakPolarHBondContact CG2-OG 3.33Å; T498-S539 PolarHBondContact OG1-N 2.9Å; T498-V542 WeakPolarHBondContact OG1-CG2 3.3Å; T498-M652 HydrophobicContact CG2-CB 4.41Å; T498-M652 HydrophobicContact CG2-SD 3.95Å |
| 499 | M | 92.2 | Very high | 90.7 | Very high | 39 Ų | 39 | 23.8 Ų | 23.8 | 19% | 0.192 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | -178.9 | -174.6 | 178.9 | -170.9 | 0 | 0 | 112 | F328 P331 F332 A495 A496 M502 I503 | F328-M499 HydrophobicContact CD1-CE 4.42Å; F328-M499 HydrophobicContact CD2-CE 3.49Å; F328-M499 VanDerWaalsContact CD2-CE 3.49Å; F328-M499 HydrophobicContact CE1-CE 4.4Å; F328-M499 HydrophobicContact CE2-CE 3.46Å; F328-M499 VanDerWaalsContact CE2-CE 3.46Å; F328-M499 HydrophobicContact CG-CE 3.99Å; F328-M499 HydrophobicContact CZ-CE 3.94Å; F328-M499 WeakPolarHBondContact O-CE 3.42Å; P331-M499 HydrophobicContact CB-SD 3.96Å; F332-M499 HydrophobicContact CB-CE 4Å; F332-M499 HydrophobicContact CB-SD 4.18Å; A495-M499 WeakPolarHBondContact O-CB 3.33Å; A495-M499 PolarHBondContact O-N 2.99Å; A496-M499 PolarHBondContact O-N 2.88Å; M499-M502 PolarHBondContact O-N 3.27Å; M499-I503 HydrophobicContact CE-CD1 3.88Å; M499-I503 HydrophobicContact CG-CD1 3.7Å; M499-I503 HydrophobicContact CG-CG1 4.46Å; M499-I503 WeakPolarHBondContact O-CB 3.26Å; M499-I503 VanDerWaalsContact O-CG1 3.31Å; M499-I503 WeakPolarHBondContact O-CG1 3.49Å; M499-I503 PolarHBondContact O-N 2.65Å |
| 500 | G | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A496 M502 A504 | A496-G500 PolarHBondContact O-N 3.24Å; G500-M502 PolarHBondContact O-N 2.88Å; G500-A504 WeakPolarHBondContact O-CB 3.2Å; G500-A504 PolarHBondContact O-N 3.19Å |
| 501 | G | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | I497 T498 A504 A505 G531 T535 | I497-G501 PolarHBondContact O-N 3.06Å; T498-G501 PolarHBondContact O-N 2.78Å; G501-A504 PolarHBondContact O-N 2.87Å; G501-A505 WeakPolarHBondContact O-CB 3.5Å; G501-A505 PolarHBondContact O-N 3.42Å; G501-G531 CarbonylContact C-O 3.51Å; G501-G531 WeakPolarHBondContact CA-O 3.17Å; G501-G531 CarbonylContact O-C 3.58Å; G501-G531 WeakPolarHBondContact O-CA 3.44Å; G501-T535 PolarHBondContact O-OG1 3.49Å |
| 502 | M | 92.5 | Very high | 89.1 | Confident | 47 Ų | 47 | 27.2 Ų | 27.2 | 23% | 0.232 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.8 | -37.9 | -176.3 | -175.7 | 63.2 | 177.9 | 0 | 0 | 112 | T498 M499 G500 A505 G506 T535 M652 V655 | T498-M502 WeakPolarHBondContact O-CB 3.44Å; T498-M502 PolarHBondContact O-N 2.59Å; M499-M502 PolarHBondContact O-N 3.27Å; G500-M502 PolarHBondContact O-N 2.88Å; M502-A505 PolarHBondContact O-N 3.21Å; M502-G506 PolarHBondContact O-N 2.89Å; M502-T535 WeakPolarHBondContact CA-OG1 3.13Å; M502-T535 HydrophobicContact CB-CG2 4.04Å; M502-T535 PolarHBondContact N-OG1 2.75Å; M502-T535 HydrophobicContact SD-CG2 4.13Å; M502-M652 HydrophobicContact CE-CG 4.24Å; M502-M652 HydrophobicContact CG-CG 4.2Å; M502-M652 HydrophobicContact CG-SD 4.22Å; M502-M652 HydrophobicContact SD-CG 4.37Å; M502-V655 HydrophobicContact CE-CB 4.26Å; M502-V655 HydrophobicContact CE-CG1 3.95Å; M502-V655 HydrophobicContact SD-CG1 4.37Å |
| 503 | I | 90.9 | Very high | 88.6 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 19% | 0.19 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.5 | -41.9 | 174.1 | -67.1 | 170.1 | 0 | 0 | 0 | 110.2 | F328 F332 M499 A505 G506 L507 | F328-I503 HydrophobicContact CZ-CD1 4.36Å; F332-I503 HydrophobicContact CB-CD1 4.47Å; F332-I503 HydrophobicContact CD2-CB 4.29Å; F332-I503 HydrophobicContact CD2-CD1 3.52Å; F332-I503 HydrophobicContact CD2-CG1 4.49Å; F332-I503 HydrophobicContact CD2-CG2 4.22Å; F332-I503 HydrophobicContact CE2-CB 3.9Å; F332-I503 HydrophobicContact CE2-CD1 3.84Å; F332-I503 HydrophobicContact CE2-CG1 4.48Å; F332-I503 HydrophobicContact CE2-CG2 3.41Å; F332-I503 VanDerWaalsContact CE2-CG2 3.41Å; F332-I503 HydrophobicContact CG-CD1 3.98Å; F332-I503 HydrophobicContact CZ-CG2 3.81Å; M499-I503 HydrophobicContact CE-CD1 3.88Å; M499-I503 HydrophobicContact CG-CD1 3.7Å; M499-I503 HydrophobicContact CG-CG1 4.46Å; M499-I503 WeakPolarHBondContact O-CB 3.26Å; M499-I503 VanDerWaalsContact O-CG1 3.31Å; M499-I503 WeakPolarHBondContact O-CG1 3.49Å; M499-I503 PolarHBondContact O-N 2.65Å; I503-A505 VanDerWaalsContact C-N 3.27Å; I503-A505 PolarHBondContact O-N 3.31Å; I503-G506 PolarHBondContact O-N 2.94Å; I503-L507 HydrophobicContact CG2-CD1 3.57Å; I503-L507 HydrophobicContact CG2-CG 4.06Å; I503-L507 VanDerWaalsContact O-CB 3.3Å; I503-L507 WeakPolarHBondContact O-CB 3.36Å; I503-L507 WeakPolarHBondContact O-CG 3.11Å; I503-L507 PolarHBondContact O-N 2.69Å |
| 504 | A | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -34.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M336 V339 W362 G500 G501 A508 | M336-A504 HydrophobicContact CE-CB 4.43Å; M336-A504 HydrophobicContact SD-CB 4.06Å; V339-A504 HydrophobicContact CG1-CB 4.21Å; W362-A504 HydrophobicContact CH2-CB 4.35Å; W362-A504 HydrophobicContact CZ2-CB 4.47Å; W362-A504 HydrophobicContact CZ3-CB 4.41Å; G500-A504 WeakPolarHBondContact O-CB 3.2Å; G500-A504 PolarHBondContact O-N 3.19Å; G501-A504 PolarHBondContact O-N 2.87Å; A504-A508 WeakPolarHBondContact O-CB 3.36Å; A504-A508 PolarHBondContact O-N 2.85Å |
| 505 | A | 89.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.2 | -49.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G501 M502 I503 A508 A509 M528 L532 | G501-A505 WeakPolarHBondContact O-CB 3.5Å; G501-A505 PolarHBondContact O-N 3.42Å; M502-A505 PolarHBondContact O-N 3.21Å; I503-A505 VanDerWaalsContact C-N 3.27Å; I503-A505 PolarHBondContact O-N 3.31Å; A505-A508 PolarHBondContact O-N 2.89Å; A505-A509 WeakPolarHBondContact O-CB 3.32Å; A505-A509 PolarHBondContact O-N 3.25Å; A505-M528 HydrophobicContact CB-CG 4.44Å; A505-L532 HydrophobicContact CB-CD2 3.94Å; A505-L532 HydrophobicContact CB-CG 3.87Å |
| 506 | G | 88.1 | Confident | 84.4 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.4 | -43.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M502 I503 A508 A509 F510 | M502-G506 PolarHBondContact O-N 2.89Å; I503-G506 PolarHBondContact O-N 2.94Å; G506-A508 VanDerWaalsContact C-N 3.35Å; G506-A509 WeakPolarHBondContact O-CB 3.49Å; G506-A509 PolarHBondContact O-N 3.12Å; G506-F510 WeakPolarHBondContact O-CB 3.4Å; G506-F510 PolarHBondContact O-N 3.48Å |
| 507 | L | 87.2 | Confident | 82.9 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 174.1 | -73.1 | 175.2 | 0 | 0 | 0 | 111.8 | W362 I503 Q511 | W362-L507 HydrophobicContact CH2-CB 3.8Å; W362-L507 HydrophobicContact CH2-CD1 4.35Å; W362-L507 HydrophobicContact CZ3-CB 4.35Å; W362-L507 HydrophobicContact CZ3-CD1 4.06Å; I503-L507 HydrophobicContact CG2-CD1 3.57Å; I503-L507 HydrophobicContact CG2-CG 4.06Å; I503-L507 VanDerWaalsContact O-CB 3.3Å; I503-L507 WeakPolarHBondContact O-CB 3.36Å; I503-L507 WeakPolarHBondContact O-CG 3.11Å; I503-L507 PolarHBondContact O-N 2.69Å; L507-Q511 WeakPolarHBondContact O-CB 3.43Å; L507-Q511 PolarHBondContact O-N 3.45Å |
| 508 | A | 86.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | W362 A504 A505 G506 Q511 L512 F524 M528 | W362-A508 HydrophobicContact CZ2-CB 4.48Å; A504-A508 WeakPolarHBondContact O-CB 3.36Å; A504-A508 PolarHBondContact O-N 2.85Å; A505-A508 PolarHBondContact O-N 2.89Å; G506-A508 VanDerWaalsContact C-N 3.35Å; A508-Q511 PolarHBondContact O-N 2.98Å; A508-L512 WeakPolarHBondContact O-CB 3.3Å; A508-L512 VanDerWaalsContact O-CG 3.25Å; A508-L512 WeakPolarHBondContact O-CG 3.46Å; A508-L512 PolarHBondContact O-N 3.06Å; A508-F524 HydrophobicContact CB-CB 4.35Å; A508-F524 HydrophobicContact CB-CD1 4.36Å; A508-M528 HydrophobicContact CB-CB 3.82Å; A508-M528 HydrophobicContact CB-CG 4.45Å |
| 509 | A | 84.1 | Confident | 79.8 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 28% | 0.281 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A505 G506 Q511 L512 L513 M528 | A505-A509 WeakPolarHBondContact O-CB 3.32Å; A505-A509 PolarHBondContact O-N 3.25Å; G506-A509 WeakPolarHBondContact O-CB 3.49Å; G506-A509 PolarHBondContact O-N 3.12Å; A509-Q511 VanDerWaalsContact C-N 3.3Å; A509-Q511 PolarHBondContact O-N 2.91Å; A509-L512 WeakPolarHBondContact O-CB 3.42Å; A509-L512 PolarHBondContact O-N 3.35Å; A509-L513 WeakPolarHBondContact O-CG 3.43Å; A509-L513 PolarHBondContact O-N 3.31Å; A509-M528 HydrophobicContact CB-SD 3.6Å; A509-M528 VanDerWaalsContact CB-SD 3.6Å |
| 510 | F | 81.5 | Confident | 78.7 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 175.3 | -179.1 | -119.7 | 0 | 0 | 0 | 112 | G506 L513 K514 W840 | G506-F510 WeakPolarHBondContact O-CB 3.4Å; G506-F510 PolarHBondContact O-N 3.48Å; F510-L513 PolarHBondContact O-N 2.59Å; F510-K514 HydrophobicContact CD1-CD 4.33Å; F510-K514 HydrophobicContact CE1-CD 3.97Å; F510-K514 VanDerWaalsContact CE1-NZ 3.27Å; F510-K514 HydrophobicContact CZ-CD 4.15Å; F510-K514 VanDerWaalsContact CZ-CE 3.42Å; F510-K514 PolarHBondContact O-N 3.05Å; F510-W840 HydrophobicContact CZ-CH2 4.46Å |
| 511 | Q | 79.4 | Confident | 77.8 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.6 | -26.6 | 178 | -161.4 | 70.7 | -46.7 | 0 | 0 | 113.2 | L507 A508 A509 K514 R515 F524 | L507-Q511 WeakPolarHBondContact O-CB 3.43Å; L507-Q511 PolarHBondContact O-N 3.45Å; A508-Q511 PolarHBondContact O-N 2.98Å; A509-Q511 VanDerWaalsContact C-N 3.3Å; A509-Q511 PolarHBondContact O-N 2.91Å; Q511-K514 PolarHBondContact O-N 3.41Å; Q511-R515 PolarHBondContact O-N 2.95Å; Q511-F524 HydrophobicContact CB-CD1 4.21Å; Q511-F524 HydrophobicContact CB-CD2 4.22Å; Q511-F524 HydrophobicContact CB-CE1 4.22Å; Q511-F524 HydrophobicContact CB-CE2 4.23Å; Q511-F524 HydrophobicContact CB-CG 4.25Å; Q511-F524 HydrophobicContact CB-CZ 4.27Å; Q511-F524 HydrophobicContact CG-CD1 4.31Å; Q511-F524 HydrophobicContact CG-CD2 3.83Å; Q511-F524 HydrophobicContact CG-CE1 3.93Å; Q511-F524 HydrophobicContact CG-CE2 3.4Å; Q511-F524 VanDerWaalsContact CG-CE2 3.4Å; Q511-F524 HydrophobicContact CG-CG 4.29Å; Q511-F524 HydrophobicContact CG-CZ 3.49Å; Q511-F524 VanDerWaalsContact CG-CZ 3.49Å |
| 512 | L | 79.4 | Confident | 77 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 18% | 0.183 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 167.8 | -75.6 | 163.5 | 0 | 0 | 0 | 112.2 | A508 A509 R521 F524 M525 M528 | A508-L512 WeakPolarHBondContact O-CB 3.3Å; A508-L512 VanDerWaalsContact O-CG 3.25Å; A508-L512 WeakPolarHBondContact O-CG 3.46Å; A508-L512 PolarHBondContact O-N 3.06Å; A509-L512 WeakPolarHBondContact O-CB 3.42Å; A509-L512 PolarHBondContact O-N 3.35Å; L512-R521 HydrophobicContact CD2-CB 4.32Å; L512-R521 HydrophobicContact CD2-CG 3.81Å; L512-F524 HydrophobicContact CD1-CB 4.17Å; L512-F524 HydrophobicContact CD2-CB 3.84Å; L512-F524 HydrophobicContact CG-CB 3.64Å; L512-M525 HydrophobicContact CD1-CG 4.06Å; L512-M525 HydrophobicContact CD1-SD 3.76Å; L512-M525 HydrophobicContact CD2-CG 3.88Å; L512-M525 HydrophobicContact CD2-SD 4.42Å; L512-M528 HydrophobicContact CD1-CB 4.46Å; L512-M528 HydrophobicContact CD1-CE 3.89Å; L512-M528 HydrophobicContact CD1-SD 3.74Å |
| 513 | L | 80.6 | Confident | 76.5 | Confident | 155 Ų | 155 | 75 Ų | 75 | 81% | 0.812 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.6 | -39.1 | 172.5 | -68.2 | 168.2 | 0 | 0 | 0 | 111.4 | A509 F510 | A509-L513 WeakPolarHBondContact O-CG 3.43Å; A509-L513 PolarHBondContact O-N 3.31Å; F510-L513 PolarHBondContact O-N 2.59Å |
| 514 | K | 70.4 | Confident | 76.2 | Confident | 61 Ų | 61 | 73.6 Ų | 73.6 | 27% | 0.265 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 178.1 | -85 | -179.4 | 163.4 | 175.5 | 0 | 114.7 | F510 Q511 W840 E841 | F510-K514 HydrophobicContact CD1-CD 4.33Å; F510-K514 HydrophobicContact CE1-CD 3.97Å; F510-K514 VanDerWaalsContact CE1-NZ 3.27Å; F510-K514 HydrophobicContact CZ-CD 4.15Å; F510-K514 VanDerWaalsContact CZ-CE 3.42Å; F510-K514 PolarHBondContact O-N 3.05Å; Q511-K514 PolarHBondContact O-N 3.41Å; K514-W840 HydrophobicContact CD-CZ2 4.32Å; K514-W840 HydrophobicContact CG-CZ2 4.34Å; K514-E841 IonicContact NZ-OE1 2.74Å; K514-E841 PolarHBondContact NZ-OE1 3.18Å |
| 515 | R | 64.9 | Low | 75.9 | Confident | 119 Ų | 119 | 76 Ų | 76 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | trans | -118.5 | 117 | -164.6 | -63.5 | -167.3 | 178.7 | -148.5 | -1.4 | 114.3 | Q511 D517 | Q511-R515 PolarHBondContact O-N 2.95Å; R515-D517 VanDerWaalsContact C-N 3.32Å; R515-D517 PolarHBondContact O-N 2.99Å | ||
| 516 | K | 52.8 | Low | 75.6 | Confident | 215 Ų | 215 | 78.6 Ų | 78.6 | 94% | 0.935 | 38% | 0.377 | S | S | * | . | trans | -78 | -2.6 | 174.7 | -66.2 | -176.1 | 178.5 | 178.3 | 0 | 115.3 | I518 | K516-I518 PolarHBondContact O-N 2.81Š| ||
| 517 | D | 61.8 | Low | 75.5 | Confident | 80 Ų | 80 | 76.9 Ų | 76.9 | 43% | 0.428 | 36% | 0.359 | S | S | . | . | trans | -70.1 | 119.8 | 179.8 | 179.1 | 1.6 | 0 | 0 | 0 | 111.5 | R515 K519 M520 R521 | R515-D517 VanDerWaalsContact C-N 3.32Å; R515-D517 PolarHBondContact O-N 2.99Å; D517-K519 VanDerWaalsContact C-N 3.26Å; D517-K519 PolarHBondContact O-N 3.19Å; D517-K519 PolarHBondContact OD1-N 2.85Å; D517-M520 HydrophobicContact CB-CB 4.33Å; D517-M520 HydrophobicContact CB-CG 4.26Å; D517-M520 PolarHBondContact O-N 3.49Å; D517-M520 VanDerWaalsContact O-N 3.15Å; D517-R521 PolarHBondContact O-N 3.47Å | ||
| 518 | I | 60.4 | Low | 75.5 | Confident | 145 Ų | 145 | 74.6 Ų | 74.6 | 74% | 0.744 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -55.4 | -38 | 179.4 | -58.3 | 174.5 | 0 | 0 | 0 | 112 | K516 R521 E522 | K516-I518 PolarHBondContact O-N 2.81Å; I518-R521 PolarHBondContact O-N 3.25Å; I518-E522 PolarHBondContact O-N 3.33Å |
| 519 | K | 61.7 | Low | 75.5 | Confident | 168 Ų | 168 | 80.2 Ų | 80.2 | 73% | 0.73 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66 | -42.9 | 179.7 | -68.6 | 178.9 | 180 | 174.4 | 0 | 111.2 | D517 | D517-K519 VanDerWaalsContact C-N 3.26Å; D517-K519 PolarHBondContact O-N 3.19Å; D517-K519 PolarHBondContact OD1-N 2.85Å |
| 520 | M | 68.5 | Low | 75.7 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.9 | -29.7 | 176.7 | -58.4 | -53.6 | -67.5 | 0 | 0 | 112.1 | D517 E522 F523 F524 | D517-M520 HydrophobicContact CB-CB 4.33Å; D517-M520 HydrophobicContact CB-CG 4.26Å; D517-M520 PolarHBondContact O-N 3.49Å; D517-M520 VanDerWaalsContact O-N 3.15Å; M520-E522 VanDerWaalsContact C-N 3.32Å; M520-E522 PolarHBondContact O-N 2.88Å; M520-F523 HydrophobicContact CE-CD1 4.27Å; M520-F523 WeakPolarHBondContact O-CB 3.43Å; M520-F523 PolarHBondContact O-N 3.07Å; M520-F524 HydrophobicContact CB-CD2 4.17Å; M520-F524 HydrophobicContact CB-CE2 4.08Å; M520-F524 HydrophobicContact CE-CD2 4.48Å; M520-F524 HydrophobicContact CE-CE2 3.52Å; M520-F524 HydrophobicContact CE-CZ 3.86Å; M520-F524 VanDerWaalsContact O-CD2 3.26Å; M520-F524 WeakPolarHBondContact O-CD2 3.46Å; M520-F524 PolarHBondContact O-N 3.39Å |
| 521 | R | 73.3 | Confident | 76.1 | Confident | 122 Ų | 122 | 74.9 Ų | 74.9 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57 | -44.3 | 173.8 | -164.7 | -179.2 | -175.4 | -174.4 | 2.3 | 110.8 | L512 D517 I518 M525 D667 | L512-R521 HydrophobicContact CD2-CB 4.32Å; L512-R521 HydrophobicContact CD2-CG 3.81Å; D517-R521 PolarHBondContact O-N 3.47Å; I518-R521 PolarHBondContact O-N 3.25Å; R521-M525 HydrophobicContact CG-CG 4.34Å; R521-M525 WeakPolarHBondContact O-CB 3.3Å; R521-M525 WeakPolarHBondContact O-CG 3.47Å; R521-M525 PolarHBondContact O-N 3.34Å; R521-D667 IonicContact CZ-OD1 2.93Å; R521-D667 IonicContact NH1-OD2 3.24Å; R521-D667 IonicContact NH2-OD1 2.67Å; R521-D667 PolarHBondContact NH2-OD1 2.86Å; R521-D667 IonicContact NH2-OD2 2.81Å |
| 522 | E | 74.8 | Confident | 76.6 | Confident | 78 Ų | 78 | 73.2 Ų | 73.2 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67 | -39 | 176.9 | -163.6 | -158.2 | 136.4 | 0 | 0 | 112.9 | K354 I518 M520 K526 | K354-E522 WeakPolarHBondContact CD-OE1 3.48Å; K354-E522 IonicContact NZ-OE1 3.97Å; K354-E522 PolarHBondContact NZ-OE1 2.87Å; K354-E522 IonicContact NZ-OE2 2.89Å; K354-E522 PolarHBondContact NZ-OE2 2.96Å; I518-E522 PolarHBondContact O-N 3.33Å; M520-E522 VanDerWaalsContact C-N 3.32Å; M520-E522 PolarHBondContact O-N 2.88Å; E522-K526 HydrophobicContact CG-CD 4.43Å; E522-K526 WeakPolarHBondContact O-CB 3.28Å; E522-K526 WeakPolarHBondContact O-CG 2.97Å; E522-K526 PolarHBondContact O-N 2.96Å; E522-K526 VanDerWaalsContact O-N 3.09Å; E522-K526 WeakPolarHBondContact OE1-CE 3.28Å; E522-K526 IonicContact OE1-NZ 2.87Å; E522-K526 PolarHBondContact OE1-NZ 3.21Å |
| 523 | F | 82.3 | Confident | 77.2 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -55.7 | 177.8 | 179.3 | -91.7 | 0 | 0 | 0 | 111.3 | Q357 L358 F361 M520 K526 S527 | Q357-F523 HydrophobicContact CB-CE2 3.78Å; L358-F523 HydrophobicContact CB-CE2 4.33Å; L358-F523 HydrophobicContact CD2-CD1 4.17Å; L358-F523 HydrophobicContact CD2-CD2 4.03Å; L358-F523 HydrophobicContact CD2-CE1 3.82Å; L358-F523 HydrophobicContact CD2-CE2 3.67Å; L358-F523 HydrophobicContact CD2-CG 4.27Å; L358-F523 HydrophobicContact CD2-CZ 3.57Å; L358-F523 HydrophobicContact CG-CD2 4.01Å; L358-F523 HydrophobicContact CG-CE2 3.62Å; L358-F523 HydrophobicContact CG-CZ 3.99Å; F361-F523 HydrophobicContact CB-CZ 3.95Å; F361-F523 HydrophobicContact CD1-CE1 4.33Å; F361-F523 HydrophobicContact CD1-CZ 4.45Å; F361-F523 HydrophobicContact CG-CE1 4.33Å; F361-F523 HydrophobicContact CG-CZ 4.17Å; M520-F523 HydrophobicContact CE-CD1 4.27Å; M520-F523 WeakPolarHBondContact O-CB 3.43Å; M520-F523 PolarHBondContact O-N 3.07Å; F523-K526 PolarHBondContact O-N 3.46Å; F523-S527 PolarHBondContact O-N 2.76Å |
| 524 | F | 84.5 | Confident | 77.7 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72 | -31 | -179.1 | -65.3 | -64.2 | 0 | 0 | 0 | 112.7 | F361 A508 Q511 L512 M520 K526 S527 M528 | F361-F524 HydrophobicContact CE1-CE1 4.2Å; F361-F524 HydrophobicContact CZ-CE1 4.23Å; A508-F524 HydrophobicContact CB-CB 4.35Å; A508-F524 HydrophobicContact CB-CD1 4.36Å; Q511-F524 HydrophobicContact CB-CD1 4.21Å; Q511-F524 HydrophobicContact CB-CD2 4.22Å; Q511-F524 HydrophobicContact CB-CE1 4.22Å; Q511-F524 HydrophobicContact CB-CE2 4.23Å; Q511-F524 HydrophobicContact CB-CG 4.25Å; Q511-F524 HydrophobicContact CB-CZ 4.27Å; Q511-F524 HydrophobicContact CG-CD1 4.31Å; Q511-F524 HydrophobicContact CG-CD2 3.83Å; Q511-F524 HydrophobicContact CG-CE1 3.93Å; Q511-F524 HydrophobicContact CG-CE2 3.4Å; Q511-F524 VanDerWaalsContact CG-CE2 3.4Å; Q511-F524 HydrophobicContact CG-CG 4.29Å; Q511-F524 HydrophobicContact CG-CZ 3.49Å; Q511-F524 VanDerWaalsContact CG-CZ 3.49Å; L512-F524 HydrophobicContact CD1-CB 4.17Å; L512-F524 HydrophobicContact CD2-CB 3.84Å; L512-F524 HydrophobicContact CG-CB 3.64Å; M520-F524 HydrophobicContact CB-CD2 4.17Å; M520-F524 HydrophobicContact CB-CE2 4.08Å; M520-F524 HydrophobicContact CE-CD2 4.48Å; M520-F524 HydrophobicContact CE-CE2 3.52Å; M520-F524 HydrophobicContact CE-CZ 3.86Å; M520-F524 VanDerWaalsContact O-CD2 3.26Å; M520-F524 WeakPolarHBondContact O-CD2 3.46Å; M520-F524 PolarHBondContact O-N 3.39Å; F524-K526 VanDerWaalsContact C-N 3.34Å; F524-K526 PolarHBondContact O-N 3.2Å; F524-S527 WeakPolarHBondContact O-CB 3.41Å; F524-S527 PolarHBondContact O-N 3.15Å; F524-M528 VanDerWaalsContact O-CB 3.25Å; F524-M528 WeakPolarHBondContact O-CB 3.29Å; F524-M528 PolarHBondContact O-N 3.39Å |
| 525 | M | 82.6 | Confident | 78.7 | Confident | 50 Ų | 50 | 64.8 Ų | 64.8 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 171.2 | -78 | -69.2 | -69.5 | 0 | 0 | 112.6 | L512 R521 M528 R529 T663 | L512-M525 HydrophobicContact CD1-CG 4.06Å; L512-M525 HydrophobicContact CD1-SD 3.76Å; L512-M525 HydrophobicContact CD2-CG 3.88Å; L512-M525 HydrophobicContact CD2-SD 4.42Å; R521-M525 HydrophobicContact CG-CG 4.34Å; R521-M525 WeakPolarHBondContact O-CB 3.3Å; R521-M525 WeakPolarHBondContact O-CG 3.47Å; R521-M525 PolarHBondContact O-N 3.34Å; M525-M528 HydrophobicContact SD-CE 3.84Å; M525-R529 WeakPolarHBondContact O-CG 3.27Å; M525-R529 PolarHBondContact O-N 2.92Å; M525-R529 VanDerWaalsContact O-N 3.07Å; M525-T663 HydrophobicContact CE-CG2 3.84Å; M525-T663 HydrophobicContact SD-CG2 4.44Å |
| 526 | K | 83.3 | Confident | 80 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 173.7 | -78.8 | 174.4 | 172.3 | 173.8 | 0 | 111.5 | L358 E522 F523 F524 R529 I530 | L358-K526 HydrophobicContact CD1-CB 4.26Å; E522-K526 HydrophobicContact CG-CD 4.43Å; E522-K526 WeakPolarHBondContact O-CB 3.28Å; E522-K526 WeakPolarHBondContact O-CG 2.97Å; E522-K526 PolarHBondContact O-N 2.96Å; E522-K526 VanDerWaalsContact O-N 3.09Å; E522-K526 WeakPolarHBondContact OE1-CE 3.28Å; E522-K526 IonicContact OE1-NZ 2.87Å; E522-K526 PolarHBondContact OE1-NZ 3.21Å; F523-K526 PolarHBondContact O-N 3.46Å; F524-K526 VanDerWaalsContact C-N 3.34Å; F524-K526 PolarHBondContact O-N 3.2Å; K526-R529 PolarHBondContact O-N 2.86Å; K526-I530 WeakPolarHBondContact O-CG1 3.33Å; K526-I530 PolarHBondContact O-N 3.13Å; K526-I530 VanDerWaalsContact O-N 3.09Å |
| 527 | S | 86.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.5 | -50.2 | 173.4 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | W362 F523 F524 R529 I530 G531 | W362-S527 WeakPolarHBondContact CZ2-OG 3.36Å; W362-S527 PolarHBondContact NE1-OG 3.41Å; F523-S527 PolarHBondContact O-N 2.76Å; F524-S527 WeakPolarHBondContact O-CB 3.41Å; F524-S527 PolarHBondContact O-N 3.15Å; S527-R529 PolarHBondContact O-N 3.4Å; S527-I530 PolarHBondContact O-N 3.17Å; S527-I530 VanDerWaalsContact O-N 3.15Å; S527-G531 PolarHBondContact O-N 3Å |
| 528 | M | 87.4 | Confident | 83.3 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | -177.2 | -167.9 | 171.5 | 77 | 0 | 0 | 111.3 | A505 A508 A509 L512 F524 M525 I530 G531 L532 T663 | A505-M528 HydrophobicContact CB-CG 4.44Å; A508-M528 HydrophobicContact CB-CB 3.82Å; A508-M528 HydrophobicContact CB-CG 4.45Å; A509-M528 HydrophobicContact CB-SD 3.6Å; A509-M528 VanDerWaalsContact CB-SD 3.6Å; L512-M528 HydrophobicContact CD1-CB 4.46Å; L512-M528 HydrophobicContact CD1-CE 3.89Å; L512-M528 HydrophobicContact CD1-SD 3.74Å; F524-M528 VanDerWaalsContact O-CB 3.25Å; F524-M528 WeakPolarHBondContact O-CB 3.29Å; F524-M528 PolarHBondContact O-N 3.39Å; M525-M528 HydrophobicContact SD-CE 3.84Å; M528-I530 PolarHBondContact O-N 3.18Å; M528-G531 PolarHBondContact O-N 3.24Å; M528-L532 HydrophobicContact CG-CD1 3.88Å; M528-L532 HydrophobicContact CG-CG 4.34Å; M528-L532 WeakPolarHBondContact O-CB 3.48Å; M528-L532 WeakPolarHBondContact O-CD1 3.49Å; M528-L532 WeakPolarHBondContact O-CG 3.48Å; M528-L532 PolarHBondContact O-N 3.37Å; M528-T663 HydrophobicContact CE-CG2 3.31Å |
| 529 | R | 86.6 | Confident | 84.8 | Confident | 118 Ų | 118 | 47 Ų | 47 | 45% | 0.445 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 173.5 | -76.3 | -177.5 | 177.4 | 176.1 | 3.9 | 113 | M525 K526 S527 V533 T663 | M525-R529 WeakPolarHBondContact O-CG 3.27Å; M525-R529 PolarHBondContact O-N 2.92Å; M525-R529 VanDerWaalsContact O-N 3.07Å; K526-R529 PolarHBondContact O-N 2.86Å; S527-R529 PolarHBondContact O-N 3.4Å; R529-V533 VanDerWaalsContact O-CG2 3.3Å; R529-V533 WeakPolarHBondContact O-CG2 3.33Å; R529-V533 PolarHBondContact O-N 3.43Å; R529-T663 HydrophobicContact CG-CG2 4.37Å; R529-T663 PolarHBondContact NH2-O 3.03Å |
| 530 | I | 87.8 | Confident | 86.2 | Confident | 22 Ų | 22 | 43.5 Ų | 43.5 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -49.2 | 174.6 | -66.8 | 167.4 | 0 | 0 | 0 | 109.9 | V339 I342 M343 L346 Y355 K526 S527 M528 L532 V533 V534 | V339-I530 HydrophobicContact CG1-CG2 4.42Å; I342-I530 HydrophobicContact CG2-CG2 4.32Å; M343-I530 HydrophobicContact CE-CB 4.1Å; M343-I530 HydrophobicContact CE-CD1 4.03Å; M343-I530 HydrophobicContact CE-CG2 3.91Å; M343-I530 HydrophobicContact CG-CD1 3.89Å; M343-I530 HydrophobicContact CG-CG2 4.45Å; L346-I530 HydrophobicContact CD1-CD1 4.01Å; Y355-I530 HydrophobicContact CD1-CD1 4.46Å; Y355-I530 HydrophobicContact CE1-CD1 4.1Å; K526-I530 WeakPolarHBondContact O-CG1 3.33Å; K526-I530 PolarHBondContact O-N 3.13Å; K526-I530 VanDerWaalsContact O-N 3.09Å; S527-I530 PolarHBondContact O-N 3.17Å; S527-I530 VanDerWaalsContact O-N 3.15Å; M528-I530 PolarHBondContact O-N 3.18Å; I530-L532 PolarHBondContact O-N 3.14Å; I530-V533 PolarHBondContact O-N 3.47Å; I530-V534 HydrophobicContact CG2-CG2 4.48Å; I530-V534 WeakPolarHBondContact O-CG2 3.43Å; I530-V534 PolarHBondContact O-N 3.2Å |
| 531 | G | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.9 | -53.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G501 S527 M528 V533 V534 T535 | G501-G531 CarbonylContact C-O 3.51Å; G501-G531 WeakPolarHBondContact CA-O 3.17Å; G501-G531 CarbonylContact O-C 3.58Å; G501-G531 WeakPolarHBondContact O-CA 3.44Å; S527-G531 PolarHBondContact O-N 3Å; M528-G531 PolarHBondContact O-N 3.24Å; G531-V533 PolarHBondContact O-N 3.46Å; G531-V534 CarbonylContact O-C 3.16Å; G531-V534 PolarHBondContact O-N 3.33Å; G531-V534 VanDerWaalsContact O-N 3.09Å; G531-T535 PolarHBondContact O-N 3.11Å; G531-T535 PolarHBondContact O-OG1 3.16Å |
| 532 | L | 90.5 | Very high | 88.2 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -34.9 | 179.7 | -66.9 | 164.3 | 0 | 0 | 0 | 113.5 | A505 M528 I530 L536 L660 | A505-L532 HydrophobicContact CB-CD2 3.94Å; A505-L532 HydrophobicContact CB-CG 3.87Å; M528-L532 HydrophobicContact CG-CD1 3.88Å; M528-L532 HydrophobicContact CG-CG 4.34Å; M528-L532 WeakPolarHBondContact O-CB 3.48Å; M528-L532 WeakPolarHBondContact O-CD1 3.49Å; M528-L532 WeakPolarHBondContact O-CG 3.48Å; M528-L532 PolarHBondContact O-N 3.37Å; I530-L532 PolarHBondContact O-N 3.14Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 PolarHBondContact O-N 2.97Å; L532-L660 HydrophobicContact CB-CD1 4.42Å; L532-L660 HydrophobicContact CB-CD2 3.78Å; L532-L660 HydrophobicContact CB-CG 3.84Å |
| 533 | V | 90.4 | Very high | 88.8 | Confident | 62 Ų | 62 | 42.1 Ų | 42.1 | 38% | 0.376 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 172.5 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | R529 I530 G531 L536 F537 L660 | R529-V533 VanDerWaalsContact O-CG2 3.3Å; R529-V533 WeakPolarHBondContact O-CG2 3.33Å; R529-V533 PolarHBondContact O-N 3.43Å; I530-V533 PolarHBondContact O-N 3.47Å; G531-V533 PolarHBondContact O-N 3.46Å; V533-L536 PolarHBondContact O-N 3.12Å; V533-F537 HydrophobicContact CG1-CD2 3.83Å; V533-F537 HydrophobicContact CG1-CE2 3.85Å; V533-F537 WeakPolarHBondContact O-CD2 3.4Å; V533-F537 PolarHBondContact O-N 2.93Å; V533-F537 VanDerWaalsContact O-N 3.07Å; V533-L660 HydrophobicContact CG2-CD1 4.16Å; V533-L660 HydrophobicContact CG2-CD2 3.78Å |
| 534 | V | 91.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.6 | 175 | 0 | 0 | 0 | 0 | 110.9 | V339 I342 I497 I530 G531 G538 | V339-V534 HydrophobicContact CG2-CB 4.48Å; V339-V534 HydrophobicContact CG2-CG1 4.1Å; V339-V534 HydrophobicContact CG2-CG2 4.37Å; I342-V534 HydrophobicContact CD1-CG2 3.92Å; I497-V534 HydrophobicContact CG2-CG1 3.69Å; I497-V534 WeakPolarHBondContact O-CG1 3.35Å; I530-V534 HydrophobicContact CG2-CG2 4.48Å; I530-V534 WeakPolarHBondContact O-CG2 3.43Å; I530-V534 PolarHBondContact O-N 3.2Å; G531-V534 CarbonylContact O-C 3.16Å; G531-V534 PolarHBondContact O-N 3.33Å; G531-V534 VanDerWaalsContact O-N 3.09Å; V534-G538 PolarHBondContact O-N 3.15Å |
| 535 | T | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 171.8 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | T498 G501 M502 G531 G538 S539 M652 A656 | T498-T535 HydrophobicContact CG2-CG2 4.02Å; G501-T535 PolarHBondContact O-OG1 3.49Å; M502-T535 WeakPolarHBondContact CA-OG1 3.13Å; M502-T535 HydrophobicContact CB-CG2 4.04Å; M502-T535 PolarHBondContact N-OG1 2.75Å; M502-T535 HydrophobicContact SD-CG2 4.13Å; G531-T535 PolarHBondContact O-N 3.11Å; G531-T535 PolarHBondContact O-OG1 3.16Å; T535-G538 PolarHBondContact O-N 2.72Å; T535-S539 WeakPolarHBondContact O-CB 3.41Å; T535-S539 PolarHBondContact O-N 2.71Å; T535-S539 PolarHBondContact O-OG 2.78Å; T535-M652 HydrophobicContact CG2-CB 4.4Å; T535-A656 HydrophobicContact CG2-CB 3.93Å |
| 536 | L | 92.2 | Very high | 89.6 | Confident | 42 Ų | 42 | 42.7 Ų | 42.7 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 180 | 178.6 | 60.7 | 0 | 0 | 0 | 111.7 | L532 V533 I540 L653 A656 V657 L660 | L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 PolarHBondContact O-N 2.97Å; V533-L536 PolarHBondContact O-N 3.12Å; L536-I540 HydrophobicContact CD1-CD1 3.98Å; L536-I540 HydrophobicContact CG-CD1 4.18Å; L536-I540 WeakPolarHBondContact O-CD1 3.39Å; L536-I540 VanDerWaalsContact O-CG1 3.28Å; L536-I540 WeakPolarHBondContact O-CG1 3.35Å; L536-I540 PolarHBondContact O-N 3.45Å; L536-L653 HydrophobicContact CD1-CD1 3.67Å; L536-A656 HydrophobicContact CB-CB 4.05Å; L536-V657 HydrophobicContact CD1-CG2 3.83Å; L536-L660 HydrophobicContact CB-CD1 4.22Å; L536-L660 HydrophobicContact CD2-CD1 3.74Å |
| 537 | F | 92 | Very high | 89.8 | Confident | 138 Ų | 138 | 42.9 Ų | 42.9 | 61% | 0.605 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.5 | -43.3 | 176.5 | -80.1 | -70.4 | 0 | 0 | 0 | 111.8 | V533 I540 M541 | V533-F537 HydrophobicContact CG1-CD2 3.83Å; V533-F537 HydrophobicContact CG1-CE2 3.85Å; V533-F537 WeakPolarHBondContact O-CD2 3.4Å; V533-F537 PolarHBondContact O-N 2.93Å; V533-F537 VanDerWaalsContact O-N 3.07Å; F537-I540 PolarHBondContact O-N 2.7Å; F537-M541 WeakPolarHBondContact O-CG 3.43Å; F537-M541 PolarHBondContact O-N 2.76Å; F537-M541 VanDerWaalsContact O-N 3.07Å |
| 538 | G | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.8 | -53.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T498 V534 T535 I540 M541 V542 | T498-G538 VanDerWaalsContact OG1-CA 3.27Å; T498-G538 WeakPolarHBondContact OG1-CA 3.38Å; T498-G538 PolarHBondContact OG1-O 3.2Å; V534-G538 PolarHBondContact O-N 3.15Å; T535-G538 PolarHBondContact O-N 2.72Å; G538-I540 VanDerWaalsContact C-N 3.31Å; G538-I540 PolarHBondContact O-N 2.63Å; G538-M541 CarbonylContact O-C 3.54Å; G538-M541 WeakPolarHBondContact O-CA 3.45Å; G538-M541 WeakPolarHBondContact O-CB 3.4Å; G538-M541 PolarHBondContact O-N 2.97Å; G538-V542 WeakPolarHBondContact O-CG2 3.46Å; G538-V542 PolarHBondContact O-N 2.63Å |
| 539 | S | 91.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | -178.5 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | T498 T535 M541 V542 L543 | T498-S539 WeakPolarHBondContact CG2-OG 3.33Å; T498-S539 PolarHBondContact OG1-N 2.9Å; T535-S539 WeakPolarHBondContact O-CB 3.41Å; T535-S539 PolarHBondContact O-N 2.71Å; T535-S539 PolarHBondContact O-OG 2.78Å; S539-M541 VanDerWaalsContact C-N 3.35Å; S539-V542 PolarHBondContact O-N 2.98Å; S539-L543 WeakPolarHBondContact O-CG 3.48Å; S539-L543 PolarHBondContact O-N 2.78Å |
| 540 | I | 91.6 | Very high | 89.9 | Confident | 95 Ų | 95 | 40.8 Ų | 40.8 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 173.9 | -67.8 | 166.3 | 0 | 0 | 0 | 110.6 | L536 F537 G538 G544 L653 | L536-I540 HydrophobicContact CD1-CD1 3.98Å; L536-I540 HydrophobicContact CG-CD1 4.18Å; L536-I540 WeakPolarHBondContact O-CD1 3.39Å; L536-I540 VanDerWaalsContact O-CG1 3.28Å; L536-I540 WeakPolarHBondContact O-CG1 3.35Å; L536-I540 PolarHBondContact O-N 3.45Å; F537-I540 PolarHBondContact O-N 2.7Å; G538-I540 VanDerWaalsContact C-N 3.31Å; G538-I540 PolarHBondContact O-N 2.63Å; I540-G544 PolarHBondContact O-N 2.68Å; I540-L653 HydrophobicContact CG1-CD1 4.26Å |
| 541 | M | 92.3 | Very high | 89.8 | Confident | 105 Ų | 105 | 41.8 Ų | 41.8 | 52% | 0.517 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.4 | -37.3 | 174.2 | -68.2 | 179.6 | 67.9 | 0 | 0 | 112.6 | A494 F537 G538 S539 G544 A545 | A494-M541 HydrophobicContact CB-CB 3.62Å; F537-M541 WeakPolarHBondContact O-CG 3.43Å; F537-M541 PolarHBondContact O-N 2.76Å; F537-M541 VanDerWaalsContact O-N 3.07Å; G538-M541 CarbonylContact O-C 3.54Å; G538-M541 WeakPolarHBondContact O-CA 3.45Å; G538-M541 WeakPolarHBondContact O-CB 3.4Å; G538-M541 PolarHBondContact O-N 2.97Å; S539-M541 VanDerWaalsContact C-N 3.35Å; M541-G544 PolarHBondContact O-N 3.03Å; M541-A545 VanDerWaalsContact O-CB 3.25Å; M541-A545 WeakPolarHBondContact O-CB 3.21Å; M541-A545 PolarHBondContact O-N 3.44Å |
| 542 | V | 91 | Very high | 89.6 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | A494 A495 T498 G538 S539 G546 | A494-V542 HydrophobicContact CB-CB 4.44Å; A494-V542 HydrophobicContact CB-CG2 3.66Å; A494-V542 WeakPolarHBondContact O-CG2 3.42Å; A495-V542 HydrophobicContact CB-CG2 4.28Å; T498-V542 WeakPolarHBondContact OG1-CG2 3.3Å; G538-V542 WeakPolarHBondContact O-CG2 3.46Å; G538-V542 PolarHBondContact O-N 2.63Å; S539-V542 PolarHBondContact O-N 2.98Å; V542-G546 WeakPolarHBondContact O-CA 3.31Å; V542-G546 PolarHBondContact O-N 2.85Å |
| 543 | L | 88.2 | Confident | 89.3 | Confident | 94 Ų | 94 | 42.6 Ų | 42.6 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -48.3 | 176.2 | -73.2 | 172.7 | 0 | 0 | 0 | 111.6 | S539 D547 L653 | S539-L543 WeakPolarHBondContact O-CG 3.48Å; S539-L543 PolarHBondContact O-N 2.78Å; L543-D547 WeakPolarHBondContact O-CB 3.05Å; L543-D547 PolarHBondContact O-N 3.03Å; L543-L653 HydrophobicContact CD1-CD2 3.8Å |
| 544 | G | 88.2 | Confident | 89.1 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 50% | 0.495 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I540 M541 A548 | I540-G544 PolarHBondContact O-N 2.68Å; M541-G544 PolarHBondContact O-N 3.03Å; G544-A548 PolarHBondContact O-N 3.23Å |
| 545 | A | 90.1 | Very high | 88.7 | Confident | 20 Ų | 20 | 48.6 Ų | 48.6 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.5 | -35.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H491 M541 A548 Q549 | H491-A545 HydrophobicContact CB-CB 4.1Å; M541-A545 VanDerWaalsContact O-CB 3.25Å; M541-A545 WeakPolarHBondContact O-CB 3.21Å; M541-A545 PolarHBondContact O-N 3.44Å; A545-A548 PolarHBondContact O-N 3.05Å; A545-Q549 VanDerWaalsContact O-CB 3.31Å; A545-Q549 WeakPolarHBondContact O-CB 3.45Å; A545-Q549 PolarHBondContact O-N 2.83Å |
| 546 | G | 86.8 | Confident | 88.2 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V542 A548 Q549 M550 | V542-G546 WeakPolarHBondContact O-CA 3.31Å; V542-G546 PolarHBondContact O-N 2.85Å; G546-A548 PolarHBondContact O-N 3.25Å; G546-Q549 PolarHBondContact O-N 3.22Å; G546-M550 VanDerWaalsContact O-CB 3.23Å; G546-M550 WeakPolarHBondContact O-CB 3.34Å; G546-M550 PolarHBondContact O-N 3.29Å |
| 547 | D | 87.7 | Confident | 87.9 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 173.9 | -175.9 | 66.6 | 0 | 0 | 0 | 111.8 | L543 M550 K551 | L543-D547 WeakPolarHBondContact O-CB 3.05Å; L543-D547 PolarHBondContact O-N 3.03Å; D547-M550 PolarHBondContact O-N 2.99Å; D547-K551 WeakPolarHBondContact O-CB 3.29Å; D547-K551 WeakPolarHBondContact O-CG 3.19Å; D547-K551 PolarHBondContact O-N 3.35Å; D547-K551 IonicContact OD1-NZ 2.69Å; D547-K551 PolarHBondContact OD1-NZ 3.32Å; D547-K551 IonicContact OD2-NZ 2.82Å; D547-K551 PolarHBondContact OD2-NZ 2.91Å |
| 548 | A | 88.2 | Confident | 87.7 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y487 G544 A545 G546 K551 A552 | Y487-A548 HydrophobicContact CD1-CB 3.96Å; Y487-A548 HydrophobicContact CE1-CB 4.13Å; G544-A548 PolarHBondContact O-N 3.23Å; A545-A548 PolarHBondContact O-N 3.05Å; G546-A548 PolarHBondContact O-N 3.25Å; A548-K551 PolarHBondContact O-N 3.34Å; A548-A552 WeakPolarHBondContact O-CB 3.03Å; A548-A552 PolarHBondContact O-N 3.09Å |
| 549 | Q | 87.9 | Confident | 87.6 | Confident | 36 Ų | 36 | 47 Ų | 47 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 178.3 | -166.9 | -174 | 22.5 | 0 | 0 | 112.2 | H491 A545 G546 L553 | H491-Q549 PolarHBondContact CD2-OE1 3.35Å; H491-Q549 VanDerWaalsContact CG-OE1 3.26Å; A545-Q549 VanDerWaalsContact O-CB 3.31Å; A545-Q549 WeakPolarHBondContact O-CB 3.45Å; A545-Q549 PolarHBondContact O-N 2.83Å; G546-Q549 PolarHBondContact O-N 3.22Å; Q549-L553 PolarHBondContact O-N 2.7Å |
| 550 | M | 85.9 | Confident | 87.5 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 15% | 0.148 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -49.9 | 174.1 | 179.6 | -172.9 | 74.9 | 0 | 0 | 110.8 | G546 D547 A552 L553 F561 L603 F642 | G546-M550 VanDerWaalsContact O-CB 3.23Å; G546-M550 WeakPolarHBondContact O-CB 3.34Å; G546-M550 PolarHBondContact O-N 3.29Å; D547-M550 PolarHBondContact O-N 2.99Å; M550-A552 VanDerWaalsContact C-N 3.32Å; M550-A552 PolarHBondContact O-N 2.76Å; M550-L553 WeakPolarHBondContact O-CB 3.21Å; M550-L553 PolarHBondContact O-N 3.3Å; M550-F561 HydrophobicContact CG-CD2 4.49Å; M550-F561 HydrophobicContact CG-CE2 3.85Å; M550-L603 HydrophobicContact CE-CB 4.32Å; M550-L603 WeakPolarHBondContact CE-O 3.27Å; M550-F642 HydrophobicContact SD-CZ 4.21Å |
| 551 | K | 85.7 | Confident | 87.4 | Confident | 42 Ų | 42 | 46 Ų | 46 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 177.1 | -73 | 177.8 | 162.6 | 82.7 | 0 | 112 | D547 A548 L553 I554 L603 N606 | D547-K551 WeakPolarHBondContact O-CB 3.29Å; D547-K551 WeakPolarHBondContact O-CG 3.19Å; D547-K551 PolarHBondContact O-N 3.35Å; D547-K551 IonicContact OD1-NZ 2.69Å; D547-K551 PolarHBondContact OD1-NZ 3.32Å; D547-K551 IonicContact OD2-NZ 2.82Å; D547-K551 PolarHBondContact OD2-NZ 2.91Å; A548-K551 PolarHBondContact O-N 3.34Å; K551-L553 PolarHBondContact O-N 3.47Å; K551-I554 WeakPolarHBondContact O-CB 3.33Å; K551-I554 PolarHBondContact O-N 3.4Å; K551-L603 WeakPolarHBondContact CE-O 3.45Å; K551-L603 PolarHBondContact NZ-O 2.81Å; K551-N606 WeakPolarHBondContact CE-OD1 3.44Å; K551-N606 PolarHBondContact NZ-OD1 2.91Å |
| 552 | A | 85.4 | Confident | 87.3 | Confident | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.2 | -19.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y487 A548 M550 T556 | Y487-A552 HydrophobicContact CD2-CB 3.64Å; Y487-A552 HydrophobicContact CE2-CB 3.6Å; Y487-A552 HydrophobicContact CG-CB 4.14Å; A548-A552 WeakPolarHBondContact O-CB 3.03Å; A548-A552 PolarHBondContact O-N 3.09Å; M550-A552 VanDerWaalsContact C-N 3.32Å; M550-A552 PolarHBondContact O-N 2.76Å; A552-T556 WeakPolarHBondContact O-CB 3.35Å; A552-T556 WeakPolarHBondContact O-CG2 3.39Å; A552-T556 PolarHBondContact O-N 3.35Å; A552-T556 VanDerWaalsContact O-N 3.11Å; A552-T556 PolarHBondContact O-OG1 2.86Å |
| 553 | L | 85.5 | Confident | 87.2 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.9 | -32.6 | 176.8 | -161.6 | 72 | 0 | 0 | 0 | 112.2 | Q549 M550 K551 E555 T556 N557 K560 F561 M564 | Q549-L553 PolarHBondContact O-N 2.7Å; M550-L553 WeakPolarHBondContact O-CB 3.21Å; M550-L553 PolarHBondContact O-N 3.3Å; K551-L553 PolarHBondContact O-N 3.47Å; L553-E555 VanDerWaalsContact C-N 3.27Å; L553-E555 PolarHBondContact O-N 2.86Å; L553-T556 PolarHBondContact O-N 2.76Å; L553-N557 HydrophobicContact CD1-CB 3.89Å; L553-N557 HydrophobicContact CG-CB 4.41Å; L553-N557 CarbonylContact O-C 3.56Å; L553-N557 WeakPolarHBondContact O-CA 3.46Å; L553-N557 PolarHBondContact O-N 3.46Å; L553-K560 HydrophobicContact CD1-CD 4.37Å; L553-K560 HydrophobicContact CD2-CB 4.47Å; L553-K560 HydrophobicContact CD2-CG 4.31Å; L553-F561 HydrophobicContact CB-CD2 4.44Å; L553-F561 HydrophobicContact CD2-CB 4.12Å; L553-F561 HydrophobicContact CD2-CD2 4.34Å; L553-F561 HydrophobicContact CG-CB 4.26Å; L553-M564 HydrophobicContact CD2-CE 4.39Å; L553-M564 HydrophobicContact CD2-SD 3.62Å |
| 554 | I | 86.1 | Confident | 87.2 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57 | -42.5 | 178.3 | -55.9 | 174.3 | 0 | 0 | 0 | 110.6 | K551 F561 | K551-I554 WeakPolarHBondContact O-CB 3.33Å; K551-I554 PolarHBondContact O-N 3.4Å; I554-F561 HydrophobicContact CD1-CE1 4.26Å; I554-F561 HydrophobicContact CD1-CE2 4.16Å; I554-F561 HydrophobicContact CD1-CZ 3.91Å; I554-F561 HydrophobicContact CG1-CD1 3.99Å; I554-F561 HydrophobicContact CG1-CD2 3.8Å; I554-F561 HydrophobicContact CG1-CE1 3.89Å; I554-F561 HydrophobicContact CG1-CE2 3.71Å; I554-F561 HydrophobicContact CG1-CG 3.94Å; I554-F561 HydrophobicContact CG1-CZ 3.75Å |
| 555 | E | 82.8 | Confident | 87.2 | Confident | 173 Ų | 173 | 34.8 Ų | 34.8 | 81% | 0.808 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -83.7 | -43.7 | 179 | -62.2 | -175 | 163.3 | 0 | 0 | 112.7 | L553 | L553-E555 VanDerWaalsContact C-N 3.27Å; L553-E555 PolarHBondContact O-N 2.86Å |
| 556 | T | 81.8 | Confident | 87 | Confident | 43 Ų | 43 | 34 Ų | 34 | 26% | 0.264 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -80.3 | -35 | -172.4 | 58 | 0 | 0 | 0 | 0 | 114.1 | A552 L553 | A552-T556 WeakPolarHBondContact O-CB 3.35Å; A552-T556 WeakPolarHBondContact O-CG2 3.39Å; A552-T556 PolarHBondContact O-N 3.35Å; A552-T556 VanDerWaalsContact O-N 3.11Å; A552-T556 PolarHBondContact O-OG1 2.86Å; L553-T556 PolarHBondContact O-N 2.76Å |
| 557 | N | 84.8 | Confident | 87 | Confident | 46 Ų | 46 | 33.8 Ų | 33.8 | 25% | 0.246 | 18% | 0.178 | C | C | . | . | trans | -146.7 | 65.2 | -175.5 | -77.6 | -96 | 0 | 0 | 0 | 110.9 | Q459 L553 M559 K560 F561 | Q459-N557 PolarHBondContact O-ND2 2.96Å; L553-N557 HydrophobicContact CD1-CB 3.89Å; L553-N557 HydrophobicContact CG-CB 4.41Å; L553-N557 CarbonylContact O-C 3.56Å; L553-N557 WeakPolarHBondContact O-CA 3.46Å; L553-N557 PolarHBondContact O-N 3.46Å; N557-M559 PolarHBondContact O-N 3.41Å; N557-M559 VanDerWaalsContact O-N 3.11Å; N557-K560 HydrophobicContact CB-CB 4.07Å; N557-K560 PolarHBondContact O-N 3.49Å; N557-F561 PolarHBondContact O-N 3.04Å | ||
| 558 | P | 88.6 | Confident | 87 | Confident | 42 Ų | 42 | 31.5 Ų | 31.5 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55.9 | -32.8 | -176.2 | 20.5 | -33 | 0 | 0 | 0 | 113.3 | K560 F561 A562 V618 | P558-K560 VanDerWaalsContact C-N 3.34Å; P558-K560 PolarHBondContact O-N 3.25Å; P558-F561 PolarHBondContact O-N 3.13Å; P558-A562 WeakPolarHBondContact O-CB 3.35Å; P558-A562 PolarHBondContact O-N 2.94Å; P558-V618 HydrophobicContact CB-CG2 4.1Å; P558-V618 HydrophobicContact CG-CG1 4.19Å; P558-V618 HydrophobicContact CG-CG2 4.44Å |
| 559 | M | 90.2 | Very high | 86.9 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 176.3 | -160.9 | 61 | 162.2 | 0 | 0 | 112.6 | N557 A563 M615 V618 N619 L622 Y631 Y632 | N557-M559 PolarHBondContact O-N 3.41Å; N557-M559 VanDerWaalsContact O-N 3.11Å; M559-A563 WeakPolarHBondContact O-CB 3.31Å; M559-A563 PolarHBondContact O-N 3.42Å; M559-M615 HydrophobicContact CE-CB 4.01Å; M559-M615 HydrophobicContact CE-CG 4.48Å; M559-M615 WeakPolarHBondContact CE-O 3.49Å; M559-M615 HydrophobicContact SD-CB 3.9Å; M559-M615 HydrophobicContact SD-CG 4.03Å; M559-V618 HydrophobicContact CB-CG1 3.73Å; M559-V618 HydrophobicContact CG-CG1 4.24Å; M559-V618 HydrophobicContact SD-CB 3.68Å; M559-V618 HydrophobicContact SD-CG1 3.67Å; M559-N619 HydrophobicContact CE-CB 3.84Å; M559-L622 HydrophobicContact CB-CD1 4.29Å; M559-L622 HydrophobicContact CG-CD1 4.24Å; M559-Y631 WeakPolarHBondContact CE-O 3.49Å; M559-Y632 HydrophobicContact CE-CD1 3.79Å; M559-Y632 HydrophobicContact CE-CE1 4.17Å; M559-Y632 HydrophobicContact CE-CG 3.98Å |
| 560 | K | 88.5 | Confident | 86.9 | Confident | 73 Ų | 73 | 40 Ų | 40 | 32% | 0.317 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73 | -33.2 | 179.3 | -170.8 | 172 | 175.3 | 177.2 | 0 | 111.2 | L553 N557 P558 M564 | L553-K560 HydrophobicContact CD1-CD 4.37Å; L553-K560 HydrophobicContact CD2-CB 4.47Å; L553-K560 HydrophobicContact CD2-CG 4.31Å; N557-K560 HydrophobicContact CB-CB 4.07Å; N557-K560 PolarHBondContact O-N 3.49Å; P558-K560 VanDerWaalsContact C-N 3.34Å; P558-K560 PolarHBondContact O-N 3.25Å; K560-M564 HydrophobicContact CG-CE 4.26Å; K560-M564 VanDerWaalsContact O-CG 3.27Å; K560-M564 WeakPolarHBondContact O-CG 3.32Å; K560-M564 PolarHBondContact O-N 2.87Å |
| 561 | F | 89.9 | Confident | 86.8 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.022 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.9 | -48.1 | 173.8 | -174.6 | -96.7 | 0 | 0 | 0 | 111.9 | M550 L553 I554 N557 P558 A563 M564 E565 L600 I612 | M550-F561 HydrophobicContact CG-CD2 4.49Å; M550-F561 HydrophobicContact CG-CE2 3.85Å; L553-F561 HydrophobicContact CB-CD2 4.44Å; L553-F561 HydrophobicContact CD2-CB 4.12Å; L553-F561 HydrophobicContact CD2-CD2 4.34Å; L553-F561 HydrophobicContact CG-CB 4.26Å; I554-F561 HydrophobicContact CD1-CE1 4.26Å; I554-F561 HydrophobicContact CD1-CE2 4.16Å; I554-F561 HydrophobicContact CD1-CZ 3.91Å; I554-F561 HydrophobicContact CG1-CD1 3.99Å; I554-F561 HydrophobicContact CG1-CD2 3.8Å; I554-F561 HydrophobicContact CG1-CE1 3.89Å; I554-F561 HydrophobicContact CG1-CE2 3.71Å; I554-F561 HydrophobicContact CG1-CG 3.94Å; I554-F561 HydrophobicContact CG1-CZ 3.75Å; N557-F561 PolarHBondContact O-N 3.04Å; P558-F561 PolarHBondContact O-N 3.13Å; F561-A563 VanDerWaalsContact C-N 3.29Å; F561-A563 PolarHBondContact O-N 2.92Å; F561-M564 WeakPolarHBondContact O-CB 3.47Å; F561-M564 PolarHBondContact O-N 2.98Å; F561-E565 HydrophobicContact CE1-CG 4.44Å; F561-E565 HydrophobicContact CZ-CG 4.41Å; F561-E565 PolarHBondContact O-N 3.29Å; F561-E565 VanDerWaalsContact O-N 3.08Å; F561-L600 HydrophobicContact CZ-CD1 4.26Å; F561-I612 HydrophobicContact CD1-CG2 3.84Å; F561-I612 HydrophobicContact CE1-CD1 3.94Å; F561-I612 HydrophobicContact CE1-CG1 3.97Å; F561-I612 HydrophobicContact CE1-CG2 3.83Å |
| 562 | A | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -35.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P558 E565 G566 T567 M615 | P558-A562 WeakPolarHBondContact O-CB 3.35Å; P558-A562 PolarHBondContact O-N 2.94Å; A562-E565 PolarHBondContact O-N 3.35Å; A562-G566 PolarHBondContact O-N 2.89Å; A562-T567 PolarHBondContact O-N 2.63Å; A562-T567 PolarHBondContact O-OG1 2.71Å; A562-M615 HydrophobicContact CB-CG 3.66Å |
| 563 | A | 89 | Confident | 86.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.7 | -31.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M559 F561 E565 M615 P633 L638 | M559-A563 WeakPolarHBondContact O-CB 3.31Å; M559-A563 PolarHBondContact O-N 3.42Å; F561-A563 VanDerWaalsContact C-N 3.29Å; F561-A563 PolarHBondContact O-N 2.92Å; A563-E565 VanDerWaalsContact C-N 3.32Å; A563-M615 HydrophobicContact CB-SD 3.74Å; A563-P633 HydrophobicContact CB-CG 3.5Å; A563-L638 HydrophobicContact CB-CD1 3.72Å |
| 564 | M | 88.4 | Confident | 86.3 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -29 | 172.1 | -77.3 | 171.4 | 170.7 | 0 | 0 | 112.3 | L553 K560 F561 L638 F642 R643 | L553-M564 HydrophobicContact CD2-CE 4.39Å; L553-M564 HydrophobicContact CD2-SD 3.62Å; K560-M564 HydrophobicContact CG-CE 4.26Å; K560-M564 VanDerWaalsContact O-CG 3.27Å; K560-M564 WeakPolarHBondContact O-CG 3.32Å; K560-M564 PolarHBondContact O-N 2.87Å; F561-M564 WeakPolarHBondContact O-CB 3.47Å; F561-M564 PolarHBondContact O-N 2.98Å; M564-L638 HydrophobicContact CE-CD2 4.32Å; M564-L638 HydrophobicContact CG-CB 4.46Å; M564-F642 HydrophobicContact CB-CD1 4.46Å; M564-F642 HydrophobicContact CG-CB 4.29Å; M564-F642 HydrophobicContact CG-CG 4.44Å; M564-F642 HydrophobicContact SD-CD2 4.3Å; M564-F642 HydrophobicContact SD-CG 4.49Å; M564-R643 PolarHBondContact O-NH1 3.36Å |
| 565 | E | 87.7 | Confident | 86.2 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -95.5 | -6.2 | 177.5 | -68.8 | -58.4 | 157.4 | 0 | 0 | 115 | F561 A562 A563 T567 W577 T578 L600 R643 | F561-E565 HydrophobicContact CE1-CG 4.44Å; F561-E565 HydrophobicContact CZ-CG 4.41Å; F561-E565 PolarHBondContact O-N 3.29Å; F561-E565 VanDerWaalsContact O-N 3.08Å; A562-E565 PolarHBondContact O-N 3.35Å; A563-E565 VanDerWaalsContact C-N 3.32Å; E565-T567 HydrophobicContact CB-CG2 4.27Å; E565-W577 PolarHBondContact OE1-NE1 3.42Å; E565-W577 PolarHBondContact OE2-NE1 2.89Å; E565-W577 VanDerWaalsContact OE2-NE1 3.1Å; E565-T578 WeakPolarHBondContact O-CB 3.44Å; E565-T578 PolarHBondContact O-OG1 2.77Å; E565-T578 VanDerWaalsContact O-OG1 3.07Å; E565-L600 HydrophobicContact CG-CD1 3.98Å; E565-L600 HydrophobicContact CG-CD2 4.34Å; E565-R643 IonicContact OE2-NH2 2.63Å; E565-R643 PolarHBondContact OE2-NH2 3.45Å |
| 566 | G | 86.1 | Confident | 86.4 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A562 Q590 | A562-G566 PolarHBondContact O-N 2.89Å; G566-Q590 PolarHBondContact O-NE2 3.38Å |
| 567 | T | 86.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | trans | -115.5 | 102.7 | -172.2 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | A562 E565 T571 G614 M615 | A562-T567 PolarHBondContact O-N 2.63Å; A562-T567 PolarHBondContact O-OG1 2.71Å; E565-T567 HydrophobicContact CB-CG2 4.27Å; T567-T571 HydrophobicContact CG2-CG2 3.84Å; T567-G614 WeakPolarHBondContact O-CA 3.34Å; T567-M615 PolarHBondContact O-N 3.44Å | ||
| 568 | Y | 87.2 | Confident | 86.7 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -75.2 | -47.1 | 172.4 | -73.7 | -82.3 | 0 | 0 | 0 | 112.4 | D583 H588 G614 M615 D616 Y632 V635 | Y568-D583 HydrophobicContact CE2-CB 4.06Å; Y568-H588 HydrophobicContact CD1-CB 3.63Å; Y568-H588 VanDerWaalsContact CE1-CA 3.42Å; Y568-H588 HydrophobicContact CE1-CB 3.52Å; Y568-H588 AromaticContact CE1-CG 3.92Å; Y568-H588 HydrophobicContact CG-CB 4.42Å; Y568-H588 VanDerWaalsContact CG-O 3.29Å; Y568-G614 CarbonylContact O-C 3.44Å; Y568-G614 VanDerWaalsContact O-CA 3.24Å; Y568-G614 WeakPolarHBondContact O-CA 3.49Å; Y568-M615 HydrophobicContact CD1-CB 4.31Å; Y568-M615 HydrophobicContact CD1-CE 3.67Å; Y568-M615 HydrophobicContact CD2-CE 3.83Å; Y568-M615 HydrophobicContact CE1-CE 3.71Å; Y568-M615 HydrophobicContact CE1-SD 4.38Å; Y568-M615 HydrophobicContact CE2-CE 3.89Å; Y568-M615 HydrophobicContact CG-CE 3.74Å; Y568-M615 PolarHBondContact O-N 3.14Å; Y568-D616 WeakPolarHBondContact O-CB 3.38Å; Y568-D616 PolarHBondContact O-N 2.98Å; Y568-Y632 HydrophobicContact CD1-CD1 4.37Å; Y568-Y632 HydrophobicContact CD1-CE1 4.11Å; Y568-Y632 HydrophobicContact CE1-CD1 4.07Å; Y568-Y632 HydrophobicContact CE1-CE1 4.23Å; Y568-V635 HydrophobicContact CE1-CG2 4.46Å; Y568-V635 WeakPolarHBondContact OH-CG2 3.17Å |
| 569 | E | 86 | Confident | 86.4 | Confident | 161 Ų | 161 | 37.9 Ų | 37.9 | 75% | 0.752 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -87 | 159.1 | 177 | -61.8 | -173.6 | 169.4 | 0 | 0 | 112.7 | T571 G614 | E569-T571 PolarHBondContact O-N 3.46Å; E569-G614 VanDerWaalsContact O-CA 3.28Å; E569-G614 WeakPolarHBondContact O-CA 3.42Å |
| 570 | D | 88 | Confident | 86.1 | Confident | 88 Ų | 88 | 40.1 Ų | 40.1 | 47% | 0.471 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 129.3 | 174.3 | -73.1 | -4.3 | 0 | 0 | 0 | 110.7 | K613 G614 T617 | D570-K613 VanDerWaalsContact OD1-CA 3.31Å; D570-K613 WeakPolarHBondContact OD1-CA 3.46Å; D570-G614 PolarHBondContact OD1-N 3.25Å; D570-T617 VanDerWaalsContact CG-OG1 3.23Å; D570-T617 WeakPolarHBondContact OD1-CB 3.38Å; D570-T617 PolarHBondContact OD1-OG1 3Å; D570-T617 PolarHBondContact OD2-OG1 3.2Å |
| 571 | T | 84.9 | Confident | 85.9 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 16% | 0.16 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 151 | -179.9 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | T567 E569 S611 I612 | T567-T571 HydrophobicContact CG2-CG2 3.84Å; E569-T571 PolarHBondContact O-N 3.46Å; T571-S611 WeakPolarHBondContact O-CB 3.41Å; T571-I612 PolarHBondContact N-O 2.94Å; T571-I612 WeakPolarHBondContact OG1-CA 3.4Å; T571-I612 PolarHBondContact OG1-N 3.34Å; T571-I612 PolarHBondContact OG1-O 3.46Å |
| 572 | G | 81.2 | Confident | 85.6 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 52% | 0.515 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 165.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P574 A575 | G572-P574 CarbonylContact O-C 3.14Å; G572-A575 WeakPolarHBondContact O-CA 3.19Å; G572-A575 PolarHBondContact O-N 3.46Å |
| 573 | D | 83.7 | Confident | 85.2 | Confident | 100 Ų | 100 | 43.8 Ų | 43.8 | 54% | 0.535 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -102.7 | 110.3 | 163.5 | -170.5 | -9 | 0 | 0 | 0 | 108.5 | S609 G610 | D573-S609 WeakPolarHBondContact OD1-CA 3.38Å; D573-S609 VanDerWaalsContact OD1-CB 3.24Å; D573-S609 WeakPolarHBondContact OD1-CB 3.22Å; D573-G610 PolarHBondContact OD1-N 2.97Å; D573-G610 PolarHBondContact OD2-N 2.95Å |
| 574 | P | 80.5 | Confident | 84.9 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | S | Bend | cis | -88.7 | 149.1 | 4.8 | 33.4 | -30.6 | 0 | 0 | 0 | 113.7 | G572 Y598 | G572-P574 CarbonylContact O-C 3.14Å; P574-Y598 HydrophobicContact CB-CD1 3.87Å; P574-Y598 HydrophobicContact CB-CE1 4.4Å; P574-Y598 HydrophobicContact CG-CD1 3.34Å; P574-Y598 HydrophobicContact CG-CE1 3.42Å; P574-Y598 VanDerWaalsContact CG-CE1 3.42Å; P574-Y598 HydrophobicContact CG-CG 4.13Å |
| 575 | A | 85.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 136.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | G572 Y598 L600 S601 I612 | G572-A575 WeakPolarHBondContact O-CA 3.19Å; G572-A575 PolarHBondContact O-N 3.46Å; A575-Y598 CarbonylContact O-C 3.53Å; A575-Y598 VanDerWaalsContact O-C 3.31Å; A575-Y598 WeakPolarHBondContact O-CA 3.27Å; A575-Y598 PolarHBondContact O-N 2.97Å; A575-L600 HydrophobicContact CB-CB 4.01Å; A575-L600 HydrophobicContact CB-CD2 4.17Å; A575-L600 HydrophobicContact CB-CG 4.13Å; A575-L600 PolarHBondContact O-N 3.33Å; A575-S601 PolarHBondContact N-OG 3.41Å; A575-I612 HydrophobicContact CB-CD1 4.37Å |
| 576 | A | 86.3 | Confident | 84.1 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 147.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q595 I596 L600 | A576-Q595 HydrophobicContact CB-CB 4.04Å; A576-I596 CarbonylContact C-O 3.59Å; A576-I596 WeakPolarHBondContact CA-O 3.3Å; A576-L600 WeakPolarHBondContact O-CB 3.33Å; A576-L600 WeakPolarHBondContact O-CD2 3.33Å |
| 577 | W | 86.6 | Confident | 83.8 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 21% | 0.212 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.3 | 179.2 | -176.3 | 54.8 | 0 | 0 | 0 | 111.7 | E565 L579 Q595 I596 M599 L600 L603 | E565-W577 PolarHBondContact OE1-NE1 3.42Å; E565-W577 PolarHBondContact OE2-NE1 2.89Å; E565-W577 VanDerWaalsContact OE2-NE1 3.1Å; W577-L579 HydrophobicContact CH2-CD1 3.84Å; W577-L579 HydrophobicContact CZ3-CD1 3.62Å; W577-L579 PolarHBondContact O-N 3.36Å; W577-Q595 CarbonylContact O-C 3.31Å; W577-Q595 WeakPolarHBondContact O-CA 3.35Å; W577-I596 HydrophobicContact CE3-CD1 4.14Å; W577-I596 HydrophobicContact CZ3-CD1 4.35Å; W577-I596 PolarHBondContact N-O 3.42Å; W577-I596 PolarHBondContact O-N 3.46Å; W577-M599 HydrophobicContact CB-CB 3.71Å; W577-M599 HydrophobicContact CB-CG 3.93Å; W577-M599 HydrophobicContact CD2-CG 4.44Å; W577-M599 HydrophobicContact CE3-CG 4.2Å; W577-M599 HydrophobicContact CG-CG 4.35Å; W577-L600 HydrophobicContact CB-CB 3.9Å; W577-L603 HydrophobicContact CD2-CD1 4.2Å; W577-L603 HydrophobicContact CG-CD1 4.1Å |
| 578 | T | 86.2 | Confident | 83.5 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 108.4 | -177.6 | -42.3 | 0 | 0 | 0 | 0 | 110.1 | E565 A581 I594 Q595 F639 R643 | E565-T578 WeakPolarHBondContact O-CB 3.44Å; E565-T578 PolarHBondContact O-OG1 2.77Å; E565-T578 VanDerWaalsContact O-OG1 3.07Å; T578-A581 HydrophobicContact CG2-CB 3.78Å; T578-I594 CarbonylContact C-O 3.42Å; T578-Q595 HydrophobicContact CG2-CG 4.48Å; T578-F639 HydrophobicContact CG2-CE2 3.88Å; T578-F639 HydrophobicContact CG2-CZ 3.94Å; T578-R643 PolarHBondContact O-NE 3.49Å; T578-R643 VanDerWaalsContact O-NE 3.15Å; T578-R643 PolarHBondContact O-NH2 3.05Å |
| 579 | L | 81.7 | Confident | 83.1 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 38% | 0.382 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -45.3 | -179.5 | -178 | 67.3 | 0 | 0 | 0 | 111.5 | W577 I594 R643 | W577-L579 HydrophobicContact CH2-CD1 3.84Å; W577-L579 HydrophobicContact CZ3-CD1 3.62Å; W577-L579 PolarHBondContact O-N 3.36Å; L579-I594 PolarHBondContact N-O 3.23Å; L579-R643 WeakPolarHBondContact O-CD 3.35Å; L579-R643 PolarHBondContact O-NE 2.64Å |
| 580 | I | 84.3 | Confident | 82.7 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 33% | 0.328 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140.5 | 179.8 | -69.7 | 171.9 | 0 | 0 | 0 | 107.2 | F592 G593 I594 W640 | I580-F592 HydrophobicContact CG2-CE1 4.34Å; I580-G593 CarbonylContact O-C 2.95Å; I580-G593 VanDerWaalsContact O-CA 3.25Å; I580-G593 WeakPolarHBondContact O-CA 3.39Å; I580-I594 PolarHBondContact O-N 2.97Å; I580-W640 HydrophobicContact CG1-CH2 4.23Å; I580-W640 HydrophobicContact CG2-CH2 3.94Å; I580-W640 HydrophobicContact CG2-CZ2 3.98Å |
| 581 | A | 83.7 | Confident | 82.3 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 165.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T578 Q590 F592 F639 W640 | T578-A581 HydrophobicContact CG2-CB 3.78Å; A581-Q590 HydrophobicContact CB-CG 4.5Å; A581-F592 CarbonylContact C-O 3.59Å; A581-F592 VanDerWaalsContact CA-O 3.22Å; A581-F592 WeakPolarHBondContact CA-O 3.31Å; A581-F639 HydrophobicContact CB-CD2 4.33Å; A581-F639 HydrophobicContact CB-CE1 3.88Å; A581-F639 HydrophobicContact CB-CE2 3.63Å; A581-F639 HydrophobicContact CB-CZ 3.39Å; A581-F639 VanDerWaalsContact N-CE1 3.26Å; A581-W640 WeakPolarHBondContact O-CZ2 3.46Å; A581-W640 PolarHBondContact O-NE1 3.09Å |
| 582 | W | 83.8 | Confident | 81.9 | Confident | 150 Ų | 150 | 71.5 Ų | 71.5 | 57% | 0.568 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 129.7 | 162.4 | -167.8 | -87.3 | 0 | 0 | 0 | 109.5 | V591 F592 W640 | W582-V591 WeakPolarHBondContact O-CB 3.34Å; W582-V591 PolarHBondContact O-N 2.69Å; W582-F592 PolarHBondContact N-O 3Å; W582-F592 PolarHBondContact O-N 3.39Å; W582-W640 AromaticContact CE3-NE1 3.93Å |
| 583 | D | 81.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.1 | -170.1 | -64.7 | -59.3 | 0 | 0 | 0 | 111.8 | Y568 E585 Q590 V635 N636 | Y568-D583 HydrophobicContact CE2-CB 4.06Å; D583-E585 PolarHBondContact O-N 2.98Å; D583-Q590 WeakPolarHBondContact OD1-CA 3.35Å; D583-Q590 VanDerWaalsContact OD1-CB 3.28Å; D583-Q590 WeakPolarHBondContact OD1-CB 3.22Å; D583-Q590 WeakPolarHBondContact OD1-CG 3.31Å; D583-Q590 PolarHBondContact OD1-NE2 3.18Å; D583-V635 HydrophobicContact CB-CG1 4.31Å; D583-V635 WeakPolarHBondContact OD2-CG1 3.46Å; D583-N636 PolarHBondContact N-OD1 3.37Å; D583-N636 PolarHBondContact O-ND2 3.35Å |
| 584 | N | 83.1 | Confident | 81.7 | Confident | 49 Ų | 49 | 69.4 Ų | 69.4 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 92.1 | 170.3 | -177.9 | -9 | 0 | 0 | 0 | 109 | R586 E587 H588 K589 V591 | N584-R586 PolarHBondContact O-N 3.05Å; N584-R586 VanDerWaalsContact O-N 3.09Å; N584-R586 PolarHBondContact OD1-N 3.07Å; N584-R586 VanDerWaalsContact OD1-N 3.16Å; N584-E587 HydrophobicContact CB-CB 4.35Å; N584-E587 VanDerWaalsContact ND2-CD 3.33Å; N584-E587 WeakPolarHBondContact ND2-CG 3.43Å; N584-E587 PolarHBondContact ND2-OE1 2.97Å; N584-E587 PolarHBondContact O-N 2.9Å; N584-E587 PolarHBondContact OD1-N 3.42Å; N584-H588 PolarHBondContact O-N 3.37Å; N584-K589 PolarHBondContact N-O 3.46Å; N584-K589 PolarHBondContact O-N 3.19Å; N584-V591 HydrophobicContact CB-CG2 3.79Å |
| 585 | E | 82 | Confident | 81.9 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.3 | -178.2 | -69.4 | 176.2 | -160.5 | 0 | 0 | 114.1 | D583 H588 V635 N636 | D583-E585 PolarHBondContact O-N 2.98Å; E585-H588 PolarHBondContact O-CD2 3.03Å; E585-V635 HydrophobicContact CG-CB 4.3Å; E585-V635 PolarHBondContact OE1-N 3.12Å; E585-V635 VanDerWaalsContact OE1-N 3.1Å; E585-N636 WeakPolarHBondContact OE1-CB 3.34Å; E585-N636 PolarHBondContact OE1-N 2.61Å; E585-N636 PolarHBondContact OE1-ND2 3.18Å |
| 586 | R | 77.8 | Confident | 81.9 | Confident | 237 Ų | 237 | 75.3 Ų | 75.3 | 89% | 0.894 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -28.5 | 173.8 | -67.4 | -175.1 | 177.2 | -174.5 | -0.9 | 113.7 | N584 | N584-R586 PolarHBondContact O-N 3.05Å; N584-R586 VanDerWaalsContact O-N 3.09Å; N584-R586 PolarHBondContact OD1-N 3.07Å; N584-R586 VanDerWaalsContact OD1-N 3.16Å |
| 587 | E | 78.9 | Confident | 81.7 | Confident | 112 Ų | 112 | 78.2 Ų | 78.2 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -6.9 | -179.4 | -76.2 | -173.1 | -126.5 | 0 | 0 | 113.8 | N584 K589 | N584-E587 HydrophobicContact CB-CB 4.35Å; N584-E587 VanDerWaalsContact ND2-CD 3.33Å; N584-E587 WeakPolarHBondContact ND2-CG 3.43Å; N584-E587 PolarHBondContact ND2-OE1 2.97Å; N584-E587 PolarHBondContact O-N 2.9Å; N584-E587 PolarHBondContact OD1-N 3.42Å; E587-K589 HydrophobicContact CB-CB 4.49Å; E587-K589 HydrophobicContact CB-CD 4.31Å; E587-K589 HydrophobicContact CB-CG 4.43Å; E587-K589 IonicContact OE2-NZ 2.94Å; E587-K589 PolarHBondContact OE2-NZ 3.3Å |
| 588 | H | 81.9 | Confident | 81.5 | Confident | 55 Ų | 55 | 81.9 Ų | 81.9 | 26% | 0.255 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 44.9 | -172.9 | -59.6 | 176.8 | 0 | 0 | 0 | 112.7 | Y568 N584 E585 Y632 | Y568-H588 HydrophobicContact CD1-CB 3.63Å; Y568-H588 VanDerWaalsContact CE1-CA 3.42Å; Y568-H588 HydrophobicContact CE1-CB 3.52Å; Y568-H588 AromaticContact CE1-CG 3.92Å; Y568-H588 HydrophobicContact CG-CB 4.42Å; Y568-H588 VanDerWaalsContact CG-O 3.29Å; N584-H588 PolarHBondContact O-N 3.37Å; E585-H588 PolarHBondContact O-CD2 3.03Å; H588-Y632 AromaticContact CE1-CD2 3.39Å; H588-Y632 WeakPolarHBondContact CE1-CD2 3.42Å; H588-Y632 AromaticContact CE1-CE2 3.21Å; H588-Y632 WeakPolarHBondContact CE1-CE2 3.42Å; H588-Y632 AromaticContact CE1-CG 3.89Å; H588-Y632 AromaticContact CE1-CZ 3.56Å; H588-Y632 AromaticContact ND1-CE1 3.78Å; H588-Y632 AromaticContact ND1-CE2 3.59Å; H588-Y632 AromaticContact ND1-CZ 3.41Å; H588-Y632 AromaticContact NE2-CD2 3.87Å |
| 589 | K | 78.2 | Confident | 81.5 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 52% | 0.517 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.4 | -176.4 | -68.6 | 174.5 | -157.6 | 154.3 | 0 | 112.9 | N584 E587 | N584-K589 PolarHBondContact N-O 3.46Å; N584-K589 PolarHBondContact O-N 3.19Å; E587-K589 HydrophobicContact CB-CB 4.49Å; E587-K589 HydrophobicContact CB-CD 4.31Å; E587-K589 HydrophobicContact CB-CG 4.43Å; E587-K589 IonicContact OE2-NZ 2.94Å; E587-K589 PolarHBondContact OE2-NZ 3.3Å |
| 590 | Q | 77.3 | Confident | 81.7 | Confident | 62 Ų | 62 | 81.8 Ų | 81.8 | 29% | 0.29 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 126.9 | 168.4 | -170.7 | 155.6 | 102.7 | 0 | 0 | 110.9 | G566 A581 D583 F592 | G566-Q590 PolarHBondContact O-NE2 3.38Å; A581-Q590 HydrophobicContact CB-CG 4.5Å; D583-Q590 WeakPolarHBondContact OD1-CA 3.35Å; D583-Q590 VanDerWaalsContact OD1-CB 3.28Å; D583-Q590 WeakPolarHBondContact OD1-CB 3.22Å; D583-Q590 WeakPolarHBondContact OD1-CG 3.31Å; D583-Q590 PolarHBondContact OD1-NE2 3.18Å; Q590-F592 WeakPolarHBondContact CG-O 3.44Å |
| 591 | V | 79.1 | Confident | 81.8 | Confident | 101 Ų | 101 | 78.7 Ų | 78.7 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -38.5 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | W582 N584 | W582-V591 WeakPolarHBondContact O-CB 3.34Å; W582-V591 PolarHBondContact O-N 2.69Å; N584-V591 HydrophobicContact CB-CG2 3.79Å |
| 592 | F | 77.3 | Confident | 81.9 | Confident | 117 Ų | 117 | 82.1 Ų | 82.1 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 146.2 | 178.6 | 174.1 | -100.9 | 0 | 0 | 0 | 109.8 | I580 A581 W582 Q590 I594 | I580-F592 HydrophobicContact CG2-CE1 4.34Å; A581-F592 CarbonylContact C-O 3.59Å; A581-F592 VanDerWaalsContact CA-O 3.22Å; A581-F592 WeakPolarHBondContact CA-O 3.31Å; W582-F592 PolarHBondContact N-O 3Å; W582-F592 PolarHBondContact O-N 3.39Å; Q590-F592 WeakPolarHBondContact CG-O 3.44Å; F592-I594 HydrophobicContact CE1-CD1 4.25Å; F592-I594 HydrophobicContact CE1-CG1 3.97Å; F592-I594 HydrophobicContact CZ-CD1 4.02Å; F592-I594 HydrophobicContact CZ-CG1 3.71Å |
| 593 | G | 77.2 | Confident | 81.9 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 147.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I580 | I580-G593 CarbonylContact O-C 2.95Å; I580-G593 VanDerWaalsContact O-CA 3.25Å; I580-G593 WeakPolarHBondContact O-CA 3.39Å |
| 594 | I | 83.4 | Confident | 82 | Confident | 77 Ų | 77 | 78 Ų | 78 | 40% | 0.395 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.2 | 171.5 | -60.6 | 177.6 | 0 | 0 | 0 | 107.9 | T578 L579 I580 F592 | T578-I594 CarbonylContact C-O 3.42Å; L579-I594 PolarHBondContact N-O 3.23Å; I580-I594 PolarHBondContact O-N 2.97Å; F592-I594 HydrophobicContact CE1-CD1 4.25Å; F592-I594 HydrophobicContact CE1-CG1 3.97Å; F592-I594 HydrophobicContact CZ-CD1 4.02Å; F592-I594 HydrophobicContact CZ-CG1 3.71Å |
| 595 | Q | 85 | Confident | 82.1 | Confident | 113 Ų | 113 | 79.3 Ų | 79.3 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 139.4 | -174.8 | -63.1 | 179.7 | 5.4 | 0 | 0 | 112.5 | A576 W577 T578 | A576-Q595 HydrophobicContact CB-CB 4.04Å; W577-Q595 CarbonylContact O-C 3.31Å; W577-Q595 WeakPolarHBondContact O-CA 3.35Å; T578-Q595 HydrophobicContact CG2-CG 4.48Å |
| 596 | I | 84.4 | Confident | 82.1 | Confident | 60 Ų | 60 | 81.6 Ų | 81.6 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 113 | 174.2 | -56.4 | -176.4 | 0 | 0 | 0 | 108.3 | A576 W577 M599 | A576-I596 CarbonylContact C-O 3.59Å; A576-I596 WeakPolarHBondContact CA-O 3.3Å; W577-I596 HydrophobicContact CE3-CD1 4.14Å; W577-I596 HydrophobicContact CZ3-CD1 4.35Å; W577-I596 PolarHBondContact N-O 3.42Å; W577-I596 PolarHBondContact O-N 3.46Å; I596-M599 HydrophobicContact CB-CB 4.3Å; I596-M599 HydrophobicContact CG2-CB 3.99Å; I596-M599 HydrophobicContact CG2-CE 4.31Å |
| 597 | P | 82.8 | Confident | 82.4 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 155 | -174.7 | 28 | -35.8 | 0 | 0 | 0 | 112.4 | M599 | P597-M599 PolarHBondContact O-N 2.86Š|
| 598 | Y | 83.1 | Confident | 82.5 | Confident | 132 Ų | 132 | 73.8 Ų | 73.8 | 52% | 0.518 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -24.1 | -176.4 | -53.4 | -95.7 | 0 | 0 | 0 | 116.8 | P574 A575 L600 S601 I602 | P574-Y598 HydrophobicContact CB-CD1 3.87Å; P574-Y598 HydrophobicContact CB-CE1 4.4Å; P574-Y598 HydrophobicContact CG-CD1 3.34Å; P574-Y598 HydrophobicContact CG-CE1 3.42Å; P574-Y598 VanDerWaalsContact CG-CE1 3.42Å; P574-Y598 HydrophobicContact CG-CG 4.13Å; A575-Y598 CarbonylContact O-C 3.53Å; A575-Y598 VanDerWaalsContact O-C 3.31Å; A575-Y598 WeakPolarHBondContact O-CA 3.27Å; A575-Y598 PolarHBondContact O-N 2.97Å; Y598-L600 PolarHBondContact O-N 3.21Å; Y598-S601 PolarHBondContact O-N 2.92Å; Y598-I602 WeakPolarHBondContact O-CG1 3.4Å; Y598-I602 PolarHBondContact O-N 3.37Å |
| 599 | M | 85 | Confident | 82.5 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | -166.6 | -172.6 | 65.1 | 70.9 | 0 | 0 | 113.3 | W577 I596 P597 I602 L603 | W577-M599 HydrophobicContact CB-CB 3.71Å; W577-M599 HydrophobicContact CB-CG 3.93Å; W577-M599 HydrophobicContact CD2-CG 4.44Å; W577-M599 HydrophobicContact CE3-CG 4.2Å; W577-M599 HydrophobicContact CG-CG 4.35Å; I596-M599 HydrophobicContact CB-CB 4.3Å; I596-M599 HydrophobicContact CG2-CB 3.99Å; I596-M599 HydrophobicContact CG2-CE 4.31Å; P597-M599 PolarHBondContact O-N 2.86Å; M599-I602 PolarHBondContact O-N 3.35Å; M599-L603 HydrophobicContact CG-CD1 4.03Å; M599-L603 HydrophobicContact CG-CG 4.41Å; M599-L603 WeakPolarHBondContact O-CG 3.41Å; M599-L603 PolarHBondContact O-N 3.06Å |
| 600 | L | 85.6 | Confident | 82.6 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.3 | -35.5 | -177.3 | -179.6 | 55.5 | 0 | 0 | 0 | 112.1 | F561 E565 A575 A576 W577 Y598 I602 S604 I612 | F561-L600 HydrophobicContact CZ-CD1 4.26Å; E565-L600 HydrophobicContact CG-CD1 3.98Å; E565-L600 HydrophobicContact CG-CD2 4.34Å; A575-L600 HydrophobicContact CB-CB 4.01Å; A575-L600 HydrophobicContact CB-CD2 4.17Å; A575-L600 HydrophobicContact CB-CG 4.13Å; A575-L600 PolarHBondContact O-N 3.33Å; A576-L600 WeakPolarHBondContact O-CB 3.33Å; A576-L600 WeakPolarHBondContact O-CD2 3.33Å; W577-L600 HydrophobicContact CB-CB 3.9Å; Y598-L600 PolarHBondContact O-N 3.21Å; L600-I602 VanDerWaalsContact C-N 3.31Å; L600-I602 PolarHBondContact O-N 2.87Å; L600-S604 WeakPolarHBondContact O-CB 3.34Å; L600-S604 PolarHBondContact O-N 3.32Å; L600-S604 PolarHBondContact O-OG 3.47Å; L600-I612 HydrophobicContact CD1-CD1 3.96Å; L600-I612 HydrophobicContact CD2-CD1 3.71Å; L600-I612 HydrophobicContact CG-CD1 3.48Å; L600-I612 VanDerWaalsContact CG-CD1 3.48Å |
| 601 | S | 87 | Confident | 83.1 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 169.7 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | A575 Y598 Y605 K607 G610 | A575-S601 PolarHBondContact N-OG 3.41Å; Y598-S601 PolarHBondContact O-N 2.92Å; S601-Y605 WeakPolarHBondContact O-CB 3.42Å; S601-Y605 PolarHBondContact O-N 3.28Å; S601-K607 CarbonylContact C-O 3.17Å; S601-K607 VanDerWaalsContact O-O 3.09Å; S601-G610 PolarHBondContact OG-O 2.86Å |
| 602 | I | 85 | Confident | 83.4 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -48.9 | 178.9 | -65.6 | 167.8 | 0 | 0 | 0 | 110.7 | Y598 M599 L600 N606 K607 P608 | Y598-I602 WeakPolarHBondContact O-CG1 3.4Å; Y598-I602 PolarHBondContact O-N 3.37Å; M599-I602 PolarHBondContact O-N 3.35Å; L600-I602 VanDerWaalsContact C-N 3.31Å; L600-I602 PolarHBondContact O-N 2.87Å; I602-N606 VanDerWaalsContact O-CA 3.22Å; I602-N606 WeakPolarHBondContact O-CA 3.42Å; I602-N606 PolarHBondContact O-N 3.47Å; I602-K607 WeakPolarHBondContact CA-O 3.21Å; I602-K607 PolarHBondContact N-O 3.49Å; I602-P608 HydrophobicContact CG1-CB 4.38Å |
| 603 | L | 84.4 | Confident | 83.9 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 178.2 | -69.1 | 169.8 | 0 | 0 | 0 | 112.3 | M550 K551 W577 M599 | M550-L603 HydrophobicContact CE-CB 4.32Å; M550-L603 WeakPolarHBondContact CE-O 3.27Å; K551-L603 WeakPolarHBondContact CE-O 3.45Å; K551-L603 PolarHBondContact NZ-O 2.81Å; W577-L603 HydrophobicContact CD2-CD1 4.2Å; W577-L603 HydrophobicContact CG-CD1 4.1Å; M599-L603 HydrophobicContact CG-CD1 4.03Å; M599-L603 HydrophobicContact CG-CG 4.41Å; M599-L603 WeakPolarHBondContact O-CG 3.41Å; M599-L603 PolarHBondContact O-N 3.06Å |
| 604 | S | 83.5 | Confident | 84.5 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77.7 | -44 | -175.9 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | L600 | L600-S604 WeakPolarHBondContact O-CB 3.34Å; L600-S604 PolarHBondContact O-N 3.32Å; L600-S604 PolarHBondContact O-OG 3.47Å |
| 605 | Y | 84.2 | Confident | 84.8 | Confident | 77 Ų | 77 | 57.4 Ų | 57.4 | 30% | 0.302 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -121.1 | 5.6 | -167.1 | -57.3 | -60.2 | 0 | 0 | 0 | 114.5 | S601 K607 S611 I612 | S601-Y605 WeakPolarHBondContact O-CB 3.42Å; S601-Y605 PolarHBondContact O-N 3.28Å; Y605-K607 PolarHBondContact O-N 2.58Å; Y605-K607 VanDerWaalsContact O-N 3.1Å; Y605-S611 PolarHBondContact OH-O 2.71Å; Y605-S611 VanDerWaalsContact OH-O 3.13Å; Y605-I612 HydrophobicContact CE2-CG1 4.26Å |
| 606 | N | 81.9 | Confident | 85.1 | Confident | 123 Ų | 123 | 54 Ų | 54 | 66% | 0.658 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 54.4 | 24.1 | -175.4 | -63.3 | -21.2 | 0 | 0 | 0 | 113.9 | K551 I602 | K551-N606 WeakPolarHBondContact CE-OD1 3.44Å; K551-N606 PolarHBondContact NZ-OD1 2.91Å; I602-N606 VanDerWaalsContact O-CA 3.22Å; I602-N606 WeakPolarHBondContact O-CA 3.42Å; I602-N606 PolarHBondContact O-N 3.47Å |
| 607 | K | 85.3 | Confident | 85.4 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -147.8 | 153.5 | -176.9 | 77 | -162.9 | -176 | -168.7 | 0 | 110 | S601 I602 Y605 S609 | S601-K607 CarbonylContact C-O 3.17Å; S601-K607 VanDerWaalsContact O-O 3.09Å; I602-K607 WeakPolarHBondContact CA-O 3.21Å; I602-K607 PolarHBondContact N-O 3.49Å; Y605-K607 PolarHBondContact O-N 2.58Å; Y605-K607 VanDerWaalsContact O-N 3.1Å; K607-S609 WeakPolarHBondContact CE-O 3.41Å; K607-S609 VanDerWaalsContact CG-O 3.23Å; K607-S609 WeakPolarHBondContact CG-O 3.42Å; K607-S609 PolarHBondContact O-N 2.67Å |
| 608 | P | 81.1 | Confident | 85.7 | Confident | 88 Ų | 88 | 49 Ų | 49 | 57% | 0.571 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -80.1 | 36.4 | -178.2 | 35.5 | -37.8 | 0 | 0 | 0 | 113.4 | I602 | I602-P608 HydrophobicContact CG1-CB 4.38Š|
| 609 | S | 81.4 | Confident | 86 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 33% | 0.329 | 24% | 0.235 | S | C | . | . | trans | -157.1 | 162.9 | 177.7 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | D573 K607 | D573-S609 WeakPolarHBondContact OD1-CA 3.38Å; D573-S609 VanDerWaalsContact OD1-CB 3.24Å; D573-S609 WeakPolarHBondContact OD1-CB 3.22Å; K607-S609 WeakPolarHBondContact CE-O 3.41Å; K607-S609 VanDerWaalsContact CG-O 3.23Å; K607-S609 WeakPolarHBondContact CG-O 3.42Å; K607-S609 PolarHBondContact O-N 2.67Å | ||
| 610 | G | 80.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | trans | 107.1 | 131.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D573 S601 | D573-G610 PolarHBondContact OD1-N 2.97Å; D573-G610 PolarHBondContact OD2-N 2.95Å; S601-G610 PolarHBondContact OG-O 2.86Å | ||
| 611 | S | 87.4 | Confident | 86.3 | Confident | 62 Ų | 62 | 50.8 Ų | 50.8 | 43% | 0.434 | 27% | 0.265 | S | S | . | . | trans | -99.7 | 157.6 | 178.2 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | T571 Y605 | T571-S611 WeakPolarHBondContact O-CB 3.41Å; Y605-S611 PolarHBondContact OH-O 2.71Å; Y605-S611 VanDerWaalsContact OH-O 3.13Å | ||
| 612 | I | 85.8 | Confident | 86.3 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | trans | -117.1 | 139.7 | 177.5 | -67.2 | 131.7 | 0 | 0 | 0 | 109.5 | F561 T571 A575 L600 Y605 | F561-I612 HydrophobicContact CD1-CG2 3.84Å; F561-I612 HydrophobicContact CE1-CD1 3.94Å; F561-I612 HydrophobicContact CE1-CG1 3.97Å; F561-I612 HydrophobicContact CE1-CG2 3.83Å; T571-I612 PolarHBondContact N-O 2.94Å; T571-I612 WeakPolarHBondContact OG1-CA 3.4Å; T571-I612 PolarHBondContact OG1-N 3.34Å; T571-I612 PolarHBondContact OG1-O 3.46Å; A575-I612 HydrophobicContact CB-CD1 4.37Å; L600-I612 HydrophobicContact CD1-CD1 3.96Å; L600-I612 HydrophobicContact CD2-CD1 3.71Å; L600-I612 HydrophobicContact CG-CD1 3.48Å; L600-I612 VanDerWaalsContact CG-CD1 3.48Å; Y605-I612 HydrophobicContact CE2-CG1 4.26Å | ||
| 613 | K | 88.5 | Confident | 86.4 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | trans | -68.3 | 137.2 | 175.2 | -57.6 | -171.5 | -171.2 | -174.6 | 0 | 111.4 | D570 T617 V618 E621 | D570-K613 VanDerWaalsContact OD1-CA 3.31Å; D570-K613 WeakPolarHBondContact OD1-CA 3.46Å; K613-T617 HydrophobicContact CD-CG2 4.16Å; K613-V618 HydrophobicContact CB-CG2 3.79Å; K613-V618 HydrophobicContact CD-CG2 4.2Å; K613-E621 IonicContact NZ-OE1 2.65Å; K613-E621 PolarHBondContact NZ-OE1 3.38Å; K613-E621 IonicContact NZ-OE2 2.71Å; K613-E621 PolarHBondContact NZ-OE2 3.46Å | ||
| 614 | G | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -78.2 | 162.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T567 Y568 E569 D570 D616 T617 V618 | T567-G614 WeakPolarHBondContact O-CA 3.34Å; Y568-G614 CarbonylContact O-C 3.44Å; Y568-G614 VanDerWaalsContact O-CA 3.24Å; Y568-G614 WeakPolarHBondContact O-CA 3.49Å; E569-G614 VanDerWaalsContact O-CA 3.28Å; E569-G614 WeakPolarHBondContact O-CA 3.42Å; D570-G614 PolarHBondContact OD1-N 3.25Å; G614-D616 PolarHBondContact O-N 3.45Å; G614-T617 PolarHBondContact O-N 3.39Å; G614-V618 WeakPolarHBondContact O-CG2 3.42Å; G614-V618 PolarHBondContact O-N 3.34Å; G614-V618 VanDerWaalsContact O-N 3.09Å | ||
| 615 | M | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.2 | -33 | 178.3 | -67.3 | 178.7 | -82.1 | 0 | 0 | 112.9 | M559 A562 A563 T567 Y568 V618 N619 Y632 V635 | M559-M615 HydrophobicContact CE-CB 4.01Å; M559-M615 HydrophobicContact CE-CG 4.48Å; M559-M615 WeakPolarHBondContact CE-O 3.49Å; M559-M615 HydrophobicContact SD-CB 3.9Å; M559-M615 HydrophobicContact SD-CG 4.03Å; A562-M615 HydrophobicContact CB-CG 3.66Å; A563-M615 HydrophobicContact CB-SD 3.74Å; T567-M615 PolarHBondContact O-N 3.44Å; Y568-M615 HydrophobicContact CD1-CB 4.31Å; Y568-M615 HydrophobicContact CD1-CE 3.67Å; Y568-M615 HydrophobicContact CD2-CE 3.83Å; Y568-M615 HydrophobicContact CE1-CE 3.71Å; Y568-M615 HydrophobicContact CE1-SD 4.38Å; Y568-M615 HydrophobicContact CE2-CE 3.89Å; Y568-M615 HydrophobicContact CG-CE 3.74Å; Y568-M615 PolarHBondContact O-N 3.14Å; M615-V618 PolarHBondContact O-N 3.21Å; M615-N619 VanDerWaalsContact O-CB 3.24Å; M615-N619 WeakPolarHBondContact O-CB 3.5Å; M615-N619 PolarHBondContact O-N 3.26Å; M615-Y632 HydrophobicContact CB-CD1 3.87Å; M615-Y632 HydrophobicContact CB-CE1 3.76Å; M615-V635 HydrophobicContact CE-CG1 3.96Å; M615-V635 HydrophobicContact CE-CG2 3.86Å; M615-V635 HydrophobicContact SD-CG2 3.69Å |
| 616 | D | 90.2 | Very high | 86.4 | Confident | 42 Ų | 42 | 67 Ų | 67 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 179 | -84.1 | 40.7 | 0 | 0 | 0 | 112.8 | Y568 G614 K620 Y632 | Y568-D616 WeakPolarHBondContact O-CB 3.38Å; Y568-D616 PolarHBondContact O-N 2.98Å; G614-D616 PolarHBondContact O-N 3.45Å; D616-K620 VanDerWaalsContact O-CD 3.22Å; D616-K620 WeakPolarHBondContact O-CD 3.34Å; D616-K620 VanDerWaalsContact O-CG 3.22Å; D616-K620 WeakPolarHBondContact O-CG 3.26Å; D616-K620 PolarHBondContact O-N 3.06Å; D616-K620 VanDerWaalsContact O-N 3.16Å; D616-Y632 PolarHBondContact OD1-OH 2.81Å |
| 617 | T | 90.4 | Very high | 86.3 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 110.2 | D570 K613 G614 K620 E621 | D570-T617 VanDerWaalsContact CG-OG1 3.23Å; D570-T617 WeakPolarHBondContact OD1-CB 3.38Å; D570-T617 PolarHBondContact OD1-OG1 3Å; D570-T617 PolarHBondContact OD2-OG1 3.2Å; K613-T617 HydrophobicContact CD-CG2 4.16Å; G614-T617 PolarHBondContact O-N 3.39Å; T617-K620 PolarHBondContact O-N 3.01Å; T617-E621 PolarHBondContact O-N 3.32Å |
| 618 | V | 89.2 | Confident | 86 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 178.6 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | P558 M559 K613 G614 M615 K620 E621 L622 | P558-V618 HydrophobicContact CB-CG2 4.1Å; P558-V618 HydrophobicContact CG-CG1 4.19Å; P558-V618 HydrophobicContact CG-CG2 4.44Å; M559-V618 HydrophobicContact CB-CG1 3.73Å; M559-V618 HydrophobicContact CG-CG1 4.24Å; M559-V618 HydrophobicContact SD-CB 3.68Å; M559-V618 HydrophobicContact SD-CG1 3.67Å; K613-V618 HydrophobicContact CB-CG2 3.79Å; K613-V618 HydrophobicContact CD-CG2 4.2Å; G614-V618 WeakPolarHBondContact O-CG2 3.42Å; G614-V618 PolarHBondContact O-N 3.34Å; G614-V618 VanDerWaalsContact O-N 3.09Å; M615-V618 PolarHBondContact O-N 3.21Å; V618-K620 PolarHBondContact O-N 3.45Å; V618-E621 PolarHBondContact O-N 2.96Å; V618-L622 HydrophobicContact CG1-CD1 4Å; V618-L622 HydrophobicContact CG1-CG 4.26Å; V618-L622 WeakPolarHBondContact O-CB 3.39Å; V618-L622 VanDerWaalsContact O-CG 3.32Å; V618-L622 WeakPolarHBondContact O-CG 3.41Å; V618-L622 PolarHBondContact O-N 3.27Å |
| 619 | N | 89.4 | Confident | 85.8 | Confident | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.118 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 173.6 | -171.1 | 76 | 0 | 0 | 0 | 111.3 | M559 M615 E621 L622 V623 Y631 Y632 | M559-N619 HydrophobicContact CE-CB 3.84Å; M615-N619 VanDerWaalsContact O-CB 3.24Å; M615-N619 WeakPolarHBondContact O-CB 3.5Å; M615-N619 PolarHBondContact O-N 3.26Å; N619-E621 VanDerWaalsContact C-N 3.31Å; N619-E621 PolarHBondContact O-N 3.48Å; N619-L622 PolarHBondContact O-N 3.02Å; N619-V623 WeakPolarHBondContact O-CB 3.45Å; N619-V623 WeakPolarHBondContact O-CG2 3.47Å; N619-V623 PolarHBondContact O-N 3.37Å; N619-Y631 WeakPolarHBondContact OD1-CB 3.27Å; N619-Y631 PolarHBondContact OD1-N 3.12Å; N619-Y631 VanDerWaalsContact OD1-N 3.15Å; N619-Y632 HydrophobicContact CB-CD2 4.43Å; N619-Y632 HydrophobicContact CB-CE1 4.28Å; N619-Y632 HydrophobicContact CB-CE2 3.72Å; N619-Y632 WeakPolarHBondContact OD1-CE2 3.21Å |
| 620 | K | 88.4 | Confident | 85.9 | Confident | 131 Ų | 131 | 73.2 Ų | 73.2 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.4 | -37.9 | 174.1 | -69.4 | 157.7 | -167.2 | 153.4 | 0 | 111.8 | D616 T617 V618 K624 | D616-K620 VanDerWaalsContact O-CD 3.22Å; D616-K620 WeakPolarHBondContact O-CD 3.34Å; D616-K620 VanDerWaalsContact O-CG 3.22Å; D616-K620 WeakPolarHBondContact O-CG 3.26Å; D616-K620 PolarHBondContact O-N 3.06Å; D616-K620 VanDerWaalsContact O-N 3.16Å; T617-K620 PolarHBondContact O-N 3.01Å; V618-K620 PolarHBondContact O-N 3.45Å; K620-K624 VanDerWaalsContact O-CB 3.32Å; K620-K624 WeakPolarHBondContact O-CB 3.35Å; K620-K624 PolarHBondContact O-N 3.03Å |
| 621 | E | 89.1 | Confident | 86.1 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 173.9 | -71.4 | -178.5 | 170.2 | 0 | 0 | 113 | K613 T617 V618 N619 K625 | K613-E621 IonicContact NZ-OE1 2.65Å; K613-E621 PolarHBondContact NZ-OE1 3.38Å; K613-E621 IonicContact NZ-OE2 2.71Å; K613-E621 PolarHBondContact NZ-OE2 3.46Å; T617-E621 PolarHBondContact O-N 3.32Å; V618-E621 PolarHBondContact O-N 2.96Å; N619-E621 VanDerWaalsContact C-N 3.31Å; N619-E621 PolarHBondContact O-N 3.48Å; E621-K625 WeakPolarHBondContact O-CB 3.13Å; E621-K625 PolarHBondContact O-N 2.82Å |
| 622 | L | 87 | Confident | 86.1 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.1 | -45 | 178.2 | -70.8 | 172.8 | 0 | 0 | 0 | 112.5 | M559 V618 N619 K624 K625 Y626 Y631 | M559-L622 HydrophobicContact CB-CD1 4.29Å; M559-L622 HydrophobicContact CG-CD1 4.24Å; V618-L622 HydrophobicContact CG1-CD1 4Å; V618-L622 HydrophobicContact CG1-CG 4.26Å; V618-L622 WeakPolarHBondContact O-CB 3.39Å; V618-L622 VanDerWaalsContact O-CG 3.32Å; V618-L622 WeakPolarHBondContact O-CG 3.41Å; V618-L622 PolarHBondContact O-N 3.27Å; N619-L622 PolarHBondContact O-N 3.02Å; L622-K624 VanDerWaalsContact C-N 3.28Å; L622-K624 PolarHBondContact O-N 3.02Å; L622-K625 PolarHBondContact O-N 2.92Å; L622-Y626 HydrophobicContact CD2-CD2 3.87Å; L622-Y626 HydrophobicContact CD2-CE2 3.77Å; L622-Y626 PolarHBondContact O-N 3.04Å; L622-Y631 HydrophobicContact CB-CD1 4.26Å; L622-Y631 HydrophobicContact CB-CD2 3.72Å; L622-Y631 HydrophobicContact CB-CE2 4.12Å; L622-Y631 HydrophobicContact CB-CG 3.82Å; L622-Y631 HydrophobicContact CD1-CD1 4.34Å; L622-Y631 HydrophobicContact CD1-CG 4.01Å |
| 623 | V | 87.1 | Confident | 86.1 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.6 | -45 | 172.9 | 165.9 | 0 | 0 | 0 | 0 | 110.7 | N619 K625 G627 R629 Y631 | N619-V623 WeakPolarHBondContact O-CB 3.45Å; N619-V623 WeakPolarHBondContact O-CG2 3.47Å; N619-V623 PolarHBondContact O-N 3.37Å; V623-K625 PolarHBondContact O-N 3.01Å; V623-G627 CarbonylContact O-C 3.21Å; V623-G627 WeakPolarHBondContact O-CA 3.34Å; V623-G627 PolarHBondContact O-N 2.89Å; V623-R629 WeakPolarHBondContact CG2-O 3.32Å; V623-Y631 HydrophobicContact CG2-CD2 3.99Å; V623-Y631 HydrophobicContact CG2-CE2 3.83Å |
| 624 | K | 87.4 | Confident | 86 | Confident | 194 Ų | 194 | 74.8 Ų | 74.8 | 84% | 0.843 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.6 | -24.1 | 176.2 | -175.8 | 174.8 | 178.2 | -179.5 | 0 | 113.9 | K620 L622 | K620-K624 VanDerWaalsContact O-CB 3.32Å; K620-K624 WeakPolarHBondContact O-CB 3.35Å; K620-K624 PolarHBondContact O-N 3.03Å; L622-K624 VanDerWaalsContact C-N 3.28Å; L622-K624 PolarHBondContact O-N 3.02Å |
| 625 | K | 83.1 | Confident | 86 | Confident | 146 Ų | 146 | 74.9 Ų | 74.9 | 64% | 0.635 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -98.4 | -31.2 | -175.3 | -172.2 | 179.5 | 177.1 | -157.8 | 0 | 113.9 | E621 L622 V623 | E621-K625 WeakPolarHBondContact O-CB 3.13Å; E621-K625 PolarHBondContact O-N 2.82Å; L622-K625 PolarHBondContact O-N 2.92Å; V623-K625 PolarHBondContact O-N 3.01Å |
| 626 | Y | 82.1 | Confident | 85.8 | Confident | 135 Ų | 135 | 75.7 Ų | 75.7 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -128.4 | -1.3 | -169.1 | -64.1 | -65.5 | 0 | 0 | 0 | 114.3 | L622 Y631 | L622-Y626 HydrophobicContact CD2-CD2 3.87Å; L622-Y626 HydrophobicContact CD2-CE2 3.77Å; L622-Y626 PolarHBondContact O-N 3.04Å; Y626-Y631 VanDerWaalsContact CB-OH 3.27Å; Y626-Y631 WeakPolarHBondContact CB-OH 3.06Å |
| 627 | G | 79.4 | Confident | 85.6 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | trans | 96.8 | 167.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V623 R629 Y631 | V623-G627 CarbonylContact O-C 3.21Å; V623-G627 WeakPolarHBondContact O-CA 3.34Å; V623-G627 PolarHBondContact O-N 2.89Å; G627-R629 PolarHBondContact O-N 3.43Å; G627-R629 VanDerWaalsContact O-N 3.11Å; G627-Y631 WeakPolarHBondContact O-CE2 3.42Å; G627-Y631 PolarHBondContact O-OH 2.81Å | ||
| 628 | D | 78.7 | Confident | 85.5 | Confident | 150 Ų | 150 | 77.5 Ų | 77.5 | 80% | 0.802 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -73.1 | 103.3 | -170.9 | -162.9 | 11.9 | 0 | 0 | 0 | 112.1 | ||
| 629 | R | 78.1 | Confident | 85.5 | Confident | 186 Ų | 186 | 77.3 Ų | 77.3 | 70% | 0.702 | 38% | 0.376 | S | S | * | . | trans | -152 | 158.6 | 178.3 | -60.8 | -173.8 | 176.5 | -171 | -2.2 | 108.8 | V623 G627 Y631 | V623-R629 WeakPolarHBondContact CG2-O 3.32Å; G627-R629 PolarHBondContact O-N 3.43Å; G627-R629 VanDerWaalsContact O-N 3.11Å; R629-Y631 HydrophobicContact CB-CE1 4.45Å; R629-Y631 HydrophobicContact CB-CE2 3.85Å; R629-Y631 WeakPolarHBondContact O-CD2 3.36Å; R629-Y631 VanDerWaalsContact O-CE2 3.22Å; R629-Y631 WeakPolarHBondContact O-CE2 3.34Å | ||
| 630 | N | 82.5 | Confident | 85.5 | Confident | 114 Ų | 114 | 80.3 Ų | 80.3 | 61% | 0.61 | 39% | 0.386 | S | S | * | . | trans | -76 | 121.6 | 167.4 | -177 | -27.2 | 0 | 0 | 0 | 109.4 | Y632 | N630-Y632 WeakPolarHBondContact OD1-CB 3.15Å; N630-Y632 WeakPolarHBondContact OD1-CD2 3.22Å; N630-Y632 PolarHBondContact OD1-N 2.91Å | ||
| 631 | Y | 85.5 | Confident | 85.5 | Confident | 57 Ų | 57 | 78.8 Ų | 78.8 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | trans | -109.6 | 9.2 | 175.3 | -59.4 | -86.8 | 0 | 0 | 0 | 113.5 | M559 N619 L622 V623 Y626 G627 R629 P633 | M559-Y631 WeakPolarHBondContact CE-O 3.49Å; N619-Y631 WeakPolarHBondContact OD1-CB 3.27Å; N619-Y631 PolarHBondContact OD1-N 3.12Å; N619-Y631 VanDerWaalsContact OD1-N 3.15Å; L622-Y631 HydrophobicContact CB-CD1 4.26Å; L622-Y631 HydrophobicContact CB-CD2 3.72Å; L622-Y631 HydrophobicContact CB-CE2 4.12Å; L622-Y631 HydrophobicContact CB-CG 3.82Å; L622-Y631 HydrophobicContact CD1-CD1 4.34Å; L622-Y631 HydrophobicContact CD1-CG 4.01Å; V623-Y631 HydrophobicContact CG2-CD2 3.99Å; V623-Y631 HydrophobicContact CG2-CE2 3.83Å; Y626-Y631 VanDerWaalsContact CB-OH 3.27Å; Y626-Y631 WeakPolarHBondContact CB-OH 3.06Å; G627-Y631 WeakPolarHBondContact O-CE2 3.42Å; G627-Y631 PolarHBondContact O-OH 2.81Å; R629-Y631 HydrophobicContact CB-CE1 4.45Å; R629-Y631 HydrophobicContact CB-CE2 3.85Å; R629-Y631 WeakPolarHBondContact O-CD2 3.36Å; R629-Y631 VanDerWaalsContact O-CE2 3.22Å; R629-Y631 WeakPolarHBondContact O-CE2 3.34Å; Y631-P633 WeakPolarHBondContact O-CD 2.97Å | ||
| 632 | Y | 87.6 | Confident | 85.4 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | trans | -73.2 | 123.8 | 176.5 | -61.9 | -94.1 | 0 | 0 | 0 | 110.6 | M559 Y568 H588 M615 D616 N619 N630 | M559-Y632 HydrophobicContact CE-CD1 3.79Å; M559-Y632 HydrophobicContact CE-CE1 4.17Å; M559-Y632 HydrophobicContact CE-CG 3.98Å; Y568-Y632 HydrophobicContact CD1-CD1 4.37Å; Y568-Y632 HydrophobicContact CD1-CE1 4.11Å; Y568-Y632 HydrophobicContact CE1-CD1 4.07Å; Y568-Y632 HydrophobicContact CE1-CE1 4.23Å; H588-Y632 AromaticContact CE1-CD2 3.39Å; H588-Y632 WeakPolarHBondContact CE1-CD2 3.42Å; H588-Y632 AromaticContact CE1-CE2 3.21Å; H588-Y632 WeakPolarHBondContact CE1-CE2 3.42Å; H588-Y632 AromaticContact CE1-CG 3.89Å; H588-Y632 AromaticContact CE1-CZ 3.56Å; H588-Y632 AromaticContact ND1-CE1 3.78Å; H588-Y632 AromaticContact ND1-CE2 3.59Å; H588-Y632 AromaticContact ND1-CZ 3.41Å; H588-Y632 AromaticContact NE2-CD2 3.87Å; M615-Y632 HydrophobicContact CB-CD1 3.87Å; M615-Y632 HydrophobicContact CB-CE1 3.76Å; D616-Y632 PolarHBondContact OD1-OH 2.81Å; N619-Y632 HydrophobicContact CB-CD2 4.43Å; N619-Y632 HydrophobicContact CB-CE1 4.28Å; N619-Y632 HydrophobicContact CB-CE2 3.72Å; N619-Y632 WeakPolarHBondContact OD1-CE2 3.21Å; N630-Y632 WeakPolarHBondContact OD1-CB 3.15Å; N630-Y632 WeakPolarHBondContact OD1-CD2 3.22Å; N630-Y632 PolarHBondContact OD1-N 2.91Å | ||
| 633 | P | 86.3 | Confident | 85.4 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | trans | -81.7 | 167.1 | 173 | 36.7 | -36.7 | 0 | 0 | 0 | 111 | A563 Y631 V635 L638 | A563-P633 HydrophobicContact CB-CG 3.5Å; Y631-P633 WeakPolarHBondContact O-CD 2.97Å; P633-V635 WeakPolarHBondContact O-CG2 3.37Å; P633-V635 PolarHBondContact O-N 3.33Å; P633-L638 HydrophobicContact CB-CD1 3.62Å; P633-L638 HydrophobicContact CG-CD1 3.66Å | ||
| 634 | P | 85.9 | Confident | 85.4 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | trans | -65 | 101.6 | 172.8 | 27.1 | -34.9 | 0 | 0 | 0 | 110.7 | V637 L638 | P634-V637 HydrophobicContact CB-CB 4.19Å; P634-V637 HydrophobicContact CB-CG2 4.08Å; P634-V637 HydrophobicContact CG-CB 4.43Å; P634-L638 PolarHBondContact O-N 3.38Å | ||
| 635 | V | 87.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.3 | -49.9 | -166.8 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | Y568 D583 E585 M615 P633 V637 L638 F639 | Y568-V635 HydrophobicContact CE1-CG2 4.46Å; Y568-V635 WeakPolarHBondContact OH-CG2 3.17Å; D583-V635 HydrophobicContact CB-CG1 4.31Å; D583-V635 WeakPolarHBondContact OD2-CG1 3.46Å; E585-V635 HydrophobicContact CG-CB 4.3Å; E585-V635 PolarHBondContact OE1-N 3.12Å; E585-V635 VanDerWaalsContact OE1-N 3.1Å; M615-V635 HydrophobicContact CE-CG1 3.96Å; M615-V635 HydrophobicContact CE-CG2 3.86Å; M615-V635 HydrophobicContact SD-CG2 3.69Å; P633-V635 WeakPolarHBondContact O-CG2 3.37Å; P633-V635 PolarHBondContact O-N 3.33Å; V635-V637 PolarHBondContact O-N 3.4Å; V635-L638 PolarHBondContact O-N 3.17Å; V635-L638 VanDerWaalsContact O-N 3.15Å; V635-F639 VanDerWaalsContact O-CB 3.25Å; V635-F639 WeakPolarHBondContact O-CB 3.42Å; V635-F639 PolarHBondContact O-N 2.86Å |
| 636 | N | 87.8 | Confident | 85.5 | Confident | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.2 | -39 | -178.3 | -67.1 | -79.4 | 0 | 0 | 0 | 111.1 | D583 E585 W640 | D583-N636 PolarHBondContact N-OD1 3.37Å; D583-N636 PolarHBondContact O-ND2 3.35Å; E585-N636 WeakPolarHBondContact OE1-CB 3.34Å; E585-N636 PolarHBondContact OE1-N 2.61Å; E585-N636 PolarHBondContact OE1-ND2 3.18Å; N636-W640 WeakPolarHBondContact O-CB 3.46Å; N636-W640 VanDerWaalsContact O-CD1 3.29Å; N636-W640 PolarHBondContact O-N 3.29Å |
| 637 | V | 85.9 | Confident | 85.8 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 111 | P634 V635 N641 | P634-V637 HydrophobicContact CB-CB 4.19Å; P634-V637 HydrophobicContact CB-CG2 4.08Å; P634-V637 HydrophobicContact CG-CB 4.43Å; V635-V637 PolarHBondContact O-N 3.4Å; V637-N641 WeakPolarHBondContact CG1-ND2 3.32Å; V637-N641 WeakPolarHBondContact O-CB 3.34Å; V637-N641 PolarHBondContact O-N 2.93Å; V637-N641 VanDerWaalsContact O-N 3.15Å; V637-N641 PolarHBondContact O-ND2 3.24Å |
| 638 | L | 86.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.3 | -46.9 | 176.6 | -77 | 168.2 | 0 | 0 | 0 | 112.2 | A563 M564 P633 P634 V635 W640 F642 | A563-L638 HydrophobicContact CB-CD1 3.72Å; M564-L638 HydrophobicContact CE-CD2 4.32Å; M564-L638 HydrophobicContact CG-CB 4.46Å; P633-L638 HydrophobicContact CB-CD1 3.62Å; P633-L638 HydrophobicContact CG-CD1 3.66Å; P634-L638 PolarHBondContact O-N 3.38Å; V635-L638 PolarHBondContact O-N 3.17Å; V635-L638 VanDerWaalsContact O-N 3.15Å; L638-W640 PolarHBondContact O-N 3.11Å; L638-F642 WeakPolarHBondContact O-CB 3.41Å; L638-F642 PolarHBondContact O-N 3.43Å; L638-F642 VanDerWaalsContact O-N 3.09Å |
| 639 | F | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.7 | -48.5 | -178.9 | -178 | -83 | 0 | 0 | 0 | 112.3 | T578 A581 V635 R643 | T578-F639 HydrophobicContact CG2-CE2 3.88Å; T578-F639 HydrophobicContact CG2-CZ 3.94Å; A581-F639 HydrophobicContact CB-CD2 4.33Å; A581-F639 HydrophobicContact CB-CE1 3.88Å; A581-F639 HydrophobicContact CB-CE2 3.63Å; A581-F639 HydrophobicContact CB-CZ 3.39Å; A581-F639 VanDerWaalsContact N-CE1 3.26Å; V635-F639 VanDerWaalsContact O-CB 3.25Å; V635-F639 WeakPolarHBondContact O-CB 3.42Å; V635-F639 PolarHBondContact O-N 2.86Å; F639-R643 VanDerWaalsContact CD2-NH1 3.33Å; F639-R643 VanDerWaalsContact CE1-CD 3.46Å; F639-R643 PolarHBondContact O-N 3.22Å; F639-R643 PolarHBondContact O-NH1 2.97Å |
| 640 | W | 89.3 | Confident | 87 | Confident | 86 Ų | 86 | 58 Ų | 58 | 33% | 0.326 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.3 | -40.7 | -178 | -76.7 | 102.4 | 0 | 0 | 0 | 112.6 | I580 A581 W582 N636 L638 F642 R643 I644 | I580-W640 HydrophobicContact CG1-CH2 4.23Å; I580-W640 HydrophobicContact CG2-CH2 3.94Å; I580-W640 HydrophobicContact CG2-CZ2 3.98Å; A581-W640 WeakPolarHBondContact O-CZ2 3.46Å; A581-W640 PolarHBondContact O-NE1 3.09Å; W582-W640 AromaticContact CE3-NE1 3.93Å; N636-W640 WeakPolarHBondContact O-CB 3.46Å; N636-W640 VanDerWaalsContact O-CD1 3.29Å; N636-W640 PolarHBondContact O-N 3.29Å; L638-W640 PolarHBondContact O-N 3.11Å; W640-F642 VanDerWaalsContact C-N 3.31Å; W640-F642 PolarHBondContact O-N 3.17Å; W640-R643 PolarHBondContact O-N 2.99Å; W640-I644 HydrophobicContact CB-CD1 4.44Å; W640-I644 WeakPolarHBondContact O-CB 3.31Å; W640-I644 WeakPolarHBondContact O-CD1 3.35Å; W640-I644 VanDerWaalsContact O-CG1 3.23Å; W640-I644 WeakPolarHBondContact O-CG1 3.33Å; W640-I644 PolarHBondContact O-N 3.12Å |
| 641 | N | 88 | Confident | 87.3 | Confident | 99 Ų | 99 | 56.9 Ų | 56.9 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 177.1 | -77.2 | -27.3 | 0 | 0 | 0 | 112.2 | V637 M645 | V637-N641 WeakPolarHBondContact CG1-ND2 3.32Å; V637-N641 WeakPolarHBondContact O-CB 3.34Å; V637-N641 PolarHBondContact O-N 2.93Å; V637-N641 VanDerWaalsContact O-N 3.15Å; V637-N641 PolarHBondContact O-ND2 3.24Å; N641-M645 VanDerWaalsContact O-CB 3.25Å; N641-M645 WeakPolarHBondContact O-CB 3.27Å; N641-M645 PolarHBondContact O-N 3.24Å |
| 642 | F | 87.1 | Confident | 87.5 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 176.4 | -179.2 | -114.5 | 0 | 0 | 0 | 112.3 | M550 M564 L638 W640 M645 A646 | M550-F642 HydrophobicContact SD-CZ 4.21Å; M564-F642 HydrophobicContact CB-CD1 4.46Å; M564-F642 HydrophobicContact CG-CB 4.29Å; M564-F642 HydrophobicContact CG-CG 4.44Å; M564-F642 HydrophobicContact SD-CD2 4.3Å; M564-F642 HydrophobicContact SD-CG 4.49Å; L638-F642 WeakPolarHBondContact O-CB 3.41Å; L638-F642 PolarHBondContact O-N 3.43Å; L638-F642 VanDerWaalsContact O-N 3.09Å; W640-F642 VanDerWaalsContact C-N 3.31Å; W640-F642 PolarHBondContact O-N 3.17Å; F642-M645 HydrophobicContact CD2-CE 3.76Å; F642-M645 HydrophobicContact CE2-CE 3.95Å; F642-M645 PolarHBondContact O-N 3.19Å; F642-A646 WeakPolarHBondContact O-CB 3.5Å; F642-A646 PolarHBondContact O-N 2.92Å |
| 643 | R | 87.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 12% | 0.117 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 178.3 | -77.3 | 165.3 | -176.1 | 66.8 | 9.4 | 112.6 | M564 E565 T578 L579 F639 W640 A646 G647 | M564-R643 PolarHBondContact O-NH1 3.36Å; E565-R643 IonicContact OE2-NH2 2.63Å; E565-R643 PolarHBondContact OE2-NH2 3.45Å; T578-R643 PolarHBondContact O-NE 3.49Å; T578-R643 VanDerWaalsContact O-NE 3.15Å; T578-R643 PolarHBondContact O-NH2 3.05Å; L579-R643 WeakPolarHBondContact O-CD 3.35Å; L579-R643 PolarHBondContact O-NE 2.64Å; F639-R643 VanDerWaalsContact CD2-NH1 3.33Å; F639-R643 VanDerWaalsContact CE1-CD 3.46Å; F639-R643 PolarHBondContact O-N 3.22Å; F639-R643 PolarHBondContact O-NH1 2.97Å; W640-R643 PolarHBondContact O-N 2.99Å; R643-A646 PolarHBondContact O-N 3.06Å; R643-G647 PolarHBondContact O-N 2.99Å |
| 644 | I | 86.7 | Confident | 87.8 | Confident | 84 Ų | 84 | 58.3 Ų | 58.3 | 43% | 0.431 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 175 | -69.7 | 166.2 | 0 | 0 | 0 | 110.3 | W640 G647 F648 | W640-I644 HydrophobicContact CB-CD1 4.44Å; W640-I644 WeakPolarHBondContact O-CB 3.31Å; W640-I644 WeakPolarHBondContact O-CD1 3.35Å; W640-I644 VanDerWaalsContact O-CG1 3.23Å; W640-I644 WeakPolarHBondContact O-CG1 3.33Å; W640-I644 PolarHBondContact O-N 3.12Å; I644-G647 PolarHBondContact O-N 2.94Å; I644-F648 HydrophobicContact CG2-CD2 3.67Å; I644-F648 HydrophobicContact CG2-CE2 3.71Å; I644-F648 WeakPolarHBondContact O-CD2 3.24Å; I644-F648 PolarHBondContact O-N 3Å |
| 645 | M | 88.5 | Confident | 88 | Confident | 95 Ų | 95 | 57.7 Ų | 57.7 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 176.1 | -178.8 | -167.2 | 75.5 | 0 | 0 | 112.1 | N641 F642 G647 F648 G649 | N641-M645 VanDerWaalsContact O-CB 3.25Å; N641-M645 WeakPolarHBondContact O-CB 3.27Å; N641-M645 PolarHBondContact O-N 3.24Å; F642-M645 HydrophobicContact CD2-CE 3.76Å; F642-M645 HydrophobicContact CE2-CE 3.95Å; F642-M645 PolarHBondContact O-N 3.19Å; M645-G647 PolarHBondContact O-N 2.93Å; M645-F648 PolarHBondContact O-N 3.16Å; M645-G649 PolarHBondContact O-N 3.18Å |
| 646 | A | 85.1 | Confident | 88 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F642 R643 G649 M650 | F642-A646 WeakPolarHBondContact O-CB 3.5Å; F642-A646 PolarHBondContact O-N 2.92Å; R643-A646 PolarHBondContact O-N 3.06Å; A646-G649 PolarHBondContact O-N 3.25Å; A646-M650 PolarHBondContact O-N 3.08Å |
| 647 | G | 86.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R643 I644 M645 M650 L651 | R643-G647 PolarHBondContact O-N 2.99Å; I644-G647 PolarHBondContact O-N 2.94Å; M645-G647 PolarHBondContact O-N 2.93Å; G647-M650 PolarHBondContact O-N 2.9Å; G647-L651 WeakPolarHBondContact O-CB 3.35Å; G647-L651 PolarHBondContact O-N 3.18Å |
| 648 | F | 88.2 | Confident | 87.9 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 52% | 0.522 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.2 | -86.5 | -65 | 0 | 0 | 0 | 112.7 | I644 M645 L651 M652 | I644-F648 HydrophobicContact CG2-CD2 3.67Å; I644-F648 HydrophobicContact CG2-CE2 3.71Å; I644-F648 WeakPolarHBondContact O-CD2 3.24Å; I644-F648 PolarHBondContact O-N 3Å; M645-F648 PolarHBondContact O-N 3.16Å; F648-L651 HydrophobicContact CD1-CD2 4.2Å; F648-L651 HydrophobicContact CE1-CD2 4.36Å; F648-L651 PolarHBondContact O-N 2.73Å; F648-M652 WeakPolarHBondContact O-CG 3.46Å; F648-M652 PolarHBondContact O-N 2.75Å |
| 649 | G | 86.1 | Confident | 87.7 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M645 A646 M652 L653 | M645-G649 PolarHBondContact O-N 3.18Å; A646-G649 PolarHBondContact O-N 3.25Å; G649-M652 PolarHBondContact O-N 2.83Å; G649-L653 PolarHBondContact O-N 3.49Å; G649-L653 VanDerWaalsContact O-N 3.1Å |
| 650 | M | 87.6 | Confident | 87.3 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 175.4 | -171.1 | 61.1 | -178 | 0 | 0 | 112.2 | A646 G647 L653 L654 | A646-M650 PolarHBondContact O-N 3.08Å; G647-M650 PolarHBondContact O-N 2.9Å; M650-L653 PolarHBondContact O-N 3.45Å; M650-L653 HydrophobicContact SD-CD2 4.14Å; M650-L654 HydrophobicContact CE-CG 4.4Å; M650-L654 HydrophobicContact CG-CD1 4.34Å; M650-L654 WeakPolarHBondContact O-CG 3.43Å; M650-L654 PolarHBondContact O-N 2.83Å |
| 651 | L | 89.4 | Confident | 86.8 | Confident | 90 Ų | 90 | 64 Ų | 64 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 174.4 | -178 | 62.5 | 0 | 0 | 0 | 111.9 | G647 F648 L654 V655 | G647-L651 WeakPolarHBondContact O-CB 3.35Å; G647-L651 PolarHBondContact O-N 3.18Å; F648-L651 HydrophobicContact CD1-CD2 4.2Å; F648-L651 HydrophobicContact CE1-CD2 4.36Å; F648-L651 PolarHBondContact O-N 2.73Å; L651-L654 PolarHBondContact O-N 2.75Å; L651-V655 HydrophobicContact CD1-CG2 4.34Å; L651-V655 WeakPolarHBondContact O-CG2 3.47Å; L651-V655 PolarHBondContact O-N 2.8Å |
| 652 | M | 89.9 | Confident | 86.1 | Confident | 56 Ų | 56 | 66 Ų | 66 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.8 | -71.1 | -178 | -167.3 | 0 | 0 | 111.8 | T498 M502 T535 F648 G649 V655 A656 | T498-M652 HydrophobicContact CG2-CB 4.41Å; T498-M652 HydrophobicContact CG2-SD 3.95Å; M502-M652 HydrophobicContact CE-CG 4.24Å; M502-M652 HydrophobicContact CG-CG 4.2Å; M502-M652 HydrophobicContact CG-SD 4.22Å; M502-M652 HydrophobicContact SD-CG 4.37Å; T535-M652 HydrophobicContact CG2-CB 4.4Å; F648-M652 WeakPolarHBondContact O-CG 3.46Å; F648-M652 PolarHBondContact O-N 2.75Å; G649-M652 PolarHBondContact O-N 2.83Å; M652-V655 PolarHBondContact O-N 2.75Å; M652-A656 WeakPolarHBondContact O-CB 3.32Å; M652-A656 PolarHBondContact O-N 2.73Å |
| 653 | L | 90.2 | Very high | 85.4 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.141 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 172.7 | 179.9 | 63.3 | 0 | 0 | 0 | 111.6 | L536 I540 L543 G649 M650 A656 V657 | L536-L653 HydrophobicContact CD1-CD1 3.67Å; I540-L653 HydrophobicContact CG1-CD1 4.26Å; L543-L653 HydrophobicContact CD1-CD2 3.8Å; G649-L653 PolarHBondContact O-N 3.49Å; G649-L653 VanDerWaalsContact O-N 3.1Å; M650-L653 PolarHBondContact O-N 3.45Å; M650-L653 HydrophobicContact SD-CD2 4.14Å; L653-A656 PolarHBondContact O-N 2.87Å; L653-V657 HydrophobicContact CD1-CG2 4.4Å; L653-V657 WeakPolarHBondContact O-CG2 3.32Å; L653-V657 PolarHBondContact O-N 3.11Å |
| 654 | L | 89.5 | Confident | 83.7 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 42% | 0.424 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 178 | -73.9 | 168.6 | 0 | 0 | 0 | 111.9 | M650 L651 V657 L658 | M650-L654 HydrophobicContact CE-CG 4.4Å; M650-L654 HydrophobicContact CG-CD1 4.34Å; M650-L654 WeakPolarHBondContact O-CG 3.43Å; M650-L654 PolarHBondContact O-N 2.83Å; L651-L654 PolarHBondContact O-N 2.75Å; L654-V657 PolarHBondContact O-N 3.01Å; L654-L658 VanDerWaalsContact O-CB 3.26Å; L654-L658 WeakPolarHBondContact O-CB 3.5Å; L654-L658 VanDerWaalsContact O-CG 3.23Å; L654-L658 WeakPolarHBondContact O-CG 3.18Å; L654-L658 PolarHBondContact O-N 3.33Å |
| 655 | V | 89.1 | Confident | 81.2 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 34% | 0.339 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66 | -36.6 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | M502 L651 M652 G659 | M502-V655 HydrophobicContact CE-CB 4.26Å; M502-V655 HydrophobicContact CE-CG1 3.95Å; M502-V655 HydrophobicContact SD-CG1 4.37Å; L651-V655 HydrophobicContact CD1-CG2 4.34Å; L651-V655 WeakPolarHBondContact O-CG2 3.47Å; L651-V655 PolarHBondContact O-N 2.8Å; M652-V655 PolarHBondContact O-N 2.75Å; V655-G659 WeakPolarHBondContact O-CA 3.45Å; V655-G659 PolarHBondContact O-N 3.23Å |
| 656 | A | 87.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.8 | -49 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T535 L536 M652 L653 L660 | T535-A656 HydrophobicContact CG2-CB 3.93Å; L536-A656 HydrophobicContact CB-CB 4.05Å; M652-A656 WeakPolarHBondContact O-CB 3.32Å; M652-A656 PolarHBondContact O-N 2.73Å; L653-A656 PolarHBondContact O-N 2.87Å; A656-L660 WeakPolarHBondContact O-CB 3.16Å; A656-L660 VanDerWaalsContact O-CG 3.25Å; A656-L660 WeakPolarHBondContact O-CG 3.44Å; A656-L660 PolarHBondContact O-N 2.87Å |
| 657 | V | 86.9 | Confident | 75.4 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -51.4 | 178 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | L536 L653 L654 G659 L660 F661 | L536-V657 HydrophobicContact CD1-CG2 3.83Å; L653-V657 HydrophobicContact CD1-CG2 4.4Å; L653-V657 WeakPolarHBondContact O-CG2 3.32Å; L653-V657 PolarHBondContact O-N 3.11Å; L654-V657 PolarHBondContact O-N 3.01Å; V657-G659 PolarHBondContact O-N 3.06Å; V657-L660 PolarHBondContact O-N 3.45Å; V657-F661 WeakPolarHBondContact O-CB 3.31Å; V657-F661 PolarHBondContact O-N 3.15Å |
| 658 | L | 85.5 | Confident | 72.7 | Confident | 85 Ų | 85 | 84.8 Ų | 84.8 | 45% | 0.445 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | -179.3 | -68.3 | 172.7 | 0 | 0 | 0 | 111.8 | L654 F661 F662 | L654-L658 VanDerWaalsContact O-CB 3.26Å; L654-L658 WeakPolarHBondContact O-CB 3.5Å; L654-L658 VanDerWaalsContact O-CG 3.23Å; L654-L658 WeakPolarHBondContact O-CG 3.18Å; L654-L658 PolarHBondContact O-N 3.33Å; L658-F661 WeakPolarHBondContact O-CB 3.29Å; L658-F661 PolarHBondContact O-N 3.26Å; L658-F662 HydrophobicContact CB-CD2 4.14Å; L658-F662 HydrophobicContact CB-CE2 4.1Å; L658-F662 HydrophobicContact CD2-CE2 4.07Å; L658-F662 WeakPolarHBondContact O-CB 3.29Å; L658-F662 WeakPolarHBondContact O-CD2 3.11Å; L658-F662 PolarHBondContact O-N 3.48Å |
| 659 | G | 82.8 | Confident | 69.7 | Low | 17 Ų | 17 | 82.5 Ų | 82.5 | 18% | 0.175 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V655 V657 F661 T663 | V655-G659 WeakPolarHBondContact O-CA 3.45Å; V655-G659 PolarHBondContact O-N 3.23Å; V657-G659 PolarHBondContact O-N 3.06Å; G659-F661 VanDerWaalsContact C-N 3.28Å; G659-F661 PolarHBondContact O-N 3.42Å; G659-T663 WeakPolarHBondContact O-CB 3.38Å; G659-T663 WeakPolarHBondContact O-CG2 3.48Å; G659-T663 PolarHBondContact O-N 2.9Å; G659-T663 PolarHBondContact O-OG1 3.38Å |
| 660 | L | 81.9 | Confident | 67 | Low | 37 Ų | 37 | 87.7 Ų | 87.7 | 19% | 0.194 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -69.4 | -27.6 | 175.3 | -69 | 170.3 | 0 | 0 | 0 | 112.7 | L532 V533 L536 A656 V657 T663 | L532-L660 HydrophobicContact CB-CD1 4.42Å; L532-L660 HydrophobicContact CB-CD2 3.78Å; L532-L660 HydrophobicContact CB-CG 3.84Å; V533-L660 HydrophobicContact CG2-CD1 4.16Å; V533-L660 HydrophobicContact CG2-CD2 3.78Å; L536-L660 HydrophobicContact CB-CD1 4.22Å; L536-L660 HydrophobicContact CD2-CD1 3.74Å; A656-L660 WeakPolarHBondContact O-CB 3.16Å; A656-L660 VanDerWaalsContact O-CG 3.25Å; A656-L660 WeakPolarHBondContact O-CG 3.44Å; A656-L660 PolarHBondContact O-N 2.87Å; V657-L660 PolarHBondContact O-N 3.45Å; L660-T663 PolarHBondContact O-OG1 2.96Å |
| 661 | F | 78 | Confident | 63.9 | Low | 141 Ų | 141 | 86.7 Ų | 86.7 | 62% | 0.618 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.4 | -60.1 | 170.8 | -173 | -99.1 | 0 | 0 | 0 | 111.7 | V657 L658 G659 T663 Q664 | V657-F661 WeakPolarHBondContact O-CB 3.31Å; V657-F661 PolarHBondContact O-N 3.15Å; L658-F661 WeakPolarHBondContact O-CB 3.29Å; L658-F661 PolarHBondContact O-N 3.26Å; G659-F661 VanDerWaalsContact C-N 3.28Å; G659-F661 PolarHBondContact O-N 3.42Å; F661-T663 VanDerWaalsContact C-N 3.3Å; F661-T663 PolarHBondContact O-N 3.37Å; F661-Q664 WeakPolarHBondContact O-CB 3.48Å; F661-Q664 PolarHBondContact O-N 3.45Å |
| 662 | F | 73.4 | Confident | 61 | Low | 142 Ų | 142 | 91.5 Ų | 91.5 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.6 | -24.2 | -175.9 | -70.4 | -57.7 | 0 | 0 | 0 | 114.3 | L658 Q664 G665 | L658-F662 HydrophobicContact CB-CD2 4.14Å; L658-F662 HydrophobicContact CB-CE2 4.1Å; L658-F662 HydrophobicContact CD2-CE2 4.07Å; L658-F662 WeakPolarHBondContact O-CB 3.29Å; L658-F662 WeakPolarHBondContact O-CD2 3.11Å; L658-F662 PolarHBondContact O-N 3.48Å; F662-Q664 PolarHBondContact O-N 3.44Å; F662-Q664 VanDerWaalsContact O-N 3.07Å; F662-G665 PolarHBondContact O-N 3.18Å |
| 663 | T | 71.7 | Confident | 57.8 | Low | 12 Ų | 12 | 94 Ų | 94 | 7% | 0.074 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -3.6 | 171 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | M525 M528 R529 G659 L660 F661 G665 | M525-T663 HydrophobicContact CE-CG2 3.84Å; M525-T663 HydrophobicContact SD-CG2 4.44Å; M528-T663 HydrophobicContact CE-CG2 3.31Å; R529-T663 HydrophobicContact CG-CG2 4.37Å; R529-T663 PolarHBondContact NH2-O 3.03Å; G659-T663 WeakPolarHBondContact O-CB 3.38Å; G659-T663 WeakPolarHBondContact O-CG2 3.48Å; G659-T663 PolarHBondContact O-N 2.9Å; G659-T663 PolarHBondContact O-OG1 3.38Å; L660-T663 PolarHBondContact O-OG1 2.96Å; F661-T663 VanDerWaalsContact C-N 3.3Å; F661-T663 PolarHBondContact O-N 3.37Å; T663-G665 VanDerWaalsContact C-N 3.26Å; T663-G665 PolarHBondContact O-N 3.49Å |
| 664 | Q | 53.3 | Low | 54.8 | Low | 159 Ų | 159 | 99.1 Ų | 99.1 | 74% | 0.743 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 38.5 | 170.4 | -56 | -167.5 | 36.3 | 0 | 0 | 114 | F661 F662 | F661-Q664 WeakPolarHBondContact O-CB 3.48Å; F661-Q664 PolarHBondContact O-N 3.45Å; F662-Q664 PolarHBondContact O-N 3.44Å; F662-Q664 VanDerWaalsContact O-N 3.07Å |
| 665 | G | 33.2 | Very low | 51.7 | Low | 64 Ų | 64 | 103.8 Ų | 103.8 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79 | 70.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | F662 T663 | F662-G665 PolarHBondContact O-N 3.18Å; T663-G665 VanDerWaalsContact C-N 3.26Å; T663-G665 PolarHBondContact O-N 3.49Å |
| 666 | F | 27.4 | Very low | 48.7 | Very low | 192 Ų | 192 | 107.6 Ų | 107.6 | 84% | 0.842 | 61% | 0.607 | S | S | * | * | trans | -139.7 | 125.2 | 157.3 | -125.9 | -97.8 | 0 | 0 | 0 | 108.6 | ||||
| 667 | D | 25.7 | Very low | 45.9 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 64% | 0.642 | 65% | 0.645 | S | S | * | * | trans | -93.5 | 128.3 | 174.7 | -85.7 | -31.1 | 0 | 0 | 0 | 109 | R521 | R521-D667 IonicContact CZ-OD1 2.93Å; R521-D667 IonicContact NH1-OD2 3.24Å; R521-D667 IonicContact NH2-OD1 2.67Å; R521-D667 PolarHBondContact NH2-OD1 2.86Å; R521-D667 IonicContact NH2-OD2 2.81Å | ||
| 668 | F | 29.2 | Very low | 42.9 | Very low | 196 Ų | 196 | 115.7 Ų | 115.7 | 86% | 0.86 | 66% | 0.661 | S | S | * | * | trans | -150.3 | 141.9 | 160.5 | -128.3 | -84.3 | 0 | 0 | 0 | 108.9 | ||||
| 669 | G | 25.7 | Very low | 40.5 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | trans | -144 | 128.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 670 | V | 28.1 | Very low | 38.2 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 78% | 0.782 | 71% | 0.707 | S | S | * | * | trans | -142.4 | 137.6 | 170.1 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 671 | G | 24.3 | Very low | 36.3 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | trans | -111.6 | 155.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 672 | M | 27.5 | Very low | 34.5 | Very low | 192 Ų | 192 | 131.7 Ų | 131.7 | 95% | 0.946 | 73% | 0.733 | S | S | * | * | trans | -138.2 | 149.6 | 167.8 | -75.5 | -166.9 | -68.8 | 0 | 0 | 110.1 | ||||
| 673 | S | 23.8 | Very low | 33 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -121.5 | 134.2 | -177.9 | 53 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 674 | V | 25.6 | Very low | 31.5 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 31.6 | 123.4 | 139.8 | -168.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 675 | Q | 25 | Very low | 31 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | 177.4 | 157.9 | 127.7 | -100.6 | 172.3 | 7.1 | 0 | 0 | 112.5 | |||||
| 676 | T | 26.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | 101.9 | 133.7 | -178.8 | 62.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 677 | L | 27.5 | Very low | 32 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | cis | -133.7 | 164.8 | -4.5 | -74 | 99.8 | 0 | 0 | 0 | 111.7 | ||||
| 678 | A | 25.6 | Very low | 32.8 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | trans | -142 | 141.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 679 | H | 33.9 | Very low | 33.6 | Very low | 181 Ų | 181 | 130 Ų | 130 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | trans | -154 | 97.2 | -178.4 | -104.1 | 21.8 | 0 | 0 | 0 | 110 | ||||
| 680 | D | 35.8 | Very low | 34.4 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | -155 | 160.9 | 114 | -150 | -52.9 | 0 | 0 | 0 | 107.1 | H682 | D680-H682 PolarHBondContact OD1-N 2.89Š| |||
| 681 | E | 41.9 | Very low | 35.1 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 66% | 0.659 | 70% | 0.698 | S | S | * | * | trans | -122.1 | -15.6 | 179.2 | -161 | 148.9 | -131.9 | 0 | 0 | 111.7 | K684 | E681-K684 WeakPolarHBondContact O-CB 3.29Å; E681-K684 PolarHBondContact O-N 3.23Å | ||
| 682 | H | 39.4 | Very low | 35.8 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76.5 | -30 | -170.7 | -153.6 | -18.1 | 0 | 0 | 0 | 114.6 | D680 K684 | D680-H682 PolarHBondContact OD1-N 2.89Å; H682-K684 PolarHBondContact O-N 3.49Å |
| 683 | E | 42.6 | Very low | 36.7 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 70% | 0.696 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68 | -20.5 | 176.8 | -168.3 | 173.6 | -131.4 | 0 | 0 | 112.2 | I687 | E683-I687 HydrophobicContact CG-CD1 4.27Å; E683-I687 WeakPolarHBondContact O-CG1 3.23Å; E683-I687 PolarHBondContact O-N 3.33Å |
| 684 | K | 38.9 | Very low | 37.9 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 53% | 0.53 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.2 | -38 | -174.9 | -155.5 | 178.9 | -174.8 | -177.4 | 0 | 112.5 | E681 H682 I687 V688 | E681-K684 WeakPolarHBondContact O-CB 3.29Å; E681-K684 PolarHBondContact O-N 3.23Å; H682-K684 PolarHBondContact O-N 3.49Å; K684-I687 PolarHBondContact O-N 2.92Å; K684-V688 WeakPolarHBondContact O-CG2 3.27Å; K684-V688 PolarHBondContact O-N 3.23Å |
| 685 | D | 43.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.4 | -37.9 | -176.6 | -68.5 | -22 | 0 | 0 | 0 | 111.8 | I687 V688 E689 | D685-I687 VanDerWaalsContact C-N 3.34Å; D685-I687 PolarHBondContact O-N 3.45Å; D685-V688 PolarHBondContact O-N 3.46Å; D685-E689 PolarHBondContact O-N 3.31Å |
| 686 | Q | 43.2 | Very low | 40 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.8 | -37.6 | 172.9 | -74.7 | -168.8 | -28.6 | 0 | 0 | 112.4 | V688 T690 | Q686-V688 VanDerWaalsContact C-N 3.33Å; Q686-T690 WeakPolarHBondContact O-CB 3.28Å; Q686-T690 PolarHBondContact O-N 3.48Å; Q686-T690 PolarHBondContact O-OG1 2.95Å |
| 687 | I | 38.7 | Very low | 41.5 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 46% | 0.456 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.4 | -38.7 | 173.5 | -67.8 | 170.2 | 0 | 0 | 0 | 110.4 | E683 K684 D685 I691 | E683-I687 HydrophobicContact CG-CD1 4.27Å; E683-I687 WeakPolarHBondContact O-CG1 3.23Å; E683-I687 PolarHBondContact O-N 3.33Å; K684-I687 PolarHBondContact O-N 2.92Å; D685-I687 VanDerWaalsContact C-N 3.34Å; D685-I687 PolarHBondContact O-N 3.45Å; I687-I691 HydrophobicContact CG2-CD1 3.73Å; I687-I691 WeakPolarHBondContact O-CB 3.43Å; I687-I691 VanDerWaalsContact O-CG1 3.27Å; I687-I691 WeakPolarHBondContact O-CG1 3.35Å; I687-I691 PolarHBondContact O-N 3.22Å; I687-I691 VanDerWaalsContact O-N 3.14Å |
| 688 | V | 42.2 | Very low | 43.1 | Very low | 89 Ų | 89 | 111.9 Ų | 111.9 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.3 | -43.3 | 177.2 | 168.7 | 0 | 0 | 0 | 0 | 112.1 | K684 D685 Q686 T690 I691 G692 | K684-V688 WeakPolarHBondContact O-CG2 3.27Å; K684-V688 PolarHBondContact O-N 3.23Å; D685-V688 PolarHBondContact O-N 3.46Å; Q686-V688 VanDerWaalsContact C-N 3.33Å; V688-T690 VanDerWaalsContact C-N 3.33Å; V688-T690 PolarHBondContact O-N 2.89Å; V688-I691 PolarHBondContact O-N 3.2Å; V688-G692 WeakPolarHBondContact O-CA 3.47Å; V688-G692 PolarHBondContact O-N 2.91Å |
| 689 | E | 46.1 | Very low | 44.9 | Very low | 156 Ų | 156 | 114.2 Ų | 114.2 | 73% | 0.729 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -39.3 | 174.9 | -74 | -170 | 136.8 | 0 | 0 | 111.9 | D685 I691 | D685-E689 PolarHBondContact O-N 3.31Å; E689-I691 VanDerWaalsContact C-N 3.27Å; E689-I691 PolarHBondContact O-N 2.96Å |
| 690 | T | 42.5 | Very low | 46.5 | Very low | 112 Ų | 112 | 110.1 Ų | 110.1 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.1 | -26.5 | 177.5 | -52 | 0 | 0 | 0 | 0 | 112.8 | Q686 V688 | Q686-T690 WeakPolarHBondContact O-CB 3.28Å; Q686-T690 PolarHBondContact O-N 3.48Å; Q686-T690 PolarHBondContact O-OG1 2.95Å; V688-T690 VanDerWaalsContact C-N 3.33Å; V688-T690 PolarHBondContact O-N 2.89Å |
| 691 | I | 43.6 | Very low | 48.2 | Very low | 74 Ų | 74 | 107.4 Ų | 107.4 | 38% | 0.379 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -102.1 | -20.4 | -176.3 | -68.6 | 174.9 | 0 | 0 | 0 | 112.4 | I687 V688 E689 V694 | I687-I691 HydrophobicContact CG2-CD1 3.73Å; I687-I691 WeakPolarHBondContact O-CB 3.43Å; I687-I691 VanDerWaalsContact O-CG1 3.27Å; I687-I691 WeakPolarHBondContact O-CG1 3.35Å; I687-I691 PolarHBondContact O-N 3.22Å; I687-I691 VanDerWaalsContact O-N 3.14Å; V688-I691 PolarHBondContact O-N 3.2Å; E689-I691 VanDerWaalsContact C-N 3.27Å; E689-I691 PolarHBondContact O-N 2.96Å; I691-V694 WeakPolarHBondContact O-CB 3.26Å; I691-V694 PolarHBondContact O-N 3.01Å |
| 692 | G | 38.8 | Very low | 49.5 | Very low | 31 Ų | 31 | 103.1 Ų | 103.1 | 32% | 0.32 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -47.6 | -49.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V688 V694 W695 | V688-G692 WeakPolarHBondContact O-CA 3.47Å; V688-G692 PolarHBondContact O-N 2.91Å; G692-V694 PolarHBondContact O-N 3.32Å; G692-W695 PolarHBondContact O-N 3.49Å |
| 693 | P | 46.9 | Very low | 51.1 | Low | 110 Ų | 110 | 102 Ų | 102 | 71% | 0.714 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -59.7 | -17.2 | 179.1 | -25.9 | 35.7 | 0 | 0 | 0 | 115.1 | ||
| 694 | V | 48.1 | Very low | 52.8 | Low | 54 Ų | 54 | 98.2 Ų | 98.2 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -84 | -18 | 178.8 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | I691 G692 N698 | I691-V694 WeakPolarHBondContact O-CB 3.26Å; I691-V694 PolarHBondContact O-N 3.01Å; G692-V694 PolarHBondContact O-N 3.32Å; V694-N698 PolarHBondContact O-ND2 2.89Å |
| 695 | W | 50.2 | Low | 54.6 | Low | 172 Ų | 172 | 92.6 Ų | 92.6 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -33.9 | -172.4 | -78.6 | 58.6 | 0 | 0 | 0 | 114.1 | G692 G697 N698 | G692-W695 PolarHBondContact O-N 3.49Å; W695-G697 PolarHBondContact O-N 2.92Å; W695-N698 PolarHBondContact O-N 3.31Å |
| 696 | D | 45.6 | Very low | 56.4 | Low | 152 Ų | 152 | 88.1 Ų | 88.1 | 81% | 0.813 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 119.1 | -178.5 | -104.1 | -31.8 | 0 | 0 | 0 | 111.5 | ||
| 697 | G | 56.5 | Low | 58.5 | Low | 71 Ų | 71 | 82.9 Ų | 82.9 | 73% | 0.732 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -13.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | W695 | W695-G697 PolarHBondContact O-N 2.92Š|
| 698 | N | 60.9 | Low | 60.8 | Low | 15 Ų | 15 | 79.3 Ų | 79.3 | 8% | 0.08 | 45% | 0.45 | C | S | . | . | trans | -97.9 | 6 | -165.4 | -67.7 | -36.3 | 0 | 0 | 0 | 116 | V694 W695 V700 W701 L702 Y767 | V694-N698 PolarHBondContact O-ND2 2.89Å; W695-N698 PolarHBondContact O-N 3.31Å; N698-V700 VanDerWaalsContact C-N 3.29Å; N698-V700 PolarHBondContact O-N 3.38Å; N698-V700 VanDerWaalsContact O-N 3.17Å; N698-W701 PolarHBondContact O-N 2.97Å; N698-W701 VanDerWaalsContact O-N 3.11Å; N698-L702 PolarHBondContact O-N 3.45Å; N698-Y767 PolarHBondContact ND2-OH 3.06Å; N698-Y767 WeakPolarHBondContact OD1-CE2 3.09Å | ||
| 699 | E | 63.1 | Low | 63 | Low | 144 Ų | 144 | 75.1 Ų | 75.1 | 67% | 0.673 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -51.5 | -41.8 | -176 | -61.6 | -170.5 | 155.1 | 0 | 0 | 114.1 | W701 L702 L703 | E699-W701 VanDerWaalsContact C-N 3.33Å; E699-W701 PolarHBondContact O-N 2.95Å; E699-L702 PolarHBondContact O-N 2.9Å; E699-L703 WeakPolarHBondContact O-CB 3.41Å; E699-L703 VanDerWaalsContact O-CG 3.26Å; E699-L703 WeakPolarHBondContact O-CG 3.34Å; E699-L703 PolarHBondContact O-N 2.98Å |
| 700 | V | 69.2 | Low | 65.2 | Low | 95 Ų | 95 | 71.4 Ų | 71.4 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.4 | -36.7 | -176.8 | -179 | 0 | 0 | 0 | 0 | 111.6 | N698 T704 | N698-V700 VanDerWaalsContact C-N 3.29Å; N698-V700 PolarHBondContact O-N 3.38Å; N698-V700 VanDerWaalsContact O-N 3.17Å; V700-T704 WeakPolarHBondContact O-CB 3.21Å; V700-T704 WeakPolarHBondContact O-CG2 3.34Å; V700-T704 PolarHBondContact O-N 3.35Å; V700-T704 PolarHBondContact O-OG1 3.49Å |
| 701 | W | 70.4 | Confident | 67.6 | Low | 84 Ų | 84 | 69.8 Ų | 69.8 | 32% | 0.318 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.9 | -39.8 | 178 | -59.2 | 127.1 | 0 | 0 | 0 | 111.5 | N698 E699 T704 A705 V763 Y767 | N698-W701 PolarHBondContact O-N 2.97Å; N698-W701 VanDerWaalsContact O-N 3.11Å; E699-W701 VanDerWaalsContact C-N 3.33Å; E699-W701 PolarHBondContact O-N 2.95Å; W701-T704 WeakPolarHBondContact CA-OG1 3.23Å; W701-T704 PolarHBondContact O-N 3.05Å; W701-T704 PolarHBondContact O-OG1 3.12Å; W701-T704 VanDerWaalsContact O-OG1 3.13Å; W701-A705 WeakPolarHBondContact O-CB 3.37Å; W701-A705 PolarHBondContact O-N 2.87Å; W701-V763 HydrophobicContact CE3-CG1 3.52Å; W701-V763 HydrophobicContact CZ3-CG1 3.62Å; W701-V763 HydrophobicContact CZ3-CG2 4.45Å; W701-Y767 HydrophobicContact CB-CD2 4.42Å; W701-Y767 AromaticContact CD1-CD2 3.37Å; W701-Y767 AromaticContact CD1-CE2 3.84Å; W701-Y767 AromaticContact CG-CD2 3.91Å; W701-Y767 HydrophobicContact CG-CD2 3.91Å; W701-Y767 HydrophobicContact CG-CG 4.46Å; W701-Y767 AromaticContact NE1-CD2 3.73Å |
| 702 | L | 68.8 | Low | 69.9 | Low | 52 Ų | 52 | 66.9 Ų | 66.9 | 27% | 0.272 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 173.7 | -66 | 172.9 | 0 | 0 | 0 | 112.1 | N698 E699 G706 L818 | N698-L702 PolarHBondContact O-N 3.45Å; E699-L702 PolarHBondContact O-N 2.9Å; L702-G706 PolarHBondContact O-N 3.26Å; L702-L818 HydrophobicContact CD2-CD2 4.18Å |
| 703 | L | 74 | Confident | 72.5 | Confident | 128 Ų | 128 | 65.4 Ų | 65.4 | 67% | 0.67 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 176.8 | -74.5 | 169.3 | 0 | 0 | 0 | 112.6 | E699 G707 | E699-L703 WeakPolarHBondContact O-CB 3.41Å; E699-L703 VanDerWaalsContact O-CG 3.26Å; E699-L703 WeakPolarHBondContact O-CG 3.34Å; E699-L703 PolarHBondContact O-N 2.98Å; L703-G707 PolarHBondContact O-N 3.4Å |
| 704 | T | 77.2 | Confident | 74.8 | Confident | 68 Ų | 68 | 64.4 Ų | 64.4 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.7 | -41.4 | 177.6 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | V700 W701 S708 | V700-T704 WeakPolarHBondContact O-CB 3.21Å; V700-T704 WeakPolarHBondContact O-CG2 3.34Å; V700-T704 PolarHBondContact O-N 3.35Å; V700-T704 PolarHBondContact O-OG1 3.49Å; W701-T704 WeakPolarHBondContact CA-OG1 3.23Å; W701-T704 PolarHBondContact O-N 3.05Å; W701-T704 PolarHBondContact O-OG1 3.12Å; W701-T704 VanDerWaalsContact O-OG1 3.13Å; T704-S708 WeakPolarHBondContact O-CB 3.5Å; T704-S708 PolarHBondContact O-N 3.09Å |
| 705 | A | 77.4 | Confident | 77 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W701 S708 A709 L822 | W701-A705 WeakPolarHBondContact O-CB 3.37Å; W701-A705 PolarHBondContact O-N 2.87Å; A705-S708 WeakPolarHBondContact O-CB 3.17Å; A705-S708 PolarHBondContact O-N 2.9Å; A705-S708 PolarHBondContact O-OG 3.26Å; A705-A709 PolarHBondContact O-N 3.48Å; A705-L822 HydrophobicContact CB-CD1 3.5Å |
| 706 | G | 82.1 | Confident | 79.1 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L702 S708 A709 I710 | L702-G706 PolarHBondContact O-N 3.26Å; G706-S708 VanDerWaalsContact C-N 3.32Å; G706-S708 PolarHBondContact O-N 2.96Å; G706-A709 PolarHBondContact O-N 3.42Å; G706-I710 WeakPolarHBondContact O-CG1 3.48Å; G706-I710 PolarHBondContact O-N 3.12Å; G706-I710 VanDerWaalsContact O-N 3.11Å |
| 707 | G | 86.6 | Confident | 81.4 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L703 A709 I710 L711 | L703-G707 PolarHBondContact O-N 3.4Å; G707-A709 VanDerWaalsContact C-N 3.34Å; G707-A709 PolarHBondContact O-N 2.85Å; G707-I710 PolarHBondContact O-N 2.96Å; G707-L711 WeakPolarHBondContact O-CG 3.48Å; G707-L711 PolarHBondContact O-N 3.41Å |
| 708 | S | 87 | Confident | 83.2 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 175.3 | 81.9 | 0 | 0 | 0 | 0 | 112.6 | T704 A705 G706 L711 Q712 | T704-S708 WeakPolarHBondContact O-CB 3.5Å; T704-S708 PolarHBondContact O-N 3.09Å; A705-S708 WeakPolarHBondContact O-CB 3.17Å; A705-S708 PolarHBondContact O-N 2.9Å; A705-S708 PolarHBondContact O-OG 3.26Å; G706-S708 VanDerWaalsContact C-N 3.32Å; G706-S708 PolarHBondContact O-N 2.96Å; S708-L711 PolarHBondContact O-N 2.83Å; S708-Q712 VanDerWaalsContact O-CB 3.3Å; S708-Q712 WeakPolarHBondContact O-CB 3.41Å; S708-Q712 PolarHBondContact O-N 3.44Å |
| 709 | A | 87.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A705 G706 G707 Q712 A713 I826 I827 | A705-A709 PolarHBondContact O-N 3.48Å; G706-A709 PolarHBondContact O-N 3.42Å; G707-A709 VanDerWaalsContact C-N 3.34Å; G707-A709 PolarHBondContact O-N 2.85Å; A709-Q712 PolarHBondContact O-N 2.85Å; A709-A713 PolarHBondContact O-N 3.34Å; A709-I826 HydrophobicContact CB-CB 4.17Å; A709-I826 HydrophobicContact CB-CD1 4.04Å; A709-I826 HydrophobicContact CB-CG2 4.06Å; A709-I827 HydrophobicContact CB-CG1 4.31Å |
| 710 | I | 92.2 | Very high | 86.2 | Confident | 78 Ų | 78 | 40.2 Ų | 40.2 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -47.7 | 173.2 | -63.7 | 170.6 | 0 | 0 | 0 | 110.4 | G706 G707 A713 I714 I826 I830 | G706-I710 WeakPolarHBondContact O-CG1 3.48Å; G706-I710 PolarHBondContact O-N 3.12Å; G706-I710 VanDerWaalsContact O-N 3.11Å; G707-I710 PolarHBondContact O-N 2.96Å; I710-A713 PolarHBondContact O-N 3.38Å; I710-I714 HydrophobicContact CG2-CD1 4.01Å; I710-I714 WeakPolarHBondContact O-CG1 3.36Å; I710-I714 PolarHBondContact O-N 3.21Å; I710-I826 HydrophobicContact CG1-CG2 3.71Å; I710-I830 HydrophobicContact CB-CD1 4.34Å; I710-I830 HydrophobicContact CG1-CD1 4.13Å; I710-I830 HydrophobicContact CG2-CD1 4.2Å |
| 711 | L | 93.2 | Very high | 87.4 | Confident | 78 Ų | 78 | 39.3 Ų | 39.3 | 41% | 0.408 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 176.6 | -71.8 | 173.2 | 0 | 0 | 0 | 111.9 | G707 S708 A713 I714 F715 M756 | G707-L711 WeakPolarHBondContact O-CG 3.48Å; G707-L711 PolarHBondContact O-N 3.41Å; S708-L711 PolarHBondContact O-N 2.83Å; L711-A713 VanDerWaalsContact C-N 3.34Å; L711-A713 PolarHBondContact O-N 3.19Å; L711-I714 PolarHBondContact O-N 3.23Å; L711-F715 HydrophobicContact CB-CD2 4.43Å; L711-F715 HydrophobicContact CB-CE2 4.01Å; L711-F715 WeakPolarHBondContact O-CD2 3.4Å; L711-F715 WeakPolarHBondContact O-CG 3.49Å; L711-F715 PolarHBondContact O-N 3.37Å; L711-M756 HydrophobicContact CB-CG 4.18Å; L711-M756 HydrophobicContact CB-SD 4.1Å; L711-M756 HydrophobicContact CD1-SD 3.97Å |
| 712 | Q | 92.3 | Very high | 88.5 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 175.5 | -171.1 | -173.3 | -34.9 | 0 | 0 | 111.1 | S708 A709 I714 F715 I716 R753 I827 | S708-Q712 VanDerWaalsContact O-CB 3.3Å; S708-Q712 WeakPolarHBondContact O-CB 3.41Å; S708-Q712 PolarHBondContact O-N 3.44Å; A709-Q712 PolarHBondContact O-N 2.85Å; Q712-I714 PolarHBondContact O-N 2.93Å; Q712-F715 PolarHBondContact O-N 3.28Å; Q712-I716 HydrophobicContact CG-CD1 4.03Å; Q712-I716 VanDerWaalsContact O-CG1 3.27Å; Q712-I716 WeakPolarHBondContact O-CG1 3.43Å; Q712-I716 PolarHBondContact O-N 3.4Å; Q712-R753 HydrophobicContact CG-CG 3.92Å; Q712-I827 HydrophobicContact CB-CD1 4.41Å; Q712-I827 HydrophobicContact CG-CD1 4.32Å |
| 713 | A | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A709 I710 L711 F715 I716 I717 I827 I830 | A709-A713 PolarHBondContact O-N 3.34Å; I710-A713 PolarHBondContact O-N 3.38Å; L711-A713 VanDerWaalsContact C-N 3.34Å; L711-A713 PolarHBondContact O-N 3.19Å; A713-F715 VanDerWaalsContact C-N 3.33Å; A713-F715 PolarHBondContact O-N 3.12Å; A713-I716 PolarHBondContact O-N 3.03Å; A713-I717 WeakPolarHBondContact O-CG1 3.46Å; A713-I717 PolarHBondContact O-N 3.36Å; A713-I827 HydrophobicContact CB-CG1 4.33Å; A713-I827 HydrophobicContact CB-CG2 4.28Å; A713-I830 HydrophobicContact CB-CB 3.83Å; A713-I830 HydrophobicContact CB-CD1 4Å; A713-I830 HydrophobicContact CB-CG2 3.63Å |
| 714 | I | 95 | Very high | 90.4 | Very high | 89 Ų | 89 | 26.8 Ų | 26.8 | 46% | 0.456 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 174.2 | -68.1 | 165.6 | 0 | 0 | 0 | 110.9 | I710 L711 Q712 I717 G718 | I710-I714 HydrophobicContact CG2-CD1 4.01Å; I710-I714 WeakPolarHBondContact O-CG1 3.36Å; I710-I714 PolarHBondContact O-N 3.21Å; L711-I714 PolarHBondContact O-N 3.23Å; Q712-I714 PolarHBondContact O-N 2.93Å; I714-I717 PolarHBondContact O-N 3.11Å; I714-G718 PolarHBondContact O-N 2.85Å |
| 715 | F | 95.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 26.6 Ų | 26.6 | 16% | 0.162 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.8 | -32.5 | 176.7 | -64.9 | -44.4 | 0 | 0 | 0 | 113.3 | L711 Q712 A713 G718 Q719 S749 L752 R753 M756 | L711-F715 HydrophobicContact CB-CD2 4.43Å; L711-F715 HydrophobicContact CB-CE2 4.01Å; L711-F715 WeakPolarHBondContact O-CD2 3.4Å; L711-F715 WeakPolarHBondContact O-CG 3.49Å; L711-F715 PolarHBondContact O-N 3.37Å; Q712-F715 PolarHBondContact O-N 3.28Å; A713-F715 VanDerWaalsContact C-N 3.33Å; A713-F715 PolarHBondContact O-N 3.12Å; F715-G718 PolarHBondContact O-N 2.92Å; F715-Q719 PolarHBondContact O-N 2.88Å; F715-S749 WeakPolarHBondContact CB-O 3.36Å; F715-S749 WeakPolarHBondContact O-CB 3.17Å; F715-L752 HydrophobicContact CD1-CB 3.85Å; F715-L752 HydrophobicContact CD1-CD1 4.18Å; F715-L752 HydrophobicContact CD2-CB 3.83Å; F715-L752 HydrophobicContact CE1-CB 3.78Å; F715-L752 HydrophobicContact CE1-CD1 3.51Å; F715-L752 HydrophobicContact CE1-CG 4.28Å; F715-L752 HydrophobicContact CE2-CB 3.76Å; F715-L752 HydrophobicContact CG-CB 3.91Å; F715-L752 HydrophobicContact CZ-CB 3.75Å; F715-L752 HydrophobicContact CZ-CD1 3.78Å; F715-L752 HydrophobicContact CZ-CG 4.28Å; F715-R753 HydrophobicContact CB-CB 3.95Å; F715-M756 HydrophobicContact CD2-CG 3.82Å; F715-M756 HydrophobicContact CE2-CE 4.4Å; F715-M756 HydrophobicContact CE2-CG 3.7Å; F715-M756 HydrophobicContact CE2-SD 4.14Å |
| 716 | I | 93.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 171 | -70.7 | 165.3 | 0 | 0 | 0 | 110.6 | Q712 A713 Q719 A720 R753 I827 L831 L965 E968 | Q712-I716 HydrophobicContact CG-CD1 4.03Å; Q712-I716 VanDerWaalsContact O-CG1 3.27Å; Q712-I716 WeakPolarHBondContact O-CG1 3.43Å; Q712-I716 PolarHBondContact O-N 3.4Å; A713-I716 PolarHBondContact O-N 3.03Å; I716-Q719 WeakPolarHBondContact O-CG 3.44Å; I716-A720 PolarHBondContact O-N 3.15Å; I716-R753 HydrophobicContact CG1-CG 4.19Å; I716-I827 HydrophobicContact CD1-CG2 4.15Å; I716-L831 HydrophobicContact CB-CD2 4.11Å; I716-L831 HydrophobicContact CG2-CD1 3.91Å; I716-L831 HydrophobicContact CG2-CD2 3.71Å; I716-L831 HydrophobicContact CG2-CG 4.48Å; I716-L965 HydrophobicContact CG2-CD2 3.75Å; I716-E968 HydrophobicContact CG2-CB 3.8Å; I716-E968 HydrophobicContact CG2-CG 3.9Å |
| 717 | I | 94.8 | Very high | 92 | Very high | 44 Ų | 44 | 26.2 Ų | 26.2 | 23% | 0.226 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 173 | -64.4 | 159.9 | 0 | 0 | 0 | 110.6 | A713 I714 A720 Y721 I830 L831 A834 | A713-I717 WeakPolarHBondContact O-CG1 3.46Å; A713-I717 PolarHBondContact O-N 3.36Å; I714-I717 PolarHBondContact O-N 3.11Å; I717-A720 PolarHBondContact O-N 2.8Å; I717-Y721 VanDerWaalsContact O-CB 3.24Å; I717-Y721 WeakPolarHBondContact O-CB 3.46Å; I717-Y721 PolarHBondContact O-N 2.88Å; I717-I830 HydrophobicContact CD1-CG2 3.89Å; I717-L831 HydrophobicContact CD1-CD2 4.12Å; I717-L831 HydrophobicContact CG1-CD2 3.66Å; I717-A834 HydrophobicContact CD1-CB 3.56Å; I717-A834 HydrophobicContact CG1-CB 3.82Å |
| 718 | G | 94 | Very high | 92.1 | Very high | 13 Ų | 13 | 25.3 Ų | 25.3 | 13% | 0.134 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I714 F715 G722 | I714-G718 PolarHBondContact O-N 2.85Å; F715-G718 PolarHBondContact O-N 2.92Å; G718-G722 PolarHBondContact O-N 2.77Å |
| 719 | Q | 94 | Very high | 92.2 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 177.3 | 67 | 173.6 | 51.2 | 0 | 0 | 111.2 | F715 I716 G722 L723 F746 S749 F750 E968 | F715-Q719 PolarHBondContact O-N 2.88Å; I716-Q719 WeakPolarHBondContact O-CG 3.44Å; Q719-G722 PolarHBondContact O-N 3.35Å; Q719-L723 VanDerWaalsContact O-CB 3.3Å; Q719-L723 WeakPolarHBondContact O-CB 3.46Å; Q719-L723 PolarHBondContact O-N 3.27Å; Q719-F746 HydrophobicContact CB-CD2 3.9Å; Q719-F746 HydrophobicContact CB-CE2 4.21Å; Q719-S749 VanDerWaalsContact N-CB 3.29Å; Q719-F750 HydrophobicContact CB-CB 4.24Å; Q719-E968 PolarHBondContact NE2-OE1 2.88Å; Q719-E968 VanDerWaalsContact NE2-OE1 3.14Å |
| 720 | A | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -45.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I716 I717 S724 T961 I964 L965 | I716-A720 PolarHBondContact O-N 3.15Å; I717-A720 PolarHBondContact O-N 2.8Å; A720-S724 WeakPolarHBondContact O-CB 3.44Å; A720-S724 PolarHBondContact O-N 3.03Å; A720-S724 PolarHBondContact O-OG 3.05Å; A720-T961 HydrophobicContact CB-CG2 4.11Å; A720-I964 HydrophobicContact CB-CB 4.2Å; A720-I964 HydrophobicContact CB-CG2 3.76Å; A720-L965 HydrophobicContact CB-CD1 4.47Å; A720-L965 HydrophobicContact CB-CD2 3.56Å; A720-L965 HydrophobicContact CB-CG 3.75Å |
| 721 | Y | 94.4 | Very high | 91.4 | Very high | 76 Ų | 76 | 28.6 Ų | 28.6 | 30% | 0.298 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -60.4 | -50 | 176.4 | -168.9 | -70.8 | 0 | 0 | 0 | 111.2 | I717 R725 W742 L745 F957 | I717-Y721 VanDerWaalsContact O-CB 3.24Å; I717-Y721 WeakPolarHBondContact O-CB 3.46Å; I717-Y721 PolarHBondContact O-N 2.88Å; Y721-R725 WeakPolarHBondContact O-CB 2.79Å; Y721-R725 PolarHBondContact O-N 2.85Å; Y721-R725 PolarHBondContact OH-NH1 3.26Å; Y721-W742 HydrophobicContact CD1-CE3 4.5Å; Y721-W742 HydrophobicContact CD1-CZ3 4.27Å; Y721-W742 HydrophobicContact CE1-CE3 4.3Å; Y721-W742 HydrophobicContact CE1-CH2 4.33Å; Y721-W742 AromaticContact CE1-CZ3 3.75Å; Y721-W742 HydrophobicContact CE1-CZ3 3.75Å; Y721-L745 HydrophobicContact CD1-CD2 4.12Å; Y721-F957 HydrophobicContact CD1-CE2 4.44Å; Y721-F957 HydrophobicContact CD1-CZ 4.28Å; Y721-F957 HydrophobicContact CD2-CE2 4.4Å; Y721-F957 AromaticContact CD2-CZ 3.65Å; Y721-F957 HydrophobicContact CD2-CZ 3.65Å; Y721-F957 HydrophobicContact CE1-CE2 4.5Å; Y721-F957 HydrophobicContact CE1-CZ 4.11Å; Y721-F957 HydrophobicContact CE2-CE1 4.09Å; Y721-F957 HydrophobicContact CE2-CE2 4.48Å; Y721-F957 AromaticContact CE2-CZ 3.48Å; Y721-F957 HydrophobicContact CE2-CZ 3.48Å; Y721-F957 VanDerWaalsContact CE2-CZ 3.48Å; Y721-F957 HydrophobicContact CG-CE2 4.36Å; Y721-F957 HydrophobicContact CG-CZ 4.04Å; Y721-F957 AromaticContact CZ-CZ 3.69Å |
| 722 | G | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | G718 Q719 T726 | G718-G722 PolarHBondContact O-N 2.77Å; Q719-G722 PolarHBondContact O-N 3.35Å; G722-T726 WeakPolarHBondContact O-CB 3.43Å; G722-T726 PolarHBondContact O-N 3.46Å; G722-T726 PolarHBondContact O-OG1 3.09Å |
| 723 | L | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.3 | -48.6 | -178.6 | -171.6 | 55.9 | 0 | 0 | 0 | 111.8 | Q719 R725 T726 I727 F746 I964 T1341 L1345 V1367 F1371 | Q719-L723 VanDerWaalsContact O-CB 3.3Å; Q719-L723 WeakPolarHBondContact O-CB 3.46Å; Q719-L723 PolarHBondContact O-N 3.27Å; L723-R725 VanDerWaalsContact C-N 3.31Å; L723-R725 PolarHBondContact O-N 3.07Å; L723-T726 WeakPolarHBondContact O-CB 3.39Å; L723-T726 PolarHBondContact O-N 3.39Å; L723-I727 HydrophobicContact CD1-CD1 4.06Å; L723-I727 HydrophobicContact CD1-CG1 4.47Å; L723-I727 HydrophobicContact CG-CD1 3.95Å; L723-I727 WeakPolarHBondContact O-CG1 3.47Å; L723-I727 PolarHBondContact O-N 3.09Å; L723-F746 HydrophobicContact CB-CB 4.45Å; L723-F746 HydrophobicContact CB-CD2 3.74Å; L723-F746 HydrophobicContact CB-CE2 4.27Å; L723-F746 HydrophobicContact CB-CG 4.15Å; L723-F746 HydrophobicContact CD1-CD1 4.48Å; L723-F746 HydrophobicContact CD1-CD2 4.45Å; L723-F746 HydrophobicContact CD1-CG 4.38Å; L723-F746 HydrophobicContact CD2-CD2 4.23Å; L723-F746 HydrophobicContact CD2-CE2 3.9Å; L723-F746 HydrophobicContact CD2-CZ 4.33Å; L723-F746 HydrophobicContact CG-CD2 4.37Å; L723-I964 HydrophobicContact CB-CD1 4.5Å; L723-I964 HydrophobicContact CD2-CD1 4.15Å; L723-I964 HydrophobicContact CG-CD1 4.35Å; L723-T1341 HydrophobicContact CD1-CG2 4.46Å; L723-T1341 HydrophobicContact CD2-CG2 4.42Å; L723-L1345 HydrophobicContact CD1-CD1 3.81Å; L723-V1367 HydrophobicContact CD1-CG1 3.85Å; L723-V1367 HydrophobicContact CD2-CG1 4.44Å; L723-F1371 HydrophobicContact CD2-CE2 3.78Å; L723-F1371 HydrophobicContact CD2-CZ 3.74Å |
| 724 | S | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 179.6 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | A720 T728 L960 T961 | A720-S724 WeakPolarHBondContact O-CB 3.44Å; A720-S724 PolarHBondContact O-N 3.03Å; A720-S724 PolarHBondContact O-OG 3.05Å; S724-T728 WeakPolarHBondContact O-CB 3.47Å; S724-T728 PolarHBondContact O-N 3.24Å; S724-T728 PolarHBondContact O-OG1 3.43Å; S724-L960 PolarHBondContact OG-O 3.26Å; S724-T961 WeakPolarHBondContact CB-OG1 3.35Å; S724-T961 WeakPolarHBondContact OG-CA 3.45Å; S724-T961 PolarHBondContact OG-N 3.43Å; S724-T961 PolarHBondContact OG-OG1 3Å |
| 725 | R | 91.7 | Very high | 88.9 | Confident | 65 Ų | 65 | 35.6 Ų | 35.6 | 25% | 0.245 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -39.7 | 177.3 | -169.7 | 157.5 | -179.4 | 145.8 | 5.2 | 111.8 | Y721 L723 T728 H729 W742 F957 | Y721-R725 WeakPolarHBondContact O-CB 2.79Å; Y721-R725 PolarHBondContact O-N 2.85Å; Y721-R725 PolarHBondContact OH-NH1 3.26Å; L723-R725 VanDerWaalsContact C-N 3.31Å; L723-R725 PolarHBondContact O-N 3.07Å; R725-T728 PolarHBondContact O-N 2.89Å; R725-H729 WeakPolarHBondContact CD-NE2 3.39Å; R725-H729 WeakPolarHBondContact CG-NE2 3.43Å; R725-H729 PolarHBondContact NE-NE2 3.17Å; R725-H729 PolarHBondContact NH2-NE2 2.93Å; R725-H729 PolarHBondContact O-CD2 2.89Å; R725-H729 PolarHBondContact O-N 3.25Å; R725-W742 HydrophobicContact CB-CD2 4.35Å; R725-W742 HydrophobicContact CB-CG 4.39Å; R725-W742 HydrophobicContact CG-CD2 3.9Å; R725-W742 HydrophobicContact CG-CE3 4.36Å; R725-W742 HydrophobicContact CG-CG 4.08Å; R725-W742 VanDerWaalsContact NE-CE2 3.35Å; R725-F957 HydrophobicContact CB-CD2 3.88Å; R725-F957 HydrophobicContact CB-CE2 3.78Å; R725-F957 HydrophobicContact CG-CD2 4.45Å |
| 726 | T | 90.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.8 | -51.4 | 172 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | G722 L723 T728 H729 L730 Q739 W742 I743 L1345 | G722-T726 WeakPolarHBondContact O-CB 3.43Å; G722-T726 PolarHBondContact O-N 3.46Å; G722-T726 PolarHBondContact O-OG1 3.09Å; L723-T726 WeakPolarHBondContact O-CB 3.39Å; L723-T726 PolarHBondContact O-N 3.39Å; T726-T728 VanDerWaalsContact C-N 3.33Å; T726-T728 PolarHBondContact O-N 2.88Å; T726-H729 PolarHBondContact O-N 3.18Å; T726-L730 HydrophobicContact CG2-CD1 4.03Å; T726-L730 WeakPolarHBondContact O-CB 3.48Å; T726-L730 VanDerWaalsContact O-CG 3.31Å; T726-L730 WeakPolarHBondContact O-CG 3.33Å; T726-L730 PolarHBondContact O-N 2.84Å; T726-L730 VanDerWaalsContact O-N 3.08Å; T726-Q739 HydrophobicContact CG2-CB 4.05Å; T726-W742 VanDerWaalsContact OG1-C 3.32Å; T726-W742 WeakPolarHBondContact OG1-CB 3.06Å; T726-I743 HydrophobicContact CG2-CD1 4.05Å; T726-I743 HydrophobicContact CG2-CG1 3.51Å; T726-I743 PolarHBondContact OG1-N 2.99Å; T726-L1345 HydrophobicContact CG2-CD1 3.66Å; T726-L1345 HydrophobicContact CG2-CD2 3.8Å; T726-L1345 HydrophobicContact CG2-CG 4.3Å |
| 727 | I | 88.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | -179 | -66.7 | 166 | 0 | 0 | 0 | 110.8 | L723 W731 L960 L1345 A1364 V1367 | L723-I727 HydrophobicContact CD1-CD1 4.06Å; L723-I727 HydrophobicContact CD1-CG1 4.47Å; L723-I727 HydrophobicContact CG-CD1 3.95Å; L723-I727 WeakPolarHBondContact O-CG1 3.47Å; L723-I727 PolarHBondContact O-N 3.09Å; I727-W731 VanDerWaalsContact O-CB 3.3Å; I727-W731 WeakPolarHBondContact O-CB 3.4Å; I727-W731 PolarHBondContact O-N 3.13Å; I727-L960 HydrophobicContact CB-CD2 3.74Å; I727-L960 HydrophobicContact CD1-CD2 4.06Å; I727-L960 HydrophobicContact CG2-CD2 3.58Å; I727-L1345 HydrophobicContact CG1-CD1 4.47Å; I727-A1364 HydrophobicContact CG2-CB 4Å; I727-V1367 HydrophobicContact CD1-CG1 4.04Å |
| 728 | T | 88.1 | Confident | 87.4 | Confident | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -50.6 | 178.8 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | S724 R725 T726 L730 W731 D732 L956 F957 | S724-T728 WeakPolarHBondContact O-CB 3.47Å; S724-T728 PolarHBondContact O-N 3.24Å; S724-T728 PolarHBondContact O-OG1 3.43Å; R725-T728 PolarHBondContact O-N 2.89Å; T726-T728 VanDerWaalsContact C-N 3.33Å; T726-T728 PolarHBondContact O-N 2.88Å; T728-L730 VanDerWaalsContact C-N 3.31Å; T728-L730 PolarHBondContact O-N 3.47Å; T728-W731 CarbonylContact O-C 3.47Å; T728-W731 WeakPolarHBondContact O-CA 3.25Å; T728-W731 WeakPolarHBondContact O-CB 3.41Å; T728-W731 PolarHBondContact O-N 2.96Å; T728-D732 PolarHBondContact O-N 3.37Å; T728-L956 HydrophobicContact CG2-CB 4.19Å; T728-L956 HydrophobicContact CG2-CD2 4.4Å; T728-L956 HydrophobicContact CG2-CG 4.44Å; T728-F957 HydrophobicContact CG2-CB 4.06Å; T728-F957 VanDerWaalsContact OG1-CA 3.31Å; T728-F957 WeakPolarHBondContact OG1-CA 3.41Å; T728-F957 PolarHBondContact OG1-N 2.9Å |
| 729 | H | 87.7 | Confident | 87.2 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -32.1 | -180 | -71.4 | -59.6 | 0 | 0 | 0 | 112.8 | R725 T726 W731 D732 G733 E734 Q739 | R725-H729 WeakPolarHBondContact CD-NE2 3.39Å; R725-H729 WeakPolarHBondContact CG-NE2 3.43Å; R725-H729 PolarHBondContact NE-NE2 3.17Å; R725-H729 PolarHBondContact NH2-NE2 2.93Å; R725-H729 PolarHBondContact O-CD2 2.89Å; R725-H729 PolarHBondContact O-N 3.25Å; T726-H729 PolarHBondContact O-N 3.18Å; H729-W731 VanDerWaalsContact C-N 3.3Å; H729-D732 PolarHBondContact O-N 3.32Å; H729-G733 PolarHBondContact O-N 2.89Å; H729-E734 HydrophobicContact CB-CB 4.3Å; H729-E734 HydrophobicContact CB-CG 4.36Å; H729-E734 IonicContact ND1-OE1 2.67Å; H729-E734 WeakPolarHBondContact O-CB 3.25Å; H729-E734 PolarHBondContact O-N 3.48Å; H729-Q739 HydrophobicContact CB-CG 4.1Å |
| 730 | L | 84.4 | Confident | 87 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -32.5 | 169.9 | -72.6 | 177.1 | 0 | 0 | 0 | 112.4 | T726 T728 G733 L736 Q739 L1345 S1349 I1363 | T726-L730 HydrophobicContact CG2-CD1 4.03Å; T726-L730 WeakPolarHBondContact O-CB 3.48Å; T726-L730 VanDerWaalsContact O-CG 3.31Å; T726-L730 WeakPolarHBondContact O-CG 3.33Å; T726-L730 PolarHBondContact O-N 2.84Å; T726-L730 VanDerWaalsContact O-N 3.08Å; T728-L730 VanDerWaalsContact C-N 3.31Å; T728-L730 PolarHBondContact O-N 3.47Å; L730-G733 PolarHBondContact O-N 3.47Å; L730-L736 HydrophobicContact CD1-CD1 4.24Å; L730-L736 HydrophobicContact CD2-CB 4.3Å; L730-L736 HydrophobicContact CD2-CD1 4.15Å; L730-Q739 HydrophobicContact CD2-CG 4.22Å; L730-Q739 HydrophobicContact CG-CG 4.23Å; L730-L1345 HydrophobicContact CD1-CD2 3.78Å; L730-L1345 HydrophobicContact CD1-CG 4.25Å; L730-S1349 WeakPolarHBondContact CD2-OG 3.44Å; L730-I1363 HydrophobicContact CB-CD1 4.3Å; L730-I1363 HydrophobicContact CD1-CG2 4.28Å |
| 731 | W | 79.8 | Confident | 87 | Confident | 100 Ų | 100 | 53.9 Ų | 53.9 | 38% | 0.379 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.2 | -37 | 176.1 | -175.4 | 102.7 | 0 | 0 | 0 | 112.4 | I727 T728 H729 G733 L956 A1360 N1361 | I727-W731 VanDerWaalsContact O-CB 3.3Å; I727-W731 WeakPolarHBondContact O-CB 3.4Å; I727-W731 PolarHBondContact O-N 3.13Å; T728-W731 CarbonylContact O-C 3.47Å; T728-W731 WeakPolarHBondContact O-CA 3.25Å; T728-W731 WeakPolarHBondContact O-CB 3.41Å; T728-W731 PolarHBondContact O-N 2.96Å; H729-W731 VanDerWaalsContact C-N 3.3Å; W731-G733 PolarHBondContact O-N 3.46Å; W731-L956 HydrophobicContact CB-CD2 3.97Å; W731-L956 HydrophobicContact CD2-CD2 3.67Å; W731-L956 HydrophobicContact CE3-CD2 4.03Å; W731-L956 HydrophobicContact CG-CD2 3.64Å; W731-A1360 HydrophobicContact CB-CB 3.92Å; W731-A1360 HydrophobicContact CG-CB 3.77Å; W731-N1361 PolarHBondContact NE1-OD1 3.04Å |
| 732 | D | 79 | Confident | 86.9 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.2 | 169.4 | -67.5 | -39.9 | 0 | 0 | 0 | 112.7 | T728 H729 | T728-D732 PolarHBondContact O-N 3.37Å; H729-D732 PolarHBondContact O-N 3.32Å |
| 733 | G | 76.6 | Confident | 86.9 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | 16.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | H729 L730 W731 | H729-G733 PolarHBondContact O-N 2.89Å; L730-G733 PolarHBondContact O-N 3.47Å; W731-G733 PolarHBondContact O-N 3.46Å |
| 734 | E | 82.8 | Confident | 86.9 | Confident | 83 Ų | 83 | 57.1 Ų | 57.1 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | trans | -69.4 | 148 | 172.8 | -65.6 | -158.3 | -179.7 | 0 | 0 | 112.5 | H729 Q739 | H729-E734 HydrophobicContact CB-CB 4.3Å; H729-E734 HydrophobicContact CB-CG 4.36Å; H729-E734 IonicContact ND1-OE1 2.67Å; H729-E734 WeakPolarHBondContact O-CB 3.25Å; H729-E734 PolarHBondContact O-N 3.48Å; E734-Q739 PolarHBondContact OE2-NE2 3.24Å | ||
| 735 | E | 81.7 | Confident | 87 | Confident | 108 Ų | 108 | 60.1 Ų | 60.1 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | trans | -60.2 | 136.5 | 174.6 | -67.5 | 160.9 | -126.9 | 0 | 0 | 112.3 | N737 K738 | E735-N737 PolarHBondContact O-N 3.02Å; E735-K738 HydrophobicContact CB-CD 4.33Å; E735-K738 HydrophobicContact CB-CG 4.43Å; E735-K738 WeakPolarHBondContact O-CB 3.4Å; E735-K738 PolarHBondContact O-N 2.91Å; E735-K738 WeakPolarHBondContact OE1-CE 3.31Å; E735-K738 IonicContact OE1-NZ 2.61Å; E735-K738 PolarHBondContact OE1-NZ 2.89Å | ||
| 736 | L | 81.7 | Confident | 87.1 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -49.1 | -36.1 | 174.1 | -175.9 | 64.9 | 0 | 0 | 0 | 113.4 | L730 K738 Q739 L740 I743 L1345 V1346 | L730-L736 HydrophobicContact CD1-CD1 4.24Å; L730-L736 HydrophobicContact CD2-CB 4.3Å; L730-L736 HydrophobicContact CD2-CD1 4.15Å; L736-K738 PolarHBondContact O-N 3.32Å; L736-Q739 PolarHBondContact O-N 3.48Å; L736-L740 PolarHBondContact O-N 2.92Å; L736-I743 HydrophobicContact CD1-CD1 3.72Å; L736-L1345 HydrophobicContact CD1-CD2 3.84Å; L736-V1346 HydrophobicContact CD2-CB 4.44Å; L736-V1346 HydrophobicContact CD2-CG1 4.18Å; L736-V1346 HydrophobicContact CD2-CG2 4.27Å |
| 737 | N | 84.9 | Confident | 87.2 | Confident | 131 Ų | 131 | 59.8 Ų | 59.8 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -59.8 | -32 | 178.3 | -64.1 | -27.1 | 0 | 0 | 0 | 113.1 | E735 Q739 | E735-N737 PolarHBondContact O-N 3.02Å; N737-Q739 VanDerWaalsContact C-N 3.35Å |
| 738 | K | 87 | Confident | 87.5 | Confident | 102 Ų | 102 | 63.8 Ų | 63.8 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -77.4 | -24 | 177.7 | -63.1 | 170.7 | -169.7 | 160.4 | 0 | 111.9 | E735 L736 Q741 | E735-K738 HydrophobicContact CB-CD 4.33Å; E735-K738 HydrophobicContact CB-CG 4.43Å; E735-K738 WeakPolarHBondContact O-CB 3.4Å; E735-K738 PolarHBondContact O-N 2.91Å; E735-K738 WeakPolarHBondContact OE1-CE 3.31Å; E735-K738 IonicContact OE1-NZ 2.61Å; E735-K738 PolarHBondContact OE1-NZ 2.89Å; L736-K738 PolarHBondContact O-N 3.32Å; K738-Q741 PolarHBondContact O-NE2 3.46Å |
| 739 | Q | 89.2 | Confident | 87.8 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -87.3 | -2.6 | 179.6 | -45.7 | -38.6 | -44.9 | 0 | 0 | 113.8 | T726 H729 L730 E734 L736 N737 Q741 W742 I743 | T726-Q739 HydrophobicContact CG2-CB 4.05Å; H729-Q739 HydrophobicContact CB-CG 4.1Å; L730-Q739 HydrophobicContact CD2-CG 4.22Å; L730-Q739 HydrophobicContact CG-CG 4.23Å; E734-Q739 PolarHBondContact OE2-NE2 3.24Å; L736-Q739 PolarHBondContact O-N 3.48Å; N737-Q739 VanDerWaalsContact C-N 3.35Å; Q739-Q741 PolarHBondContact O-N 3.45Å; Q739-Q741 VanDerWaalsContact O-N 3.11Å; Q739-W742 PolarHBondContact O-N 3.06Å; Q739-W742 VanDerWaalsContact OE1-CD1 3.31Å; Q739-I743 HydrophobicContact CB-CD1 4.43Å; Q739-I743 WeakPolarHBondContact O-CG1 3.36Å; Q739-I743 PolarHBondContact O-N 2.85Å |
| 740 | L | 89.4 | Confident | 88 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.8 | -36.3 | 179.8 | -175.2 | 61.7 | 0 | 0 | 0 | 112.6 | L736 W742 I743 L744 | L736-L740 PolarHBondContact O-N 2.92Å; L740-W742 PolarHBondContact O-N 3.38Å; L740-I743 PolarHBondContact O-N 3.47Å; L740-L744 HydrophobicContact CD1-CD1 4.41Å; L740-L744 HydrophobicContact CD1-CG 4.37Å; L740-L744 HydrophobicContact CG-CD1 4.05Å; L740-L744 HydrophobicContact CG-CG 4.46Å; L740-L744 VanDerWaalsContact O-CB 3.29Å; L740-L744 WeakPolarHBondContact O-CB 3.43Å; L740-L744 WeakPolarHBondContact O-CG 3.43Å; L740-L744 PolarHBondContact O-N 3.5Å |
| 741 | Q | 92.6 | Very high | 88.4 | Confident | 124 Ų | 124 | 61.9 Ų | 61.9 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.1 | -36.7 | 174.5 | 65.8 | -171.5 | -39 | 0 | 0 | 113.7 | K738 Q739 L745 | K738-Q741 PolarHBondContact O-NE2 3.46Å; Q739-Q741 PolarHBondContact O-N 3.45Å; Q739-Q741 VanDerWaalsContact O-N 3.11Å; Q741-L745 WeakPolarHBondContact O-CB 3.31Å; Q741-L745 PolarHBondContact O-N 3.1Å |
| 742 | W | 93.1 | Very high | 89.1 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -83.4 | -32.8 | -179.4 | -56.1 | 119.3 | 0 | 0 | 0 | 111.8 | Y721 R725 T726 Q739 L740 L745 F746 | Y721-W742 HydrophobicContact CD1-CE3 4.5Å; Y721-W742 HydrophobicContact CD1-CZ3 4.27Å; Y721-W742 HydrophobicContact CE1-CE3 4.3Å; Y721-W742 HydrophobicContact CE1-CH2 4.33Å; Y721-W742 AromaticContact CE1-CZ3 3.75Å; Y721-W742 HydrophobicContact CE1-CZ3 3.75Å; R725-W742 HydrophobicContact CB-CD2 4.35Å; R725-W742 HydrophobicContact CB-CG 4.39Å; R725-W742 HydrophobicContact CG-CD2 3.9Å; R725-W742 HydrophobicContact CG-CE3 4.36Å; R725-W742 HydrophobicContact CG-CG 4.08Å; R725-W742 VanDerWaalsContact NE-CE2 3.35Å; T726-W742 VanDerWaalsContact OG1-C 3.32Å; T726-W742 WeakPolarHBondContact OG1-CB 3.06Å; Q739-W742 PolarHBondContact O-N 3.06Å; Q739-W742 VanDerWaalsContact OE1-CD1 3.31Å; L740-W742 PolarHBondContact O-N 3.38Å; W742-L745 HydrophobicContact CE3-CD2 3.82Å; W742-L745 HydrophobicContact CZ3-CD2 3.95Å; W742-L745 PolarHBondContact O-N 2.93Å; W742-F746 WeakPolarHBondContact O-CB 3.35Å; W742-F746 PolarHBondContact O-N 3.19Å |
| 743 | I | 91.2 | Very high | 89.7 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 169.1 | -64.6 | 166.5 | 0 | 0 | 0 | 110.3 | T726 L736 Q739 L740 F746 F747 I1342 L1345 | T726-I743 HydrophobicContact CG2-CD1 4.05Å; T726-I743 HydrophobicContact CG2-CG1 3.51Å; T726-I743 PolarHBondContact OG1-N 2.99Å; L736-I743 HydrophobicContact CD1-CD1 3.72Å; Q739-I743 HydrophobicContact CB-CD1 4.43Å; Q739-I743 WeakPolarHBondContact O-CG1 3.36Å; Q739-I743 PolarHBondContact O-N 2.85Å; L740-I743 PolarHBondContact O-N 3.47Å; I743-F746 PolarHBondContact O-N 2.95Å; I743-F747 WeakPolarHBondContact O-CB 3.35Å; I743-F747 PolarHBondContact O-N 3.45Å; I743-I1342 HydrophobicContact CG2-CD1 4.42Å; I743-I1342 HydrophobicContact CG2-CG1 4.24Å; I743-I1342 HydrophobicContact CG2-CG2 4.08Å; I743-L1345 HydrophobicContact CD1-CD2 3.86Å; I743-L1345 HydrophobicContact CG1-CD2 4.2Å |
| 744 | L | 92.9 | Very high | 90.4 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 173.8 | -73.8 | 169.4 | 0 | 0 | 0 | 111.5 | L740 F746 F747 I748 | L740-L744 HydrophobicContact CD1-CD1 4.41Å; L740-L744 HydrophobicContact CD1-CG 4.37Å; L740-L744 HydrophobicContact CG-CD1 4.05Å; L740-L744 HydrophobicContact CG-CG 4.46Å; L740-L744 VanDerWaalsContact O-CB 3.29Å; L740-L744 WeakPolarHBondContact O-CB 3.43Å; L740-L744 WeakPolarHBondContact O-CG 3.43Å; L740-L744 PolarHBondContact O-N 3.5Å; L744-F746 VanDerWaalsContact C-N 3.33Å; L744-F746 PolarHBondContact O-N 2.75Å; L744-F747 PolarHBondContact O-N 3.46Å; L744-I748 HydrophobicContact CB-CD1 4.32Å; L744-I748 VanDerWaalsContact O-CB 3.23Å; L744-I748 WeakPolarHBondContact O-CB 3.4Å; L744-I748 WeakPolarHBondContact O-CD1 3.46Å; L744-I748 WeakPolarHBondContact O-CG1 3.44Å; L744-I748 PolarHBondContact O-N 3.06Å |
| 745 | L | 94.1 | Very high | 90.8 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 174 | -179.2 | 64.3 | 0 | 0 | 0 | 111.7 | Y721 Q741 W742 S749 | Y721-L745 HydrophobicContact CD1-CD2 4.12Å; Q741-L745 WeakPolarHBondContact O-CB 3.31Å; Q741-L745 PolarHBondContact O-N 3.1Å; W742-L745 HydrophobicContact CE3-CD2 3.82Å; W742-L745 HydrophobicContact CZ3-CD2 3.95Å; W742-L745 PolarHBondContact O-N 2.93Å; L745-S749 WeakPolarHBondContact O-CB 3.42Å; L745-S749 PolarHBondContact O-N 3Å; L745-S749 PolarHBondContact O-OG 3.35Å |
| 746 | F | 93.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.4 | -56.8 | 173.4 | 164.8 | -110.7 | 0 | 0 | 0 | 111.1 | Q719 L723 W742 I743 L744 I748 S749 F750 T1341 I1342 F1371 | Q719-F746 HydrophobicContact CB-CD2 3.9Å; Q719-F746 HydrophobicContact CB-CE2 4.21Å; L723-F746 HydrophobicContact CB-CB 4.45Å; L723-F746 HydrophobicContact CB-CD2 3.74Å; L723-F746 HydrophobicContact CB-CE2 4.27Å; L723-F746 HydrophobicContact CB-CG 4.15Å; L723-F746 HydrophobicContact CD1-CD1 4.48Å; L723-F746 HydrophobicContact CD1-CD2 4.45Å; L723-F746 HydrophobicContact CD1-CG 4.38Å; L723-F746 HydrophobicContact CD2-CD2 4.23Å; L723-F746 HydrophobicContact CD2-CE2 3.9Å; L723-F746 HydrophobicContact CD2-CZ 4.33Å; L723-F746 HydrophobicContact CG-CD2 4.37Å; W742-F746 WeakPolarHBondContact O-CB 3.35Å; W742-F746 PolarHBondContact O-N 3.19Å; I743-F746 PolarHBondContact O-N 2.95Å; L744-F746 VanDerWaalsContact C-N 3.33Å; L744-F746 PolarHBondContact O-N 2.75Å; F746-I748 PolarHBondContact O-N 3.43Å; F746-S749 PolarHBondContact O-N 2.85Å; F746-F750 HydrophobicContact CE2-CB 4.25Å; F746-F750 HydrophobicContact CE2-CD2 4.21Å; F746-F750 HydrophobicContact CE2-CG 4.46Å; F746-F750 HydrophobicContact CZ-CD2 4.32Å; F746-F750 HydrophobicContact CZ-CG 4.44Å; F746-F750 WeakPolarHBondContact O-CB 3.49Å; F746-F750 PolarHBondContact O-N 3.11Å; F746-T1341 HydrophobicContact CE1-CG2 3.98Å; F746-T1341 HydrophobicContact CZ-CG2 3.85Å; F746-I1342 HydrophobicContact CD1-CD1 4.4Å; F746-I1342 HydrophobicContact CD1-CG1 4.11Å; F746-I1342 HydrophobicContact CE1-CD1 4.4Å; F746-I1342 HydrophobicContact CE1-CG1 3.99Å; F746-F1371 HydrophobicContact CE2-CZ 4.41Å; F746-F1371 HydrophobicContact CZ-CZ 4.5Å |
| 747 | F | 92.9 | Very high | 91.4 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | -174.7 | -171 | -116.5 | 0 | 0 | 0 | 112.8 | I743 L744 F750 A751 L1335 L1339 I1342 | I743-F747 WeakPolarHBondContact O-CB 3.35Å; I743-F747 PolarHBondContact O-N 3.45Å; L744-F747 PolarHBondContact O-N 3.46Å; F747-F750 PolarHBondContact O-N 2.78Å; F747-A751 WeakPolarHBondContact O-CB 3.24Å; F747-A751 PolarHBondContact O-N 2.75Å; F747-L1335 HydrophobicContact CZ-CD2 4.5Å; F747-L1339 HydrophobicContact CE2-CD2 3.84Å; F747-L1339 HydrophobicContact CE2-CG 3.97Å; F747-L1339 HydrophobicContact CZ-CD2 3.89Å; F747-L1339 HydrophobicContact CZ-CG 4.2Å; F747-I1342 HydrophobicContact CB-CD1 3.71Å; F747-I1342 HydrophobicContact CD2-CD1 3.39Å; F747-I1342 HydrophobicContact CE2-CD1 4.22Å; F747-I1342 HydrophobicContact CG-CD1 3.7Å |
| 748 | I | 94.8 | Very high | 91.6 | Very high | 88 Ų | 88 | 46.2 Ų | 46.2 | 45% | 0.451 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 179.3 | -67.8 | 166.7 | 0 | 0 | 0 | 109.8 | L744 F746 L752 | L744-I748 HydrophobicContact CB-CD1 4.32Å; L744-I748 VanDerWaalsContact O-CB 3.23Å; L744-I748 WeakPolarHBondContact O-CB 3.4Å; L744-I748 WeakPolarHBondContact O-CD1 3.46Å; L744-I748 WeakPolarHBondContact O-CG1 3.44Å; L744-I748 PolarHBondContact O-N 3.06Å; F746-I748 PolarHBondContact O-N 3.43Å; I748-L752 HydrophobicContact CG2-CD1 3.66Å; I748-L752 HydrophobicContact CG2-CG 4.28Å; I748-L752 VanDerWaalsContact O-CB 3.24Å; I748-L752 WeakPolarHBondContact O-CB 3.26Å; I748-L752 WeakPolarHBondContact O-CG 3.37Å; I748-L752 PolarHBondContact O-N 3.28Å |
| 749 | S | 94.2 | Very high | 91.6 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | F715 Q719 L745 F746 L752 R753 | F715-S749 WeakPolarHBondContact CB-O 3.36Å; F715-S749 WeakPolarHBondContact O-CB 3.17Å; Q719-S749 VanDerWaalsContact N-CB 3.29Å; L745-S749 WeakPolarHBondContact O-CB 3.42Å; L745-S749 PolarHBondContact O-N 3Å; L745-S749 PolarHBondContact O-OG 3.35Å; F746-S749 PolarHBondContact O-N 2.85Å; S749-L752 PolarHBondContact O-N 3.13Å; S749-R753 WeakPolarHBondContact O-CB 3.41Å; S749-R753 PolarHBondContact O-N 3.47Å |
| 750 | F | 91.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 177 | -179.5 | -84.5 | 0 | 0 | 0 | 111.7 | Q719 F746 F747 L752 R753 H754 Q1334 F1371 | Q719-F750 HydrophobicContact CB-CB 4.24Å; F746-F750 HydrophobicContact CE2-CB 4.25Å; F746-F750 HydrophobicContact CE2-CD2 4.21Å; F746-F750 HydrophobicContact CE2-CG 4.46Å; F746-F750 HydrophobicContact CZ-CD2 4.32Å; F746-F750 HydrophobicContact CZ-CG 4.44Å; F746-F750 WeakPolarHBondContact O-CB 3.49Å; F746-F750 PolarHBondContact O-N 3.11Å; F747-F750 PolarHBondContact O-N 2.78Å; F750-L752 PolarHBondContact O-N 3.42Å; F750-R753 WeakPolarHBondContact O-CB 3.47Å; F750-R753 PolarHBondContact O-N 2.76Å; F750-H754 AromaticContact CD1-CD2 3.97Å; F750-H754 AromaticContact CE1-CD2 3.6Å; F750-H754 AromaticContact CE1-NE2 3.94Å; F750-H754 AromaticContact CE2-NE2 3.62Å; F750-H754 AromaticContact CZ-CD2 3.64Å; F750-H754 AromaticContact CZ-NE2 3.45Å; F750-H754 WeakPolarHBondContact CZ-NE2 3.47Å; F750-H754 PolarHBondContact O-CD2 2.7Å; F750-H754 VanDerWaalsContact O-CD2 3.24Å; F750-H754 PolarHBondContact O-N 3.45Å; F750-Q1334 VanDerWaalsContact CE1-O 3.23Å; F750-Q1334 WeakPolarHBondContact CE1-O 3.48Å; F750-F1371 HydrophobicContact CE2-CE1 4.48Å |
| 751 | A | 92.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F747 H754 L755 L1335 | F747-A751 WeakPolarHBondContact O-CB 3.24Å; F747-A751 PolarHBondContact O-N 2.75Å; A751-H754 PolarHBondContact O-N 2.94Å; A751-L755 WeakPolarHBondContact O-CB 3.2Å; A751-L755 PolarHBondContact O-N 2.78Å; A751-L1335 HydrophobicContact CB-CD2 3.71Å |
| 752 | L | 94.2 | Very high | 90.8 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 29% | 0.293 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.3 | -36.6 | 177.1 | -72.6 | 173.7 | 0 | 0 | 0 | 112.5 | F715 I748 S749 F750 L755 M756 | F715-L752 HydrophobicContact CD1-CB 3.85Å; F715-L752 HydrophobicContact CD1-CD1 4.18Å; F715-L752 HydrophobicContact CD2-CB 3.83Å; F715-L752 HydrophobicContact CE1-CB 3.78Å; F715-L752 HydrophobicContact CE1-CD1 3.51Å; F715-L752 HydrophobicContact CE1-CG 4.28Å; F715-L752 HydrophobicContact CE2-CB 3.76Å; F715-L752 HydrophobicContact CG-CB 3.91Å; F715-L752 HydrophobicContact CZ-CB 3.75Å; F715-L752 HydrophobicContact CZ-CD1 3.78Å; F715-L752 HydrophobicContact CZ-CG 4.28Å; I748-L752 HydrophobicContact CG2-CD1 3.66Å; I748-L752 HydrophobicContact CG2-CG 4.28Å; I748-L752 VanDerWaalsContact O-CB 3.24Å; I748-L752 WeakPolarHBondContact O-CB 3.26Å; I748-L752 WeakPolarHBondContact O-CG 3.37Å; I748-L752 PolarHBondContact O-N 3.28Å; S749-L752 PolarHBondContact O-N 3.13Å; F750-L752 PolarHBondContact O-N 3.42Å; L752-L755 HydrophobicContact CD2-CD2 4.08Å; L752-L755 PolarHBondContact O-N 3.11Å; L752-M756 WeakPolarHBondContact O-CG 3.49Å; L752-M756 PolarHBondContact O-N 2.98Å |
| 753 | R | 92 | Very high | 90.3 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.6 | -54.6 | 170.1 | 175.9 | -154.3 | 176.1 | 146.1 | 2.3 | 110.7 | Q712 F715 I716 S749 F750 L755 M756 T757 E968 | Q712-R753 HydrophobicContact CG-CG 3.92Å; F715-R753 HydrophobicContact CB-CB 3.95Å; I716-R753 HydrophobicContact CG1-CG 4.19Å; S749-R753 WeakPolarHBondContact O-CB 3.41Å; S749-R753 PolarHBondContact O-N 3.47Å; F750-R753 WeakPolarHBondContact O-CB 3.47Å; F750-R753 PolarHBondContact O-N 2.76Å; R753-L755 VanDerWaalsContact C-N 3.27Å; R753-L755 PolarHBondContact O-N 2.95Å; R753-M756 WeakPolarHBondContact O-CB 3.29Å; R753-M756 PolarHBondContact O-N 3.09Å; R753-M756 VanDerWaalsContact O-N 3.15Å; R753-T757 PolarHBondContact O-N 3.14Å; R753-T757 VanDerWaalsContact O-N 3.09Å; R753-E968 IonicContact CZ-OE1 2.73Å; R753-E968 IonicContact CZ-OE2 3.71Å; R753-E968 VanDerWaalsContact CZ-OE2 3.31Å; R753-E968 IonicContact NH1-OE1 3.19Å; R753-E968 PolarHBondContact NH1-OE1 3.01Å; R753-E968 IonicContact NH1-OE2 2.75Å; R753-E968 PolarHBondContact NH1-OE2 2.74Å; R753-E968 VanDerWaalsContact NH1-OE2 3.12Å; R753-E968 IonicContact NH2-OE1 3.99Å; R753-E968 IonicContact NH2-OE2 2.68Å; R753-E968 PolarHBondContact NH2-OE2 3.01Å |
| 754 | H | 90.5 | Very high | 89.9 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 12% | 0.116 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.1 | -24.5 | -178.9 | -70.3 | -69.6 | 0 | 0 | 0 | 112.8 | F750 A751 Y758 F1331 Q1334 | F750-H754 AromaticContact CD1-CD2 3.97Å; F750-H754 AromaticContact CE1-CD2 3.6Å; F750-H754 AromaticContact CE1-NE2 3.94Å; F750-H754 AromaticContact CE2-NE2 3.62Å; F750-H754 AromaticContact CZ-CD2 3.64Å; F750-H754 AromaticContact CZ-NE2 3.45Å; F750-H754 WeakPolarHBondContact CZ-NE2 3.47Å; F750-H754 PolarHBondContact O-CD2 2.7Å; F750-H754 VanDerWaalsContact O-CD2 3.24Å; F750-H754 PolarHBondContact O-N 3.45Å; A751-H754 PolarHBondContact O-N 2.94Å; H754-Y758 WeakPolarHBondContact O-CB 3.22Å; H754-Y758 PolarHBondContact O-N 3.32Å; H754-F1331 HydrophobicContact CB-CD2 4.08Å; H754-F1331 HydrophobicContact CB-CE2 4.27Å; H754-Q1334 HydrophobicContact CB-CB 4.31Å; H754-Q1334 VanDerWaalsContact CE1-CD 3.45Å |
| 755 | L | 91.9 | Very high | 89.3 | Confident | 57 Ų | 57 | 39 Ų | 39 | 30% | 0.298 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.2 | -39.5 | 168.6 | -176 | 63.6 | 0 | 0 | 0 | 112 | A751 L752 R753 T757 Y758 L759 F1331 | A751-L755 WeakPolarHBondContact O-CB 3.2Å; A751-L755 PolarHBondContact O-N 2.78Å; L752-L755 HydrophobicContact CD2-CD2 4.08Å; L752-L755 PolarHBondContact O-N 3.11Å; R753-L755 VanDerWaalsContact C-N 3.27Å; R753-L755 PolarHBondContact O-N 2.95Å; L755-T757 VanDerWaalsContact C-N 3.32Å; L755-T757 PolarHBondContact O-N 2.85Å; L755-Y758 PolarHBondContact O-N 3.46Å; L755-L759 HydrophobicContact CD1-CD1 4.31Å; L755-L759 HydrophobicContact CD1-CG 4.24Å; L755-L759 HydrophobicContact CG-CD1 4.01Å; L755-L759 HydrophobicContact CG-CG 4.37Å; L755-L759 WeakPolarHBondContact O-CB 3.22Å; L755-L759 VanDerWaalsContact O-CG 3.27Å; L755-L759 WeakPolarHBondContact O-CG 3.46Å; L755-L759 PolarHBondContact O-N 3.05Å; L755-F1331 HydrophobicContact CB-CE2 4.08Å; L755-F1331 HydrophobicContact CD1-CE2 4.46Å; L755-F1331 HydrophobicContact CD1-CZ 4.43Å |
| 756 | M | 90.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 38.8 Ų | 38.8 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 173.5 | -66 | -53 | 94.8 | 0 | 0 | 110.8 | L711 F715 L752 R753 L759 R760 | L711-M756 HydrophobicContact CB-CG 4.18Å; L711-M756 HydrophobicContact CB-SD 4.1Å; L711-M756 HydrophobicContact CD1-SD 3.97Å; F715-M756 HydrophobicContact CD2-CG 3.82Å; F715-M756 HydrophobicContact CE2-CE 4.4Å; F715-M756 HydrophobicContact CE2-CG 3.7Å; F715-M756 HydrophobicContact CE2-SD 4.14Å; L752-M756 WeakPolarHBondContact O-CG 3.49Å; L752-M756 PolarHBondContact O-N 2.98Å; R753-M756 WeakPolarHBondContact O-CB 3.29Å; R753-M756 PolarHBondContact O-N 3.09Å; R753-M756 VanDerWaalsContact O-N 3.15Å; M756-L759 HydrophobicContact CE-CD1 3.99Å; M756-L759 PolarHBondContact O-N 2.82Å; M756-R760 VanDerWaalsContact O-CB 3.26Å; M756-R760 WeakPolarHBondContact O-CB 3.19Å; M756-R760 PolarHBondContact O-N 3.27Å |
| 757 | T | 85.9 | Confident | 88.2 | Confident | 26 Ų | 26 | 39 Ų | 39 | 16% | 0.16 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -53.6 | 172.2 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | R753 L755 L759 R760 E761 | R753-T757 PolarHBondContact O-N 3.14Å; R753-T757 VanDerWaalsContact O-N 3.09Å; L755-T757 VanDerWaalsContact C-N 3.32Å; L755-T757 PolarHBondContact O-N 2.85Å; T757-L759 VanDerWaalsContact C-N 3.31Å; T757-L759 PolarHBondContact O-N 3Å; T757-R760 PolarHBondContact O-N 2.86Å; T757-E761 HydrophobicContact CG2-CG 4.29Å; T757-E761 WeakPolarHBondContact CG2-OE1 3.46Å; T757-E761 VanDerWaalsContact O-CG 3.31Å; T757-E761 WeakPolarHBondContact O-CG 3.23Å; T757-E761 PolarHBondContact O-N 3.15Å |
| 758 | Y | 88.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 18% | 0.18 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.3 | -40.5 | 179.8 | 176.4 | -84.4 | 0 | 0 | 0 | 113.3 | H754 L755 H762 R1327 K1328 F1331 | H754-Y758 WeakPolarHBondContact O-CB 3.22Å; H754-Y758 PolarHBondContact O-N 3.32Å; L755-Y758 PolarHBondContact O-N 3.46Å; Y758-H762 PolarHBondContact O-N 3.46Å; Y758-R1327 HydrophobicContact CD2-CB 3.71Å; Y758-R1327 HydrophobicContact CE2-CB 3.62Å; Y758-K1328 HydrophobicContact CE2-CG 4Å; Y758-F1331 HydrophobicContact CD2-CB 4.07Å; Y758-F1331 HydrophobicContact CD2-CG 4.47Å |
| 759 | L | 87.6 | Confident | 87.2 | Confident | 81 Ų | 81 | 32.9 Ų | 32.9 | 42% | 0.424 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -72 | -41 | 178.1 | -70 | 172.8 | 0 | 0 | 0 | 111.9 | L755 M756 T757 H762 V763 | L755-L759 HydrophobicContact CD1-CD1 4.31Å; L755-L759 HydrophobicContact CD1-CG 4.24Å; L755-L759 HydrophobicContact CG-CD1 4.01Å; L755-L759 HydrophobicContact CG-CG 4.37Å; L755-L759 WeakPolarHBondContact O-CB 3.22Å; L755-L759 VanDerWaalsContact O-CG 3.27Å; L755-L759 WeakPolarHBondContact O-CG 3.46Å; L755-L759 PolarHBondContact O-N 3.05Å; M756-L759 HydrophobicContact CE-CD1 3.99Å; M756-L759 PolarHBondContact O-N 2.82Å; T757-L759 VanDerWaalsContact C-N 3.31Å; T757-L759 PolarHBondContact O-N 3Å; L759-H762 PolarHBondContact O-N 3.35Å; L759-V763 WeakPolarHBondContact O-CG2 3.09Å; L759-V763 PolarHBondContact O-N 2.95Å |
| 760 | R | 86.2 | Confident | 86.7 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | 176.9 | -179 | -174.8 | 62.5 | -135.6 | -15.1 | 111.7 | M756 T757 H762 V763 L764 N823 | M756-R760 VanDerWaalsContact O-CB 3.26Å; M756-R760 WeakPolarHBondContact O-CB 3.19Å; M756-R760 PolarHBondContact O-N 3.27Å; T757-R760 PolarHBondContact O-N 2.86Å; R760-H762 VanDerWaalsContact C-N 3.34Å; R760-H762 PolarHBondContact O-N 2.98Å; R760-V763 PolarHBondContact O-N 3.11Å; R760-L764 HydrophobicContact CG-CD1 3.61Å; R760-L764 HydrophobicContact CG-CG 4.32Å; R760-L764 WeakPolarHBondContact O-CB 3.46Å; R760-L764 WeakPolarHBondContact O-CG 3.48Å; R760-L764 PolarHBondContact O-N 3.34Å; R760-N823 PolarHBondContact NH1-ND2 2.71Å; R760-N823 PolarHBondContact NH1-OD1 3.05Å; R760-N823 VanDerWaalsContact NH1-OD1 3.09Å |
| 761 | E | 83.1 | Confident | 86.3 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 24% | 0.238 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.9 | -49.2 | 175.1 | -71.5 | 167.4 | 176.7 | 0 | 0 | 110.6 | T757 V763 L764 E765 R1327 | T757-E761 HydrophobicContact CG2-CG 4.29Å; T757-E761 WeakPolarHBondContact CG2-OE1 3.46Å; T757-E761 VanDerWaalsContact O-CG 3.31Å; T757-E761 WeakPolarHBondContact O-CG 3.23Å; T757-E761 PolarHBondContact O-N 3.15Å; E761-V763 VanDerWaalsContact C-N 3.32Å; E761-V763 PolarHBondContact O-N 3.39Å; E761-L764 PolarHBondContact O-N 2.97Å; E761-E765 WeakPolarHBondContact O-CG 3.26Å; E761-E765 PolarHBondContact O-N 2.87Å; E761-R1327 VanDerWaalsContact CB-CD 3.47Å; E761-R1327 HydrophobicContact CB-CG 4.35Å; E761-R1327 WeakPolarHBondContact OE2-CG 3.18Å |
| 762 | H | 84.8 | Confident | 85.9 | Confident | 90 Ų | 90 | 38.9 Ų | 38.9 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 177.9 | -176.3 | 8.6 | 0 | 0 | 0 | 113.4 | Y758 L759 R760 E766 R1327 | Y758-H762 PolarHBondContact O-N 3.46Å; L759-H762 PolarHBondContact O-N 3.35Å; R760-H762 VanDerWaalsContact C-N 3.34Å; R760-H762 PolarHBondContact O-N 2.98Å; H762-E766 PolarHBondContact O-N 3.48Å; H762-R1327 PolarHBondContact ND1-NH2 3.39Å |
| 763 | V | 83.4 | Confident | 85.4 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 28% | 0.279 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.7 | -40 | 177.7 | 159.2 | 0 | 0 | 0 | 0 | 111.9 | W701 L759 R760 E761 Y767 | W701-V763 HydrophobicContact CE3-CG1 3.52Å; W701-V763 HydrophobicContact CZ3-CG1 3.62Å; W701-V763 HydrophobicContact CZ3-CG2 4.45Å; L759-V763 WeakPolarHBondContact O-CG2 3.09Å; L759-V763 PolarHBondContact O-N 2.95Å; R760-V763 PolarHBondContact O-N 3.11Å; E761-V763 VanDerWaalsContact C-N 3.32Å; E761-V763 PolarHBondContact O-N 3.39Å; V763-Y767 PolarHBondContact O-N 2.9Å; V763-Y767 VanDerWaalsContact O-N 3.11Å |
| 764 | L | 81.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -80.8 | -32.7 | -175.5 | -68.4 | 170 | 0 | 0 | 0 | 113.4 | R760 E761 E766 Y767 A768 P819 | R760-L764 HydrophobicContact CG-CD1 3.61Å; R760-L764 HydrophobicContact CG-CG 4.32Å; R760-L764 WeakPolarHBondContact O-CB 3.46Å; R760-L764 WeakPolarHBondContact O-CG 3.48Å; R760-L764 PolarHBondContact O-N 3.34Å; E761-L764 PolarHBondContact O-N 2.97Å; L764-E766 VanDerWaalsContact C-N 3.31Å; L764-Y767 PolarHBondContact O-N 2.87Å; L764-A768 VanDerWaalsContact O-CB 3.24Å; L764-A768 WeakPolarHBondContact O-CB 3.31Å; L764-A768 PolarHBondContact O-N 2.95Å; L764-P819 HydrophobicContact CD1-CB 3.55Å; L764-P819 HydrophobicContact CD1-CG 3.56Å |
| 765 | E | 80.7 | Confident | 84.9 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.8 | -49 | 166.2 | -74.7 | 169.6 | -167.6 | 0 | 0 | 110.8 | E761 Y767 Y769 R1327 | E761-E765 WeakPolarHBondContact O-CG 3.26Å; E761-E765 PolarHBondContact O-N 2.87Å; E765-Y767 PolarHBondContact O-N 3.42Å; E765-Y769 WeakPolarHBondContact O-CB 3.29Å; E765-Y769 PolarHBondContact O-N 3.11Å; E765-R1327 VanDerWaalsContact CD-CZ 3.47Å; E765-R1327 WeakPolarHBondContact OE1-CD 3.15Å; E765-R1327 IonicContact OE1-CZ 2.82Å; E765-R1327 VanDerWaalsContact OE1-CZ 3.24Å; E765-R1327 IonicContact OE1-NE 3.65Å; E765-R1327 IonicContact OE1-NH1 2.68Å; E765-R1327 PolarHBondContact OE1-NH1 3.23Å; E765-R1327 IonicContact OE1-NH2 3.99Å; E765-R1327 IonicContact OE2-CZ 2.7Å; E765-R1327 IonicContact OE2-NE 3.58Å; E765-R1327 IonicContact OE2-NH1 3.55Å; E765-R1327 PolarHBondContact OE2-NH1 3.45Å; E765-R1327 IonicContact OE2-NH2 3.55Å; E765-R1327 PolarHBondContact OE2-NH2 2.84Å |
| 766 | E | 81.3 | Confident | 84.6 | Confident | 57 Ų | 57 | 39 Ų | 39 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.6 | -42.3 | -178.7 | -173.3 | 62.7 | -142.6 | 0 | 0 | 111.8 | H762 L764 Q770 R1316 | H762-E766 PolarHBondContact O-N 3.48Å; L764-E766 VanDerWaalsContact C-N 3.31Å; E766-Q770 VanDerWaalsContact O-CG 3.29Å; E766-Q770 WeakPolarHBondContact O-CG 3.5Å; E766-Q770 PolarHBondContact O-N 3.49Å; E766-Q770 PolarHBondContact OE1-NE2 2.87Å; E766-R1316 IonicContact OE1-CZ 3.71Å; E766-R1316 IonicContact OE1-NH2 2.74Å; E766-R1316 PolarHBondContact OE1-NH2 2.89Å; E766-R1316 IonicContact OE2-NH2 2.78Å; E766-R1316 PolarHBondContact OE2-NH2 3.45Å |
| 767 | Y | 83.5 | Confident | 84.4 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.4 | -52.2 | 176.5 | 167.9 | -99 | 0 | 0 | 0 | 112.7 | N698 W701 V763 L764 E765 Y769 Q770 Q771 L818 | N698-Y767 PolarHBondContact ND2-OH 3.06Å; N698-Y767 WeakPolarHBondContact OD1-CE2 3.09Å; W701-Y767 HydrophobicContact CB-CD2 4.42Å; W701-Y767 AromaticContact CD1-CD2 3.37Å; W701-Y767 AromaticContact CD1-CE2 3.84Å; W701-Y767 AromaticContact CG-CD2 3.91Å; W701-Y767 HydrophobicContact CG-CD2 3.91Å; W701-Y767 HydrophobicContact CG-CG 4.46Å; W701-Y767 AromaticContact NE1-CD2 3.73Å; V763-Y767 PolarHBondContact O-N 2.9Å; V763-Y767 VanDerWaalsContact O-N 3.11Å; L764-Y767 PolarHBondContact O-N 2.87Å; E765-Y767 PolarHBondContact O-N 3.42Å; Y767-Y769 VanDerWaalsContact C-N 3.34Å; Y767-Y769 PolarHBondContact O-N 2.67Å; Y767-Q770 PolarHBondContact O-N 3.01Å; Y767-Q771 HydrophobicContact CD2-CG 4.33Å; Y767-Q771 HydrophobicContact CE1-CG 4.32Å; Y767-Q771 HydrophobicContact CE2-CG 3.82Å; Y767-Q771 WeakPolarHBondContact O-CG 3.37Å; Y767-Q771 PolarHBondContact O-N 3.36Å; Y767-Q771 VanDerWaalsContact O-N 3.15Å; Y767-L818 HydrophobicContact CD1-CD1 4.16Å; Y767-L818 HydrophobicContact CE1-CD1 3.51Å |
| 768 | A | 83.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | L764 Q770 Q771 A772 E811 L814 H815 | L764-A768 VanDerWaalsContact O-CB 3.24Å; L764-A768 WeakPolarHBondContact O-CB 3.31Å; L764-A768 PolarHBondContact O-N 2.95Å; A768-Q770 PolarHBondContact O-N 2.86Å; A768-Q771 PolarHBondContact O-N 3.45Å; A768-A772 WeakPolarHBondContact O-CB 3.46Å; A768-A772 PolarHBondContact O-N 3.17Å; A768-E811 HydrophobicContact CB-CG 3.89Å; A768-L814 HydrophobicContact CB-CB 3.98Å; A768-H815 HydrophobicContact CB-CB 4Å |
| 769 | Y | 83.9 | Confident | 84.4 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.5 | 173.2 | -89.9 | 0 | 0 | 0 | 112.6 | E765 Y767 Q771 A772 K773 E1312 R1316 | E765-Y769 WeakPolarHBondContact O-CB 3.29Å; E765-Y769 PolarHBondContact O-N 3.11Å; Y767-Y769 VanDerWaalsContact C-N 3.34Å; Y767-Y769 PolarHBondContact O-N 2.67Å; Y769-Q771 PolarHBondContact O-N 3.32Å; Y769-A772 PolarHBondContact O-N 2.84Å; Y769-K773 HydrophobicContact CE1-CB 4.28Å; Y769-K773 HydrophobicContact CE1-CD 4.37Å; Y769-K773 WeakPolarHBondContact O-CB 3.41Å; Y769-K773 PolarHBondContact O-N 2.84Å; Y769-E1312 WeakPolarHBondContact CE2-OE1 3.27Å; Y769-E1312 PolarHBondContact OH-OE1 3.5Å; Y769-R1316 HydrophobicContact CD2-CG 4.01Å; Y769-R1316 HydrophobicContact CE1-CG 4.22Å; Y769-R1316 HydrophobicContact CE2-CB 3.95Å; Y769-R1316 HydrophobicContact CE2-CG 3.66Å; Y769-R1316 HydrophobicContact CG-CG 4.41Å; Y769-R1316 VanDerWaalsContact CZ-CD 3.44Å |
| 770 | Q | 83.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 35.7 Ų | 35.7 | 42% | 0.416 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 179.5 | -76.2 | 179.2 | 25.6 | 0 | 0 | 111.7 | E766 Y767 A768 K773 D774 | E766-Q770 VanDerWaalsContact O-CG 3.29Å; E766-Q770 WeakPolarHBondContact O-CG 3.5Å; E766-Q770 PolarHBondContact O-N 3.49Å; E766-Q770 PolarHBondContact OE1-NE2 2.87Å; Y767-Q770 PolarHBondContact O-N 3.01Å; A768-Q770 PolarHBondContact O-N 2.86Å; Q770-K773 PolarHBondContact O-N 2.84Å; Q770-D774 PolarHBondContact O-N 3.33Å |
| 771 | Q | 83.5 | Confident | 84.3 | Confident | 69 Ų | 69 | 37.8 Ų | 37.8 | 32% | 0.322 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.7 | -65.1 | -66.5 | -13.2 | 0 | 0 | 112 | Y767 A768 Y769 D774 L775 L814 | Y767-Q771 HydrophobicContact CD2-CG 4.33Å; Y767-Q771 HydrophobicContact CE1-CG 4.32Å; Y767-Q771 HydrophobicContact CE2-CG 3.82Å; Y767-Q771 WeakPolarHBondContact O-CG 3.37Å; Y767-Q771 PolarHBondContact O-N 3.36Å; Y767-Q771 VanDerWaalsContact O-N 3.15Å; A768-Q771 PolarHBondContact O-N 3.45Å; Y769-Q771 PolarHBondContact O-N 3.32Å; Q771-D774 PolarHBondContact O-N 3.09Å; Q771-L775 VanDerWaalsContact O-CB 3.32Å; Q771-L775 WeakPolarHBondContact O-CB 3.45Å; Q771-L775 PolarHBondContact O-N 3.27Å; Q771-L814 HydrophobicContact CB-CD1 3.62Å; Q771-L814 HydrophobicContact CG-CD1 4.31Å |
| 772 | A | 84.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A768 Y769 L775 R776 I807 E811 | A768-A772 WeakPolarHBondContact O-CB 3.46Å; A768-A772 PolarHBondContact O-N 3.17Å; Y769-A772 PolarHBondContact O-N 2.84Å; A772-L775 PolarHBondContact O-N 2.92Å; A772-R776 WeakPolarHBondContact O-CB 3.49Å; A772-R776 PolarHBondContact O-N 3.38Å; A772-I807 HydrophobicContact CB-CG2 3.83Å; A772-I807 WeakPolarHBondContact O-CG2 3.48Å; A772-E811 HydrophobicContact CB-CB 3.84Å; A772-E811 HydrophobicContact CB-CG 4.13Å |
| 773 | K | 83.8 | Confident | 84.3 | Confident | 33 Ų | 33 | 32.2 Ų | 32.2 | 14% | 0.143 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 175.4 | -169 | -171 | 179.2 | -164 | 0 | 111.5 | Y769 Q770 L775 R776 G777 E1309 E1313 | Y769-K773 HydrophobicContact CE1-CB 4.28Å; Y769-K773 HydrophobicContact CE1-CD 4.37Å; Y769-K773 WeakPolarHBondContact O-CB 3.41Å; Y769-K773 PolarHBondContact O-N 2.84Å; Q770-K773 PolarHBondContact O-N 2.84Å; K773-L775 VanDerWaalsContact C-N 3.33Å; K773-L775 PolarHBondContact O-N 3.48Å; K773-R776 PolarHBondContact O-N 3.33Å; K773-G777 PolarHBondContact O-N 3.24Å; K773-E1309 WeakPolarHBondContact CE-OE2 3.41Å; K773-E1309 IonicContact NZ-OE2 3.5Å; K773-E1309 PolarHBondContact NZ-OE2 2.82Å; K773-E1313 IonicContact NZ-OE1 2.7Å; K773-E1313 PolarHBondContact NZ-OE1 3.12Å |
| 774 | D | 85.5 | Confident | 84.1 | Confident | 95 Ų | 95 | 31.2 Ų | 31.2 | 51% | 0.508 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.2 | -35.3 | 179.6 | -83.3 | -17.1 | 0 | 0 | 0 | 112.3 | Q770 Q771 Q778 | Q770-D774 PolarHBondContact O-N 3.33Å; Q771-D774 PolarHBondContact O-N 3.09Å; D774-Q778 VanDerWaalsContact O-CG 3.27Å; D774-Q778 WeakPolarHBondContact O-CG 3.13Å; D774-Q778 PolarHBondContact O-N 3.37Å; D774-Q778 PolarHBondContact O-NE2 3.41Å |
| 775 | L | 85.4 | Confident | 83.8 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.1 | -44.4 | 174.7 | -170 | 66 | 0 | 0 | 0 | 112 | Q771 A772 K773 G777 Q778 L779 I807 V810 M990 V993 L997 | Q771-L775 VanDerWaalsContact O-CB 3.32Å; Q771-L775 WeakPolarHBondContact O-CB 3.45Å; Q771-L775 PolarHBondContact O-N 3.27Å; A772-L775 PolarHBondContact O-N 2.92Å; K773-L775 VanDerWaalsContact C-N 3.33Å; K773-L775 PolarHBondContact O-N 3.48Å; L775-G777 PolarHBondContact O-N 3.09Å; L775-Q778 WeakPolarHBondContact O-CB 3.47Å; L775-Q778 PolarHBondContact O-N 3.24Å; L775-L779 WeakPolarHBondContact O-CB 3.31Å; L775-L779 PolarHBondContact O-N 3.28Å; L775-I807 HydrophobicContact CB-CD1 4.18Å; L775-I807 HydrophobicContact CD2-CD1 3.74Å; L775-I807 HydrophobicContact CG-CD1 3.73Å; L775-V810 HydrophobicContact CD2-CG1 3.88Å; L775-M990 HydrophobicContact CD2-CE 4.35Å; L775-M990 HydrophobicContact CD2-SD 4.02Å; L775-V993 HydrophobicContact CD1-CG1 4Å; L775-V993 HydrophobicContact CD2-CG1 4.05Å; L775-V993 HydrophobicContact CG-CG1 3.94Å; L775-L997 HydrophobicContact CD1-CD1 3.7Å |
| 776 | R | 86.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 39 Ų | 39 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 174 | -171.7 | 172.5 | -78.4 | 135.6 | -7.2 | 111.5 | A772 K773 Q778 L779 L780 A803 L804 I807 D808 E1312 | A772-R776 WeakPolarHBondContact O-CB 3.49Å; A772-R776 PolarHBondContact O-N 3.38Å; K773-R776 PolarHBondContact O-N 3.33Å; R776-Q778 VanDerWaalsContact C-N 3.33Å; R776-Q778 PolarHBondContact O-N 3.19Å; R776-L779 PolarHBondContact O-N 2.87Å; R776-L780 HydrophobicContact CG-CD1 4.11Å; R776-L780 HydrophobicContact CG-CG 4.4Å; R776-L780 WeakPolarHBondContact O-CB 3.39Å; R776-L780 WeakPolarHBondContact O-CG 3.5Å; R776-L780 PolarHBondContact O-N 2.93Å; R776-A803 PolarHBondContact NE-O 3.07Å; R776-L804 PolarHBondContact NH2-O 3.17Å; R776-L804 VanDerWaalsContact NH2-O 3.14Å; R776-I807 HydrophobicContact CB-CG1 4.16Å; R776-I807 HydrophobicContact CB-CG2 4.16Å; R776-I807 HydrophobicContact CG-CG1 4.47Å; R776-D808 IonicContact CZ-OD1 2.9Å; R776-D808 IonicContact NH2-OD1 3.56Å; R776-D808 PolarHBondContact NH2-OD1 3.3Å; R776-E1312 WeakPolarHBondContact CD-OE2 3.48Å; R776-E1312 IonicContact CZ-OE2 3.55Å; R776-E1312 IonicContact NE-OE2 2.65Å; R776-E1312 IonicContact NH1-OE2 2.62Å; R776-E1312 PolarHBondContact NH1-OE2 3.4Å |
| 777 | G | 85.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K773 L775 R781 | K773-G777 PolarHBondContact O-N 3.24Å; L775-G777 PolarHBondContact O-N 3.09Å; G777-R781 VanDerWaalsContact O-CB 3.27Å; G777-R781 WeakPolarHBondContact O-CB 3.33Å; G777-R781 WeakPolarHBondContact O-CG 3.28Å; G777-R781 PolarHBondContact O-N 2.92Å; G777-R781 PolarHBondContact O-NE 2.92Å |
| 778 | Q | 86.7 | Confident | 82.5 | Confident | 103 Ų | 103 | 37.4 Ų | 37.4 | 48% | 0.481 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 173.2 | -75.9 | 171 | 90.4 | 0 | 0 | 112 | D774 L775 R776 R781 K782 L997 | D774-Q778 VanDerWaalsContact O-CG 3.27Å; D774-Q778 WeakPolarHBondContact O-CG 3.13Å; D774-Q778 PolarHBondContact O-N 3.37Å; D774-Q778 PolarHBondContact O-NE2 3.41Å; L775-Q778 WeakPolarHBondContact O-CB 3.47Å; L775-Q778 PolarHBondContact O-N 3.24Å; R776-Q778 VanDerWaalsContact C-N 3.33Å; R776-Q778 PolarHBondContact O-N 3.19Å; Q778-R781 PolarHBondContact O-N 2.97Å; Q778-K782 WeakPolarHBondContact O-CB 3.1Å; Q778-K782 PolarHBondContact O-N 2.6Å; Q778-L997 HydrophobicContact CB-CD2 4.06Å |
| 779 | L | 88.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | -179.3 | 179.4 | 61.2 | 0 | 0 | 0 | 112.5 | L775 R776 K782 I783 T802 A803 I807 V993 I996 L997 | L775-L779 WeakPolarHBondContact O-CB 3.31Å; L775-L779 PolarHBondContact O-N 3.28Å; R776-L779 PolarHBondContact O-N 2.87Å; L779-K782 VanDerWaalsContact O-CB 3.31Å; L779-K782 WeakPolarHBondContact O-CB 3.37Å; L779-K782 PolarHBondContact O-N 3.45Å; L779-I783 HydrophobicContact CD1-CD1 4.16Å; L779-I783 HydrophobicContact CG-CD1 4.02Å; L779-I783 WeakPolarHBondContact O-CD1 3.39Å; L779-I783 VanDerWaalsContact O-CG1 3.32Å; L779-I783 WeakPolarHBondContact O-CG1 3.38Å; L779-I783 PolarHBondContact O-N 2.91Å; L779-T802 HydrophobicContact CD2-CG2 4.4Å; L779-A803 HydrophobicContact CD2-CB 3.94Å; L779-I807 HydrophobicContact CD2-CD1 4.33Å; L779-I807 HydrophobicContact CD2-CG1 4.46Å; L779-V993 HydrophobicContact CD2-CG1 4.28Å; L779-V993 HydrophobicContact CD2-CG2 4.25Å; L779-I996 HydrophobicContact CD1-CB 3.84Å; L779-I996 HydrophobicContact CD1-CD1 4.22Å; L779-I996 HydrophobicContact CD1-CG2 3.61Å; L779-L997 HydrophobicContact CB-CD2 4.37Å |
| 780 | L | 85.7 | Confident | 81.4 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 175.4 | -68.4 | 175.9 | 0 | 0 | 0 | 111 | R776 K782 I783 F784 A803 L1285 V1305 H1308 | R776-L780 HydrophobicContact CG-CD1 4.11Å; R776-L780 HydrophobicContact CG-CG 4.4Å; R776-L780 WeakPolarHBondContact O-CB 3.39Å; R776-L780 WeakPolarHBondContact O-CG 3.5Å; R776-L780 PolarHBondContact O-N 2.93Å; L780-K782 PolarHBondContact O-N 3.07Å; L780-I783 PolarHBondContact O-N 3.06Å; L780-I783 VanDerWaalsContact O-N 3.13Å; L780-F784 WeakPolarHBondContact O-CD2 3.44Å; L780-F784 PolarHBondContact O-N 3.05Å; L780-A803 HydrophobicContact CD2-CB 4.48Å; L780-L1285 HydrophobicContact CD2-CD1 3.8Å; L780-V1305 HydrophobicContact CB-CG2 4.13Å; L780-H1308 HydrophobicContact CD1-CB 4.38Å |
| 781 | R | 85.4 | Confident | 80.9 | Confident | 71 Ų | 71 | 38.4 Ų | 38.4 | 27% | 0.268 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.8 | -33.6 | 175.4 | -73.1 | -179.7 | -73.7 | -99.1 | 6.7 | 112 | G777 Q778 R785 V1305 E1309 | G777-R781 VanDerWaalsContact O-CB 3.27Å; G777-R781 WeakPolarHBondContact O-CB 3.33Å; G777-R781 WeakPolarHBondContact O-CG 3.28Å; G777-R781 PolarHBondContact O-N 2.92Å; G777-R781 PolarHBondContact O-NE 2.92Å; Q778-R781 PolarHBondContact O-N 2.97Å; R781-R785 WeakPolarHBondContact O-CG 3.49Å; R781-R785 PolarHBondContact O-N 3.39Å; R781-V1305 HydrophobicContact CG-CG1 4.37Å; R781-V1305 HydrophobicContact CG-CG2 4.24Å; R781-E1309 IonicContact NH1-OE1 3.6Å; R781-E1309 PolarHBondContact NH1-OE1 2.92Å |
| 782 | K | 85.4 | Confident | 80.1 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.6 | -49.5 | 173.2 | -166 | 80.2 | -177 | -167.9 | 0 | 111.6 | Q778 L779 L780 F784 R785 L786 I996 L997 L999 E1001 | Q778-K782 WeakPolarHBondContact O-CB 3.1Å; Q778-K782 PolarHBondContact O-N 2.6Å; L779-K782 VanDerWaalsContact O-CB 3.31Å; L779-K782 WeakPolarHBondContact O-CB 3.37Å; L779-K782 PolarHBondContact O-N 3.45Å; L780-K782 PolarHBondContact O-N 3.07Å; K782-F784 PolarHBondContact O-N 3.06Å; K782-R785 PolarHBondContact O-N 3.37Å; K782-R785 VanDerWaalsContact O-N 3.09Å; K782-L786 HydrophobicContact CG-CD1 3.87Å; K782-L786 HydrophobicContact CG-CG 4.37Å; K782-L786 WeakPolarHBondContact O-CG 3.37Å; K782-L786 PolarHBondContact O-N 2.92Å; K782-I996 HydrophobicContact CG-CG2 4.45Å; K782-L997 HydrophobicContact CB-CD2 4.08Å; K782-L997 WeakPolarHBondContact CE-O 3.49Å; K782-L997 HydrophobicContact CG-CD2 4.36Å; K782-L997 PolarHBondContact NZ-O 3.43Å; K782-L999 WeakPolarHBondContact CE-O 3.21Å; K782-L999 PolarHBondContact NZ-O 3.25Å; K782-E1001 WeakPolarHBondContact CD-OE1 3.49Å; K782-E1001 WeakPolarHBondContact CE-OE1 3.08Å; K782-E1001 IonicContact NZ-OE1 3.67Å; K782-E1001 PolarHBondContact NZ-OE1 3.23Å |
| 783 | I | 82.8 | Confident | 79.3 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 179.9 | -67.9 | 158.3 | 0 | 0 | 0 | 111 | L779 L780 R785 L786 G787 V790 V791 V799 I996 | L779-I783 HydrophobicContact CD1-CD1 4.16Å; L779-I783 HydrophobicContact CG-CD1 4.02Å; L779-I783 WeakPolarHBondContact O-CD1 3.39Å; L779-I783 VanDerWaalsContact O-CG1 3.32Å; L779-I783 WeakPolarHBondContact O-CG1 3.38Å; L779-I783 PolarHBondContact O-N 2.91Å; L780-I783 PolarHBondContact O-N 3.06Å; L780-I783 VanDerWaalsContact O-N 3.13Å; I783-R785 VanDerWaalsContact C-N 3.3Å; I783-R785 PolarHBondContact O-N 3.11Å; I783-L786 PolarHBondContact O-N 3.14Å; I783-G787 PolarHBondContact O-N 3Å; I783-V790 HydrophobicContact CG1-CG1 4.45Å; I783-V790 HydrophobicContact CG2-CG1 4.18Å; I783-V791 HydrophobicContact CG2-CG2 4.48Å; I783-V799 HydrophobicContact CD1-CG1 3.58Å; I783-V799 HydrophobicContact CG1-CG1 4.18Å; I783-I996 HydrophobicContact CG1-CG2 4.5Å |
| 784 | F | 78 | Confident | 78.7 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 11% | 0.114 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -28.6 | 176.5 | -74 | -70.7 | 0 | 0 | 0 | 114 | L780 K782 V1292 W1295 I1296 Y1304 V1305 | L780-F784 WeakPolarHBondContact O-CD2 3.44Å; L780-F784 PolarHBondContact O-N 3.05Å; K782-F784 PolarHBondContact O-N 3.06Å; F784-V1292 HydrophobicContact CD1-CG2 3.79Å; F784-V1292 HydrophobicContact CE1-CG2 3.76Å; F784-W1295 HydrophobicContact CD1-CB 4.43Å; F784-W1295 HydrophobicContact CE1-CB 3.84Å; F784-W1295 HydrophobicContact CE1-CG 4.35Å; F784-I1296 HydrophobicContact CD1-CG1 4.46Å; F784-Y1304 HydrophobicContact CE1-CD1 4.5Å; F784-Y1304 AromaticContact CE2-CD1 3.38Å; F784-Y1304 HydrophobicContact CE2-CD1 3.38Å; F784-Y1304 AromaticContact CE2-CE1 3.85Å; F784-Y1304 HydrophobicContact CE2-CE1 3.85Å; F784-Y1304 HydrophobicContact CE2-CG 4.4Å; F784-Y1304 AromaticContact CZ-CD1 3.3Å; F784-Y1304 HydrophobicContact CZ-CD1 3.3Å; F784-Y1304 AromaticContact CZ-CE1 3.82Å; F784-Y1304 HydrophobicContact CZ-CE1 3.82Å; F784-Y1304 HydrophobicContact CZ-CG 4.01Å; F784-V1305 HydrophobicContact CD2-CG2 4.17Å; F784-V1305 HydrophobicContact CE2-CG2 4.2Å |
| 785 | R | 76 | Confident | 77.9 | Confident | 151 Ų | 151 | 49.7 Ų | 49.7 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -79.8 | -33.6 | 174.8 | -71.8 | -179.3 | -169.7 | 170.8 | 4.5 | 113.6 | R781 K782 I783 G787 E1001 | R781-R785 WeakPolarHBondContact O-CG 3.49Å; R781-R785 PolarHBondContact O-N 3.39Å; K782-R785 PolarHBondContact O-N 3.37Å; K782-R785 VanDerWaalsContact O-N 3.09Å; I783-R785 VanDerWaalsContact C-N 3.3Å; I783-R785 PolarHBondContact O-N 3.11Å; R785-G787 VanDerWaalsContact C-N 3.33Å; R785-E1001 WeakPolarHBondContact CD-OE2 3.38Å; R785-E1001 IonicContact CZ-OE2 3.01Å; R785-E1001 IonicContact NE-OE2 3.94Å; R785-E1001 IonicContact NH1-OE1 3.8Å; R785-E1001 IonicContact NH1-OE2 2.67Å; R785-E1001 PolarHBondContact NH1-OE2 3.3Å |
| 786 | L | 77 | Confident | 77.2 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77.6 | -21.1 | 174.9 | -65.3 | 173 | 0 | 0 | 0 | 112.3 | K782 I783 V790 I996 L999 | K782-L786 HydrophobicContact CG-CD1 3.87Å; K782-L786 HydrophobicContact CG-CG 4.37Å; K782-L786 WeakPolarHBondContact O-CG 3.37Å; K782-L786 PolarHBondContact O-N 2.92Å; I783-L786 PolarHBondContact O-N 3.14Å; L786-V790 HydrophobicContact CB-CB 4Å; L786-V790 HydrophobicContact CB-CG1 3.97Å; L786-V790 HydrophobicContact CD1-CB 4.13Å; L786-V790 HydrophobicContact CD1-CG1 4.37Å; L786-V790 HydrophobicContact CD1-CG2 4.01Å; L786-I996 HydrophobicContact CD1-CG2 4.48Å; L786-L999 HydrophobicContact CD1-CB 4Å; L786-L999 HydrophobicContact CD1-CD1 3.69Å; L786-L999 HydrophobicContact CD1-CG 4.49Å; L786-L999 HydrophobicContact CD2-CB 4.24Å |
| 787 | G | 71.2 | Confident | 76.4 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -167.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I783 R785 Q789 V790 | I783-G787 PolarHBondContact O-N 3Å; R785-G787 VanDerWaalsContact C-N 3.33Å; G787-Q789 PolarHBondContact O-N 3.28Å; G787-V790 PolarHBondContact O-N 2.74Å |
| 788 | P | 70.7 | Confident | 75.9 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 16% | 0.156 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -15.4 | -174 | 22.4 | -32.9 | 0 | 0 | 0 | 114.6 | V790 V791 Q792 F1064 V1292 | P788-V790 PolarHBondContact O-N 3.34Å; P788-V791 PolarHBondContact O-N 3.03Å; P788-Q792 WeakPolarHBondContact O-CG 3.25Å; P788-Q792 PolarHBondContact O-N 3.26Å; P788-F1064 HydrophobicContact CG-CD2 4.37Å; P788-V1292 HydrophobicContact CB-CG1 3.96Å |
| 789 | Q | 69.7 | Low | 75.6 | Confident | 106 Ų | 106 | 50.7 Ų | 50.7 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 177.8 | -61.4 | -171 | 32.7 | 0 | 0 | 113 | G787 V791 Q792 K793 F1064 | G787-Q789 PolarHBondContact O-N 3.28Å; Q789-V791 VanDerWaalsContact C-N 3.34Å; Q789-Q792 PolarHBondContact O-N 2.82Å; Q789-K793 VanDerWaalsContact O-CB 3.32Å; Q789-K793 WeakPolarHBondContact O-CB 3.41Å; Q789-K793 PolarHBondContact O-N 3.28Å; Q789-F1064 PolarHBondContact NE2-O 3.24Å |
| 790 | V | 73.4 | Confident | 75.2 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70 | -36 | 179.2 | 75.3 | 0 | 0 | 0 | 0 | 111.3 | I783 L786 G787 P788 K793 Q794 I996 L999 | I783-V790 HydrophobicContact CG1-CG1 4.45Å; I783-V790 HydrophobicContact CG2-CG1 4.18Å; L786-V790 HydrophobicContact CB-CB 4Å; L786-V790 HydrophobicContact CB-CG1 3.97Å; L786-V790 HydrophobicContact CD1-CB 4.13Å; L786-V790 HydrophobicContact CD1-CG1 4.37Å; L786-V790 HydrophobicContact CD1-CG2 4.01Å; G787-V790 PolarHBondContact O-N 2.74Å; P788-V790 PolarHBondContact O-N 3.34Å; V790-K793 PolarHBondContact O-N 3.18Å; V790-Q794 HydrophobicContact CG2-CG 4.26Å; V790-Q794 WeakPolarHBondContact O-CB 3.21Å; V790-Q794 PolarHBondContact O-N 3.12Å; V790-I996 HydrophobicContact CG2-CG2 4.5Å; V790-L999 HydrophobicContact CG2-CD1 3.87Å |
| 791 | V | 72.8 | Confident | 74.9 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.2 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | I783 P788 Q789 G795 T796 V1289 | I783-V791 HydrophobicContact CG2-CG2 4.48Å; P788-V791 PolarHBondContact O-N 3.03Å; Q789-V791 VanDerWaalsContact C-N 3.34Å; V791-G795 CarbonylContact O-C 3.52Å; V791-G795 VanDerWaalsContact O-CA 3.22Å; V791-G795 WeakPolarHBondContact O-CA 3.4Å; V791-G795 PolarHBondContact O-N 3.12Å; V791-T796 HydrophobicContact CG1-CG2 4.12Å; V791-T796 PolarHBondContact O-N 2.73Å; V791-V1289 HydrophobicContact CB-CG1 4.41Å; V791-V1289 HydrophobicContact CG1-CG1 3.6Å; V791-V1289 HydrophobicContact CG2-CG1 3.84Å |
| 792 | Q | 66.5 | Low | 74.9 | Confident | 161 Ų | 161 | 51.1 Ų | 51.1 | 75% | 0.752 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.1 | -36 | 175.5 | -71.7 | 175.6 | -1.7 | 0 | 0 | 112.9 | P788 Q789 | P788-Q792 WeakPolarHBondContact O-CG 3.25Å; P788-Q792 PolarHBondContact O-N 3.26Å; Q789-Q792 PolarHBondContact O-N 2.82Å |
| 793 | K | 68.6 | Low | 74.8 | Confident | 176 Ų | 176 | 50.3 Ų | 50.3 | 77% | 0.765 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -80.2 | -39.5 | -176.3 | -172.4 | 179 | 178.3 | -173.8 | 0 | 114 | Q789 V790 | Q789-K793 VanDerWaalsContact O-CB 3.32Å; Q789-K793 WeakPolarHBondContact O-CB 3.41Å; Q789-K793 PolarHBondContact O-N 3.28Å; V790-K793 PolarHBondContact O-N 3.18Å |
| 794 | Q | 70.2 | Confident | 74.7 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -90.9 | -15.5 | 178.5 | -63.9 | -70.3 | 29.2 | 0 | 0 | 112.9 | V790 S798 V799 | V790-Q794 HydrophobicContact CG2-CG 4.26Å; V790-Q794 WeakPolarHBondContact O-CB 3.21Å; V790-Q794 PolarHBondContact O-N 3.12Å; Q794-S798 WeakPolarHBondContact O-CB 3.46Å; Q794-V799 HydrophobicContact CB-CG2 3.79Å |
| 795 | G | 69.4 | Low | 74.9 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 32% | 0.32 | 27% | 0.274 | S | S | . | . | trans | 82.9 | 133 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V791 G797 S798 V799 | V791-G795 CarbonylContact O-C 3.52Å; V791-G795 VanDerWaalsContact O-CA 3.22Å; V791-G795 WeakPolarHBondContact O-CA 3.4Å; V791-G795 PolarHBondContact O-N 3.12Å; G795-G797 VanDerWaalsContact C-N 3.31Å; G795-G797 PolarHBondContact O-N 2.99Å; G795-S798 WeakPolarHBondContact O-CB 3.47Å; G795-S798 PolarHBondContact O-N 3.24Å; G795-V799 PolarHBondContact O-N 3.43Å | ||
| 796 | T | 72 | Confident | 75.3 | Confident | 46 Ų | 46 | 44 Ų | 44 | 28% | 0.282 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -51.9 | -46.4 | -174.7 | -44.3 | 0 | 0 | 0 | 0 | 113 | V791 S798 V799 V800 V1289 L1290 | V791-T796 HydrophobicContact CG1-CG2 4.12Å; V791-T796 PolarHBondContact O-N 2.73Å; T796-S798 VanDerWaalsContact C-N 3.31Å; T796-S798 PolarHBondContact O-N 2.86Å; T796-V799 PolarHBondContact O-N 3.22Å; T796-V800 WeakPolarHBondContact O-CG2 3.26Å; T796-V800 PolarHBondContact O-N 3.1Å; T796-V1289 HydrophobicContact CG2-CG1 3.99Å; T796-L1290 HydrophobicContact CG2-CD2 3.91Å; T796-L1290 HydrophobicContact CG2-CG 4.24Å |
| 797 | G | 69.2 | Low | 75.8 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -33.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G795 T801 | G795-G797 VanDerWaalsContact C-N 3.31Å; G795-G797 PolarHBondContact O-N 2.99Å; G797-T801 WeakPolarHBondContact O-CB 3.46Å; G797-T801 PolarHBondContact O-N 3.23Å; G797-T801 VanDerWaalsContact O-N 3.07Å; G797-T801 PolarHBondContact O-OG1 3.48Å |
| 798 | S | 74.8 | Confident | 76.4 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.3 | -53.9 | 175.3 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | Q794 G795 T796 V800 T801 T802 | Q794-S798 WeakPolarHBondContact O-CB 3.46Å; G795-S798 WeakPolarHBondContact O-CB 3.47Å; G795-S798 PolarHBondContact O-N 3.24Å; T796-S798 VanDerWaalsContact C-N 3.31Å; T796-S798 PolarHBondContact O-N 2.86Å; S798-V800 VanDerWaalsContact C-N 3.33Å; S798-V800 PolarHBondContact O-N 3.01Å; S798-T801 PolarHBondContact O-N 3.35Å; S798-T802 PolarHBondContact O-N 3.07Å; S798-T802 PolarHBondContact O-OG1 3.17Å; S798-T802 VanDerWaalsContact O-OG1 3.12Å |
| 799 | V | 80.5 | Confident | 77 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -42.1 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | I783 Q794 G795 T796 A803 | I783-V799 HydrophobicContact CD1-CG1 3.58Å; I783-V799 HydrophobicContact CG1-CG1 4.18Å; Q794-V799 HydrophobicContact CB-CG2 3.79Å; G795-V799 PolarHBondContact O-N 3.43Å; T796-V799 PolarHBondContact O-N 3.22Å; V799-A803 WeakPolarHBondContact O-CB 3.49Å; V799-A803 PolarHBondContact O-N 2.99Å; V799-A803 VanDerWaalsContact O-N 3.12Å |
| 800 | V | 80.7 | Confident | 77.8 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | T796 S798 L804 Y1282 L1285 V1289 | T796-V800 WeakPolarHBondContact O-CG2 3.26Å; T796-V800 PolarHBondContact O-N 3.1Å; S798-V800 VanDerWaalsContact C-N 3.33Å; S798-V800 PolarHBondContact O-N 3.01Å; V800-L804 HydrophobicContact CG1-CD1 4.22Å; V800-L804 PolarHBondContact O-N 3.22Å; V800-Y1282 HydrophobicContact CG1-CD1 4.1Å; V800-L1285 HydrophobicContact CG1-CD2 4.28Å; V800-L1285 HydrophobicContact CG2-CG 4.39Å; V800-V1289 HydrophobicContact CG2-CB 4.4Å; V800-V1289 HydrophobicContact CG2-CG1 4.46Å; V800-V1289 HydrophobicContact CG2-CG2 4.46Å |
| 801 | T | 79.5 | Confident | 78.5 | Confident | 67 Ų | 67 | 43 Ų | 43 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.7 | -45 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | G797 S798 A803 L804 D805 G806 | G797-T801 WeakPolarHBondContact O-CB 3.46Å; G797-T801 PolarHBondContact O-N 3.23Å; G797-T801 VanDerWaalsContact O-N 3.07Å; G797-T801 PolarHBondContact O-OG1 3.48Å; S798-T801 PolarHBondContact O-N 3.35Å; T801-A803 VanDerWaalsContact C-N 3.35Å; T801-A803 PolarHBondContact O-N 3.17Å; T801-L804 PolarHBondContact O-N 3.39Å; T801-D805 HydrophobicContact CG2-CB 4.18Å; T801-D805 PolarHBondContact O-N 3.23Å; T801-G806 PolarHBondContact O-N 3.36Å |
| 802 | T | 84 | Confident | 79 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -62.5 | -39.2 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 112 | L779 S798 G806 I807 D992 V993 I996 | L779-T802 HydrophobicContact CD2-CG2 4.4Å; S798-T802 PolarHBondContact O-N 3.07Å; S798-T802 PolarHBondContact O-OG1 3.17Å; S798-T802 VanDerWaalsContact O-OG1 3.12Å; T802-G806 VanDerWaalsContact O-CA 3.29Å; T802-G806 WeakPolarHBondContact O-CA 3.36Å; T802-G806 PolarHBondContact O-N 3.32Å; T802-I807 PolarHBondContact O-N 3.44Å; T802-D992 HydrophobicContact CG2-CB 4.24Å; T802-V993 HydrophobicContact CG2-CB 4.48Å; T802-V993 HydrophobicContact CG2-CG2 3.64Å; T802-I996 HydrophobicContact CG2-CD1 4.33Å |
| 803 | A | 83.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -76 | -24.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R776 L779 L780 V799 T801 I807 L1285 | R776-A803 PolarHBondContact NE-O 3.07Å; L779-A803 HydrophobicContact CD2-CB 3.94Å; L780-A803 HydrophobicContact CD2-CB 4.48Å; V799-A803 WeakPolarHBondContact O-CB 3.49Å; V799-A803 PolarHBondContact O-N 2.99Å; V799-A803 VanDerWaalsContact O-N 3.12Å; T801-A803 VanDerWaalsContact C-N 3.35Å; T801-A803 PolarHBondContact O-N 3.17Å; A803-I807 WeakPolarHBondContact O-CG1 3.37Å; A803-L1285 HydrophobicContact CB-CD2 3.98Å |
| 804 | L | 81.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -99.5 | -79.6 | 176.1 | -66.8 | 173 | 0 | 0 | 0 | 110.8 | R776 V800 T801 G806 I807 D808 L1281 Y1282 L1285 | R776-L804 PolarHBondContact NH2-O 3.17Å; R776-L804 VanDerWaalsContact NH2-O 3.14Å; V800-L804 HydrophobicContact CG1-CD1 4.22Å; V800-L804 PolarHBondContact O-N 3.22Å; T801-L804 PolarHBondContact O-N 3.39Å; L804-G806 PolarHBondContact O-N 3.5Å; L804-I807 PolarHBondContact O-N 3.42Å; L804-D808 PolarHBondContact O-N 3.11Å; L804-L1281 HydrophobicContact CD2-CD2 3.71Å; L804-L1281 HydrophobicContact CD2-CG 4.07Å; L804-Y1282 HydrophobicContact CB-CE1 4.16Å; L804-Y1282 HydrophobicContact CD1-CD1 3.27Å; L804-Y1282 HydrophobicContact CD1-CE1 3.69Å; L804-Y1282 HydrophobicContact CD1-CG 3.81Å; L804-L1285 HydrophobicContact CD1-CB 4.3Å; L804-L1285 HydrophobicContact CD1-CD2 3.7Å; L804-L1285 HydrophobicContact CD2-CD2 4.11Å; L804-L1285 HydrophobicContact CG-CD2 3.58Å |
| 805 | D | 81 | Confident | 81 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -66.5 | -35.1 | -176.1 | -62.4 | -59 | 0 | 0 | 0 | 113.4 | T801 I807 D808 Q809 K1278 Y1282 | T801-D805 HydrophobicContact CG2-CB 4.18Å; T801-D805 PolarHBondContact O-N 3.23Å; D805-I807 VanDerWaalsContact C-N 3.35Å; D805-I807 PolarHBondContact O-N 2.95Å; D805-D808 PolarHBondContact O-N 2.71Å; D805-Q809 WeakPolarHBondContact O-CB 3.02Å; D805-Q809 VanDerWaalsContact O-CG 3.29Å; D805-Q809 WeakPolarHBondContact O-CG 3.32Å; D805-Q809 PolarHBondContact O-N 3.42Å; D805-K1278 IonicContact OD1-NZ 3.73Å; D805-K1278 PolarHBondContact OD1-NZ 2.91Å; D805-Y1282 PolarHBondContact OD1-OH 2.92Å; D805-Y1282 WeakPolarHBondContact OD2-CE1 3.25Å; D805-Y1282 PolarHBondContact OD2-OH 2.85Å |
| 806 | G | 84 | Confident | 81.6 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -62.1 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | T801 T802 L804 V810 A989 | T801-G806 PolarHBondContact O-N 3.36Å; T802-G806 VanDerWaalsContact O-CA 3.29Å; T802-G806 WeakPolarHBondContact O-CA 3.36Å; T802-G806 PolarHBondContact O-N 3.32Å; L804-G806 PolarHBondContact O-N 3.5Å; G806-V810 WeakPolarHBondContact O-CG2 3.03Å; G806-V810 PolarHBondContact O-N 2.93Å; G806-V810 VanDerWaalsContact O-N 3.12Å; G806-A989 VanDerWaalsContact O-CB 3.31Å; G806-A989 WeakPolarHBondContact O-CB 3.16Å |
| 807 | I | 87.3 | Confident | 82 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.2 | -40.3 | 173.4 | -59.4 | -66.1 | 0 | 0 | 0 | 111.6 | A772 L775 R776 L779 T802 A803 L804 D805 Q809 V810 E811 V993 | A772-I807 HydrophobicContact CB-CG2 3.83Å; A772-I807 WeakPolarHBondContact O-CG2 3.48Å; L775-I807 HydrophobicContact CB-CD1 4.18Å; L775-I807 HydrophobicContact CD2-CD1 3.74Å; L775-I807 HydrophobicContact CG-CD1 3.73Å; R776-I807 HydrophobicContact CB-CG1 4.16Å; R776-I807 HydrophobicContact CB-CG2 4.16Å; R776-I807 HydrophobicContact CG-CG1 4.47Å; L779-I807 HydrophobicContact CD2-CD1 4.33Å; L779-I807 HydrophobicContact CD2-CG1 4.46Å; T802-I807 PolarHBondContact O-N 3.44Å; A803-I807 WeakPolarHBondContact O-CG1 3.37Å; L804-I807 PolarHBondContact O-N 3.42Å; D805-I807 VanDerWaalsContact C-N 3.35Å; D805-I807 PolarHBondContact O-N 2.95Å; I807-Q809 VanDerWaalsContact C-N 3.29Å; I807-Q809 PolarHBondContact O-N 2.97Å; I807-V810 CarbonylContact O-C 3.57Å; I807-V810 WeakPolarHBondContact O-CA 3.47Å; I807-V810 WeakPolarHBondContact O-CB 3.19Å; I807-V810 PolarHBondContact O-N 3.12Å; I807-E811 PolarHBondContact O-N 3.49Å; I807-V993 HydrophobicContact CD1-CG1 4.19Å; I807-V993 HydrophobicContact CD1-CG2 3.88Å |
| 808 | D | 85.2 | Confident | 82.4 | Confident | 55 Ų | 55 | 31.3 Ų | 31.3 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -38.5 | 177.7 | -69.7 | -6.5 | 0 | 0 | 0 | 111.3 | R776 L804 D805 E811 E812 K1278 | R776-D808 IonicContact CZ-OD1 2.9Å; R776-D808 IonicContact NH2-OD1 3.56Å; R776-D808 PolarHBondContact NH2-OD1 3.3Å; L804-D808 PolarHBondContact O-N 3.11Å; D805-D808 PolarHBondContact O-N 2.71Å; D808-E811 WeakPolarHBondContact O-CB 3.06Å; D808-E811 PolarHBondContact O-N 3.27Å; D808-E812 PolarHBondContact O-N 3.21Å; D808-K1278 IonicContact OD2-NZ 2.65Å; D808-K1278 PolarHBondContact OD2-NZ 3Å |
| 809 | Q | 83.8 | Confident | 82.7 | Confident | 76 Ų | 76 | 29.1 Ų | 29.1 | 36% | 0.355 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.7 | -32.9 | 173.3 | -71.4 | 176.1 | -0.8 | 0 | 0 | 112.5 | D805 I807 E812 Y813 G986 A989 | D805-Q809 WeakPolarHBondContact O-CB 3.02Å; D805-Q809 VanDerWaalsContact O-CG 3.29Å; D805-Q809 WeakPolarHBondContact O-CG 3.32Å; D805-Q809 PolarHBondContact O-N 3.42Å; I807-Q809 VanDerWaalsContact C-N 3.29Å; I807-Q809 PolarHBondContact O-N 2.97Å; Q809-E812 PolarHBondContact O-N 3.08Å; Q809-Y813 WeakPolarHBondContact O-CB 3.41Å; Q809-Y813 PolarHBondContact O-N 3.05Å; Q809-G986 VanDerWaalsContact O-CA 3.29Å; Q809-G986 WeakPolarHBondContact O-CA 3.32Å; Q809-A989 HydrophobicContact CB-CB 4.08Å |
| 810 | V | 85.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.8 | -38.9 | 171.5 | 166.8 | 0 | 0 | 0 | 0 | 111.7 | L775 G806 I807 Y813 L814 A989 M990 | L775-V810 HydrophobicContact CD2-CG1 3.88Å; G806-V810 WeakPolarHBondContact O-CG2 3.03Å; G806-V810 PolarHBondContact O-N 2.93Å; G806-V810 VanDerWaalsContact O-N 3.12Å; I807-V810 CarbonylContact O-C 3.57Å; I807-V810 WeakPolarHBondContact O-CA 3.47Å; I807-V810 WeakPolarHBondContact O-CB 3.19Å; I807-V810 PolarHBondContact O-N 3.12Å; V810-Y813 PolarHBondContact O-N 2.94Å; V810-L814 HydrophobicContact CG1-CD1 4.16Å; V810-L814 HydrophobicContact CG1-CG 4.47Å; V810-L814 WeakPolarHBondContact O-CG 3.19Å; V810-L814 PolarHBondContact O-N 2.88Å; V810-A989 HydrophobicContact CG2-CB 4.31Å; V810-M990 HydrophobicContact CB-CE 4.45Å; V810-M990 HydrophobicContact CG1-CE 3.46Å; V810-M990 VanDerWaalsContact CG1-CE 3.46Å; V810-M990 HydrophobicContact CG1-SD 4.46Å; V810-M990 HydrophobicContact CG2-CB 3.96Å; V810-M990 HydrophobicContact CG2-CE 4.09Å; V810-M990 HydrophobicContact CG2-SD 4.33Å |
| 811 | E | 88 | Confident | 82.9 | Confident | 37 Ų | 37 | 34.1 Ų | 34.1 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 172.5 | -168.6 | -178.7 | 136.6 | 0 | 0 | 110.5 | A768 A772 I807 D808 Y813 L814 H815 | A768-E811 HydrophobicContact CB-CG 3.89Å; A772-E811 HydrophobicContact CB-CB 3.84Å; A772-E811 HydrophobicContact CB-CG 4.13Å; I807-E811 PolarHBondContact O-N 3.49Å; D808-E811 WeakPolarHBondContact O-CB 3.06Å; D808-E811 PolarHBondContact O-N 3.27Å; E811-Y813 PolarHBondContact O-N 3.5Å; E811-L814 PolarHBondContact O-N 3.4Å; E811-H815 WeakPolarHBondContact O-CB 3.44Å; E811-H815 PolarHBondContact O-N 2.83Å |
| 812 | E | 82.7 | Confident | 83.2 | Confident | 98 Ų | 98 | 32.6 Ų | 32.6 | 46% | 0.458 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.5 | -178.4 | 162.9 | -151.3 | 0 | 0 | 112.3 | D808 Q809 L814 H815 L816 A982 | D808-E812 PolarHBondContact O-N 3.21Å; Q809-E812 PolarHBondContact O-N 3.08Å; E812-L814 PolarHBondContact O-N 3.01Å; E812-H815 PolarHBondContact O-N 3.04Å; E812-L816 HydrophobicContact CG-CD1 3.59Å; E812-L816 HydrophobicContact CG-CG 4.15Å; E812-L816 WeakPolarHBondContact O-CB 3.28Å; E812-L816 VanDerWaalsContact O-CG 3.26Å; E812-L816 WeakPolarHBondContact O-CG 3.33Å; E812-L816 PolarHBondContact O-N 3.5Å; E812-A982 HydrophobicContact CG-CB 4.33Å |
| 813 | Y | 82.4 | Confident | 83.4 | Confident | 61 Ų | 61 | 32.6 Ų | 32.6 | 24% | 0.239 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 173.9 | 170 | -102.6 | 0 | 0 | 0 | 112 | Q809 V810 E811 H815 L816 I817 T983 | Q809-Y813 WeakPolarHBondContact O-CB 3.41Å; Q809-Y813 PolarHBondContact O-N 3.05Å; V810-Y813 PolarHBondContact O-N 2.94Å; E811-Y813 PolarHBondContact O-N 3.5Å; Y813-H815 VanDerWaalsContact C-N 3.35Å; Y813-H815 PolarHBondContact O-N 3Å; Y813-L816 PolarHBondContact O-N 2.7Å; Y813-I817 HydrophobicContact CD1-CG2 4.39Å; Y813-I817 HydrophobicContact CD2-CB 4.27Å; Y813-I817 HydrophobicContact CD2-CG2 4.5Å; Y813-I817 HydrophobicContact CE1-CG2 4.08Å; Y813-I817 HydrophobicContact CE2-CB 3.97Å; Y813-I817 HydrophobicContact CE2-CD1 4.26Å; Y813-I817 HydrophobicContact CE2-CG1 3.92Å; Y813-I817 HydrophobicContact CE2-CG2 4.19Å; Y813-I817 VanDerWaalsContact O-CB 3.31Å; Y813-I817 WeakPolarHBondContact O-CB 3.23Å; Y813-I817 WeakPolarHBondContact O-CG2 3.28Å; Y813-I817 PolarHBondContact O-N 3.23Å; Y813-T983 WeakPolarHBondContact CD2-O 3.39Å |
| 814 | L | 82.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 179.9 | -71 | 175.8 | 0 | 0 | 0 | 112.3 | A768 Q771 V810 E811 E812 | A768-L814 HydrophobicContact CB-CB 3.98Å; Q771-L814 HydrophobicContact CB-CD1 3.62Å; Q771-L814 HydrophobicContact CG-CD1 4.31Å; V810-L814 HydrophobicContact CG1-CD1 4.16Å; V810-L814 HydrophobicContact CG1-CG 4.47Å; V810-L814 WeakPolarHBondContact O-CG 3.19Å; V810-L814 PolarHBondContact O-N 2.88Å; E811-L814 PolarHBondContact O-N 3.4Å; E812-L814 PolarHBondContact O-N 3.01Å |
| 815 | H | 84.2 | Confident | 83.7 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 26% | 0.264 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 175.4 | 172.4 | -104.7 | 0 | 0 | 0 | 112.4 | A768 E811 E812 Y813 P819 | A768-H815 HydrophobicContact CB-CB 4Å; E811-H815 WeakPolarHBondContact O-CB 3.44Å; E811-H815 PolarHBondContact O-N 2.83Å; E812-H815 PolarHBondContact O-N 3.04Å; Y813-H815 VanDerWaalsContact C-N 3.35Å; Y813-H815 PolarHBondContact O-N 3Å; H815-P819 WeakPolarHBondContact O-CD 3.32Å; H815-P819 WeakPolarHBondContact O-CG 3.42Å |
| 816 | L | 81.8 | Confident | 84.2 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -86.2 | -42.1 | -175.3 | -67.5 | 175.8 | 0 | 0 | 0 | 114.2 | E812 Y813 P819 K820 D979 A982 T983 | E812-L816 HydrophobicContact CG-CD1 3.59Å; E812-L816 HydrophobicContact CG-CG 4.15Å; E812-L816 WeakPolarHBondContact O-CB 3.28Å; E812-L816 VanDerWaalsContact O-CG 3.26Å; E812-L816 WeakPolarHBondContact O-CG 3.33Å; E812-L816 PolarHBondContact O-N 3.5Å; Y813-L816 PolarHBondContact O-N 2.7Å; L816-P819 WeakPolarHBondContact O-CD 3.43Å; L816-P819 WeakPolarHBondContact O-CG 3.27Å; L816-K820 WeakPolarHBondContact O-CB 3.46Å; L816-K820 VanDerWaalsContact O-CG 3.24Å; L816-K820 WeakPolarHBondContact O-CG 3.49Å; L816-K820 PolarHBondContact O-N 2.7Å; L816-D979 HydrophobicContact CD1-CB 4Å; L816-A982 HydrophobicContact CD1-CB 3.78Å; L816-T983 HydrophobicContact CB-CG2 4.18Å |
| 817 | I | 78.9 | Confident | 84.6 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.5 | -48.2 | -166.3 | -164.9 | 63 | 0 | 0 | 0 | 112.3 | Y813 K820 M821 F976 T983 | Y813-I817 HydrophobicContact CD1-CG2 4.39Å; Y813-I817 HydrophobicContact CD2-CB 4.27Å; Y813-I817 HydrophobicContact CD2-CG2 4.5Å; Y813-I817 HydrophobicContact CE1-CG2 4.08Å; Y813-I817 HydrophobicContact CE2-CB 3.97Å; Y813-I817 HydrophobicContact CE2-CD1 4.26Å; Y813-I817 HydrophobicContact CE2-CG1 3.92Å; Y813-I817 HydrophobicContact CE2-CG2 4.19Å; Y813-I817 VanDerWaalsContact O-CB 3.31Å; Y813-I817 WeakPolarHBondContact O-CB 3.23Å; Y813-I817 WeakPolarHBondContact O-CG2 3.28Å; Y813-I817 PolarHBondContact O-N 3.23Å; I817-K820 PolarHBondContact O-N 2.81Å; I817-M821 HydrophobicContact CD1-CG 4.15Å; I817-M821 HydrophobicContact CD1-SD 3.92Å; I817-M821 HydrophobicContact CG1-CG 4.35Å; I817-M821 HydrophobicContact CG1-SD 3.79Å; I817-M821 WeakPolarHBondContact O-CB 3.3Å; I817-M821 WeakPolarHBondContact O-CG 3.07Å; I817-M821 PolarHBondContact O-N 3.11Å; I817-F976 HydrophobicContact CD1-CE2 4.13Å; I817-T983 HydrophobicContact CD1-CG2 4.3Å |
| 818 | L | 77.8 | Confident | 84.8 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -53.4 | -176.4 | -63.3 | 178.8 | 0 | 0 | 0 | 113.5 | L702 Y767 K820 L822 | L702-L818 HydrophobicContact CD2-CD2 4.18Å; Y767-L818 HydrophobicContact CD1-CD1 4.16Å; Y767-L818 HydrophobicContact CE1-CD1 3.51Å; L818-K820 VanDerWaalsContact C-N 3.34Å; L818-K820 PolarHBondContact O-N 2.63Å; L818-L822 WeakPolarHBondContact O-CB 3.36Å; L818-L822 VanDerWaalsContact O-CG 3.3Å; L818-L822 WeakPolarHBondContact O-CG 3.41Å; L818-L822 PolarHBondContact O-N 3.47Å; L818-L822 VanDerWaalsContact O-N 3.1Å |
| 819 | P | 81.2 | Confident | 85.3 | Confident | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -35.4 | -179.8 | 25.7 | -34 | 0 | 0 | 0 | 112.4 | L764 H815 L816 N823 | L764-P819 HydrophobicContact CD1-CB 3.55Å; L764-P819 HydrophobicContact CD1-CG 3.56Å; H815-P819 WeakPolarHBondContact O-CD 3.32Å; H815-P819 WeakPolarHBondContact O-CG 3.42Å; L816-P819 WeakPolarHBondContact O-CD 3.43Å; L816-P819 WeakPolarHBondContact O-CG 3.27Å; P819-N823 WeakPolarHBondContact O-CB 3.24Å; P819-N823 PolarHBondContact O-N 2.81Å; P819-N823 PolarHBondContact O-ND2 3.03Å |
| 820 | K | 84.4 | Confident | 85.8 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.8 | -41.7 | -175.4 | -67.1 | -177.1 | 175 | -161.4 | 0 | 111.7 | L816 I817 L818 N823 M824 D975 F976 D979 | L816-K820 WeakPolarHBondContact O-CB 3.46Å; L816-K820 VanDerWaalsContact O-CG 3.24Å; L816-K820 WeakPolarHBondContact O-CG 3.49Å; L816-K820 PolarHBondContact O-N 2.7Å; I817-K820 PolarHBondContact O-N 2.81Å; L818-K820 VanDerWaalsContact C-N 3.34Å; L818-K820 PolarHBondContact O-N 2.63Å; K820-N823 PolarHBondContact O-N 3.5Å; K820-M824 VanDerWaalsContact O-CB 3.27Å; K820-M824 WeakPolarHBondContact O-CB 3.4Å; K820-M824 PolarHBondContact O-N 3.46Å; K820-D975 WeakPolarHBondContact CE-O 3.34Å; K820-D975 PolarHBondContact NZ-O 3.47Å; K820-F976 HydrophobicContact CB-CD2 3.98Å; K820-D979 IonicContact NZ-OD1 3.43Å; K820-D979 IonicContact NZ-OD2 3.82Å; K820-D979 PolarHBondContact NZ-OD2 2.93Å |
| 821 | M | 82.4 | Confident | 86.2 | Confident | 85 Ų | 85 | 41.7 Ų | 41.7 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.6 | -49.2 | 170.3 | -71.9 | -175.8 | 70.5 | 0 | 0 | 111.3 | I817 N823 M824 M825 F976 | I817-M821 HydrophobicContact CD1-CG 4.15Å; I817-M821 HydrophobicContact CD1-SD 3.92Å; I817-M821 HydrophobicContact CG1-CG 4.35Å; I817-M821 HydrophobicContact CG1-SD 3.79Å; I817-M821 WeakPolarHBondContact O-CB 3.3Å; I817-M821 WeakPolarHBondContact O-CG 3.07Å; I817-M821 PolarHBondContact O-N 3.11Å; M821-N823 PolarHBondContact O-N 2.83Å; M821-M824 PolarHBondContact O-N 2.84Å; M821-M825 WeakPolarHBondContact O-CB 3.14Å; M821-M825 VanDerWaalsContact O-CG 3.25Å; M821-M825 WeakPolarHBondContact O-CG 3.4Å; M821-M825 PolarHBondContact O-N 3.32Å; M821-F976 HydrophobicContact CG-CE2 4.26Å |
| 822 | L | 84.7 | Confident | 86.5 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 18% | 0.183 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 178.3 | -73.7 | 173.5 | 0 | 0 | 0 | 112.6 | A705 L818 M825 I826 | A705-L822 HydrophobicContact CB-CD1 3.5Å; L818-L822 WeakPolarHBondContact O-CB 3.36Å; L818-L822 VanDerWaalsContact O-CG 3.3Å; L818-L822 WeakPolarHBondContact O-CG 3.41Å; L818-L822 PolarHBondContact O-N 3.47Å; L818-L822 VanDerWaalsContact O-N 3.1Å; L822-M825 PolarHBondContact O-N 2.89Å; L822-I826 HydrophobicContact CD2-CD1 4.31Å; L822-I826 VanDerWaalsContact O-CB 3.25Å; L822-I826 WeakPolarHBondContact O-CB 3.31Å; L822-I826 VanDerWaalsContact O-CG1 3.29Å; L822-I826 WeakPolarHBondContact O-CG1 3.36Å; L822-I826 PolarHBondContact O-N 3.09Å |
| 823 | N | 88 | Confident | 87.1 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 176.1 | -74.6 | -18.4 | 0 | 0 | 0 | 111.2 | R760 P819 K820 M821 M825 I826 I827 P828 P972 | R760-N823 PolarHBondContact NH1-ND2 2.71Å; R760-N823 PolarHBondContact NH1-OD1 3.05Å; R760-N823 VanDerWaalsContact NH1-OD1 3.09Å; P819-N823 WeakPolarHBondContact O-CB 3.24Å; P819-N823 PolarHBondContact O-N 2.81Å; P819-N823 PolarHBondContact O-ND2 3.03Å; K820-N823 PolarHBondContact O-N 3.5Å; M821-N823 PolarHBondContact O-N 2.83Å; N823-M825 VanDerWaalsContact C-N 3.34Å; N823-M825 PolarHBondContact O-N 3.05Å; N823-I826 PolarHBondContact O-N 3.36Å; N823-I827 HydrophobicContact CB-CD1 3.97Å; N823-I827 WeakPolarHBondContact O-CB 3.26Å; N823-I827 PolarHBondContact O-N 3.01Å; N823-P828 WeakPolarHBondContact O-CD 3.34Å; N823-P972 HydrophobicContact CB-CB 4.23Å |
| 824 | M | 84.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 37.5 Ų | 37.5 | 19% | 0.192 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -33.4 | 178.2 | -175.1 | 171.8 | 64.5 | 0 | 0 | 112.7 | K820 M821 P828 P972 I973 F976 | K820-M824 VanDerWaalsContact O-CB 3.27Å; K820-M824 WeakPolarHBondContact O-CB 3.4Å; K820-M824 PolarHBondContact O-N 3.46Å; M821-M824 PolarHBondContact O-N 2.84Å; M824-P828 WeakPolarHBondContact O-CD 3.34Å; M824-P828 WeakPolarHBondContact O-CG 3.21Å; M824-P972 HydrophobicContact CB-CB 4.46Å; M824-I973 HydrophobicContact SD-CB 4.4Å; M824-I973 HydrophobicContact SD-CD1 4.41Å; M824-I973 HydrophobicContact SD-CG1 4.21Å; M824-F976 HydrophobicContact CE-CD2 4.35Å; M824-F976 HydrophobicContact CE-CG 4.42Å; M824-F976 HydrophobicContact SD-CB 4.4Å; M824-F976 HydrophobicContact SD-CG 4.42Å |
| 825 | M | 86.5 | Confident | 88.2 | Confident | 124 Ų | 124 | 36.9 Ų | 36.9 | 61% | 0.611 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -81.1 | -17.5 | 177.7 | -71.2 | 177.8 | 70 | 0 | 0 | 114.3 | M821 L822 N823 W829 | M821-M825 WeakPolarHBondContact O-CB 3.14Å; M821-M825 VanDerWaalsContact O-CG 3.25Å; M821-M825 WeakPolarHBondContact O-CG 3.4Å; M821-M825 PolarHBondContact O-N 3.32Å; L822-M825 PolarHBondContact O-N 2.89Å; N823-M825 VanDerWaalsContact C-N 3.34Å; N823-M825 PolarHBondContact O-N 3.05Å; M825-W829 VanDerWaalsContact O-CD1 3.26Å |
| 826 | I | 91.5 | Very high | 88.7 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -117.2 | -53.4 | -172.7 | -64.7 | 171.4 | 0 | 0 | 0 | 112.2 | A709 I710 L822 N823 W829 I830 | A709-I826 HydrophobicContact CB-CB 4.17Å; A709-I826 HydrophobicContact CB-CD1 4.04Å; A709-I826 HydrophobicContact CB-CG2 4.06Å; I710-I826 HydrophobicContact CG1-CG2 3.71Å; L822-I826 HydrophobicContact CD2-CD1 4.31Å; L822-I826 VanDerWaalsContact O-CB 3.25Å; L822-I826 WeakPolarHBondContact O-CB 3.31Å; L822-I826 VanDerWaalsContact O-CG1 3.29Å; L822-I826 WeakPolarHBondContact O-CG1 3.36Å; L822-I826 PolarHBondContact O-N 3.09Å; N823-I826 PolarHBondContact O-N 3.36Å; I826-W829 PolarHBondContact O-N 3.09Å; I826-I830 HydrophobicContact CG2-CD1 3.63Å; I826-I830 HydrophobicContact CG2-CG1 4.48Å; I826-I830 WeakPolarHBondContact O-CG1 3.36Å; I826-I830 PolarHBondContact O-N 2.97Å |
| 827 | I | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -50.4 | -168.7 | -59.3 | 179.1 | 0 | 0 | 0 | 111.5 | A709 Q712 A713 I716 N823 W829 I830 L831 P972 | A709-I827 HydrophobicContact CB-CG1 4.31Å; Q712-I827 HydrophobicContact CB-CD1 4.41Å; Q712-I827 HydrophobicContact CG-CD1 4.32Å; A713-I827 HydrophobicContact CB-CG1 4.33Å; A713-I827 HydrophobicContact CB-CG2 4.28Å; I716-I827 HydrophobicContact CD1-CG2 4.15Å; N823-I827 HydrophobicContact CB-CD1 3.97Å; N823-I827 WeakPolarHBondContact O-CB 3.26Å; N823-I827 PolarHBondContact O-N 3.01Å; I827-W829 VanDerWaalsContact C-N 3.27Å; I827-W829 PolarHBondContact O-N 2.92Å; I827-I830 PolarHBondContact O-N 3.02Å; I827-L831 HydrophobicContact CG2-CD1 3.79Å; I827-L831 HydrophobicContact CG2-CG 4.01Å; I827-L831 WeakPolarHBondContact O-CG 3.33Å; I827-L831 PolarHBondContact O-N 3.13Å; I827-P972 HydrophobicContact CB-CG 4.01Å; I827-P972 HydrophobicContact CG2-CG 4.1Å |
| 828 | P | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.8 | -41.3 | -180 | -26.8 | 36.2 | 0 | 0 | 0 | 112.5 | N823 M824 L831 L832 F850 Y969 P972 | N823-P828 WeakPolarHBondContact O-CD 3.34Å; M824-P828 WeakPolarHBondContact O-CD 3.34Å; M824-P828 WeakPolarHBondContact O-CG 3.21Å; P828-L831 PolarHBondContact O-N 2.92Å; P828-L832 WeakPolarHBondContact O-CB 3.44Å; P828-L832 PolarHBondContact O-N 2.8Å; P828-F850 HydrophobicContact CB-CE2 3.84Å; P828-F850 HydrophobicContact CB-CZ 4.04Å; P828-F850 HydrophobicContact CG-CE2 4.03Å; P828-F850 HydrophobicContact CG-CZ 4.19Å; P828-Y969 HydrophobicContact CB-CD2 3.82Å; P828-Y969 HydrophobicContact CB-CE2 3.64Å; P828-Y969 VanDerWaalsContact O-CD2 3.26Å; P828-Y969 WeakPolarHBondContact O-CD2 3.49Å; P828-Y969 VanDerWaalsContact O-CE2 3.26Å; P828-Y969 WeakPolarHBondContact O-CE2 3.39Å; P828-P972 HydrophobicContact CG-CB 4.29Å; P828-P972 HydrophobicContact CG-CG 4.14Å |
| 829 | W | 93.9 | Very high | 90.6 | Very high | 123 Ų | 123 | 44.2 Ų | 44.2 | 47% | 0.466 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.8 | -39.2 | -178.3 | -60.8 | 101.1 | 0 | 0 | 0 | 113.3 | M825 I826 I827 L832 V833 L847 F850 | M825-W829 VanDerWaalsContact O-CD1 3.26Å; I826-W829 PolarHBondContact O-N 3.09Å; I827-W829 VanDerWaalsContact C-N 3.27Å; I827-W829 PolarHBondContact O-N 2.92Å; W829-L832 HydrophobicContact CE3-CD2 3.94Å; W829-L832 HydrophobicContact CZ3-CD2 3.98Å; W829-L832 PolarHBondContact O-N 3.08Å; W829-V833 WeakPolarHBondContact O-CG2 3.3Å; W829-V833 PolarHBondContact O-N 3.2Å; W829-L847 HydrophobicContact CH2-CD1 4.44Å; W829-L847 HydrophobicContact CZ3-CD1 4.25Å; W829-F850 HydrophobicContact CZ2-CE1 4.32Å |
| 830 | I | 94.8 | Very high | 91.1 | Very high | 50 Ų | 50 | 49.6 Ų | 49.6 | 26% | 0.256 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 174.9 | -66.4 | 174.7 | 0 | 0 | 0 | 110.7 | I710 A713 I717 I826 I827 V833 A834 | I710-I830 HydrophobicContact CB-CD1 4.34Å; I710-I830 HydrophobicContact CG1-CD1 4.13Å; I710-I830 HydrophobicContact CG2-CD1 4.2Å; A713-I830 HydrophobicContact CB-CB 3.83Å; A713-I830 HydrophobicContact CB-CD1 4Å; A713-I830 HydrophobicContact CB-CG2 3.63Å; I717-I830 HydrophobicContact CD1-CG2 3.89Å; I826-I830 HydrophobicContact CG2-CD1 3.63Å; I826-I830 HydrophobicContact CG2-CG1 4.48Å; I826-I830 WeakPolarHBondContact O-CG1 3.36Å; I826-I830 PolarHBondContact O-N 2.97Å; I827-I830 PolarHBondContact O-N 3.02Å; I830-V833 PolarHBondContact O-N 3.43Å; I830-A834 PolarHBondContact O-N 2.72Å |
| 831 | L | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 175.6 | -62.3 | -171.3 | 0 | 0 | 0 | 111.7 | I716 I717 I827 P828 A834 I835 L965 E968 | I716-L831 HydrophobicContact CB-CD2 4.11Å; I716-L831 HydrophobicContact CG2-CD1 3.91Å; I716-L831 HydrophobicContact CG2-CD2 3.71Å; I716-L831 HydrophobicContact CG2-CG 4.48Å; I717-L831 HydrophobicContact CD1-CD2 4.12Å; I717-L831 HydrophobicContact CG1-CD2 3.66Å; I827-L831 HydrophobicContact CG2-CD1 3.79Å; I827-L831 HydrophobicContact CG2-CG 4.01Å; I827-L831 WeakPolarHBondContact O-CG 3.33Å; I827-L831 PolarHBondContact O-N 3.13Å; P828-L831 PolarHBondContact O-N 2.92Å; L831-A834 PolarHBondContact O-N 3.32Å; L831-I835 VanDerWaalsContact O-CG1 3.29Å; L831-I835 WeakPolarHBondContact O-CG1 3.03Å; L831-I835 PolarHBondContact O-N 3.46Å; L831-L965 HydrophobicContact CD2-CD2 4.22Å; L831-E968 HydrophobicContact CD1-CB 3.77Å |
| 832 | L | 94.2 | Very high | 92 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.4 | -174.5 | 64.3 | 0 | 0 | 0 | 111.7 | P828 W829 I835 F836 G843 L846 L847 Y969 | P828-L832 WeakPolarHBondContact O-CB 3.44Å; P828-L832 PolarHBondContact O-N 2.8Å; W829-L832 HydrophobicContact CE3-CD2 3.94Å; W829-L832 HydrophobicContact CZ3-CD2 3.98Å; W829-L832 PolarHBondContact O-N 3.08Å; L832-I835 PolarHBondContact O-N 3.22Å; L832-F836 HydrophobicContact CD1-CD2 4.07Å; L832-F836 HydrophobicContact CD1-CE2 3.78Å; L832-F836 HydrophobicContact CD2-CE2 4.15Å; L832-F836 HydrophobicContact CG-CD2 3.82Å; L832-F836 HydrophobicContact CG-CE2 3.71Å; L832-F836 WeakPolarHBondContact O-CB 3.3Å; L832-F836 VanDerWaalsContact O-CD2 3.25Å; L832-F836 WeakPolarHBondContact O-CD2 3.39Å; L832-F836 PolarHBondContact O-N 3.45Å; L832-G843 WeakPolarHBondContact CD1-O 3.15Å; L832-L846 HydrophobicContact CD1-CB 4.26Å; L832-L847 HydrophobicContact CD1-CB 4.36Å; L832-L847 HydrophobicContact CD2-CB 4.3Å; L832-L847 HydrophobicContact CD2-CD1 4.06Å; L832-Y969 HydrophobicContact CB-CD2 4.28Å; L832-Y969 HydrophobicContact CB-CE2 3.82Å; L832-Y969 HydrophobicContact CD1-CE2 4.2Å; L832-Y969 HydrophobicContact CD2-CE2 4.37Å; L832-Y969 HydrophobicContact CG-CE2 4.35Å |
| 833 | V | 95 | Very high | 92.3 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 53% | 0.533 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 173.1 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | W829 I830 I835 F836 L837 | W829-V833 WeakPolarHBondContact O-CG2 3.3Å; W829-V833 PolarHBondContact O-N 3.2Å; I830-V833 PolarHBondContact O-N 3.43Å; V833-I835 VanDerWaalsContact C-N 3.35Å; V833-I835 PolarHBondContact O-N 3.31Å; V833-F836 PolarHBondContact O-N 3.04Å; V833-L837 HydrophobicContact CG1-CD1 4.17Å; V833-L837 WeakPolarHBondContact O-CG 3.16Å; V833-L837 PolarHBondContact O-N 2.86Å |
| 834 | A | 93.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 12% | 0.116 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I717 I830 L831 L837 L838 | I717-A834 HydrophobicContact CD1-CB 3.56Å; I717-A834 HydrophobicContact CG1-CB 3.82Å; I830-A834 PolarHBondContact O-N 2.72Å; L831-A834 PolarHBondContact O-N 3.32Å; A834-L837 PolarHBondContact O-N 2.85Å; A834-L838 WeakPolarHBondContact O-CG 3.37Å; A834-L838 PolarHBondContact O-N 2.6Å; A834-L838 VanDerWaalsContact O-N 3.14Å |
| 835 | I | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 174.2 | -68 | 170 | 0 | 0 | 0 | 110.4 | L831 L832 V833 L837 L838 D839 L846 V962 L965 | L831-I835 VanDerWaalsContact O-CG1 3.29Å; L831-I835 WeakPolarHBondContact O-CG1 3.03Å; L831-I835 PolarHBondContact O-N 3.46Å; L832-I835 PolarHBondContact O-N 3.22Å; V833-I835 VanDerWaalsContact C-N 3.35Å; V833-I835 PolarHBondContact O-N 3.31Å; I835-L837 PolarHBondContact O-N 2.78Å; I835-L838 PolarHBondContact O-N 3.24Å; I835-D839 CarbonylContact O-C 3.59Å; I835-D839 VanDerWaalsContact O-C 3.27Å; I835-D839 PolarHBondContact O-N 2.75Å; I835-D839 VanDerWaalsContact O-O 3.07Å; I835-L846 HydrophobicContact CD1-CD1 3.44Å; I835-L846 VanDerWaalsContact CD1-CD1 3.44Å; I835-L846 HydrophobicContact CG2-CD1 4.3Å; I835-V962 HydrophobicContact CG1-CG1 4.43Å; I835-V962 HydrophobicContact CG1-CG2 4.48Å; I835-V962 HydrophobicContact CG2-CG1 3.85Å; I835-V962 HydrophobicContact CG2-CG2 4.18Å; I835-L965 HydrophobicContact CD1-CB 3.85Å; I835-L965 HydrophobicContact CG1-CB 4.01Å; I835-L965 HydrophobicContact CG1-CD1 4.1Å |
| 836 | F | 94.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 31% | 0.307 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.2 | -32.3 | 174.9 | -91.8 | -66.4 | 0 | 0 | 0 | 113.5 | L832 V833 W840 G843 V844 L847 | L832-F836 HydrophobicContact CD1-CD2 4.07Å; L832-F836 HydrophobicContact CD1-CE2 3.78Å; L832-F836 HydrophobicContact CD2-CE2 4.15Å; L832-F836 HydrophobicContact CG-CD2 3.82Å; L832-F836 HydrophobicContact CG-CE2 3.71Å; L832-F836 WeakPolarHBondContact O-CB 3.3Å; L832-F836 VanDerWaalsContact O-CD2 3.25Å; L832-F836 WeakPolarHBondContact O-CD2 3.39Å; L832-F836 PolarHBondContact O-N 3.45Å; V833-F836 PolarHBondContact O-N 3.04Å; F836-W840 HydrophobicContact CD1-CB 3.81Å; F836-W840 HydrophobicContact CE1-CB 4.34Å; F836-G843 VanDerWaalsContact CZ-C 3.5Å; F836-V844 HydrophobicContact CE1-CG2 3.89Å; F836-V844 HydrophobicContact CZ-CG2 4.15Å; F836-L847 HydrophobicContact CE2-CD2 4.41Å; F836-L847 HydrophobicContact CZ-CD2 4.21Å |
| 837 | L | 93 | Very high | 93.1 | Very high | 146 Ų | 146 | 42.7 Ų | 42.7 | 76% | 0.764 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -78.2 | -24.8 | 176 | -69.2 | 169.5 | 0 | 0 | 0 | 113.7 | V833 A834 I835 | V833-L837 HydrophobicContact CG1-CD1 4.17Å; V833-L837 WeakPolarHBondContact O-CG 3.16Å; V833-L837 PolarHBondContact O-N 2.86Å; A834-L837 PolarHBondContact O-N 2.85Å; I835-L837 PolarHBondContact O-N 2.78Å |
| 838 | L | 91.3 | Very high | 93 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -91.1 | -48.5 | 178.1 | -70.8 | 165.9 | 0 | 0 | 0 | 112.3 | A834 I835 P958 T961 V962 L965 | A834-L838 WeakPolarHBondContact O-CG 3.37Å; A834-L838 PolarHBondContact O-N 2.6Å; A834-L838 VanDerWaalsContact O-N 3.14Å; I835-L838 PolarHBondContact O-N 3.24Å; L838-P958 HydrophobicContact CB-CB 4.46Å; L838-P958 HydrophobicContact CD2-CB 4.28Å; L838-T961 HydrophobicContact CD1-CG2 3.54Å; L838-V962 HydrophobicContact CB-CG2 3.71Å; L838-V962 HydrophobicContact CD1-CG2 4.17Å; L838-L965 HydrophobicContact CD1-CD1 4.21Å |
| 839 | D | 92.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | trans | -152.9 | 106.9 | 173.6 | -176.9 | 55.2 | 0 | 0 | 0 | 112.3 | I835 E841 S842 G843 R948 I954 V962 | I835-D839 CarbonylContact O-C 3.59Å; I835-D839 VanDerWaalsContact O-C 3.27Å; I835-D839 PolarHBondContact O-N 2.75Å; I835-D839 VanDerWaalsContact O-O 3.07Å; D839-E841 VanDerWaalsContact C-N 3.3Å; D839-E841 PolarHBondContact O-N 2.57Å; D839-S842 PolarHBondContact O-N 3.45Å; D839-S842 WeakPolarHBondContact OD2-CB 3.27Å; D839-S842 PolarHBondContact OD2-N 3.39Å; D839-S842 PolarHBondContact OD2-OG 3.09Å; D839-G843 PolarHBondContact O-N 3.11Å; D839-R948 IonicContact OD1-CZ 2.71Å; D839-R948 IonicContact OD1-NH1 3.74Å; D839-R948 PolarHBondContact OD1-NH1 3.43Å; D839-R948 IonicContact OD1-NH2 2.7Å; D839-R948 PolarHBondContact OD1-NH2 3.26Å; D839-R948 IonicContact OD2-CZ 2.72Å; D839-R948 IonicContact OD2-NH1 3.63Å; D839-R948 PolarHBondContact OD2-NH1 3.37Å; D839-I954 HydrophobicContact CB-CD1 3.89Å; D839-V962 HydrophobicContact CB-CG2 4.24Å | ||
| 840 | W | 92.8 | Very high | 92.5 | Very high | 125 Ų | 125 | 44.6 Ų | 44.6 | 47% | 0.473 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.9 | -26.2 | -177.4 | 77.1 | -102 | 0 | 0 | 0 | 114.5 | F510 K514 F836 G843 V844 | F510-W840 HydrophobicContact CZ-CH2 4.46Å; K514-W840 HydrophobicContact CD-CZ2 4.32Å; K514-W840 HydrophobicContact CG-CZ2 4.34Å; F836-W840 HydrophobicContact CD1-CB 3.81Å; F836-W840 HydrophobicContact CE1-CB 4.34Å; W840-G843 PolarHBondContact O-N 3.2Å; W840-V844 HydrophobicContact CE3-CG2 3.88Å; W840-V844 HydrophobicContact CZ3-CG2 4.09Å; W840-V844 WeakPolarHBondContact O-CG2 3.45Å; W840-V844 PolarHBondContact O-N 2.82Å |
| 841 | E | 91.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67 | -45.2 | 179.6 | -56.6 | -179 | 177 | 0 | 0 | 110.4 | K514 D839 G843 V844 V845 R948 | K514-E841 IonicContact NZ-OE1 2.74Å; K514-E841 PolarHBondContact NZ-OE1 3.18Å; D839-E841 VanDerWaalsContact C-N 3.3Å; D839-E841 PolarHBondContact O-N 2.57Å; E841-G843 VanDerWaalsContact C-N 3.31Å; E841-G843 PolarHBondContact O-N 3.47Å; E841-V844 PolarHBondContact O-N 2.9Å; E841-V845 PolarHBondContact O-N 2.96Å; E841-R948 VanDerWaalsContact CD-NH1 3.29Å; E841-R948 VanDerWaalsContact OE2-CD 3.31Å; E841-R948 WeakPolarHBondContact OE2-CD 3.42Å; E841-R948 IonicContact OE2-CZ 3.14Å; E841-R948 VanDerWaalsContact OE2-CZ 3.24Å; E841-R948 IonicContact OE2-NE 3.13Å; E841-R948 PolarHBondContact OE2-NE 3.02Å; E841-R948 IonicContact OE2-NH1 2.63Å; E841-R948 PolarHBondContact OE2-NH1 3.16Å |
| 842 | S | 92.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 171.6 | -56 | 0 | 0 | 0 | 0 | 112.3 | D839 V844 V845 L846 | D839-S842 PolarHBondContact O-N 3.45Å; D839-S842 WeakPolarHBondContact OD2-CB 3.27Å; D839-S842 PolarHBondContact OD2-N 3.39Å; D839-S842 PolarHBondContact OD2-OG 3.09Å; S842-V844 VanDerWaalsContact C-N 3.34Å; S842-V844 PolarHBondContact O-N 2.88Å; S842-V845 PolarHBondContact O-N 3.16Å; S842-L846 WeakPolarHBondContact O-CG 3.19Å; S842-L846 PolarHBondContact O-N 2.72Å |
| 843 | G | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L832 F836 D839 W840 E841 L847 | L832-G843 WeakPolarHBondContact CD1-O 3.15Å; F836-G843 VanDerWaalsContact CZ-C 3.5Å; D839-G843 PolarHBondContact O-N 3.11Å; W840-G843 PolarHBondContact O-N 3.2Å; E841-G843 VanDerWaalsContact C-N 3.31Å; E841-G843 PolarHBondContact O-N 3.47Å; G843-L847 VanDerWaalsContact O-CB 3.29Å; G843-L847 WeakPolarHBondContact O-CB 3.35Å; G843-L847 PolarHBondContact O-N 3.32Å |
| 844 | V | 92.8 | Very high | 90.6 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 33% | 0.327 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.8 | 173 | 0 | 0 | 0 | 0 | 111.8 | F836 W840 E841 S842 L847 L848 | F836-V844 HydrophobicContact CE1-CG2 3.89Å; F836-V844 HydrophobicContact CZ-CG2 4.15Å; W840-V844 HydrophobicContact CE3-CG2 3.88Å; W840-V844 HydrophobicContact CZ3-CG2 4.09Å; W840-V844 WeakPolarHBondContact O-CG2 3.45Å; W840-V844 PolarHBondContact O-N 2.82Å; E841-V844 PolarHBondContact O-N 2.9Å; S842-V844 VanDerWaalsContact C-N 3.34Å; S842-V844 PolarHBondContact O-N 2.88Å; V844-L847 PolarHBondContact O-N 3.02Å; V844-L848 HydrophobicContact CG1-CD1 3.86Å; V844-L848 HydrophobicContact CG1-CG 4.32Å; V844-L848 WeakPolarHBondContact O-CB 3.24Å; V844-L848 VanDerWaalsContact O-CG 3.3Å; V844-L848 WeakPolarHBondContact O-CG 3.36Å; V844-L848 PolarHBondContact O-N 3.34Å |
| 845 | V | 90.6 | Very high | 90 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 177.9 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | E841 S842 L848 V849 V940 V941 L944 | E841-V845 PolarHBondContact O-N 2.96Å; S842-V845 PolarHBondContact O-N 3.16Å; V845-L848 PolarHBondContact O-N 3.22Å; V845-V849 PolarHBondContact O-N 3.17Å; V845-V940 HydrophobicContact CG1-CG1 3.94Å; V845-V941 HydrophobicContact CB-CG2 4.11Å; V845-V941 HydrophobicContact CG1-CG2 3.74Å; V845-L944 HydrophobicContact CG2-CD1 3.9Å |
| 846 | L | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 179.4 | -66.5 | 177 | 0 | 0 | 0 | 112.2 | L832 I835 S842 L848 V849 F850 V941 A966 Y969 F970 | L832-L846 HydrophobicContact CD1-CB 4.26Å; I835-L846 HydrophobicContact CD1-CD1 3.44Å; I835-L846 VanDerWaalsContact CD1-CD1 3.44Å; I835-L846 HydrophobicContact CG2-CD1 4.3Å; S842-L846 WeakPolarHBondContact O-CG 3.19Å; S842-L846 PolarHBondContact O-N 2.72Å; L846-L848 VanDerWaalsContact C-N 3.27Å; L846-L848 PolarHBondContact O-N 3.3Å; L846-V849 PolarHBondContact O-N 2.85Å; L846-F850 PolarHBondContact O-N 3.03Å; L846-V941 HydrophobicContact CD2-CG2 4.01Å; L846-V941 HydrophobicContact CG-CG2 4.16Å; L846-A966 HydrophobicContact CD1-CB 4.34Å; L846-A966 HydrophobicContact CD2-CB 4.36Å; L846-Y969 HydrophobicContact CB-CD1 3.99Å; L846-Y969 HydrophobicContact CB-CE1 3.69Å; L846-Y969 HydrophobicContact CD1-CD1 4.27Å; L846-Y969 HydrophobicContact CD1-CG 4.46Å; L846-Y969 HydrophobicContact CD2-CD1 4.11Å; L846-Y969 HydrophobicContact CD2-CE1 4.49Å; L846-Y969 HydrophobicContact CG-CD1 4.35Å; L846-F970 HydrophobicContact CD2-CE2 3.47Å; L846-F970 VanDerWaalsContact CD2-CE2 3.47Å; L846-F970 HydrophobicContact CD2-CZ 3.62Å |
| 847 | L | 91.8 | Very high | 88.3 | Confident | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.335 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -31.9 | 175.7 | 177 | 60.4 | 0 | 0 | 0 | 113.1 | W829 L832 F836 G843 V844 P851 | W829-L847 HydrophobicContact CH2-CD1 4.44Å; W829-L847 HydrophobicContact CZ3-CD1 4.25Å; L832-L847 HydrophobicContact CD1-CB 4.36Å; L832-L847 HydrophobicContact CD2-CB 4.3Å; L832-L847 HydrophobicContact CD2-CD1 4.06Å; F836-L847 HydrophobicContact CE2-CD2 4.41Å; F836-L847 HydrophobicContact CZ-CD2 4.21Å; G843-L847 VanDerWaalsContact O-CB 3.29Å; G843-L847 WeakPolarHBondContact O-CB 3.35Å; G843-L847 PolarHBondContact O-N 3.32Å; V844-L847 PolarHBondContact O-N 3.02Å; L847-P851 WeakPolarHBondContact O-CD 3.42Å |
| 848 | L | 90.6 | Very high | 87.5 | Confident | 125 Ų | 125 | 49.3 Ų | 49.3 | 65% | 0.654 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -75.3 | -31.5 | 179.7 | -76.4 | 170.7 | 0 | 0 | 0 | 113.4 | V844 V845 L846 | V844-L848 HydrophobicContact CG1-CD1 3.86Å; V844-L848 HydrophobicContact CG1-CG 4.32Å; V844-L848 WeakPolarHBondContact O-CB 3.24Å; V844-L848 VanDerWaalsContact O-CG 3.3Å; V844-L848 WeakPolarHBondContact O-CG 3.36Å; V844-L848 PolarHBondContact O-N 3.34Å; V845-L848 PolarHBondContact O-N 3.22Å; L846-L848 VanDerWaalsContact C-N 3.27Å; L846-L848 PolarHBondContact O-N 3.3Å |
| 849 | V | 87.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -88.2 | -24.5 | -179.1 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | V845 L846 L852 I853 F933 S937 | V845-V849 PolarHBondContact O-N 3.17Å; L846-V849 PolarHBondContact O-N 2.85Å; V849-L852 WeakPolarHBondContact O-CB 3.44Å; V849-L852 PolarHBondContact O-N 3.19Å; V849-I853 HydrophobicContact CG1-CD1 4.09Å; V849-I853 HydrophobicContact CG1-CG1 4.12Å; V849-I853 WeakPolarHBondContact O-CG1 3.44Å; V849-I853 PolarHBondContact O-N 2.91Å; V849-F933 HydrophobicContact CG1-CB 4.4Å; V849-S937 WeakPolarHBondContact CB-OG 3.41Å; V849-S937 WeakPolarHBondContact CG1-OG 3.2Å |
| 850 | F | 87.9 | Confident | 85.8 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | -179.4 | -170.3 | -95.1 | 0 | 0 | 0 | 114.2 | P828 W829 L846 L852 I853 I854 Y969 I973 | P828-F850 HydrophobicContact CB-CE2 3.84Å; P828-F850 HydrophobicContact CB-CZ 4.04Å; P828-F850 HydrophobicContact CG-CE2 4.03Å; P828-F850 HydrophobicContact CG-CZ 4.19Å; W829-F850 HydrophobicContact CZ2-CE1 4.32Å; L846-F850 PolarHBondContact O-N 3.03Å; F850-L852 VanDerWaalsContact C-N 3.33Å; F850-L852 PolarHBondContact O-N 2.96Å; F850-I853 PolarHBondContact O-N 3.38Å; F850-I854 HydrophobicContact CD1-CD1 3.88Å; F850-I854 HydrophobicContact CE1-CD1 3.65Å; F850-I854 HydrophobicContact CZ-CD1 4.39Å; F850-I854 WeakPolarHBondContact O-CG1 3.4Å; F850-I854 PolarHBondContact O-N 3.02Å; F850-Y969 HydrophobicContact CB-CE1 4.13Å; F850-Y969 WeakPolarHBondContact CB-OH 3.46Å; F850-Y969 AromaticContact CD2-CE1 3.84Å; F850-Y969 HydrophobicContact CD2-CE1 3.84Å; F850-Y969 HydrophobicContact CD2-CE2 4.42Å; F850-Y969 AromaticContact CD2-CZ 3.67Å; F850-Y969 WeakPolarHBondContact CD2-OH 3.45Å; F850-Y969 HydrophobicContact CG-CE1 4.35Å; F850-Y969 WeakPolarHBondContact CG-OH 3.38Å; F850-I973 HydrophobicContact CE2-CD1 4.28Å; F850-I973 HydrophobicContact CE2-CG2 4.32Å; F850-I973 HydrophobicContact CZ-CD1 4.5Å |
| 851 | P | 86.5 | Confident | 84.7 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -33.8 | 171.7 | -22.9 | 34.3 | 0 | 0 | 0 | 113.8 | L847 I854 I855 | L847-P851 WeakPolarHBondContact O-CD 3.42Å; P851-I854 PolarHBondContact O-N 2.87Å; P851-I855 WeakPolarHBondContact O-CG1 3.46Å; P851-I855 PolarHBondContact O-N 3.48Å |
| 852 | L | 86 | Confident | 83.7 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 178.5 | -174.2 | 64.8 | 0 | 0 | 0 | 110.8 | V849 F850 I854 I855 F856 F933 | V849-L852 WeakPolarHBondContact O-CB 3.44Å; V849-L852 PolarHBondContact O-N 3.19Å; F850-L852 VanDerWaalsContact C-N 3.33Å; F850-L852 PolarHBondContact O-N 2.96Å; L852-I854 VanDerWaalsContact C-N 3.33Å; L852-I854 PolarHBondContact O-N 3.06Å; L852-I855 PolarHBondContact O-N 2.67Å; L852-F856 HydrophobicContact CD1-CD2 4.17Å; L852-F856 HydrophobicContact CD1-CE2 3.93Å; L852-F856 HydrophobicContact CG-CD2 4.22Å; L852-F856 HydrophobicContact CG-CE2 4.25Å; L852-F856 WeakPolarHBondContact O-CD2 3.17Å; L852-F856 PolarHBondContact O-N 2.89Å; L852-F856 VanDerWaalsContact O-N 3.09Å; L852-F933 HydrophobicContact CD2-CD1 3.96Å; L852-F933 HydrophobicContact CD2-CE1 3.71Å; L852-F933 HydrophobicContact CD2-CZ 4.24Å; L852-F933 HydrophobicContact CG-CE1 4.47Å |
| 853 | I | 84.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 175.6 | -66.1 | 170.2 | 0 | 0 | 0 | 110.8 | V849 F850 F856 M857 L930 F933 T934 F970 I973 | V849-I853 HydrophobicContact CG1-CD1 4.09Å; V849-I853 HydrophobicContact CG1-CG1 4.12Å; V849-I853 WeakPolarHBondContact O-CG1 3.44Å; V849-I853 PolarHBondContact O-N 2.91Å; F850-I853 PolarHBondContact O-N 3.38Å; I853-F856 PolarHBondContact O-N 3.43Å; I853-M857 WeakPolarHBondContact O-CB 3.28Å; I853-M857 PolarHBondContact O-N 3.47Å; I853-L930 HydrophobicContact CG2-CD2 3.55Å; I853-F933 HydrophobicContact CD1-CB 4.35Å; I853-F933 HydrophobicContact CG1-CB 3.86Å; I853-T934 HydrophobicContact CD1-CG2 3.79Å; I853-F970 HydrophobicContact CD1-CD1 3.61Å; I853-F970 HydrophobicContact CD1-CE1 3.48Å; I853-F970 VanDerWaalsContact CD1-CE1 3.48Å; I853-F970 HydrophobicContact CD1-CZ 4.41Å; I853-I973 HydrophobicContact CB-CD1 4.34Å; I853-I973 HydrophobicContact CG2-CD1 3.58Å; I853-I973 HydrophobicContact CG2-CG1 3.94Å; I853-I973 HydrophobicContact CG2-CG2 4.43Å |
| 854 | I | 82.1 | Confident | 81.3 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 30% | 0.297 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.9 | -67.2 | 169.5 | 0 | 0 | 0 | 111.5 | F850 P851 L852 F856 M857 I858 I973 | F850-I854 HydrophobicContact CD1-CD1 3.88Å; F850-I854 HydrophobicContact CE1-CD1 3.65Å; F850-I854 HydrophobicContact CZ-CD1 4.39Å; F850-I854 WeakPolarHBondContact O-CG1 3.4Å; F850-I854 PolarHBondContact O-N 3.02Å; P851-I854 PolarHBondContact O-N 2.87Å; L852-I854 VanDerWaalsContact C-N 3.33Å; L852-I854 PolarHBondContact O-N 3.06Å; I854-F856 VanDerWaalsContact C-N 3.35Å; I854-F856 PolarHBondContact O-N 3.36Å; I854-M857 WeakPolarHBondContact O-CB 3.41Å; I854-M857 PolarHBondContact O-N 3.24Å; I854-I858 HydrophobicContact CG2-CD1 3.84Å; I854-I858 HydrophobicContact CG2-CG1 4.46Å; I854-I858 WeakPolarHBondContact O-CG1 3.45Å; I854-I858 PolarHBondContact O-N 3.24Å; I854-I973 HydrophobicContact CD1-CD1 4.47Å; I854-I973 HydrophobicContact CG1-CD1 3.64Å |
| 855 | I | 82.6 | Confident | 80.1 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 178.8 | -70.2 | 163.5 | 0 | 0 | 0 | 110.9 | P851 L852 I858 I859 | P851-I855 WeakPolarHBondContact O-CG1 3.46Å; P851-I855 PolarHBondContact O-N 3.48Å; L852-I855 PolarHBondContact O-N 2.67Å; I855-I858 PolarHBondContact O-N 3.43Å; I855-I859 HydrophobicContact CG2-CD1 3.9Å; I855-I859 WeakPolarHBondContact O-CG1 3.46Å; I855-I859 PolarHBondContact O-N 2.81Å |
| 856 | F | 79.1 | Confident | 79.1 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.3 | -89.4 | -81.2 | 0 | 0 | 0 | 112.2 | L852 I853 I854 I858 I859 L860 F933 | L852-F856 HydrophobicContact CD1-CD2 4.17Å; L852-F856 HydrophobicContact CD1-CE2 3.93Å; L852-F856 HydrophobicContact CG-CD2 4.22Å; L852-F856 HydrophobicContact CG-CE2 4.25Å; L852-F856 WeakPolarHBondContact O-CD2 3.17Å; L852-F856 PolarHBondContact O-N 2.89Å; L852-F856 VanDerWaalsContact O-N 3.09Å; I853-F856 PolarHBondContact O-N 3.43Å; I854-F856 VanDerWaalsContact C-N 3.35Å; I854-F856 PolarHBondContact O-N 3.36Å; F856-I858 VanDerWaalsContact C-N 3.32Å; F856-I858 PolarHBondContact O-N 3.32Å; F856-I859 PolarHBondContact O-N 2.91Å; F856-L860 HydrophobicContact CB-CD1 4.36Å; F856-L860 HydrophobicContact CD1-CD1 4.25Å; F856-L860 WeakPolarHBondContact O-CB 3.3Å; F856-L860 WeakPolarHBondContact O-CD1 3.15Å; F856-L860 PolarHBondContact O-N 3.4Å; F856-F933 HydrophobicContact CD1-CE2 4.32Å; F856-F933 HydrophobicContact CD2-CD2 4.19Å; F856-F933 AromaticContact CD2-CE2 3.45Å; F856-F933 HydrophobicContact CD2-CE2 3.45Å; F856-F933 VanDerWaalsContact CD2-CE2 3.45Å; F856-F933 AromaticContact CD2-CZ 3.99Å; F856-F933 HydrophobicContact CD2-CZ 3.99Å; F856-F933 HydrophobicContact CE1-CE2 4.28Å; F856-F933 HydrophobicContact CE2-CD2 4.49Å; F856-F933 AromaticContact CE2-CE2 3.41Å; F856-F933 HydrophobicContact CE2-CE2 3.41Å; F856-F933 VanDerWaalsContact CE2-CE2 3.41Å; F856-F933 AromaticContact CE2-CZ 3.48Å; F856-F933 HydrophobicContact CE2-CZ 3.48Å; F856-F933 VanDerWaalsContact CE2-CZ 3.48Å; F856-F933 AromaticContact CG-CE2 3.93Å; F856-F933 HydrophobicContact CG-CE2 3.93Å; F856-F933 AromaticContact CZ-CE2 3.85Å; F856-F933 HydrophobicContact CZ-CE2 3.85Å; F856-F933 AromaticContact CZ-CZ 3.9Å; F856-F933 HydrophobicContact CZ-CZ 3.9Å |
| 857 | M | 74.1 | Confident | 78.2 | Confident | 27 Ų | 27 | 60 Ų | 60 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 178 | -168.4 | -152.5 | -56.2 | 0 | 0 | 112.3 | I853 I854 G861 I973 F976 | I853-M857 WeakPolarHBondContact O-CB 3.28Å; I853-M857 PolarHBondContact O-N 3.47Å; I854-M857 WeakPolarHBondContact O-CB 3.41Å; I854-M857 PolarHBondContact O-N 3.24Å; M857-G861 PolarHBondContact O-N 3.38Å; M857-I973 HydrophobicContact CE-CD1 3.66Å; M857-I973 HydrophobicContact CE-CG1 3.4Å; M857-I973 VanDerWaalsContact CE-CG1 3.4Å; M857-F976 HydrophobicContact CE-CD1 4.22Å; M857-F976 HydrophobicContact SD-CD1 3.68Å; M857-F976 HydrophobicContact SD-CE1 3.84Å |
| 858 | I | 76.2 | Confident | 76.9 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 46% | 0.456 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 178.3 | -67.4 | 166 | 0 | 0 | 0 | 111 | I854 I855 F856 L860 G861 Y862 | I854-I858 HydrophobicContact CG2-CD1 3.84Å; I854-I858 HydrophobicContact CG2-CG1 4.46Å; I854-I858 WeakPolarHBondContact O-CG1 3.45Å; I854-I858 PolarHBondContact O-N 3.24Å; I855-I858 PolarHBondContact O-N 3.43Å; F856-I858 VanDerWaalsContact C-N 3.32Å; F856-I858 PolarHBondContact O-N 3.32Å; I858-L860 PolarHBondContact O-N 3.44Å; I858-G861 PolarHBondContact O-N 3.35Å; I858-Y862 HydrophobicContact CG2-CD2 3.91Å; I858-Y862 HydrophobicContact CG2-CE2 3.67Å; I858-Y862 VanDerWaalsContact O-CD2 3.27Å; I858-Y862 WeakPolarHBondContact O-CD2 3.42Å; I858-Y862 PolarHBondContact O-N 2.95Å |
| 859 | I | 75.5 | Confident | 76 | Confident | 106 Ų | 106 | 54.7 Ų | 54.7 | 54% | 0.544 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | -179.4 | -66.7 | 165.7 | 0 | 0 | 0 | 110.9 | I855 F856 A863 | I855-I859 HydrophobicContact CG2-CD1 3.9Å; I855-I859 WeakPolarHBondContact O-CG1 3.46Å; I855-I859 PolarHBondContact O-N 2.81Å; F856-I859 PolarHBondContact O-N 2.91Å; I859-A863 PolarHBondContact O-N 2.87Å |
| 860 | L | 72.8 | Confident | 75.3 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.1 | -35.3 | -179 | -77.9 | 151.8 | 0 | 0 | 0 | 112.4 | F856 I858 A863 A864 I922 L925 A929 | F856-L860 HydrophobicContact CB-CD1 4.36Å; F856-L860 HydrophobicContact CD1-CD1 4.25Å; F856-L860 WeakPolarHBondContact O-CB 3.3Å; F856-L860 WeakPolarHBondContact O-CD1 3.15Å; F856-L860 PolarHBondContact O-N 3.4Å; I858-L860 PolarHBondContact O-N 3.44Å; L860-A863 PolarHBondContact O-N 3.1Å; L860-A864 WeakPolarHBondContact O-CB 3.39Å; L860-A864 PolarHBondContact O-N 3.43Å; L860-I922 HydrophobicContact CD2-CG2 4.39Å; L860-L925 HydrophobicContact CD2-CD2 4.33Å; L860-L925 HydrophobicContact CD2-CG 4.33Å; L860-A929 HydrophobicContact CD1-CB 4.09Å |
| 861 | G | 68.4 | Low | 75 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M857 I858 A863 A864 Q865 | M857-G861 PolarHBondContact O-N 3.38Å; I858-G861 PolarHBondContact O-N 3.35Å; G861-A863 VanDerWaalsContact C-N 3.29Å; G861-A863 PolarHBondContact O-N 3.06Å; G861-A864 PolarHBondContact O-N 3.33Å; G861-A864 VanDerWaalsContact O-N 3.16Å; G861-Q865 PolarHBondContact O-N 3.28Å |
| 862 | Y | 70.8 | Confident | 74.2 | Confident | 165 Ų | 165 | 64.3 Ų | 64.3 | 65% | 0.647 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | 174 | -76.4 | -57.9 | 0 | 0 | 0 | 112.4 | I858 S866 | I858-Y862 HydrophobicContact CG2-CD2 3.91Å; I858-Y862 HydrophobicContact CG2-CE2 3.67Å; I858-Y862 VanDerWaalsContact O-CD2 3.27Å; I858-Y862 WeakPolarHBondContact O-CD2 3.42Å; I858-Y862 PolarHBondContact O-N 2.95Å; Y862-S866 PolarHBondContact O-N 3.34Å |
| 863 | A | 69.3 | Low | 73.6 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I859 L860 G861 K867 I922 | I859-A863 PolarHBondContact O-N 2.87Å; L860-A863 PolarHBondContact O-N 3.1Å; G861-A863 VanDerWaalsContact C-N 3.29Å; G861-A863 PolarHBondContact O-N 3.06Å; A863-K867 WeakPolarHBondContact O-CG 3.47Å; A863-I922 HydrophobicContact CB-CD1 4.2Å; A863-I922 HydrophobicContact CB-CG2 4.33Å; A863-I922 WeakPolarHBondContact O-CD1 3.27Å |
| 864 | A | 67.3 | Low | 73 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.9 | -48.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L860 G861 S866 K867 A868 I922 | L860-A864 WeakPolarHBondContact O-CB 3.39Å; L860-A864 PolarHBondContact O-N 3.43Å; G861-A864 PolarHBondContact O-N 3.33Å; G861-A864 VanDerWaalsContact O-N 3.16Å; A864-S866 PolarHBondContact O-N 2.88Å; A864-K867 PolarHBondContact O-N 2.96Å; A864-K867 VanDerWaalsContact O-N 3.12Å; A864-A868 PolarHBondContact O-N 2.85Å; A864-I922 HydrophobicContact CB-CG2 3.96Å |
| 865 | Q | 66.4 | Low | 72.7 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55.2 | -51.7 | 179.7 | -173.1 | -175.6 | -2.7 | 0 | 0 | 111.5 | G861 K867 A868 D869 L984 | G861-Q865 PolarHBondContact O-N 3.28Å; Q865-K867 PolarHBondContact O-N 3.26Å; Q865-K867 VanDerWaalsContact O-N 3.09Å; Q865-A868 WeakPolarHBondContact O-CB 3.5Å; Q865-A868 PolarHBondContact O-N 3.09Å; Q865-D869 PolarHBondContact O-N 2.98Å; Q865-L984 HydrophobicContact CB-CD1 4.01Å; Q865-L984 HydrophobicContact CG-CD1 4.26Å; Q865-L984 HydrophobicContact CG-CD2 4.23Å |
| 866 | S | 70.1 | Confident | 72.3 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 54% | 0.538 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.5 | -24 | -179.3 | -176.5 | 0 | 0 | 0 | 0 | 114.1 | Y862 A864 | Y862-S866 PolarHBondContact O-N 3.34Å; A864-S866 PolarHBondContact O-N 2.88Å |
| 867 | K | 72.7 | Confident | 72 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -84.9 | -35.5 | 172.2 | -61.9 | -54.1 | -178 | -173.1 | 0 | 112.9 | A863 A864 Q865 K870 Q871 T919 I922 | A863-K867 WeakPolarHBondContact O-CG 3.47Å; A864-K867 PolarHBondContact O-N 2.96Å; A864-K867 VanDerWaalsContact O-N 3.12Å; Q865-K867 PolarHBondContact O-N 3.26Å; Q865-K867 VanDerWaalsContact O-N 3.09Å; K867-K870 PolarHBondContact O-N 3.14Å; K867-Q871 WeakPolarHBondContact O-CB 3.38Å; K867-Q871 PolarHBondContact O-N 3.26Å; K867-T919 HydrophobicContact CB-CG2 4.28Å; K867-T919 WeakPolarHBondContact CB-OG1 3.43Å; K867-T919 PolarHBondContact O-OG1 3.26Å; K867-I922 HydrophobicContact CB-CD1 4.5Å; K867-I922 HydrophobicContact CG-CD1 3.52Å |
| 868 | A | 65.2 | Low | 72.2 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -51.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | A864 Q865 K870 Q871 Y872 T919 | A864-A868 PolarHBondContact O-N 2.85Å; Q865-A868 WeakPolarHBondContact O-CB 3.5Å; Q865-A868 PolarHBondContact O-N 3.09Å; A868-K870 PolarHBondContact O-N 3.45Å; A868-K870 VanDerWaalsContact O-N 3.15Å; A868-Q871 WeakPolarHBondContact O-CA 3.31Å; A868-Q871 PolarHBondContact O-N 3.39Å; A868-Y872 PolarHBondContact O-N 2.94Å; A868-T919 HydrophobicContact CB-CG2 4.37Å |
| 869 | D | 71.1 | Confident | 72.1 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 33% | 0.332 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.2 | -37.2 | 179 | -57.3 | -26.1 | 0 | 0 | 0 | 112.4 | Q865 K873 | Q865-D869 PolarHBondContact O-N 2.98Å; D869-K873 WeakPolarHBondContact O-CG 3.46Å; D869-K873 PolarHBondContact O-N 2.71Å |
| 870 | K | 72.8 | Confident | 71.9 | Confident | 144 Ų | 144 | 68.7 Ų | 68.7 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -73.9 | -33.6 | 176.8 | -174.1 | 166.5 | -176 | 168.3 | 0 | 112.5 | K867 A868 V874 | K867-K870 PolarHBondContact O-N 3.14Å; A868-K870 PolarHBondContact O-N 3.45Å; A868-K870 VanDerWaalsContact O-N 3.15Å; K870-V874 WeakPolarHBondContact O-CG2 3.49Å; K870-V874 PolarHBondContact O-N 3.24Å |
| 871 | Q | 80.7 | Confident | 71.9 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.5 | -39.5 | 178.3 | 175.9 | -96.4 | -1 | 0 | 0 | 111.6 | K867 A868 V874 F875 F912 A915 T916 | K867-Q871 WeakPolarHBondContact O-CB 3.38Å; K867-Q871 PolarHBondContact O-N 3.26Å; A868-Q871 WeakPolarHBondContact O-CA 3.31Å; A868-Q871 PolarHBondContact O-N 3.39Å; Q871-V874 PolarHBondContact O-N 3Å; Q871-F875 PolarHBondContact O-N 2.94Å; Q871-F912 HydrophobicContact CG-CD2 4.48Å; Q871-F912 HydrophobicContact CG-CE2 4.06Å; Q871-A915 HydrophobicContact CB-CB 4.02Å; Q871-A915 HydrophobicContact CG-CB 4.15Å; Q871-T916 WeakPolarHBondContact CG-OG1 3.32Å; Q871-T916 PolarHBondContact NE2-OG1 3.19Å |
| 872 | Y | 70 | Confident | 72.2 | Confident | 116 Ų | 116 | 74.1 Ų | 74.1 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 173.6 | -174 | -115.1 | 0 | 0 | 0 | 112.5 | A868 V874 F875 Q876 | A868-Y872 PolarHBondContact O-N 2.94Å; Y872-V874 VanDerWaalsContact C-N 3.28Å; Y872-V874 PolarHBondContact O-N 2.8Å; Y872-F875 WeakPolarHBondContact O-CB 3.49Å; Y872-F875 PolarHBondContact O-N 2.73Å; Y872-F875 VanDerWaalsContact O-N 3.11Å; Y872-Q876 PolarHBondContact O-N 3.14Å |
| 873 | K | 73.1 | Confident | 72.4 | Confident | 142 Ų | 142 | 69.4 Ų | 69.4 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.3 | -32.3 | 176.1 | -72.4 | 178.6 | 179.7 | -179.4 | 0 | 113.5 | D869 V877 | D869-K873 WeakPolarHBondContact O-CG 3.46Å; D869-K873 PolarHBondContact O-N 2.71Å; K873-V877 WeakPolarHBondContact O-CG2 3.34Å; K873-V877 PolarHBondContact O-N 3.17Å |
| 874 | V | 72.2 | Confident | 72.8 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -76.9 | -31 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | K870 Q871 Y872 V877 L878 R911 F912 | K870-V874 WeakPolarHBondContact O-CG2 3.49Å; K870-V874 PolarHBondContact O-N 3.24Å; Q871-V874 PolarHBondContact O-N 3Å; Y872-V874 VanDerWaalsContact C-N 3.28Å; Y872-V874 PolarHBondContact O-N 2.8Å; V874-V877 PolarHBondContact O-N 3.32Å; V874-L878 PolarHBondContact O-N 2.74Å; V874-L878 VanDerWaalsContact O-N 3.09Å; V874-R911 HydrophobicContact CG1-CB 4.13Å; V874-R911 HydrophobicContact CG1-CG 3.97Å; V874-F912 HydrophobicContact CG1-CB 3.92Å |
| 875 | F | 77.2 | Confident | 73.2 | Confident | 96 Ų | 96 | 68.4 Ų | 68.4 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 170.7 | 175.8 | -110.6 | 0 | 0 | 0 | 112.1 | Q871 Y872 V877 L878 S879 F912 | Q871-F875 PolarHBondContact O-N 2.94Å; Y872-F875 WeakPolarHBondContact O-CB 3.49Å; Y872-F875 PolarHBondContact O-N 2.73Å; Y872-F875 VanDerWaalsContact O-N 3.11Å; F875-V877 VanDerWaalsContact C-N 3.34Å; F875-V877 PolarHBondContact O-N 3.44Å; F875-L878 PolarHBondContact O-N 3.17Å; F875-S879 WeakPolarHBondContact O-CB 3.46Å; F875-S879 PolarHBondContact O-N 2.68Å; F875-F912 HydrophobicContact CB-CD2 4Å; F875-F912 HydrophobicContact CB-CE2 3.61Å; F875-F912 HydrophobicContact CB-CZ 4.26Å; F875-F912 HydrophobicContact CD2-CE1 4.28Å; F875-F912 HydrophobicContact CD2-CE2 4.06Å; F875-F912 AromaticContact CD2-CZ 3.83Å; F875-F912 HydrophobicContact CD2-CZ 3.83Å; F875-F912 HydrophobicContact CG-CE2 4.25Å; F875-F912 HydrophobicContact CG-CZ 4.42Å |
| 876 | Q | 73.2 | Confident | 73.8 | Confident | 85 Ų | 85 | 70 Ų | 70 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 177.6 | -69.5 | 177.2 | -39.7 | 0 | 0 | 112.2 | Y872 S879 N880 | Y872-Q876 PolarHBondContact O-N 3.14Å; Q876-S879 PolarHBondContact O-N 3.12Å; Q876-N880 PolarHBondContact O-N 2.7Å; Q876-N880 PolarHBondContact O-OD1 2.75Å |
| 877 | V | 72.2 | Confident | 74.2 | Confident | 77 Ų | 77 | 72.3 Ų | 72.3 | 47% | 0.467 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | K873 V874 F875 H881 T908 | K873-V877 WeakPolarHBondContact O-CG2 3.34Å; K873-V877 PolarHBondContact O-N 3.17Å; V874-V877 PolarHBondContact O-N 3.32Å; F875-V877 VanDerWaalsContact C-N 3.34Å; F875-V877 PolarHBondContact O-N 3.44Å; V877-H881 WeakPolarHBondContact O-CB 3.47Å; V877-H881 PolarHBondContact O-N 3.19Å; V877-H881 VanDerWaalsContact O-N 3.09Å; V877-T908 HydrophobicContact CG1-CG2 4.21Å |
| 878 | L | 78.8 | Confident | 74.6 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.8 | 176.9 | 61.2 | 0 | 0 | 0 | 111.7 | V874 F875 F882 T908 F912 | V874-L878 PolarHBondContact O-N 2.74Å; V874-L878 VanDerWaalsContact O-N 3.09Å; F875-L878 PolarHBondContact O-N 3.17Å; L878-F882 VanDerWaalsContact O-CB 3.22Å; L878-F882 WeakPolarHBondContact O-CB 3.26Å; L878-F882 PolarHBondContact O-N 3.23Å; L878-T908 HydrophobicContact CB-CG2 4.02Å; L878-T908 HydrophobicContact CD1-CG2 3.95Å; L878-F912 HydrophobicContact CD2-CB 3.87Å; L878-F912 HydrophobicContact CD2-CD1 3.66Å; L878-F912 HydrophobicContact CD2-CE1 4.5Å; L878-F912 HydrophobicContact CD2-CG 3.94Å |
| 879 | S | 74 | Confident | 75.5 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 33% | 0.329 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 179.4 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | F875 Q876 F882 I883 | F875-S879 WeakPolarHBondContact O-CB 3.46Å; F875-S879 PolarHBondContact O-N 2.68Å; Q876-S879 PolarHBondContact O-N 3.12Å; S879-F882 PolarHBondContact O-N 3.07Å; S879-I883 WeakPolarHBondContact O-CG1 3.31Å; S879-I883 PolarHBondContact O-N 2.96Å |
| 880 | N | 71.7 | Confident | 76.1 | Confident | 111 Ų | 111 | 72 Ų | 72 | 59% | 0.594 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.8 | -46.6 | -178.3 | -67.8 | 5 | 0 | 0 | 0 | 111.7 | Q876 F882 I883 D884 | Q876-N880 PolarHBondContact O-N 2.7Å; Q876-N880 PolarHBondContact O-OD1 2.75Å; N880-F882 VanDerWaalsContact C-N 3.3Å; N880-F882 PolarHBondContact O-N 3.49Å; N880-I883 PolarHBondContact O-N 2.91Å; N880-D884 PolarHBondContact O-N 3.37Å |
| 881 | H | 71.9 | Confident | 76.8 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 177.7 | -167.4 | -51.3 | 0 | 0 | 0 | 111.6 | V877 S885 Y901 S904 | V877-H881 WeakPolarHBondContact O-CB 3.47Å; V877-H881 PolarHBondContact O-N 3.19Å; V877-H881 VanDerWaalsContact O-N 3.09Å; H881-S885 PolarHBondContact ND1-OG 3.17Å; H881-S885 WeakPolarHBondContact O-CB 3.46Å; H881-S885 PolarHBondContact O-N 2.94Å; H881-S885 PolarHBondContact O-OG 2.78Å; H881-Y901 AromaticContact CE1-CE1 3.59Å; H881-S904 PolarHBondContact CE1-OG 3.26Å; H881-S904 PolarHBondContact NE2-OG 3.14Å |
| 882 | F | 74.7 | Confident | 77 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 43% | 0.434 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 178.2 | -177.9 | -107.9 | 0 | 0 | 0 | 112.5 | L878 S879 N880 S885 L886 I905 | L878-F882 VanDerWaalsContact O-CB 3.22Å; L878-F882 WeakPolarHBondContact O-CB 3.26Å; L878-F882 PolarHBondContact O-N 3.23Å; S879-F882 PolarHBondContact O-N 3.07Å; N880-F882 VanDerWaalsContact C-N 3.3Å; N880-F882 PolarHBondContact O-N 3.49Å; F882-S885 PolarHBondContact O-N 3.49Å; F882-L886 HydrophobicContact CD1-CD1 3.96Å; F882-L886 HydrophobicContact CE1-CD1 3.46Å; F882-L886 VanDerWaalsContact CE1-CD1 3.46Å; F882-L886 HydrophobicContact CE1-CG 4.38Å; F882-L886 HydrophobicContact CE2-CD1 4.31Å; F882-L886 HydrophobicContact CE2-CG 4.47Å; F882-L886 HydrophobicContact CZ-CD1 3.67Å; F882-L886 HydrophobicContact CZ-CG 4.29Å; F882-L886 WeakPolarHBondContact O-CG 3.22Å; F882-L886 PolarHBondContact O-N 3.18Å; F882-I905 HydrophobicContact CD2-CG2 4.42Å |
| 883 | I | 75.3 | Confident | 77.7 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 34% | 0.344 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 177.1 | -66.9 | -64.8 | 0 | 0 | 0 | 111.5 | S879 N880 L886 R887 | S879-I883 WeakPolarHBondContact O-CG1 3.31Å; S879-I883 PolarHBondContact O-N 2.96Å; N880-I883 PolarHBondContact O-N 2.91Å; I883-L886 PolarHBondContact O-N 2.89Å; I883-R887 WeakPolarHBondContact O-CG 3.3Å; I883-R887 PolarHBondContact O-N 3.39Å |
| 884 | D | 77.3 | Confident | 78.4 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.6 | -165.4 | 49 | 0 | 0 | 0 | 111.8 | N880 L886 R887 G888 Y1503 F1505 H1506 | N880-D884 PolarHBondContact O-N 3.37Å; D884-L886 VanDerWaalsContact C-N 3.34Å; D884-L886 PolarHBondContact O-N 3.08Å; D884-R887 PolarHBondContact O-N 3.06Å; D884-G888 PolarHBondContact O-N 3.39Å; D884-Y1503 VanDerWaalsContact OD1-CE1 3.28Å; D884-Y1503 WeakPolarHBondContact OD1-CE1 3.37Å; D884-Y1503 PolarHBondContact OD1-OH 3.36Å; D884-F1505 WeakPolarHBondContact OD2-CA 3.43Å; D884-F1505 WeakPolarHBondContact OD2-CB 3.4Å; D884-H1506 PolarHBondContact OD2-N 2.85Å |
| 885 | S | 77.5 | Confident | 79.1 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 174.2 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | H881 F882 I889 Y901 | H881-S885 PolarHBondContact ND1-OG 3.17Å; H881-S885 WeakPolarHBondContact O-CB 3.46Å; H881-S885 PolarHBondContact O-N 2.94Å; H881-S885 PolarHBondContact O-OG 2.78Å; F882-S885 PolarHBondContact O-N 3.49Å; S885-I889 PolarHBondContact O-N 3.43Å; S885-Y901 WeakPolarHBondContact OG-CE1 3.38Å |
| 886 | L | 78.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 179.5 | -79.1 | 178.6 | 0 | 0 | 0 | 112.7 | F882 I883 D884 I889 | F882-L886 HydrophobicContact CD1-CD1 3.96Å; F882-L886 HydrophobicContact CE1-CD1 3.46Å; F882-L886 VanDerWaalsContact CE1-CD1 3.46Å; F882-L886 HydrophobicContact CE1-CG 4.38Å; F882-L886 HydrophobicContact CE2-CD1 4.31Å; F882-L886 HydrophobicContact CE2-CG 4.47Å; F882-L886 HydrophobicContact CZ-CD1 3.67Å; F882-L886 HydrophobicContact CZ-CG 4.29Å; F882-L886 WeakPolarHBondContact O-CG 3.22Å; F882-L886 PolarHBondContact O-N 3.18Å; I883-L886 PolarHBondContact O-N 2.89Å; D884-L886 VanDerWaalsContact C-N 3.34Å; D884-L886 PolarHBondContact O-N 3.08Å; L886-I889 VanDerWaalsContact O-CG2 3.32Å; L886-I889 WeakPolarHBondContact O-CG2 3.37Å |
| 887 | R | 78.9 | Confident | 79.5 | Confident | 125 Ų | 125 | 49.3 Ų | 49.3 | 47% | 0.472 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -72.7 | -31.9 | 178.2 | -68.7 | -171.5 | -165.3 | 162.1 | 17.1 | 112.8 | I883 D884 Y1503 E1551 | I883-R887 WeakPolarHBondContact O-CG 3.3Å; I883-R887 PolarHBondContact O-N 3.39Å; D884-R887 PolarHBondContact O-N 3.06Å; R887-Y1503 HydrophobicContact CB-CD2 4.39Å; R887-Y1503 HydrophobicContact CB-CE1 4.47Å; R887-Y1503 HydrophobicContact CB-CE2 3.58Å; R887-E1551 IonicContact CZ-OE1 3.71Å; R887-E1551 IonicContact NH1-OE1 3.82Å; R887-E1551 PolarHBondContact NH1-OE1 2.93Å; R887-E1551 IonicContact NH2-OE1 2.69Å; R887-E1551 PolarHBondContact NH2-OE1 3.15Å |
| 888 | G | 81.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 4.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | D884 D890 T891 L892 F1505 | D884-G888 PolarHBondContact O-N 3.39Å; G888-D890 VanDerWaalsContact C-N 3.3Å; G888-D890 PolarHBondContact O-N 3.47Å; G888-D890 VanDerWaalsContact O-N 3.16Å; G888-T891 WeakPolarHBondContact O-CA 3.46Å; G888-T891 WeakPolarHBondContact O-CB 3.49Å; G888-T891 PolarHBondContact O-N 3.11Å; G888-L892 PolarHBondContact O-N 3.32Å; G888-F1505 WeakPolarHBondContact O-CZ 3.34Å |
| 889 | I | 84.2 | Confident | 79.4 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56 | -38.7 | -167.3 | -167.2 | 170.3 | 0 | 0 | 0 | 114.1 | S885 L886 T891 L892 K893 | S885-I889 PolarHBondContact O-N 3.43Å; L886-I889 VanDerWaalsContact O-CG2 3.32Å; L886-I889 WeakPolarHBondContact O-CG2 3.37Å; I889-T891 VanDerWaalsContact C-N 3.32Å; I889-T891 PolarHBondContact O-N 3.4Å; I889-L892 PolarHBondContact O-N 2.94Å; I889-K893 PolarHBondContact O-N 3.3Å |
| 890 | D | 82.5 | Confident | 79.2 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.8 | -33.6 | 179 | -61.3 | -42 | 0 | 0 | 0 | 111.5 | G888 K893 F894 | G888-D890 VanDerWaalsContact C-N 3.3Å; G888-D890 PolarHBondContact O-N 3.47Å; G888-D890 VanDerWaalsContact O-N 3.16Å; D890-K893 PolarHBondContact O-N 3.09Å; D890-F894 HydrophobicContact CB-CE2 4.22Å; D890-F894 HydrophobicContact CB-CZ 4Å; D890-F894 WeakPolarHBondContact O-CD1 3.49Å; D890-F894 VanDerWaalsContact O-CD2 3.26Å; D890-F894 WeakPolarHBondContact O-CD2 3.49Å; D890-F894 WeakPolarHBondContact O-CG 3.47Å; D890-F894 PolarHBondContact O-N 3.47Å |
| 891 | T | 87.2 | Confident | 79.3 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 170.3 | -59 | 0 | 0 | 0 | 0 | 110.9 | G888 I889 K893 F894 F895 F1505 | G888-T891 WeakPolarHBondContact O-CA 3.46Å; G888-T891 WeakPolarHBondContact O-CB 3.49Å; G888-T891 PolarHBondContact O-N 3.11Å; I889-T891 VanDerWaalsContact C-N 3.32Å; I889-T891 PolarHBondContact O-N 3.4Å; T891-K893 PolarHBondContact O-N 3.3Å; T891-F894 PolarHBondContact O-N 2.98Å; T891-F895 HydrophobicContact CG2-CD2 4.12Å; T891-F895 HydrophobicContact CG2-CE2 4.12Å; T891-F895 WeakPolarHBondContact O-CD2 3.27Å; T891-F895 PolarHBondContact O-N 3.38Å; T891-F1505 HydrophobicContact CG2-CE2 4Å; T891-F1505 HydrophobicContact CG2-CZ 4.47Å |
| 892 | L | 86.3 | Confident | 79.3 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -30.2 | 176.3 | -59.9 | 178.3 | 0 | 0 | 0 | 112.8 | G888 I889 G896 I897 S898 Y901 F1505 | G888-L892 PolarHBondContact O-N 3.32Å; I889-L892 PolarHBondContact O-N 2.94Å; L892-G896 PolarHBondContact O-N 3.5Å; L892-I897 HydrophobicContact CB-CG1 4.43Å; L892-I897 HydrophobicContact CD2-CD1 3.82Å; L892-I897 HydrophobicContact CD2-CG1 4.04Å; L892-I897 PolarHBondContact O-N 3.24Å; L892-S898 PolarHBondContact O-N 3.05Å; L892-Y901 HydrophobicContact CD1-CD1 3.57Å; L892-Y901 HydrophobicContact CD1-CE1 4.15Å; L892-Y901 HydrophobicContact CD1-CG 3.79Å; L892-Y901 HydrophobicContact CD2-CD1 4.42Å; L892-Y901 HydrophobicContact CD2-CD2 3.96Å; L892-Y901 HydrophobicContact CD2-CE2 4.32Å; L892-Y901 HydrophobicContact CD2-CG 4.02Å; L892-F1505 HydrophobicContact CD1-CE1 4.21Å; L892-F1505 HydrophobicContact CD1-CZ 4.37Å; L892-F1505 HydrophobicContact CD2-CE1 3.93Å; L892-F1505 HydrophobicContact CD2-CE2 4.15Å; L892-F1505 HydrophobicContact CD2-CZ 3.5Å; L892-F1505 VanDerWaalsContact CD2-CZ 3.5Å; L892-F1505 HydrophobicContact CG-CE1 4.01Å; L892-F1505 HydrophobicContact CG-CZ 3.66Å |
| 893 | K | 83.9 | Confident | 79.2 | Confident | 91 Ų | 91 | 53.8 Ų | 53.8 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.7 | -44.7 | 173 | -75.1 | 178.9 | 173.5 | -178.7 | 0 | 112.9 | I889 D890 T891 F895 G896 | I889-K893 PolarHBondContact O-N 3.3Å; D890-K893 PolarHBondContact O-N 3.09Å; T891-K893 PolarHBondContact O-N 3.3Å; K893-F895 PolarHBondContact O-N 3.08Å; K893-G896 PolarHBondContact O-N 3.38Å |
| 894 | F | 87 | Confident | 79 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -23.4 | -178.1 | -59.8 | -21.9 | 0 | 0 | 0 | 113.5 | D890 T891 R1467 S1492 V1497 H1499 | D890-F894 HydrophobicContact CB-CE2 4.22Å; D890-F894 HydrophobicContact CB-CZ 4Å; D890-F894 WeakPolarHBondContact O-CD1 3.49Å; D890-F894 VanDerWaalsContact O-CD2 3.26Å; D890-F894 WeakPolarHBondContact O-CD2 3.49Å; D890-F894 WeakPolarHBondContact O-CG 3.47Å; D890-F894 PolarHBondContact O-N 3.47Å; T891-F894 PolarHBondContact O-N 2.98Å; F894-R1467 VanDerWaalsContact CE1-CZ 3.44Å; F894-S1492 WeakPolarHBondContact O-CB 3.42Å; F894-V1497 HydrophobicContact CB-CB 3.95Å; F894-V1497 HydrophobicContact CB-CG2 4.06Å; F894-V1497 HydrophobicContact CD1-CB 4.38Å; F894-V1497 HydrophobicContact CD1-CG1 4.47Å; F894-V1497 HydrophobicContact CD1-CG2 4.18Å; F894-V1497 HydrophobicContact CD2-CB 4.03Å; F894-V1497 HydrophobicContact CD2-CG1 3.99Å; F894-V1497 HydrophobicContact CE2-CG1 4.2Å; F894-V1497 HydrophobicContact CG-CB 3.86Å; F894-V1497 HydrophobicContact CG-CG1 4.15Å; F894-V1497 HydrophobicContact CG-CG2 4.05Å; F894-H1499 HydrophobicContact CE2-CB 4.05Å |
| 895 | F | 87.5 | Confident | 78.9 | Confident | 19 Ų | 19 | 54 Ų | 54 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -1.6 | 171.1 | -69.2 | -76.5 | 0 | 0 | 0 | 113.9 | T891 K893 I897 S1492 I1515 R1568 I1569 Q1572 | T891-F895 HydrophobicContact CG2-CD2 4.12Å; T891-F895 HydrophobicContact CG2-CE2 4.12Å; T891-F895 WeakPolarHBondContact O-CD2 3.27Å; T891-F895 PolarHBondContact O-N 3.38Å; K893-F895 PolarHBondContact O-N 3.08Å; F895-I897 HydrophobicContact CB-CG1 4.32Å; F895-I897 PolarHBondContact O-N 3.28Å; F895-I897 VanDerWaalsContact O-N 3.12Å; F895-S1492 PolarHBondContact O-OG 2.78Å; F895-I1515 HydrophobicContact CB-CG2 4.17Å; F895-I1515 WeakPolarHBondContact CB-O 3.31Å; F895-I1515 WeakPolarHBondContact CD1-O 3.22Å; F895-I1515 HydrophobicContact CD2-CG2 3.48Å; F895-I1515 VanDerWaalsContact CD2-CG2 3.48Å; F895-I1515 HydrophobicContact CE2-CG2 4.07Å; F895-I1515 HydrophobicContact CG-CG2 3.79Å; F895-I1515 WeakPolarHBondContact CG-O 3.49Å; F895-R1568 HydrophobicContact CE1-CB 3.72Å; F895-R1568 HydrophobicContact CE2-CB 4.19Å; F895-R1568 HydrophobicContact CZ-CB 3.37Å; F895-R1568 HydrophobicContact CZ-CG 4.26Å; F895-I1569 HydrophobicContact CE1-CD1 3.77Å; F895-I1569 HydrophobicContact CZ-CD1 3.69Å; F895-I1569 HydrophobicContact CZ-CG1 4.4Å; F895-Q1572 HydrophobicContact CD1-CG 4.29Å; F895-Q1572 HydrophobicContact CE1-CB 4.46Å; F895-Q1572 HydrophobicContact CE1-CG 4.46Å; F895-Q1572 VanDerWaalsContact CE1-OE1 3.25Å |
| 896 | G | 80 | Confident | 78.9 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 74.8 | -14.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L892 K893 S898 | L892-G896 PolarHBondContact O-N 3.5Å; K893-G896 PolarHBondContact O-N 3.38Å; G896-S898 PolarHBondContact O-N 3.31Å |
| 897 | I | 79.4 | Confident | 78.9 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 1.9 | -175.9 | 67.5 | 171.9 | 0 | 0 | 0 | 115 | L892 F895 K899 Q900 Y901 I1515 | L892-I897 HydrophobicContact CB-CG1 4.43Å; L892-I897 HydrophobicContact CD2-CD1 3.82Å; L892-I897 HydrophobicContact CD2-CG1 4.04Å; L892-I897 PolarHBondContact O-N 3.24Å; F895-I897 HydrophobicContact CB-CG1 4.32Å; F895-I897 PolarHBondContact O-N 3.28Å; F895-I897 VanDerWaalsContact O-N 3.12Å; I897-K899 VanDerWaalsContact C-N 3.26Å; I897-K899 PolarHBondContact O-N 3.33Å; I897-K899 VanDerWaalsContact O-N 3.16Å; I897-Q900 PolarHBondContact O-N 3.36Å; I897-Y901 PolarHBondContact O-N 3.08Å; I897-I1515 HydrophobicContact CD1-CB 4.22Å; I897-I1515 HydrophobicContact CD1-CG1 4.02Å; I897-I1515 HydrophobicContact CD1-CG2 3.92Å |
| 898 | S | 77.4 | Confident | 78.6 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -50.6 | -41.7 | -176.4 | 80.1 | 0 | 0 | 0 | 0 | 113.5 | L892 G896 S902 D1489 | L892-S898 PolarHBondContact O-N 3.05Å; G896-S898 PolarHBondContact O-N 3.31Å; S898-S902 PolarHBondContact O-N 2.97Å; S898-D1489 PolarHBondContact OG-OD1 2.79Å |
| 899 | K | 72 | Confident | 78.5 | Confident | 149 Ų | 149 | 53.4 Ų | 53.4 | 65% | 0.648 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | 176.9 | -73.5 | 163.7 | 172.8 | 158.4 | 0 | 112.7 | I897 S902 D1489 | I897-K899 VanDerWaalsContact C-N 3.26Å; I897-K899 PolarHBondContact O-N 3.33Å; I897-K899 VanDerWaalsContact O-N 3.16Å; K899-S902 WeakPolarHBondContact O-CB 3.44Å; K899-S902 PolarHBondContact O-N 3.27Å; K899-D1489 WeakPolarHBondContact CE-OD2 3.32Å; K899-D1489 IonicContact NZ-OD2 3.07Å; K899-D1489 PolarHBondContact NZ-OD2 3.04Å |
| 900 | Q | 69.1 | Low | 78.5 | Confident | 111 Ų | 111 | 51.3 Ų | 51.3 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 178.6 | -70.6 | 160.4 | -45.1 | 0 | 0 | 110.7 | I897 S902 K903 | I897-Q900 PolarHBondContact O-N 3.36Å; Q900-S902 PolarHBondContact O-N 3.11Å; Q900-K903 WeakPolarHBondContact O-CB 3.43Å; Q900-K903 PolarHBondContact O-N 3.16Å |
| 901 | Y | 73 | Confident | 78.4 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -29 | 179.5 | -148.8 | -95.7 | 0 | 0 | 0 | 113 | H881 S885 L892 I897 K903 S904 I905 | H881-Y901 AromaticContact CE1-CE1 3.59Å; S885-Y901 WeakPolarHBondContact OG-CE1 3.38Å; L892-Y901 HydrophobicContact CD1-CD1 3.57Å; L892-Y901 HydrophobicContact CD1-CE1 4.15Å; L892-Y901 HydrophobicContact CD1-CG 3.79Å; L892-Y901 HydrophobicContact CD2-CD1 4.42Å; L892-Y901 HydrophobicContact CD2-CD2 3.96Å; L892-Y901 HydrophobicContact CD2-CE2 4.32Å; L892-Y901 HydrophobicContact CD2-CG 4.02Å; I897-Y901 PolarHBondContact O-N 3.08Å; Y901-K903 PolarHBondContact O-N 2.95Å; Y901-S904 WeakPolarHBondContact O-CB 3.31Å; Y901-S904 PolarHBondContact O-N 3.36Å; Y901-I905 PolarHBondContact O-N 3.09Å |
| 902 | S | 72.3 | Confident | 78.1 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.2 | -28.6 | 171.5 | -165.7 | 0 | 0 | 0 | 0 | 113.3 | S898 K899 Q900 S904 I905 F906 | S898-S902 PolarHBondContact O-N 2.97Å; K899-S902 WeakPolarHBondContact O-CB 3.44Å; K899-S902 PolarHBondContact O-N 3.27Å; Q900-S902 PolarHBondContact O-N 3.11Å; S902-S904 VanDerWaalsContact C-N 3.31Å; S902-S904 PolarHBondContact O-N 3.33Å; S902-I905 PolarHBondContact O-N 2.71Å; S902-F906 WeakPolarHBondContact O-CB 3.19Å; S902-F906 PolarHBondContact O-N 2.98Å |
| 903 | K | 73.3 | Confident | 78 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 174.8 | -158.7 | 161.8 | -174.8 | 172.9 | 0 | 111.3 | D149 E151 Q900 Y901 F906 T907 | D149-K903 IonicContact OD1-NZ 2.88Å; D149-K903 PolarHBondContact OD1-NZ 2.75Å; D149-K903 VanDerWaalsContact OD1-NZ 3.11Å; D149-K903 IonicContact OD2-NZ 3.3Å; D149-K903 PolarHBondContact OD2-NZ 3.08Å; E151-K903 WeakPolarHBondContact OE1-CE 3.17Å; E151-K903 WeakPolarHBondContact OE1-CG 3.42Å; E151-K903 VanDerWaalsContact OE2-CE 3.31Å; E151-K903 WeakPolarHBondContact OE2-CE 3.39Å; Q900-K903 WeakPolarHBondContact O-CB 3.43Å; Q900-K903 PolarHBondContact O-N 3.16Å; Y901-K903 PolarHBondContact O-N 2.95Å; K903-F906 PolarHBondContact O-N 2.72Å; K903-T907 WeakPolarHBondContact O-CG2 3.25Å; K903-T907 PolarHBondContact O-N 3.12Å; K903-T907 PolarHBondContact O-OG1 3.41Å; K903-T907 VanDerWaalsContact O-OG1 3.1Å |
| 904 | S | 70.6 | Confident | 78 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 172.9 | -167.3 | 0 | 0 | 0 | 0 | 113.1 | H881 Y901 S902 F906 T907 T908 | H881-S904 PolarHBondContact CE1-OG 3.26Å; H881-S904 PolarHBondContact NE2-OG 3.14Å; Y901-S904 WeakPolarHBondContact O-CB 3.31Å; Y901-S904 PolarHBondContact O-N 3.36Å; S902-S904 VanDerWaalsContact C-N 3.31Å; S902-S904 PolarHBondContact O-N 3.33Å; S904-F906 VanDerWaalsContact C-N 3.34Å; S904-F906 PolarHBondContact O-N 2.8Å; S904-T907 PolarHBondContact O-OG1 2.74Å; S904-T907 VanDerWaalsContact O-OG1 3.06Å; S904-T908 WeakPolarHBondContact O-CB 3.39Å; S904-T908 PolarHBondContact O-N 3.32Å; S904-T908 PolarHBondContact O-OG1 2.93Å |
| 905 | I | 75.3 | Confident | 77.5 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.3 | -56.5 | 176.7 | 0 | 0 | 0 | 110 | F882 Y901 S902 T908 S909 | F882-I905 HydrophobicContact CD2-CG2 4.42Å; Y901-I905 PolarHBondContact O-N 3.09Å; S902-I905 PolarHBondContact O-N 2.71Å; I905-T908 PolarHBondContact O-N 2.87Å; I905-S909 VanDerWaalsContact O-CB 3.25Å; I905-S909 WeakPolarHBondContact O-CB 3.23Å; I905-S909 PolarHBondContact O-N 3.1Å |
| 906 | F | 77.3 | Confident | 77 | Confident | 93 Ų | 93 | 61.1 Ų | 61.1 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 177.6 | -179.4 | -116 | 0 | 0 | 0 | 112.9 | E151 K155 S902 K903 S904 T908 S909 E910 | E151-F906 VanDerWaalsContact OE2-CD1 3.31Å; E151-F906 WeakPolarHBondContact OE2-CD1 3.3Å; E151-F906 WeakPolarHBondContact OE2-CE1 3.38Å; K155-F906 HydrophobicContact CD-CE1 4.4Å; S902-F906 WeakPolarHBondContact O-CB 3.19Å; S902-F906 PolarHBondContact O-N 2.98Å; K903-F906 PolarHBondContact O-N 2.72Å; S904-F906 VanDerWaalsContact C-N 3.34Å; S904-F906 PolarHBondContact O-N 2.8Å; F906-T908 VanDerWaalsContact C-N 3.34Å; F906-T908 PolarHBondContact O-N 3.33Å; F906-S909 PolarHBondContact O-N 2.91Å; F906-E910 WeakPolarHBondContact O-CB 3.31Å; F906-E910 PolarHBondContact O-N 2.97Å |
| 907 | T | 77.5 | Confident | 77.1 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 31% | 0.307 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 178 | 52 | 0 | 0 | 0 | 0 | 112.7 | E151 K903 S904 E910 R911 | E151-T907 HydrophobicContact CG-CG2 4.38Å; E151-T907 WeakPolarHBondContact OE1-CG2 3.44Å; K903-T907 WeakPolarHBondContact O-CG2 3.25Å; K903-T907 PolarHBondContact O-N 3.12Å; K903-T907 PolarHBondContact O-OG1 3.41Å; K903-T907 VanDerWaalsContact O-OG1 3.1Å; S904-T907 PolarHBondContact O-OG1 2.74Å; S904-T907 VanDerWaalsContact O-OG1 3.06Å; T907-E910 PolarHBondContact O-N 3.49Å; T907-R911 PolarHBondContact O-N 2.9Å |
| 908 | T | 73.9 | Confident | 76.9 | Confident | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | V877 L878 S904 I905 F906 R911 F912 | V877-T908 HydrophobicContact CG1-CG2 4.21Å; L878-T908 HydrophobicContact CB-CG2 4.02Å; L878-T908 HydrophobicContact CD1-CG2 3.95Å; S904-T908 WeakPolarHBondContact O-CB 3.39Å; S904-T908 PolarHBondContact O-N 3.32Å; S904-T908 PolarHBondContact O-OG1 2.93Å; I905-T908 PolarHBondContact O-N 2.87Å; F906-T908 VanDerWaalsContact C-N 3.34Å; F906-T908 PolarHBondContact O-N 3.33Å; T908-R911 WeakPolarHBondContact O-CB 3.43Å; T908-R911 PolarHBondContact O-N 2.93Å; T908-F912 PolarHBondContact O-N 2.98Å; T908-F912 VanDerWaalsContact O-N 3.08Å |
| 909 | S | 78.4 | Confident | 76.7 | Confident | 53 Ų | 53 | 66 Ų | 66 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | I905 F906 R911 F912 R913 | I905-S909 VanDerWaalsContact O-CB 3.25Å; I905-S909 WeakPolarHBondContact O-CB 3.23Å; I905-S909 PolarHBondContact O-N 3.1Å; F906-S909 PolarHBondContact O-N 2.91Å; S909-R911 PolarHBondContact O-N 3.31Å; S909-F912 WeakPolarHBondContact O-CB 3.3Å; S909-F912 PolarHBondContact O-N 3.03Å; S909-R913 WeakPolarHBondContact O-CB 3.3Å; S909-R913 PolarHBondContact O-N 3.18Å |
| 910 | E | 84.5 | Confident | 76.9 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 173.6 | -86.1 | -69.2 | 161.2 | 0 | 0 | 113.2 | K155 F906 T907 F912 R913 K914 | K155-E910 HydrophobicContact CD-CG 4.27Å; K155-E910 WeakPolarHBondContact CE-OE1 3.31Å; K155-E910 WeakPolarHBondContact CE-OE2 3.33Å; K155-E910 IonicContact NZ-OE1 3.87Å; K155-E910 PolarHBondContact NZ-OE1 3.11Å; K155-E910 IonicContact NZ-OE2 3.24Å; F906-E910 WeakPolarHBondContact O-CB 3.31Å; F906-E910 PolarHBondContact O-N 2.97Å; T907-E910 PolarHBondContact O-N 3.49Å; E910-F912 VanDerWaalsContact C-N 3.33Å; E910-R913 VanDerWaalsContact CD-NE 3.29Å; E910-R913 PolarHBondContact O-N 3.36Å; E910-R913 IonicContact OE1-CZ 3.08Å; E910-R913 IonicContact OE1-NE 2.74Å; E910-R913 PolarHBondContact OE1-NE 3.32Å; E910-R913 IonicContact OE1-NH2 2.61Å; E910-R913 IonicContact OE2-CZ 2.79Å; E910-R913 VanDerWaalsContact OE2-CZ 3.28Å; E910-R913 IonicContact OE2-NE 3.79Å; E910-R913 PolarHBondContact OE2-NE 3.07Å; E910-R913 IonicContact OE2-NH2 2.66Å; E910-R913 PolarHBondContact OE2-NH2 2.94Å; E910-K914 WeakPolarHBondContact O-CB 3.23Å; E910-K914 WeakPolarHBondContact O-CG 3.49Å; E910-K914 PolarHBondContact O-N 3.4Å |
| 911 | R | 79.5 | Confident | 77.3 | Confident | 146 Ų | 146 | 65 Ų | 65 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 172.5 | -162.6 | -178.2 | -63.2 | 167.8 | 2.4 | 110.7 | V874 T907 T908 S909 A915 | V874-R911 HydrophobicContact CG1-CB 4.13Å; V874-R911 HydrophobicContact CG1-CG 3.97Å; T907-R911 PolarHBondContact O-N 2.9Å; T908-R911 WeakPolarHBondContact O-CB 3.43Å; T908-R911 PolarHBondContact O-N 2.93Å; S909-R911 PolarHBondContact O-N 3.31Å; R911-A915 WeakPolarHBondContact O-CB 3.46Å; R911-A915 PolarHBondContact O-N 2.99Å |
| 912 | F | 81.8 | Confident | 77.3 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 175 | 178.2 | -121.8 | 0 | 0 | 0 | 112.6 | Q871 V874 F875 L878 T908 S909 E910 K914 A915 T916 | Q871-F912 HydrophobicContact CG-CD2 4.48Å; Q871-F912 HydrophobicContact CG-CE2 4.06Å; V874-F912 HydrophobicContact CG1-CB 3.92Å; F875-F912 HydrophobicContact CB-CD2 4Å; F875-F912 HydrophobicContact CB-CE2 3.61Å; F875-F912 HydrophobicContact CB-CZ 4.26Å; F875-F912 HydrophobicContact CD2-CE1 4.28Å; F875-F912 HydrophobicContact CD2-CE2 4.06Å; F875-F912 AromaticContact CD2-CZ 3.83Å; F875-F912 HydrophobicContact CD2-CZ 3.83Å; F875-F912 HydrophobicContact CG-CE2 4.25Å; F875-F912 HydrophobicContact CG-CZ 4.42Å; L878-F912 HydrophobicContact CD2-CB 3.87Å; L878-F912 HydrophobicContact CD2-CD1 3.66Å; L878-F912 HydrophobicContact CD2-CE1 4.5Å; L878-F912 HydrophobicContact CD2-CG 3.94Å; T908-F912 PolarHBondContact O-N 2.98Å; T908-F912 VanDerWaalsContact O-N 3.08Å; S909-F912 WeakPolarHBondContact O-CB 3.3Å; S909-F912 PolarHBondContact O-N 3.03Å; E910-F912 VanDerWaalsContact C-N 3.33Å; F912-K914 PolarHBondContact O-N 3.27Å; F912-A915 PolarHBondContact O-N 2.93Å; F912-T916 WeakPolarHBondContact CE2-OG1 3.43Å; F912-T916 WeakPolarHBondContact O-CB 3.34Å; F912-T916 PolarHBondContact O-N 3.08Å; F912-T916 PolarHBondContact O-OG1 3.29Å |
| 913 | R | 84.7 | Confident | 77.1 | Confident | 106 Ų | 106 | 61.9 Ų | 61.9 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 175.9 | -167.8 | -172 | 68.2 | 75.3 | 4.9 | 111.5 | S909 E910 A915 T916 M917 | S909-R913 WeakPolarHBondContact O-CB 3.3Å; S909-R913 PolarHBondContact O-N 3.18Å; E910-R913 VanDerWaalsContact CD-NE 3.29Å; E910-R913 PolarHBondContact O-N 3.36Å; E910-R913 IonicContact OE1-CZ 3.08Å; E910-R913 IonicContact OE1-NE 2.74Å; E910-R913 PolarHBondContact OE1-NE 3.32Å; E910-R913 IonicContact OE1-NH2 2.61Å; E910-R913 IonicContact OE2-CZ 2.79Å; E910-R913 VanDerWaalsContact OE2-CZ 3.28Å; E910-R913 IonicContact OE2-NE 3.79Å; E910-R913 PolarHBondContact OE2-NE 3.07Å; E910-R913 IonicContact OE2-NH2 2.66Å; E910-R913 PolarHBondContact OE2-NH2 2.94Å; R913-A915 PolarHBondContact O-N 2.96Å; R913-T916 PolarHBondContact O-N 2.96Å; R913-M917 WeakPolarHBondContact O-CB 3.44Å; R913-M917 VanDerWaalsContact O-CG 3.26Å; R913-M917 WeakPolarHBondContact O-CG 3.41Å; R913-M917 PolarHBondContact O-N 3.31Å |
| 914 | K | 83.2 | Confident | 77.1 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.1 | -75.9 | 177.5 | 177.1 | -177.1 | 0 | 112 | K155 E910 F912 S918 | K155-K914 WeakPolarHBondContact O-CE 3.31Å; K155-K914 PolarHBondContact O-NZ 3.27Å; E910-K914 WeakPolarHBondContact O-CB 3.23Å; E910-K914 WeakPolarHBondContact O-CG 3.49Å; E910-K914 PolarHBondContact O-N 3.4Å; F912-K914 PolarHBondContact O-N 3.27Å; K914-S918 PolarHBondContact O-N 2.69Å; K914-S918 VanDerWaalsContact O-N 3.16Å |
| 915 | A | 77.5 | Confident | 77.3 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -52.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q871 R911 F912 R913 M917 S918 T919 | Q871-A915 HydrophobicContact CB-CB 4.02Å; Q871-A915 HydrophobicContact CG-CB 4.15Å; R911-A915 WeakPolarHBondContact O-CB 3.46Å; R911-A915 PolarHBondContact O-N 2.99Å; F912-A915 PolarHBondContact O-N 2.93Å; R913-A915 PolarHBondContact O-N 2.96Å; A915-M917 PolarHBondContact O-N 3.2Å; A915-S918 WeakPolarHBondContact O-CA 3.48Å; A915-S918 WeakPolarHBondContact O-CB 3.48Å; A915-S918 PolarHBondContact O-N 3.38Å; A915-S918 PolarHBondContact O-OG 3.15Å; A915-T919 PolarHBondContact O-N 2.87Å; A915-T919 VanDerWaalsContact O-N 3.11Å; A915-T919 PolarHBondContact O-OG1 3.14Å |
| 916 | T | 77.5 | Confident | 77 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | Q871 F912 R913 S918 T919 L920 | Q871-T916 WeakPolarHBondContact CG-OG1 3.32Å; Q871-T916 PolarHBondContact NE2-OG1 3.19Å; F912-T916 WeakPolarHBondContact CE2-OG1 3.43Å; F912-T916 WeakPolarHBondContact O-CB 3.34Å; F912-T916 PolarHBondContact O-N 3.08Å; F912-T916 PolarHBondContact O-OG1 3.29Å; R913-T916 PolarHBondContact O-N 2.96Å; T916-S918 VanDerWaalsContact C-N 3.26Å; T916-S918 PolarHBondContact O-N 2.64Å; T916-T919 PolarHBondContact O-N 2.88Å; T916-L920 HydrophobicContact CG2-CD1 4.1Å; T916-L920 HydrophobicContact CG2-CG 4.49Å; T916-L920 WeakPolarHBondContact O-CG 3.47Å; T916-L920 PolarHBondContact O-N 2.65Å |
| 917 | M | 81 | Confident | 76.7 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 49% | 0.488 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -32.9 | 173.8 | -70.2 | -66.1 | 119 | 0 | 0 | 112.7 | R913 A915 L920 K921 | R913-M917 WeakPolarHBondContact O-CB 3.44Å; R913-M917 VanDerWaalsContact O-CG 3.26Å; R913-M917 WeakPolarHBondContact O-CG 3.41Å; R913-M917 PolarHBondContact O-N 3.31Å; A915-M917 PolarHBondContact O-N 3.2Å; M917-L920 HydrophobicContact CE-CD1 3.8Å; M917-K921 WeakPolarHBondContact O-CB 3.39Å; M917-K921 PolarHBondContact O-N 2.97Å; M917-K921 VanDerWaalsContact O-N 3.09Å |
| 918 | S | 75.4 | Confident | 76.9 | Confident | 49 Ų | 49 | 67 Ų | 67 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.2 | -35.4 | 177.3 | 81.7 | 0 | 0 | 0 | 0 | 113.1 | K914 A915 T916 | K914-S918 PolarHBondContact O-N 2.69Å; K914-S918 VanDerWaalsContact O-N 3.16Å; A915-S918 WeakPolarHBondContact O-CA 3.48Å; A915-S918 WeakPolarHBondContact O-CB 3.48Å; A915-S918 PolarHBondContact O-N 3.38Å; A915-S918 PolarHBondContact O-OG 3.15Å; T916-S918 VanDerWaalsContact C-N 3.26Å; T916-S918 PolarHBondContact O-N 2.64Å |
| 919 | T | 73.2 | Confident | 77 | Confident | 14 Ų | 14 | 67.2 Ų | 67.2 | 9% | 0.086 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.4 | -48.1 | 173.6 | -49.9 | 0 | 0 | 0 | 0 | 110.8 | K867 A868 A915 T916 K921 I922 A923 | K867-T919 HydrophobicContact CB-CG2 4.28Å; K867-T919 WeakPolarHBondContact CB-OG1 3.43Å; K867-T919 PolarHBondContact O-OG1 3.26Å; A868-T919 HydrophobicContact CB-CG2 4.37Å; A915-T919 PolarHBondContact O-N 2.87Å; A915-T919 VanDerWaalsContact O-N 3.11Å; A915-T919 PolarHBondContact O-OG1 3.14Å; T916-T919 PolarHBondContact O-N 2.88Å; T919-K921 VanDerWaalsContact C-N 3.29Å; T919-K921 PolarHBondContact O-N 2.79Å; T919-I922 PolarHBondContact O-N 3.47Å; T919-A923 PolarHBondContact O-N 3.43Å; T919-A923 VanDerWaalsContact O-N 3.09Å |
| 920 | L | 76.9 | Confident | 77 | Confident | 82 Ų | 82 | 65 Ų | 65 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -36.7 | 177.8 | -71.6 | 172.3 | 0 | 0 | 0 | 112.9 | T916 M917 I922 A923 I924 | T916-L920 HydrophobicContact CG2-CD1 4.1Å; T916-L920 HydrophobicContact CG2-CG 4.49Å; T916-L920 WeakPolarHBondContact O-CG 3.47Å; T916-L920 PolarHBondContact O-N 2.65Å; M917-L920 HydrophobicContact CE-CD1 3.8Å; L920-I922 VanDerWaalsContact C-N 3.28Å; L920-I922 PolarHBondContact O-N 3.21Å; L920-A923 PolarHBondContact O-N 2.89Å; L920-I924 WeakPolarHBondContact O-CB 3.34Å; L920-I924 VanDerWaalsContact O-CG1 3.3Å; L920-I924 WeakPolarHBondContact O-CG1 3.39Å; L920-I924 PolarHBondContact O-N 3.11Å |
| 921 | K | 77 | Confident | 76.7 | Confident | 158 Ų | 158 | 66.5 Ų | 66.5 | 69% | 0.687 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.8 | -37.5 | 175.5 | -174.9 | -179.5 | 176.8 | -174.2 | 0 | 112.3 | M917 T919 L925 | M917-K921 WeakPolarHBondContact O-CB 3.39Å; M917-K921 PolarHBondContact O-N 2.97Å; M917-K921 VanDerWaalsContact O-N 3.09Å; T919-K921 VanDerWaalsContact C-N 3.29Å; T919-K921 PolarHBondContact O-N 2.79Å; K921-L925 WeakPolarHBondContact O-CB 3.36Å; K921-L925 PolarHBondContact O-N 3.14Å; K921-L925 VanDerWaalsContact O-N 3.14Å |
| 922 | I | 73.3 | Confident | 76.9 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.1 | -43.4 | 177.5 | -59.7 | -177.7 | 0 | 0 | 0 | 110.4 | L860 A863 A864 K867 T919 L920 I924 L925 S926 | L860-I922 HydrophobicContact CD2-CG2 4.39Å; A863-I922 HydrophobicContact CB-CD1 4.2Å; A863-I922 HydrophobicContact CB-CG2 4.33Å; A863-I922 WeakPolarHBondContact O-CD1 3.27Å; A864-I922 HydrophobicContact CB-CG2 3.96Å; K867-I922 HydrophobicContact CB-CD1 4.5Å; K867-I922 HydrophobicContact CG-CD1 3.52Å; T919-I922 PolarHBondContact O-N 3.47Å; L920-I922 VanDerWaalsContact C-N 3.28Å; L920-I922 PolarHBondContact O-N 3.21Å; I922-I924 VanDerWaalsContact C-N 3.35Å; I922-I924 PolarHBondContact O-N 3.37Å; I922-L925 PolarHBondContact O-N 2.77Å; I922-S926 WeakPolarHBondContact O-CB 3.29Å; I922-S926 PolarHBondContact O-N 3.06Å; I922-S926 PolarHBondContact O-OG 3.36Å |
| 923 | A | 67.4 | Low | 77 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.3 | -48.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T919 L920 L925 S926 T927 H981 | T919-A923 PolarHBondContact O-N 3.43Å; T919-A923 VanDerWaalsContact O-N 3.09Å; L920-A923 PolarHBondContact O-N 2.89Å; A923-L925 PolarHBondContact O-N 3.19Å; A923-S926 WeakPolarHBondContact O-CB 3.25Å; A923-S926 PolarHBondContact O-N 3.37Å; A923-T927 PolarHBondContact O-N 3.46Å; A923-T927 VanDerWaalsContact O-N 3.1Å; A923-T927 PolarHBondContact O-OG1 2.87Å; A923-H981 WeakPolarHBondContact CB-NE2 3.33Å |
| 924 | I | 73.9 | Confident | 76.9 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 177.8 | -66.6 | 165.4 | 0 | 0 | 0 | 111.8 | L920 I922 S926 F928 | L920-I924 WeakPolarHBondContact O-CB 3.34Å; L920-I924 VanDerWaalsContact O-CG1 3.3Å; L920-I924 WeakPolarHBondContact O-CG1 3.39Å; L920-I924 PolarHBondContact O-N 3.11Å; I922-I924 VanDerWaalsContact C-N 3.35Å; I922-I924 PolarHBondContact O-N 3.37Å; I924-S926 VanDerWaalsContact C-N 3.28Å; I924-S926 PolarHBondContact O-N 2.89Å; I924-F928 WeakPolarHBondContact O-CB 3.25Å; I924-F928 PolarHBondContact O-N 3.3Å |
| 925 | L | 73.3 | Confident | 77.1 | Confident | 93 Ų | 93 | 59.3 Ų | 59.3 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.5 | -33.2 | 177 | -174 | 64.4 | 0 | 0 | 0 | 112.1 | L860 K921 I922 A923 A929 | L860-L925 HydrophobicContact CD2-CD2 4.33Å; L860-L925 HydrophobicContact CD2-CG 4.33Å; K921-L925 WeakPolarHBondContact O-CB 3.36Å; K921-L925 PolarHBondContact O-N 3.14Å; K921-L925 VanDerWaalsContact O-N 3.14Å; I922-L925 PolarHBondContact O-N 2.77Å; A923-L925 PolarHBondContact O-N 3.19Å; L925-A929 WeakPolarHBondContact O-CB 3.4Å; L925-A929 PolarHBondContact O-N 3.35Å |
| 926 | S | 70.3 | Confident | 77.6 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -53.9 | 176.4 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | I922 A923 I924 F928 A929 L930 | I922-S926 WeakPolarHBondContact O-CB 3.29Å; I922-S926 PolarHBondContact O-N 3.06Å; I922-S926 PolarHBondContact O-OG 3.36Å; A923-S926 WeakPolarHBondContact O-CB 3.25Å; A923-S926 PolarHBondContact O-N 3.37Å; I924-S926 VanDerWaalsContact C-N 3.28Å; I924-S926 PolarHBondContact O-N 2.89Å; S926-F928 VanDerWaalsContact C-N 3.34Å; S926-F928 PolarHBondContact O-N 3.5Å; S926-A929 PolarHBondContact O-N 3.04Å; S926-L930 WeakPolarHBondContact O-CG 3.38Å; S926-L930 PolarHBondContact O-N 3Å |
| 927 | T | 71.7 | Confident | 78 | Confident | 70 Ų | 70 | 61 Ų | 61 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 176.5 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | A923 A929 L930 D931 | A923-T927 PolarHBondContact O-N 3.46Å; A923-T927 VanDerWaalsContact O-N 3.1Å; A923-T927 PolarHBondContact O-OG1 2.87Å; T927-A929 PolarHBondContact O-N 3.45Å; T927-L930 PolarHBondContact O-N 2.82Å; T927-D931 PolarHBondContact O-N 3.39Å |
| 928 | F | 80.2 | Confident | 78.4 | Confident | 130 Ų | 130 | 57.8 Ų | 57.8 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.8 | -45 | 178.4 | 173.4 | -96.7 | 0 | 0 | 0 | 113.1 | I924 S926 L930 F932 | I924-F928 WeakPolarHBondContact O-CB 3.25Å; I924-F928 PolarHBondContact O-N 3.3Å; S926-F928 VanDerWaalsContact C-N 3.34Å; S926-F928 PolarHBondContact O-N 3.5Å; F928-L930 VanDerWaalsContact C-N 3.32Å; F928-L930 PolarHBondContact O-N 2.51Å; F928-F932 WeakPolarHBondContact O-CB 3.33Å; F928-F932 PolarHBondContact O-N 3.24Å |
| 929 | A | 76.7 | Confident | 79 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L860 L925 S926 T927 F933 | L860-A929 HydrophobicContact CD1-CB 4.09Å; L925-A929 WeakPolarHBondContact O-CB 3.4Å; L925-A929 PolarHBondContact O-N 3.35Å; S926-A929 PolarHBondContact O-N 3.04Å; T927-A929 PolarHBondContact O-N 3.45Å; A929-F933 WeakPolarHBondContact O-CD2 3.24Å; A929-F933 PolarHBondContact O-N 3.47Å; A929-F933 VanDerWaalsContact O-N 3.07Å |
| 930 | L | 77.3 | Confident | 79.8 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.3 | -47.1 | 179.9 | -62.4 | 171.2 | 0 | 0 | 0 | 111.8 | I853 S926 T927 F928 F932 F933 T934 S977 | I853-L930 HydrophobicContact CG2-CD2 3.55Å; S926-L930 WeakPolarHBondContact O-CG 3.38Å; S926-L930 PolarHBondContact O-N 3Å; T927-L930 PolarHBondContact O-N 2.82Å; F928-L930 VanDerWaalsContact C-N 3.32Å; F928-L930 PolarHBondContact O-N 2.51Å; L930-F932 VanDerWaalsContact C-N 3.26Å; L930-F932 PolarHBondContact O-N 2.9Å; L930-F933 PolarHBondContact O-N 2.91Å; L930-T934 WeakPolarHBondContact O-CB 3.27Å; L930-T934 VanDerWaalsContact O-CG2 3.25Å; L930-T934 WeakPolarHBondContact O-CG2 2.95Å; L930-T934 PolarHBondContact O-N 3.4Å; L930-T934 PolarHBondContact O-OG1 2.72Å; L930-S977 WeakPolarHBondContact CD1-OG 3.26Å |
| 931 | D | 79.6 | Confident | 80.5 | Confident | 58 Ų | 58 | 56 Ų | 56 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -35 | 174.8 | -79.8 | -31.5 | 0 | 0 | 0 | 111.6 | T927 T934 T935 R974 | T927-D931 PolarHBondContact O-N 3.39Å; D931-T934 WeakPolarHBondContact CA-OG1 3.12Å; D931-T934 PolarHBondContact O-OG1 3.3Å; D931-T935 WeakPolarHBondContact O-CB 3.33Å; D931-T935 PolarHBondContact O-N 3.01Å; D931-T935 PolarHBondContact O-OG1 2.87Å; D931-R974 VanDerWaalsContact OD1-CD 3.32Å; D931-R974 WeakPolarHBondContact OD1-CD 3.27Å |
| 932 | F | 83.5 | Confident | 81.1 | Confident | 106 Ų | 106 | 50.2 Ų | 50.2 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -54.2 | 173.9 | 177 | -97.6 | 0 | 0 | 0 | 112.4 | F928 L930 T934 T935 L936 | F928-F932 WeakPolarHBondContact O-CB 3.33Å; F928-F932 PolarHBondContact O-N 3.24Å; L930-F932 VanDerWaalsContact C-N 3.26Å; L930-F932 PolarHBondContact O-N 2.9Å; F932-T934 PolarHBondContact O-N 2.98Å; F932-T935 PolarHBondContact O-N 3Å; F932-L936 HydrophobicContact CE1-CD2 4.03Å; F932-L936 HydrophobicContact CZ-CD2 4.19Å; F932-L936 WeakPolarHBondContact O-CB 3.38Å; F932-L936 PolarHBondContact O-N 3.49Å |
| 933 | F | 83.7 | Confident | 82 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.3 | -35.4 | -177.1 | -76.1 | -60.9 | 0 | 0 | 0 | 113.2 | V849 L852 I853 F856 A929 L930 S937 | V849-F933 HydrophobicContact CG1-CB 4.4Å; L852-F933 HydrophobicContact CD2-CD1 3.96Å; L852-F933 HydrophobicContact CD2-CE1 3.71Å; L852-F933 HydrophobicContact CD2-CZ 4.24Å; L852-F933 HydrophobicContact CG-CE1 4.47Å; I853-F933 HydrophobicContact CD1-CB 4.35Å; I853-F933 HydrophobicContact CG1-CB 3.86Å; F856-F933 HydrophobicContact CD1-CE2 4.32Å; F856-F933 HydrophobicContact CD2-CD2 4.19Å; F856-F933 AromaticContact CD2-CE2 3.45Å; F856-F933 HydrophobicContact CD2-CE2 3.45Å; F856-F933 VanDerWaalsContact CD2-CE2 3.45Å; F856-F933 AromaticContact CD2-CZ 3.99Å; F856-F933 HydrophobicContact CD2-CZ 3.99Å; F856-F933 HydrophobicContact CE1-CE2 4.28Å; F856-F933 HydrophobicContact CE2-CD2 4.49Å; F856-F933 AromaticContact CE2-CE2 3.41Å; F856-F933 HydrophobicContact CE2-CE2 3.41Å; F856-F933 VanDerWaalsContact CE2-CE2 3.41Å; F856-F933 AromaticContact CE2-CZ 3.48Å; F856-F933 HydrophobicContact CE2-CZ 3.48Å; F856-F933 VanDerWaalsContact CE2-CZ 3.48Å; F856-F933 AromaticContact CG-CE2 3.93Å; F856-F933 HydrophobicContact CG-CE2 3.93Å; F856-F933 AromaticContact CZ-CE2 3.85Å; F856-F933 HydrophobicContact CZ-CE2 3.85Å; F856-F933 AromaticContact CZ-CZ 3.9Å; F856-F933 HydrophobicContact CZ-CZ 3.9Å; A929-F933 WeakPolarHBondContact O-CD2 3.24Å; A929-F933 PolarHBondContact O-N 3.47Å; A929-F933 VanDerWaalsContact O-N 3.07Å; L930-F933 PolarHBondContact O-N 2.91Å; F933-S937 WeakPolarHBondContact O-CB 3.13Å; F933-S937 PolarHBondContact O-N 3.13Å; F933-S937 PolarHBondContact O-OG 3.06Å |
| 934 | T | 83.3 | Confident | 83 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -46.4 | 176.1 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | I853 L930 D931 F932 L936 S937 V938 F970 | I853-T934 HydrophobicContact CD1-CG2 3.79Å; L930-T934 WeakPolarHBondContact O-CB 3.27Å; L930-T934 VanDerWaalsContact O-CG2 3.25Å; L930-T934 WeakPolarHBondContact O-CG2 2.95Å; L930-T934 PolarHBondContact O-N 3.4Å; L930-T934 PolarHBondContact O-OG1 2.72Å; D931-T934 WeakPolarHBondContact CA-OG1 3.12Å; D931-T934 PolarHBondContact O-OG1 3.3Å; F932-T934 PolarHBondContact O-N 2.98Å; T934-L936 PolarHBondContact O-N 3.38Å; T934-S937 WeakPolarHBondContact O-CB 3.24Å; T934-S937 PolarHBondContact O-N 2.94Å; T934-V938 WeakPolarHBondContact O-CG2 3.42Å; T934-V938 PolarHBondContact O-N 3.07Å; T934-F970 HydrophobicContact CG2-CB 3.58Å; T934-F970 HydrophobicContact CG2-CD1 3.91Å; T934-F970 HydrophobicContact CG2-CD2 4.3Å; T934-F970 HydrophobicContact CG2-CG 3.68Å |
| 935 | T | 86.4 | Confident | 83.8 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 56% | 0.564 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 174.9 | -59 | 0 | 0 | 0 | 0 | 111.7 | D931 F932 S937 V938 A939 | D931-T935 WeakPolarHBondContact O-CB 3.33Å; D931-T935 PolarHBondContact O-N 3.01Å; D931-T935 PolarHBondContact O-OG1 2.87Å; F932-T935 PolarHBondContact O-N 3Å; T935-S937 VanDerWaalsContact C-N 3.32Å; T935-S937 PolarHBondContact O-N 2.87Å; T935-V938 PolarHBondContact O-N 3.03Å; T935-A939 WeakPolarHBondContact O-CB 3.33Å; T935-A939 PolarHBondContact O-N 3.11Å |
| 936 | L | 87.7 | Confident | 84.4 | Confident | 80 Ų | 80 | 47.4 Ų | 47.4 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 176.4 | 179.9 | 61.3 | 0 | 0 | 0 | 111.7 | F932 T934 A939 V940 | F932-L936 HydrophobicContact CE1-CD2 4.03Å; F932-L936 HydrophobicContact CZ-CD2 4.19Å; F932-L936 WeakPolarHBondContact O-CB 3.38Å; F932-L936 PolarHBondContact O-N 3.49Å; T934-L936 PolarHBondContact O-N 3.38Å; L936-A939 PolarHBondContact O-N 3.19Å; L936-V940 HydrophobicContact CD1-CG2 4.29Å; L936-V940 WeakPolarHBondContact O-CG2 3.22Å; L936-V940 PolarHBondContact O-N 3.18Å |
| 937 | S | 87.2 | Confident | 85.2 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | V849 F933 T934 T935 A939 V940 V941 | V849-S937 WeakPolarHBondContact CB-OG 3.41Å; V849-S937 WeakPolarHBondContact CG1-OG 3.2Å; F933-S937 WeakPolarHBondContact O-CB 3.13Å; F933-S937 PolarHBondContact O-N 3.13Å; F933-S937 PolarHBondContact O-OG 3.06Å; T934-S937 WeakPolarHBondContact O-CB 3.24Å; T934-S937 PolarHBondContact O-N 2.94Å; T935-S937 VanDerWaalsContact C-N 3.32Å; T935-S937 PolarHBondContact O-N 2.87Å; S937-A939 VanDerWaalsContact C-N 3.31Å; S937-A939 PolarHBondContact O-N 3.5Å; S937-V940 PolarHBondContact O-N 3.19Å; S937-V941 WeakPolarHBondContact O-CG2 3.35Å; S937-V941 PolarHBondContact O-N 2.98Å |
| 938 | V | 88.4 | Confident | 86 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | T934 T935 V941 A942 A966 P967 F970 | T934-V938 WeakPolarHBondContact O-CG2 3.42Å; T934-V938 PolarHBondContact O-N 3.07Å; T935-V938 PolarHBondContact O-N 3.03Å; V938-V941 PolarHBondContact O-N 3.22Å; V938-A942 VanDerWaalsContact O-CB 3.26Å; V938-A942 WeakPolarHBondContact O-CB 3.31Å; V938-A942 PolarHBondContact O-N 3.43Å; V938-A966 HydrophobicContact CG2-CB 4.12Å; V938-P967 HydrophobicContact CG1-CG 4.18Å; V938-P967 HydrophobicContact CG2-CG 4.11Å; V938-F970 HydrophobicContact CG2-CD2 4.29Å; V938-F970 HydrophobicContact CG2-CE2 4.4Å |
| 939 | A | 89.1 | Confident | 86.3 | Confident | 47 Ų | 47 | 46 Ų | 46 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T935 L936 S937 A942 V943 | T935-A939 WeakPolarHBondContact O-CB 3.33Å; T935-A939 PolarHBondContact O-N 3.11Å; L936-A939 PolarHBondContact O-N 3.19Å; S937-A939 VanDerWaalsContact C-N 3.31Å; S937-A939 PolarHBondContact O-N 3.5Å; A939-A942 PolarHBondContact O-N 2.73Å; A939-V943 WeakPolarHBondContact O-CG2 3.22Å; A939-V943 PolarHBondContact O-N 2.92Å |
| 940 | V | 89.7 | Confident | 86.8 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | V845 L936 S937 V943 L944 | V845-V940 HydrophobicContact CG1-CG1 3.94Å; L936-V940 HydrophobicContact CD1-CG2 4.29Å; L936-V940 WeakPolarHBondContact O-CG2 3.22Å; L936-V940 PolarHBondContact O-N 3.18Å; S937-V940 PolarHBondContact O-N 3.19Å; V940-V943 PolarHBondContact O-N 2.87Å; V940-L944 HydrophobicContact CG1-CD1 3.84Å; V940-L944 HydrophobicContact CG1-CG 4.45Å; V940-L944 WeakPolarHBondContact O-CB 3.41Å; V940-L944 VanDerWaalsContact O-CG 3.27Å; V940-L944 WeakPolarHBondContact O-CG 3.41Å; V940-L944 PolarHBondContact O-N 2.96Å |
| 941 | V | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 111 | V845 L846 S937 V938 V943 L944 L945 V962 A966 | V845-V941 HydrophobicContact CB-CG2 4.11Å; V845-V941 HydrophobicContact CG1-CG2 3.74Å; L846-V941 HydrophobicContact CD2-CG2 4.01Å; L846-V941 HydrophobicContact CG-CG2 4.16Å; S937-V941 WeakPolarHBondContact O-CG2 3.35Å; S937-V941 PolarHBondContact O-N 2.98Å; V938-V941 PolarHBondContact O-N 3.22Å; V941-V943 PolarHBondContact O-N 3.43Å; V941-L944 PolarHBondContact O-N 3.2Å; V941-L945 HydrophobicContact CG1-CD1 3.57Å; V941-L945 HydrophobicContact CG1-CG 4.19Å; V941-L945 VanDerWaalsContact O-CB 3.32Å; V941-L945 WeakPolarHBondContact O-CB 3.37Å; V941-L945 WeakPolarHBondContact O-CG 3.26Å; V941-L945 PolarHBondContact O-N 3.42Å; V941-V962 HydrophobicContact CG1-CG1 4.1Å; V941-A966 HydrophobicContact CG1-CB 4.4Å |
| 942 | A | 90 | Very high | 87.3 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | V938 A939 G946 L963 | V938-A942 VanDerWaalsContact O-CB 3.26Å; V938-A942 WeakPolarHBondContact O-CB 3.31Å; V938-A942 PolarHBondContact O-N 3.43Å; A939-A942 PolarHBondContact O-N 2.73Å; A942-G946 PolarHBondContact O-N 3.4Å; A942-L963 HydrophobicContact CB-CD1 3.65Å |
| 943 | V | 90.9 | Very high | 87.3 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 178 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | A939 V940 V941 G946 L947 | A939-V943 WeakPolarHBondContact O-CG2 3.22Å; A939-V943 PolarHBondContact O-N 2.92Å; V940-V943 PolarHBondContact O-N 2.87Å; V941-V943 PolarHBondContact O-N 3.43Å; V943-G946 PolarHBondContact O-N 3.47Å; V943-L947 HydrophobicContact CG1-CD1 3.96Å; V943-L947 HydrophobicContact CG1-CG 4.48Å; V943-L947 WeakPolarHBondContact O-CB 3.4Å; V943-L947 WeakPolarHBondContact O-CG 3.3Å; V943-L947 PolarHBondContact O-N 3.17Å |
| 944 | L | 89.5 | Confident | 87.5 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 39% | 0.387 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.4 | -71.1 | 171.2 | 0 | 0 | 0 | 111.9 | V845 V940 V941 R948 | V845-L944 HydrophobicContact CG2-CD1 3.9Å; V940-L944 HydrophobicContact CG1-CD1 3.84Å; V940-L944 HydrophobicContact CG1-CG 4.45Å; V940-L944 WeakPolarHBondContact O-CB 3.41Å; V940-L944 VanDerWaalsContact O-CG 3.27Å; V940-L944 WeakPolarHBondContact O-CG 3.41Å; V940-L944 PolarHBondContact O-N 2.96Å; V941-L944 PolarHBondContact O-N 3.2Å; L944-R948 WeakPolarHBondContact O-CB 3.09Å; L944-R948 WeakPolarHBondContact O-CG 3.39Å; L944-R948 PolarHBondContact O-N 3.09Å |
| 945 | L | 90.7 | Very high | 87.8 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.6 | -71.4 | 173.9 | 0 | 0 | 0 | 111.9 | V941 R948 L949 I954 A959 V962 L963 | V941-L945 HydrophobicContact CG1-CD1 3.57Å; V941-L945 HydrophobicContact CG1-CG 4.19Å; V941-L945 VanDerWaalsContact O-CB 3.32Å; V941-L945 WeakPolarHBondContact O-CB 3.37Å; V941-L945 WeakPolarHBondContact O-CG 3.26Å; V941-L945 PolarHBondContact O-N 3.42Å; L945-R948 PolarHBondContact O-N 3.12Å; L945-L949 WeakPolarHBondContact O-CB 3.42Å; L945-L949 PolarHBondContact O-N 3.09Å; L945-I954 HydrophobicContact CD2-CD1 3.82Å; L945-A959 HydrophobicContact CB-CB 4.4Å; L945-A959 HydrophobicContact CD2-CB 4.16Å; L945-V962 HydrophobicContact CD1-CB 4.1Å; L945-V962 HydrophobicContact CD1-CG1 3.95Å; L945-L963 HydrophobicContact CD1-CB 4.42Å |
| 946 | G | 85.7 | Confident | 87.9 | Confident | 31 Ų | 31 | 62 Ų | 62 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A942 V943 R948 L949 I950 | A942-G946 PolarHBondContact O-N 3.4Å; V943-G946 PolarHBondContact O-N 3.47Å; G946-R948 VanDerWaalsContact C-N 3.31Å; G946-R948 PolarHBondContact O-N 2.96Å; G946-L949 WeakPolarHBondContact O-CB 3.11Å; G946-L949 PolarHBondContact O-N 2.99Å; G946-I950 WeakPolarHBondContact O-CG1 3.33Å; G946-I950 PolarHBondContact O-N 3.18Å; G946-I950 VanDerWaalsContact O-N 3.08Å |
| 947 | L | 87.3 | Confident | 88.1 | Confident | 72 Ų | 72 | 60 Ų | 60 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 174.4 | -73.2 | 170.9 | 0 | 0 | 0 | 112 | V943 N951 | V943-L947 HydrophobicContact CG1-CD1 3.96Å; V943-L947 HydrophobicContact CG1-CG 4.48Å; V943-L947 WeakPolarHBondContact O-CB 3.4Å; V943-L947 WeakPolarHBondContact O-CG 3.3Å; V943-L947 PolarHBondContact O-N 3.17Å; L947-N951 PolarHBondContact O-N 2.8Å; L947-N951 VanDerWaalsContact O-N 3.16Å; L947-N951 PolarHBondContact O-ND2 2.98Å |
| 948 | R | 88.3 | Confident | 88.3 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 16% | 0.158 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.7 | -30.1 | 177.4 | -76.5 | 177.6 | 54 | -152.5 | -12 | 113.3 | D839 E841 L944 L945 G946 N951 E952 G953 I954 | D839-R948 IonicContact OD1-CZ 2.71Å; D839-R948 IonicContact OD1-NH1 3.74Å; D839-R948 PolarHBondContact OD1-NH1 3.43Å; D839-R948 IonicContact OD1-NH2 2.7Å; D839-R948 PolarHBondContact OD1-NH2 3.26Å; D839-R948 IonicContact OD2-CZ 2.72Å; D839-R948 IonicContact OD2-NH1 3.63Å; D839-R948 PolarHBondContact OD2-NH1 3.37Å; E841-R948 VanDerWaalsContact CD-NH1 3.29Å; E841-R948 VanDerWaalsContact OE2-CD 3.31Å; E841-R948 WeakPolarHBondContact OE2-CD 3.42Å; E841-R948 IonicContact OE2-CZ 3.14Å; E841-R948 VanDerWaalsContact OE2-CZ 3.24Å; E841-R948 IonicContact OE2-NE 3.13Å; E841-R948 PolarHBondContact OE2-NE 3.02Å; E841-R948 IonicContact OE2-NH1 2.63Å; E841-R948 PolarHBondContact OE2-NH1 3.16Å; L944-R948 WeakPolarHBondContact O-CB 3.09Å; L944-R948 WeakPolarHBondContact O-CG 3.39Å; L944-R948 PolarHBondContact O-N 3.09Å; L945-R948 PolarHBondContact O-N 3.12Å; G946-R948 VanDerWaalsContact C-N 3.31Å; G946-R948 PolarHBondContact O-N 2.96Å; R948-N951 PolarHBondContact O-N 3.12Å; R948-E952 PolarHBondContact O-N 2.7Å; R948-G953 PolarHBondContact NH2-O 3.42Å; R948-G953 WeakPolarHBondContact O-CA 3.36Å; R948-G953 PolarHBondContact O-N 2.96Å; R948-I954 HydrophobicContact CB-CB 4.47Å; R948-I954 HydrophobicContact CB-CG2 3.75Å; R948-I954 PolarHBondContact O-N 3.1Å |
| 949 | L | 86.4 | Confident | 88.5 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 172.1 | -172.2 | 74.1 | 0 | 0 | 0 | 110.4 | L945 G946 N951 E952 I954 L956 | L945-L949 WeakPolarHBondContact O-CB 3.42Å; L945-L949 PolarHBondContact O-N 3.09Å; G946-L949 WeakPolarHBondContact O-CB 3.11Å; G946-L949 PolarHBondContact O-N 2.99Å; L949-N951 VanDerWaalsContact C-N 3.26Å; L949-N951 PolarHBondContact O-N 3.25Å; L949-E952 PolarHBondContact O-N 3.23Å; L949-I954 HydrophobicContact CB-CG2 4.49Å; L949-L956 HydrophobicContact CD1-CB 4.03Å; L949-L956 HydrophobicContact CD1-CD1 4.33Å; L949-L956 HydrophobicContact CD2-CD1 4.06Å |
| 950 | I | 86.6 | Confident | 88.5 | Confident | 134 Ų | 134 | 58 Ų | 58 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.1 | -33.7 | 177.3 | -67.4 | 164.3 | 0 | 0 | 0 | 112 | G946 | G946-I950 WeakPolarHBondContact O-CG1 3.33Å; G946-I950 PolarHBondContact O-N 3.18Å; G946-I950 VanDerWaalsContact O-N 3.08Å |
| 951 | N | 85 | Confident | 88.7 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 15.9 | 179.9 | -74.4 | -76.3 | 0 | 0 | 0 | 114.3 | L947 R948 L949 G953 | L947-N951 PolarHBondContact O-N 2.8Å; L947-N951 VanDerWaalsContact O-N 3.16Å; L947-N951 PolarHBondContact O-ND2 2.98Å; R948-N951 PolarHBondContact O-N 3.12Å; L949-N951 VanDerWaalsContact C-N 3.26Å; L949-N951 PolarHBondContact O-N 3.25Å; N951-G953 PolarHBondContact O-N 3.29Å |
| 952 | E | 82.7 | Confident | 88.8 | Confident | 184 Ų | 184 | 55.1 Ų | 55.1 | 86% | 0.86 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 21.1 | -176.2 | -58.3 | -179.9 | -176.6 | 0 | 0 | 114 | R948 L949 | R948-E952 PolarHBondContact O-N 2.7Å; L949-E952 PolarHBondContact O-N 3.23Å |
| 953 | G | 83.2 | Confident | 88.9 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -89.3 | -6.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R948 N951 | R948-G953 PolarHBondContact NH2-O 3.42Å; R948-G953 WeakPolarHBondContact O-CA 3.36Å; R948-G953 PolarHBondContact O-N 2.96Å; N951-G953 PolarHBondContact O-N 3.29Å |
| 954 | I | 88.2 | Confident | 88.9 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -155.7 | 146.3 | 169.8 | -168.5 | 162.1 | 0 | 0 | 0 | 108.8 | D839 L945 R948 L949 P958 A959 | D839-I954 HydrophobicContact CB-CD1 3.89Å; L945-I954 HydrophobicContact CD2-CD1 3.82Å; R948-I954 HydrophobicContact CB-CB 4.47Å; R948-I954 HydrophobicContact CB-CG2 3.75Å; R948-I954 PolarHBondContact O-N 3.1Å; L949-I954 HydrophobicContact CB-CG2 4.49Å; I954-P958 HydrophobicContact CD1-CB 4.29Å; I954-P958 HydrophobicContact CD1-CG 4.24Å; I954-P958 HydrophobicContact CG1-CB 4.37Å; I954-P958 HydrophobicContact CG1-CG 3.78Å; I954-A959 HydrophobicContact CD1-CB 4.11Å; I954-A959 HydrophobicContact CG1-CB 4.21Å; I954-A959 HydrophobicContact CG2-CB 3.97Å |
| 955 | F | 89.9 | Confident | 89.1 | Confident | 171 Ų | 171 | 49.2 Ų | 49.2 | 75% | 0.75 | 26% | 0.259 | S | S | * | . | trans | -78.5 | 157.6 | 173.3 | -66 | -77.2 | 0 | 0 | 0 | 111.1 | F957 P958 A959 | F955-F957 VanDerWaalsContact C-N 3.29Å; F955-F957 PolarHBondContact O-N 3.27Å; F955-P958 HydrophobicContact CB-CG 4.16Å; F955-P958 VanDerWaalsContact O-CD 3.23Å; F955-P958 WeakPolarHBondContact O-CD 3.47Å; F955-P958 WeakPolarHBondContact O-CG 3.38Å; F955-A959 WeakPolarHBondContact O-CB 3.21Å; F955-A959 PolarHBondContact O-N 3.19Å | ||
| 956 | L | 88 | Confident | 89.1 | Confident | 37 Ų | 37 | 48.9 Ų | 48.9 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.6 | -41.6 | 179.5 | -178.8 | 59.2 | 0 | 0 | 0 | 112.5 | T728 W731 L949 A959 L960 | T728-L956 HydrophobicContact CG2-CB 4.19Å; T728-L956 HydrophobicContact CG2-CD2 4.4Å; T728-L956 HydrophobicContact CG2-CG 4.44Å; W731-L956 HydrophobicContact CB-CD2 3.97Å; W731-L956 HydrophobicContact CD2-CD2 3.67Å; W731-L956 HydrophobicContact CE3-CD2 4.03Å; W731-L956 HydrophobicContact CG-CD2 3.64Å; L949-L956 HydrophobicContact CD1-CB 4.03Å; L949-L956 HydrophobicContact CD1-CD1 4.33Å; L949-L956 HydrophobicContact CD2-CD1 4.06Å; L956-A959 PolarHBondContact O-N 3.44Å; L956-L960 WeakPolarHBondContact O-CB 3.35Å; L956-L960 PolarHBondContact O-N 2.86Å |
| 957 | F | 91.8 | Very high | 89.3 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.4 | -60.7 | -179 | 168.1 | -113.5 | 0 | 0 | 0 | 114.4 | Y721 R725 T728 F955 A959 L960 T961 | Y721-F957 HydrophobicContact CD1-CE2 4.44Å; Y721-F957 HydrophobicContact CD1-CZ 4.28Å; Y721-F957 HydrophobicContact CD2-CE2 4.4Å; Y721-F957 AromaticContact CD2-CZ 3.65Å; Y721-F957 HydrophobicContact CD2-CZ 3.65Å; Y721-F957 HydrophobicContact CE1-CE2 4.5Å; Y721-F957 HydrophobicContact CE1-CZ 4.11Å; Y721-F957 HydrophobicContact CE2-CE1 4.09Å; Y721-F957 HydrophobicContact CE2-CE2 4.48Å; Y721-F957 AromaticContact CE2-CZ 3.48Å; Y721-F957 HydrophobicContact CE2-CZ 3.48Å; Y721-F957 VanDerWaalsContact CE2-CZ 3.48Å; Y721-F957 HydrophobicContact CG-CE2 4.36Å; Y721-F957 HydrophobicContact CG-CZ 4.04Å; Y721-F957 AromaticContact CZ-CZ 3.69Å; R725-F957 HydrophobicContact CB-CD2 3.88Å; R725-F957 HydrophobicContact CB-CE2 3.78Å; R725-F957 HydrophobicContact CG-CD2 4.45Å; T728-F957 HydrophobicContact CG2-CB 4.06Å; T728-F957 VanDerWaalsContact OG1-CA 3.31Å; T728-F957 WeakPolarHBondContact OG1-CA 3.41Å; T728-F957 PolarHBondContact OG1-N 2.9Å; F955-F957 VanDerWaalsContact C-N 3.29Å; F955-F957 PolarHBondContact O-N 3.27Å; F957-A959 VanDerWaalsContact C-N 3.35Å; F957-A959 PolarHBondContact O-N 3.19Å; F957-L960 PolarHBondContact O-N 2.73Å; F957-T961 VanDerWaalsContact CE2-OG1 3.22Å; F957-T961 WeakPolarHBondContact CE2-OG1 3.48Å; F957-T961 WeakPolarHBondContact O-CB 3.36Å; F957-T961 PolarHBondContact O-N 3.4Å; F957-T961 PolarHBondContact O-OG1 3Å |
| 958 | P | 92.2 | Very high | 89.5 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -36.2 | 179.3 | 24.1 | -33.2 | 0 | 0 | 0 | 112.5 | L838 I954 F955 T961 V962 | L838-P958 HydrophobicContact CB-CB 4.46Å; L838-P958 HydrophobicContact CD2-CB 4.28Å; I954-P958 HydrophobicContact CD1-CB 4.29Å; I954-P958 HydrophobicContact CD1-CG 4.24Å; I954-P958 HydrophobicContact CG1-CB 4.37Å; I954-P958 HydrophobicContact CG1-CG 3.78Å; F955-P958 HydrophobicContact CB-CG 4.16Å; F955-P958 VanDerWaalsContact O-CD 3.23Å; F955-P958 WeakPolarHBondContact O-CD 3.47Å; F955-P958 WeakPolarHBondContact O-CG 3.38Å; P958-T961 PolarHBondContact O-N 3.31Å; P958-V962 WeakPolarHBondContact O-CG2 3.44Å; P958-V962 PolarHBondContact O-N 3.14Å |
| 959 | A | 91.7 | Very high | 89.7 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L945 I954 F955 L956 F957 T961 V962 L963 | L945-A959 HydrophobicContact CB-CB 4.4Å; L945-A959 HydrophobicContact CD2-CB 4.16Å; I954-A959 HydrophobicContact CD1-CB 4.11Å; I954-A959 HydrophobicContact CG1-CB 4.21Å; I954-A959 HydrophobicContact CG2-CB 3.97Å; F955-A959 WeakPolarHBondContact O-CB 3.21Å; F955-A959 PolarHBondContact O-N 3.19Å; L956-A959 PolarHBondContact O-N 3.44Å; F957-A959 VanDerWaalsContact C-N 3.35Å; F957-A959 PolarHBondContact O-N 3.19Å; A959-T961 VanDerWaalsContact C-N 3.3Å; A959-T961 PolarHBondContact O-N 3.2Å; A959-V962 PolarHBondContact O-N 2.63Å; A959-L963 WeakPolarHBondContact O-CB 3.38Å; A959-L963 PolarHBondContact O-N 3.1Å |
| 960 | L | 90.8 | Very high | 89.8 | Confident | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -33.5 | 177.3 | -176.8 | 56.6 | 0 | 0 | 0 | 112 | S724 I727 L956 F957 L963 I964 L1368 | S724-L960 PolarHBondContact OG-O 3.26Å; I727-L960 HydrophobicContact CB-CD2 3.74Å; I727-L960 HydrophobicContact CD1-CD2 4.06Å; I727-L960 HydrophobicContact CG2-CD2 3.58Å; L956-L960 WeakPolarHBondContact O-CB 3.35Å; L956-L960 PolarHBondContact O-N 2.86Å; F957-L960 PolarHBondContact O-N 2.73Å; L960-L963 PolarHBondContact O-N 3.47Å; L960-I964 HydrophobicContact CD1-CD1 4.29Å; L960-I964 HydrophobicContact CD1-CG1 4.47Å; L960-I964 HydrophobicContact CG-CD1 4.36Å; L960-I964 WeakPolarHBondContact O-CG1 3.39Å; L960-I964 PolarHBondContact O-N 3.04Å; L960-I964 VanDerWaalsContact O-N 3.12Å; L960-L1368 HydrophobicContact CD1-CD1 3.99Å; L960-L1368 HydrophobicContact CD1-CD2 4.35Å |
| 961 | T | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 175.7 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | A720 S724 L838 F957 P958 A959 L963 I964 L965 | A720-T961 HydrophobicContact CB-CG2 4.11Å; S724-T961 WeakPolarHBondContact CB-OG1 3.35Å; S724-T961 WeakPolarHBondContact OG-CA 3.45Å; S724-T961 PolarHBondContact OG-N 3.43Å; S724-T961 PolarHBondContact OG-OG1 3Å; L838-T961 HydrophobicContact CD1-CG2 3.54Å; F957-T961 VanDerWaalsContact CE2-OG1 3.22Å; F957-T961 WeakPolarHBondContact CE2-OG1 3.48Å; F957-T961 WeakPolarHBondContact O-CB 3.36Å; F957-T961 PolarHBondContact O-N 3.4Å; F957-T961 PolarHBondContact O-OG1 3Å; P958-T961 PolarHBondContact O-N 3.31Å; A959-T961 VanDerWaalsContact C-N 3.3Å; A959-T961 PolarHBondContact O-N 3.2Å; T961-L963 VanDerWaalsContact C-N 3.35Å; T961-L963 PolarHBondContact O-N 3.4Å; T961-I964 PolarHBondContact O-N 3.06Å; T961-L965 HydrophobicContact CG2-CD1 4.18Å; T961-L965 WeakPolarHBondContact O-CG 3.02Å; T961-L965 PolarHBondContact O-N 2.92Å |
| 962 | V | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | I835 L838 D839 V941 L945 P958 A959 I964 L965 A966 | I835-V962 HydrophobicContact CG1-CG1 4.43Å; I835-V962 HydrophobicContact CG1-CG2 4.48Å; I835-V962 HydrophobicContact CG2-CG1 3.85Å; I835-V962 HydrophobicContact CG2-CG2 4.18Å; L838-V962 HydrophobicContact CB-CG2 3.71Å; L838-V962 HydrophobicContact CD1-CG2 4.17Å; D839-V962 HydrophobicContact CB-CG2 4.24Å; V941-V962 HydrophobicContact CG1-CG1 4.1Å; L945-V962 HydrophobicContact CD1-CB 4.1Å; L945-V962 HydrophobicContact CD1-CG1 3.95Å; P958-V962 WeakPolarHBondContact O-CG2 3.44Å; P958-V962 PolarHBondContact O-N 3.14Å; A959-V962 PolarHBondContact O-N 2.63Å; V962-I964 VanDerWaalsContact C-N 3.31Å; V962-I964 PolarHBondContact O-N 3.4Å; V962-L965 PolarHBondContact O-N 3.24Å; V962-A966 WeakPolarHBondContact O-CB 3.46Å; V962-A966 PolarHBondContact O-N 3.03Å |
| 963 | L | 90.9 | Very high | 90 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 30% | 0.298 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.6 | -37 | 176.2 | -177.5 | 60.7 | 0 | 0 | 0 | 112.8 | A942 L945 A959 L960 T961 P967 | A942-L963 HydrophobicContact CB-CD1 3.65Å; L945-L963 HydrophobicContact CD1-CB 4.42Å; A959-L963 WeakPolarHBondContact O-CB 3.38Å; A959-L963 PolarHBondContact O-N 3.1Å; L960-L963 PolarHBondContact O-N 3.47Å; T961-L963 VanDerWaalsContact C-N 3.35Å; T961-L963 PolarHBondContact O-N 3.4Å; L963-P967 VanDerWaalsContact O-CD 3.26Å; L963-P967 WeakPolarHBondContact O-CD 3.31Å |
| 964 | I | 91.2 | Very high | 89.9 | Confident | 19 Ų | 19 | 28.7 Ų | 28.7 | 10% | 0.097 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.2 | -31.3 | 175.3 | -66.3 | 173.4 | 0 | 0 | 0 | 111.7 | A720 L723 L960 T961 V962 E968 L1368 | A720-I964 HydrophobicContact CB-CB 4.2Å; A720-I964 HydrophobicContact CB-CG2 3.76Å; L723-I964 HydrophobicContact CB-CD1 4.5Å; L723-I964 HydrophobicContact CD2-CD1 4.15Å; L723-I964 HydrophobicContact CG-CD1 4.35Å; L960-I964 HydrophobicContact CD1-CD1 4.29Å; L960-I964 HydrophobicContact CD1-CG1 4.47Å; L960-I964 HydrophobicContact CG-CD1 4.36Å; L960-I964 WeakPolarHBondContact O-CG1 3.39Å; L960-I964 PolarHBondContact O-N 3.04Å; L960-I964 VanDerWaalsContact O-N 3.12Å; T961-I964 PolarHBondContact O-N 3.06Å; V962-I964 VanDerWaalsContact C-N 3.31Å; V962-I964 PolarHBondContact O-N 3.4Å; I964-E968 WeakPolarHBondContact O-CG 3.48Å; I964-L1368 HydrophobicContact CD1-CD2 3.94Å; I964-L1368 HydrophobicContact CG1-CD2 3.96Å |
| 965 | L | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -80.4 | -22.2 | 178.4 | -67.9 | 178 | 0 | 0 | 0 | 114.2 | I716 A720 L831 I835 L838 T961 V962 E968 Y969 | I716-L965 HydrophobicContact CG2-CD2 3.75Å; A720-L965 HydrophobicContact CB-CD1 4.47Å; A720-L965 HydrophobicContact CB-CD2 3.56Å; A720-L965 HydrophobicContact CB-CG 3.75Å; L831-L965 HydrophobicContact CD2-CD2 4.22Å; I835-L965 HydrophobicContact CD1-CB 3.85Å; I835-L965 HydrophobicContact CG1-CB 4.01Å; I835-L965 HydrophobicContact CG1-CD1 4.1Å; L838-L965 HydrophobicContact CD1-CD1 4.21Å; T961-L965 HydrophobicContact CG2-CD1 4.18Å; T961-L965 WeakPolarHBondContact O-CG 3.02Å; T961-L965 PolarHBondContact O-N 2.92Å; V962-L965 PolarHBondContact O-N 3.24Å; L965-E968 PolarHBondContact O-N 3Å; L965-Y969 PolarHBondContact O-N 3.23Å |
| 966 | A | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L846 V938 V941 V962 F970 | L846-A966 HydrophobicContact CD1-CB 4.34Å; L846-A966 HydrophobicContact CD2-CB 4.36Å; V938-A966 HydrophobicContact CG2-CB 4.12Å; V941-A966 HydrophobicContact CG1-CB 4.4Å; V962-A966 WeakPolarHBondContact O-CB 3.46Å; V962-A966 PolarHBondContact O-N 3.03Å; A966-F970 VanDerWaalsContact O-CD2 3.23Å; A966-F970 WeakPolarHBondContact O-CD2 3.25Å |
| 967 | P | 89 | Confident | 88.2 | Confident | 65 Ų | 65 | 23 Ų | 23 | 42% | 0.422 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 170.2 | -21.9 | 33.6 | 0 | 0 | 0 | 112.8 | V938 L963 Y969 F970 L971 | V938-P967 HydrophobicContact CG1-CG 4.18Å; V938-P967 HydrophobicContact CG2-CG 4.11Å; L963-P967 VanDerWaalsContact O-CD 3.26Å; L963-P967 WeakPolarHBondContact O-CD 3.31Å; P967-Y969 VanDerWaalsContact C-N 3.25Å; P967-Y969 PolarHBondContact O-N 3.19Å; P967-F970 PolarHBondContact O-N 3.18Å; P967-L971 PolarHBondContact O-N 2.84Å |
| 968 | E | 91.1 | Very high | 87.1 | Confident | 22 Ų | 22 | 24.7 Ų | 24.7 | 10% | 0.103 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -29.3 | -177.9 | -57.2 | -81 | -161.3 | 0 | 0 | 112.6 | I716 Q719 R753 L831 I964 L965 F970 P972 | I716-E968 HydrophobicContact CG2-CB 3.8Å; I716-E968 HydrophobicContact CG2-CG 3.9Å; Q719-E968 PolarHBondContact NE2-OE1 2.88Å; Q719-E968 VanDerWaalsContact NE2-OE1 3.14Å; R753-E968 IonicContact CZ-OE1 2.73Å; R753-E968 IonicContact CZ-OE2 3.71Å; R753-E968 VanDerWaalsContact CZ-OE2 3.31Å; R753-E968 IonicContact NH1-OE1 3.19Å; R753-E968 PolarHBondContact NH1-OE1 3.01Å; R753-E968 IonicContact NH1-OE2 2.75Å; R753-E968 PolarHBondContact NH1-OE2 2.74Å; R753-E968 VanDerWaalsContact NH1-OE2 3.12Å; R753-E968 IonicContact NH2-OE1 3.99Å; R753-E968 IonicContact NH2-OE2 2.68Å; R753-E968 PolarHBondContact NH2-OE2 3.01Å; L831-E968 HydrophobicContact CD1-CB 3.77Å; I964-E968 WeakPolarHBondContact O-CG 3.48Å; L965-E968 PolarHBondContact O-N 3Å; E968-F970 VanDerWaalsContact C-N 3.31Å; E968-F970 PolarHBondContact O-N 2.96Å; E968-P972 WeakPolarHBondContact O-CD 3.42Å |
| 969 | Y | 92.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -35.6 | 172.1 | 173.6 | -107.4 | 0 | 0 | 0 | 112.8 | P828 L832 L846 F850 L965 P967 | P828-Y969 HydrophobicContact CB-CD2 3.82Å; P828-Y969 HydrophobicContact CB-CE2 3.64Å; P828-Y969 VanDerWaalsContact O-CD2 3.26Å; P828-Y969 WeakPolarHBondContact O-CD2 3.49Å; P828-Y969 VanDerWaalsContact O-CE2 3.26Å; P828-Y969 WeakPolarHBondContact O-CE2 3.39Å; L832-Y969 HydrophobicContact CB-CD2 4.28Å; L832-Y969 HydrophobicContact CB-CE2 3.82Å; L832-Y969 HydrophobicContact CD1-CE2 4.2Å; L832-Y969 HydrophobicContact CD2-CE2 4.37Å; L832-Y969 HydrophobicContact CG-CE2 4.35Å; L846-Y969 HydrophobicContact CB-CD1 3.99Å; L846-Y969 HydrophobicContact CB-CE1 3.69Å; L846-Y969 HydrophobicContact CD1-CD1 4.27Å; L846-Y969 HydrophobicContact CD1-CG 4.46Å; L846-Y969 HydrophobicContact CD2-CD1 4.11Å; L846-Y969 HydrophobicContact CD2-CE1 4.49Å; L846-Y969 HydrophobicContact CG-CD1 4.35Å; F850-Y969 HydrophobicContact CB-CE1 4.13Å; F850-Y969 WeakPolarHBondContact CB-OH 3.46Å; F850-Y969 AromaticContact CD2-CE1 3.84Å; F850-Y969 HydrophobicContact CD2-CE1 3.84Å; F850-Y969 HydrophobicContact CD2-CE2 4.42Å; F850-Y969 AromaticContact CD2-CZ 3.67Å; F850-Y969 WeakPolarHBondContact CD2-OH 3.45Å; F850-Y969 HydrophobicContact CG-CE1 4.35Å; F850-Y969 WeakPolarHBondContact CG-OH 3.38Å; L965-Y969 PolarHBondContact O-N 3.23Å; P967-Y969 VanDerWaalsContact C-N 3.25Å; P967-Y969 PolarHBondContact O-N 3.19Å |
| 970 | F | 89.5 | Confident | 84.9 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -93.5 | -14.4 | -179.7 | -64.9 | -62.6 | 0 | 0 | 0 | 114.2 | L846 I853 T934 V938 A966 P967 E968 I973 R974 | L846-F970 HydrophobicContact CD2-CE2 3.47Å; L846-F970 VanDerWaalsContact CD2-CE2 3.47Å; L846-F970 HydrophobicContact CD2-CZ 3.62Å; I853-F970 HydrophobicContact CD1-CD1 3.61Å; I853-F970 HydrophobicContact CD1-CE1 3.48Å; I853-F970 VanDerWaalsContact CD1-CE1 3.48Å; I853-F970 HydrophobicContact CD1-CZ 4.41Å; T934-F970 HydrophobicContact CG2-CB 3.58Å; T934-F970 HydrophobicContact CG2-CD1 3.91Å; T934-F970 HydrophobicContact CG2-CD2 4.3Å; T934-F970 HydrophobicContact CG2-CG 3.68Å; V938-F970 HydrophobicContact CG2-CD2 4.29Å; V938-F970 HydrophobicContact CG2-CE2 4.4Å; A966-F970 VanDerWaalsContact O-CD2 3.23Å; A966-F970 WeakPolarHBondContact O-CD2 3.25Å; P967-F970 PolarHBondContact O-N 3.18Å; E968-F970 VanDerWaalsContact C-N 3.31Å; E968-F970 PolarHBondContact O-N 2.96Å; F970-I973 HydrophobicContact CB-CG2 4.42Å; F970-I973 HydrophobicContact CD1-CG2 4.43Å; F970-I973 WeakPolarHBondContact O-CG2 3.43Å; F970-I973 PolarHBondContact O-N 2.59Å; F970-R974 PolarHBondContact O-N 2.97Å; F970-R974 VanDerWaalsContact O-N 3.09Å |
| 971 | L | 86.6 | Confident | 83.7 | Confident | 37 Ų | 37 | 30.6 Ų | 30.6 | 19% | 0.194 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.6 | -47.5 | -178.2 | -176.2 | 65.8 | 0 | 0 | 0 | 113.1 | P967 I973 R974 D975 | P967-L971 PolarHBondContact O-N 2.84Å; L971-I973 VanDerWaalsContact C-N 3.28Å; L971-I973 PolarHBondContact O-N 3.06Å; L971-R974 PolarHBondContact O-N 2.84Å; L971-D975 VanDerWaalsContact CD1-OD1 3.28Å; L971-D975 WeakPolarHBondContact CD1-OD1 3.31Å; L971-D975 WeakPolarHBondContact O-CB 3.46Å; L971-D975 PolarHBondContact O-N 3.11Å |
| 972 | P | 87.6 | Confident | 82.5 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -28.5 | -178.7 | -24.7 | 36.3 | 0 | 0 | 0 | 115.1 | N823 M824 I827 P828 E968 F976 | N823-P972 HydrophobicContact CB-CB 4.23Å; M824-P972 HydrophobicContact CB-CB 4.46Å; I827-P972 HydrophobicContact CB-CG 4.01Å; I827-P972 HydrophobicContact CG2-CG 4.1Å; P828-P972 HydrophobicContact CG-CB 4.29Å; P828-P972 HydrophobicContact CG-CG 4.14Å; E968-P972 WeakPolarHBondContact O-CD 3.42Å; P972-F976 PolarHBondContact O-N 2.92Å |
| 973 | I | 83.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -85.9 | -28.1 | 179.2 | -172.3 | 160.9 | 0 | 0 | 0 | 111.8 | M824 F850 I853 I854 M857 F970 L971 S977 | M824-I973 HydrophobicContact SD-CB 4.4Å; M824-I973 HydrophobicContact SD-CD1 4.41Å; M824-I973 HydrophobicContact SD-CG1 4.21Å; F850-I973 HydrophobicContact CE2-CD1 4.28Å; F850-I973 HydrophobicContact CE2-CG2 4.32Å; F850-I973 HydrophobicContact CZ-CD1 4.5Å; I853-I973 HydrophobicContact CB-CD1 4.34Å; I853-I973 HydrophobicContact CG2-CD1 3.58Å; I853-I973 HydrophobicContact CG2-CG1 3.94Å; I853-I973 HydrophobicContact CG2-CG2 4.43Å; I854-I973 HydrophobicContact CD1-CD1 4.47Å; I854-I973 HydrophobicContact CG1-CD1 3.64Å; M857-I973 HydrophobicContact CE-CD1 3.66Å; M857-I973 HydrophobicContact CE-CG1 3.4Å; M857-I973 VanDerWaalsContact CE-CG1 3.4Å; F970-I973 HydrophobicContact CB-CG2 4.42Å; F970-I973 HydrophobicContact CD1-CG2 4.43Å; F970-I973 WeakPolarHBondContact O-CG2 3.43Å; F970-I973 PolarHBondContact O-N 2.59Å; L971-I973 VanDerWaalsContact C-N 3.28Å; L971-I973 PolarHBondContact O-N 3.06Å; I973-S977 PolarHBondContact O-N 3.48Å |
| 974 | R | 80.7 | Confident | 80.4 | Confident | 87 Ų | 87 | 30 Ų | 30 | 33% | 0.328 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.2 | -48.8 | 166.3 | -171.3 | 175.5 | 69.7 | 168.5 | 2.2 | 110.9 | D931 F970 L971 F976 S977 S978 D1375 | D931-R974 VanDerWaalsContact OD1-CD 3.32Å; D931-R974 WeakPolarHBondContact OD1-CD 3.27Å; F970-R974 PolarHBondContact O-N 2.97Å; F970-R974 VanDerWaalsContact O-N 3.09Å; L971-R974 PolarHBondContact O-N 2.84Å; R974-F976 VanDerWaalsContact C-N 3.27Å; R974-F976 PolarHBondContact O-N 2.93Å; R974-S977 PolarHBondContact O-N 2.93Å; R974-S977 VanDerWaalsContact O-N 3.11Å; R974-S978 PolarHBondContact O-N 3.19Å; R974-S978 VanDerWaalsContact O-N 3.17Å; R974-D1375 IonicContact CZ-OD2 2.68Å; R974-D1375 IonicContact NH1-OD2 2.58Å; R974-D1375 PolarHBondContact NH1-OD2 3.35Å; R974-D1375 IonicContact NH2-OD2 2.7Å; R974-D1375 PolarHBondContact NH2-OD2 3.15Å |
| 975 | D | 80.1 | Confident | 79.3 | Confident | 62 Ų | 62 | 32.5 Ų | 32.5 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.2 | -30.8 | 179 | -64.4 | -5.1 | 0 | 0 | 0 | 112.6 | K820 L971 S978 | K820-D975 WeakPolarHBondContact CE-O 3.34Å; K820-D975 PolarHBondContact NZ-O 3.47Å; L971-D975 VanDerWaalsContact CD1-OD1 3.28Å; L971-D975 WeakPolarHBondContact CD1-OD1 3.31Å; L971-D975 WeakPolarHBondContact O-CB 3.46Å; L971-D975 PolarHBondContact O-N 3.11Å; D975-S978 PolarHBondContact O-OG 3.26Å |
| 976 | F | 79.5 | Confident | 78.6 | Confident | 29 Ų | 29 | 32.5 Ų | 32.5 | 13% | 0.127 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 173.4 | -175.9 | -91.3 | 0 | 0 | 0 | 111.8 | I817 K820 M821 M824 M857 P972 R974 Y980 | I817-F976 HydrophobicContact CD1-CE2 4.13Å; K820-F976 HydrophobicContact CB-CD2 3.98Å; M821-F976 HydrophobicContact CG-CE2 4.26Å; M824-F976 HydrophobicContact CE-CD2 4.35Å; M824-F976 HydrophobicContact CE-CG 4.42Å; M824-F976 HydrophobicContact SD-CB 4.4Å; M824-F976 HydrophobicContact SD-CG 4.42Å; M857-F976 HydrophobicContact CE-CD1 4.22Å; M857-F976 HydrophobicContact SD-CD1 3.68Å; M857-F976 HydrophobicContact SD-CE1 3.84Å; P972-F976 PolarHBondContact O-N 2.92Å; R974-F976 VanDerWaalsContact C-N 3.27Å; R974-F976 PolarHBondContact O-N 2.93Å; F976-Y980 HydrophobicContact CE1-CD2 4.06Å |
| 977 | S | 71.3 | Confident | 78 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.4 | -25.6 | -175.5 | -169.7 | 0 | 0 | 0 | 0 | 114.7 | L930 I973 R974 D979 Y980 | L930-S977 WeakPolarHBondContact CD1-OG 3.26Å; I973-S977 PolarHBondContact O-N 3.48Å; R974-S977 PolarHBondContact O-N 2.93Å; R974-S977 VanDerWaalsContact O-N 3.11Å; S977-D979 VanDerWaalsContact C-N 3.27Å; S977-D979 PolarHBondContact O-N 2.84Å; S977-Y980 PolarHBondContact O-N 3.42Å |
| 978 | S | 67.8 | Low | 77.3 | Confident | 72 Ų | 72 | 37 Ų | 37 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.3 | -37.2 | -178.5 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | R974 D975 | R974-S978 PolarHBondContact O-N 3.19Å; R974-S978 VanDerWaalsContact O-N 3.17Å; D975-S978 PolarHBondContact O-OG 3.26Å |
| 979 | D | 72 | Confident | 76.9 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 16.1 | -173.6 | -45.9 | 11.4 | 0 | 0 | 0 | 111 | L816 K820 S977 H981 A982 T983 | L816-D979 HydrophobicContact CD1-CB 4Å; K820-D979 IonicContact NZ-OD1 3.43Å; K820-D979 IonicContact NZ-OD2 3.82Å; K820-D979 PolarHBondContact NZ-OD2 2.93Å; S977-D979 VanDerWaalsContact C-N 3.27Å; S977-D979 PolarHBondContact O-N 2.84Å; D979-H981 PolarHBondContact O-N 2.88Å; D979-A982 PolarHBondContact O-N 2.84Å; D979-A982 VanDerWaalsContact O-N 3.07Å; D979-T983 PolarHBondContact O-N 2.89Å; D979-T983 VanDerWaalsContact O-N 3.14Å |
| 980 | Y | 66.7 | Low | 76.5 | Confident | 52 Ų | 52 | 38.4 Ų | 38.4 | 20% | 0.204 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55 | -35.2 | 178.2 | 178.6 | -107.8 | 0 | 0 | 0 | 111.8 | F976 S977 T983 L984 | F976-Y980 HydrophobicContact CE1-CD2 4.06Å; S977-Y980 PolarHBondContact O-N 3.42Å; Y980-T983 WeakPolarHBondContact CA-OG1 3.18Å; Y980-T983 PolarHBondContact O-N 2.99Å; Y980-T983 PolarHBondContact O-OG1 3.12Å; Y980-L984 HydrophobicContact CD1-CD1 4.07Å; Y980-L984 HydrophobicContact CE1-CD1 3.61Å; Y980-L984 HydrophobicContact CE1-CG 4.15Å; Y980-L984 PolarHBondContact O-N 2.87Å; Y980-L984 VanDerWaalsContact O-N 3.07Å |
| 981 | H | 66.5 | Low | 76.2 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 173.7 | -75.4 | -73.5 | 0 | 0 | 0 | 113 | A923 D979 T983 L984 D985 | A923-H981 WeakPolarHBondContact CB-NE2 3.33Å; D979-H981 PolarHBondContact O-N 2.88Å; H981-T983 PolarHBondContact O-N 2.8Å; H981-L984 WeakPolarHBondContact O-CA 3.27Å; H981-L984 WeakPolarHBondContact O-CB 3.45Å; H981-L984 PolarHBondContact O-N 2.91Å; H981-D985 PolarHBondContact O-N 3.16Å |
| 982 | A | 67 | Low | 75.9 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.9 | -34.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E812 L816 D979 L984 G986 | E812-A982 HydrophobicContact CG-CB 4.33Å; L816-A982 HydrophobicContact CD1-CB 3.78Å; D979-A982 PolarHBondContact O-N 2.84Å; D979-A982 VanDerWaalsContact O-N 3.07Å; A982-L984 VanDerWaalsContact C-N 3.31Å; A982-L984 PolarHBondContact O-N 2.79Å; A982-G986 PolarHBondContact O-N 3.01Å |
| 983 | T | 71.9 | Confident | 75.8 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73 | -18.2 | 174.5 | 67.1 | 0 | 0 | 0 | 0 | 114.9 | Y813 L816 I817 D979 Y980 H981 K987 | Y813-T983 WeakPolarHBondContact CD2-O 3.39Å; L816-T983 HydrophobicContact CB-CG2 4.18Å; I817-T983 HydrophobicContact CD1-CG2 4.3Å; D979-T983 PolarHBondContact O-N 2.89Å; D979-T983 VanDerWaalsContact O-N 3.14Å; Y980-T983 WeakPolarHBondContact CA-OG1 3.18Å; Y980-T983 PolarHBondContact O-N 2.99Å; Y980-T983 PolarHBondContact O-OG1 3.12Å; H981-T983 PolarHBondContact O-N 2.8Å; T983-K987 WeakPolarHBondContact O-CB 3.48Å |
| 984 | L | 68.2 | Low | 75.9 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -83.1 | -44.4 | 170.4 | -72.8 | 176.1 | 0 | 0 | 0 | 111.2 | Q865 Y980 H981 A982 K987 N988 | Q865-L984 HydrophobicContact CB-CD1 4.01Å; Q865-L984 HydrophobicContact CG-CD1 4.26Å; Q865-L984 HydrophobicContact CG-CD2 4.23Å; Y980-L984 HydrophobicContact CD1-CD1 4.07Å; Y980-L984 HydrophobicContact CE1-CD1 3.61Å; Y980-L984 HydrophobicContact CE1-CG 4.15Å; Y980-L984 PolarHBondContact O-N 2.87Å; Y980-L984 VanDerWaalsContact O-N 3.07Å; H981-L984 WeakPolarHBondContact O-CA 3.27Å; H981-L984 WeakPolarHBondContact O-CB 3.45Å; H981-L984 PolarHBondContact O-N 2.91Å; A982-L984 VanDerWaalsContact C-N 3.31Å; A982-L984 PolarHBondContact O-N 2.79Å; L984-K987 WeakPolarHBondContact O-CB 3.29Å; L984-K987 PolarHBondContact O-N 2.83Å; L984-K987 VanDerWaalsContact O-N 3.14Å; L984-N988 PolarHBondContact O-N 2.78Å |
| 985 | D | 68.2 | Low | 76.1 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -49.5 | -177.2 | -64 | -30.3 | 0 | 0 | 0 | 110.7 | H981 K987 N988 A989 | H981-D985 PolarHBondContact O-N 3.16Å; D985-K987 VanDerWaalsContact C-N 3.28Å; D985-K987 PolarHBondContact O-N 2.93Å; D985-N988 PolarHBondContact O-N 2.89Å; D985-N988 VanDerWaalsContact O-N 3.09Å; D985-A989 PolarHBondContact O-N 3.21Å |
| 986 | G | 80 | Confident | 76.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -24.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q809 A982 M990 | Q809-G986 VanDerWaalsContact O-CA 3.29Å; Q809-G986 WeakPolarHBondContact O-CA 3.32Å; A982-G986 PolarHBondContact O-N 3.01Å; G986-M990 WeakPolarHBondContact O-CB 3.26Å; G986-M990 PolarHBondContact O-N 2.84Å |
| 987 | K | 78.1 | Confident | 76.7 | Confident | 104 Ų | 104 | 44.7 Ų | 44.7 | 45% | 0.452 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.5 | -39.8 | 170.4 | -178.8 | -178.3 | 176.4 | -177.1 | 0 | 111.4 | T983 L984 D985 N991 | T983-K987 WeakPolarHBondContact O-CB 3.48Å; L984-K987 WeakPolarHBondContact O-CB 3.29Å; L984-K987 PolarHBondContact O-N 2.83Å; L984-K987 VanDerWaalsContact O-N 3.14Å; D985-K987 VanDerWaalsContact C-N 3.28Å; D985-K987 PolarHBondContact O-N 2.93Å; K987-N991 PolarHBondContact O-N 3.17Å; K987-N991 PolarHBondContact O-ND2 3.35Å |
| 988 | N | 75.1 | Confident | 77.3 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 175.9 | -75.6 | -14.1 | 0 | 0 | 0 | 110.7 | L984 D985 M990 N991 D992 | L984-N988 PolarHBondContact O-N 2.78Å; D985-N988 PolarHBondContact O-N 2.89Å; D985-N988 VanDerWaalsContact O-N 3.09Å; N988-M990 VanDerWaalsContact C-N 3.33Å; N988-M990 PolarHBondContact O-N 3.46Å; N988-N991 WeakPolarHBondContact O-CB 3.11Å; N988-N991 PolarHBondContact O-N 2.94Å; N988-D992 PolarHBondContact O-N 2.78Å |
| 989 | A | 82.2 | Confident | 78 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G806 Q809 V810 D985 N991 D992 V993 | G806-A989 VanDerWaalsContact O-CB 3.31Å; G806-A989 WeakPolarHBondContact O-CB 3.16Å; Q809-A989 HydrophobicContact CB-CB 4.08Å; V810-A989 HydrophobicContact CG2-CB 4.31Å; D985-A989 PolarHBondContact O-N 3.21Å; A989-N991 VanDerWaalsContact C-N 3.27Å; A989-N991 PolarHBondContact O-N 3.47Å; A989-D992 PolarHBondContact O-N 3.24Å; A989-V993 VanDerWaalsContact O-CG2 3.32Å; A989-V993 WeakPolarHBondContact O-CG2 3.26Å; A989-V993 PolarHBondContact O-N 3.4Å |
| 990 | M | 84.1 | Confident | 77.9 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -39.7 | 173.4 | -175.7 | 66.2 | 82.3 | 0 | 0 | 112.2 | L775 V810 G986 N988 N994 | L775-M990 HydrophobicContact CD2-CE 4.35Å; L775-M990 HydrophobicContact CD2-SD 4.02Å; V810-M990 HydrophobicContact CB-CE 4.45Å; V810-M990 HydrophobicContact CG1-CE 3.46Å; V810-M990 VanDerWaalsContact CG1-CE 3.46Å; V810-M990 HydrophobicContact CG1-SD 4.46Å; V810-M990 HydrophobicContact CG2-CB 3.96Å; V810-M990 HydrophobicContact CG2-CE 4.09Å; V810-M990 HydrophobicContact CG2-SD 4.33Å; G986-M990 WeakPolarHBondContact O-CB 3.26Å; G986-M990 PolarHBondContact O-N 2.84Å; N988-M990 VanDerWaalsContact C-N 3.33Å; N988-M990 PolarHBondContact O-N 3.46Å; M990-N994 WeakPolarHBondContact O-CB 3.38Å; M990-N994 VanDerWaalsContact O-CG 3.22Å; M990-N994 PolarHBondContact O-N 2.84Å; M990-N994 PolarHBondContact O-ND2 3.44Å |
| 991 | N | 83.1 | Confident | 77.9 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 178 | -59.6 | -37.1 | 0 | 0 | 0 | 111.7 | K987 N988 A989 N994 Q995 | K987-N991 PolarHBondContact O-N 3.17Å; K987-N991 PolarHBondContact O-ND2 3.35Å; N988-N991 WeakPolarHBondContact O-CB 3.11Å; N988-N991 PolarHBondContact O-N 2.94Å; A989-N991 VanDerWaalsContact C-N 3.27Å; A989-N991 PolarHBondContact O-N 3.47Å; N991-N994 PolarHBondContact O-N 2.71Å; N991-Q995 WeakPolarHBondContact O-CB 3.23Å; N991-Q995 PolarHBondContact O-N 3.36Å |
| 992 | D | 80.5 | Confident | 77.4 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 178.3 | -70.6 | -8.8 | 0 | 0 | 0 | 111.6 | T802 N988 A989 | T802-D992 HydrophobicContact CG2-CB 4.24Å; N988-D992 PolarHBondContact O-N 2.78Å; A989-D992 PolarHBondContact O-N 3.24Å |
| 993 | V | 85.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L775 L779 T802 I807 A989 Q995 I996 L997 | L775-V993 HydrophobicContact CD1-CG1 4Å; L775-V993 HydrophobicContact CD2-CG1 4.05Å; L775-V993 HydrophobicContact CG-CG1 3.94Å; L779-V993 HydrophobicContact CD2-CG1 4.28Å; L779-V993 HydrophobicContact CD2-CG2 4.25Å; T802-V993 HydrophobicContact CG2-CB 4.48Å; T802-V993 HydrophobicContact CG2-CG2 3.64Å; I807-V993 HydrophobicContact CD1-CG1 4.19Å; I807-V993 HydrophobicContact CD1-CG2 3.88Å; A989-V993 VanDerWaalsContact O-CG2 3.32Å; A989-V993 WeakPolarHBondContact O-CG2 3.26Å; A989-V993 PolarHBondContact O-N 3.4Å; V993-Q995 VanDerWaalsContact C-N 3.32Å; V993-Q995 PolarHBondContact O-N 2.98Å; V993-I996 PolarHBondContact O-N 3.21Å; V993-I996 VanDerWaalsContact O-N 3.11Å; V993-L997 HydrophobicContact CG1-CD1 3.84Å; V993-L997 HydrophobicContact CG1-CG 4.33Å; V993-L997 WeakPolarHBondContact O-CG 3.47Å; V993-L997 PolarHBondContact O-N 3.04Å; V993-L997 VanDerWaalsContact O-N 3.09Å |
| 994 | N | 85.6 | Confident | 75.8 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | -179.9 | -74.1 | -17.2 | 0 | 0 | 0 | 112.1 | M990 N991 I996 L997 E998 | M990-N994 WeakPolarHBondContact O-CB 3.38Å; M990-N994 VanDerWaalsContact O-CG 3.22Å; M990-N994 PolarHBondContact O-N 2.84Å; M990-N994 PolarHBondContact O-ND2 3.44Å; N991-N994 PolarHBondContact O-N 2.71Å; N994-I996 PolarHBondContact O-N 3.18Å; N994-I996 VanDerWaalsContact O-N 3.14Å; N994-L997 PolarHBondContact O-N 2.83Å; N994-E998 WeakPolarHBondContact O-CB 3.48Å; N994-E998 WeakPolarHBondContact O-CG 3.21Å; N994-E998 PolarHBondContact O-N 2.79Å |
| 995 | Q | 84.7 | Confident | 75.2 | Confident | 113 Ų | 113 | 68.1 Ų | 68.1 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.2 | -29.1 | 176.3 | -171.6 | -177.6 | 84 | 0 | 0 | 112.9 | N991 V993 | N991-Q995 WeakPolarHBondContact O-CB 3.23Å; N991-Q995 PolarHBondContact O-N 3.36Å; V993-Q995 VanDerWaalsContact C-N 3.32Å; V993-Q995 PolarHBondContact O-N 2.98Å |
| 996 | I | 85.3 | Confident | 75.1 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -83.3 | -39.8 | 174.4 | -60.3 | 173.4 | 0 | 0 | 0 | 111 | L779 K782 I783 L786 V790 T802 V993 N994 E998 L999 | L779-I996 HydrophobicContact CD1-CB 3.84Å; L779-I996 HydrophobicContact CD1-CD1 4.22Å; L779-I996 HydrophobicContact CD1-CG2 3.61Å; K782-I996 HydrophobicContact CG-CG2 4.45Å; I783-I996 HydrophobicContact CG1-CG2 4.5Å; L786-I996 HydrophobicContact CD1-CG2 4.48Å; V790-I996 HydrophobicContact CG2-CG2 4.5Å; T802-I996 HydrophobicContact CG2-CD1 4.33Å; V993-I996 PolarHBondContact O-N 3.21Å; V993-I996 VanDerWaalsContact O-N 3.11Å; N994-I996 PolarHBondContact O-N 3.18Å; N994-I996 VanDerWaalsContact O-N 3.14Å; I996-E998 VanDerWaalsContact C-N 3.33Å; I996-E998 PolarHBondContact O-N 3.47Å; I996-L999 HydrophobicContact CG2-CD1 4.48Å; I996-L999 WeakPolarHBondContact O-CB 3.21Å; I996-L999 PolarHBondContact O-N 2.98Å |
| 997 | L | 86.7 | Confident | 74.6 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 18% | 0.178 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.4 | -33.2 | 178.3 | -67.4 | 176.2 | 0 | 0 | 0 | 113.1 | L775 Q778 L779 K782 V993 N994 L999 | L775-L997 HydrophobicContact CD1-CD1 3.7Å; Q778-L997 HydrophobicContact CB-CD2 4.06Å; L779-L997 HydrophobicContact CB-CD2 4.37Å; K782-L997 HydrophobicContact CB-CD2 4.08Å; K782-L997 WeakPolarHBondContact CE-O 3.49Å; K782-L997 HydrophobicContact CG-CD2 4.36Å; K782-L997 PolarHBondContact NZ-O 3.43Å; V993-L997 HydrophobicContact CG1-CD1 3.84Å; V993-L997 HydrophobicContact CG1-CG 4.33Å; V993-L997 WeakPolarHBondContact O-CG 3.47Å; V993-L997 PolarHBondContact O-N 3.04Å; V993-L997 VanDerWaalsContact O-N 3.09Å; N994-L997 PolarHBondContact O-N 2.83Å; L997-L999 VanDerWaalsContact C-N 3.31Å; L997-L999 PolarHBondContact O-N 3.42Å |
| 998 | E | 85.4 | Confident | 74.2 | Confident | 156 Ų | 156 | 78.4 Ų | 78.4 | 73% | 0.729 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -11.6 | 178.2 | -72.8 | 175.5 | -168.5 | 0 | 0 | 114 | N994 I996 | N994-E998 WeakPolarHBondContact O-CB 3.48Å; N994-E998 WeakPolarHBondContact O-CG 3.21Å; N994-E998 PolarHBondContact O-N 2.79Å; I996-E998 VanDerWaalsContact C-N 3.33Å; I996-E998 PolarHBondContact O-N 3.47Å |
| 999 | L | 80.7 | Confident | 74.3 | Confident | 52 Ų | 52 | 76.4 Ų | 76.4 | 27% | 0.272 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -59.8 | 132.7 | 177 | -68.2 | 173.5 | 0 | 0 | 0 | 110.8 | K782 L786 V790 I996 L997 E1001 | K782-L999 WeakPolarHBondContact CE-O 3.21Å; K782-L999 PolarHBondContact NZ-O 3.25Å; L786-L999 HydrophobicContact CD1-CB 4Å; L786-L999 HydrophobicContact CD1-CD1 3.69Å; L786-L999 HydrophobicContact CD1-CG 4.49Å; L786-L999 HydrophobicContact CD2-CB 4.24Å; V790-L999 HydrophobicContact CG2-CD1 3.87Å; I996-L999 HydrophobicContact CG2-CD1 4.48Å; I996-L999 WeakPolarHBondContact O-CB 3.21Å; I996-L999 PolarHBondContact O-N 2.98Å; L997-L999 VanDerWaalsContact C-N 3.31Å; L997-L999 PolarHBondContact O-N 3.42Å; L999-E1001 PolarHBondContact O-N 2.96Å |
| 1000 | P | 71.6 | Confident | 74.2 | Confident | 114 Ų | 114 | 78.9 Ų | 78.9 | 74% | 0.74 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 132.9 | -173.5 | 25.4 | -34 | 0 | 0 | 0 | 112.3 | ||
| 1001 | E | 65.8 | Low | 74 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 128.8 | 171.5 | -77 | 167.7 | -120.4 | 0 | 0 | 111 | K782 R785 L999 Q1003 | K782-E1001 WeakPolarHBondContact CD-OE1 3.49Å; K782-E1001 WeakPolarHBondContact CE-OE1 3.08Å; K782-E1001 IonicContact NZ-OE1 3.67Å; K782-E1001 PolarHBondContact NZ-OE1 3.23Å; R785-E1001 WeakPolarHBondContact CD-OE2 3.38Å; R785-E1001 IonicContact CZ-OE2 3.01Å; R785-E1001 IonicContact NE-OE2 3.94Å; R785-E1001 IonicContact NH1-OE1 3.8Å; R785-E1001 IonicContact NH1-OE2 2.67Å; R785-E1001 PolarHBondContact NH1-OE2 3.3Å; L999-E1001 PolarHBondContact O-N 2.96Å; E1001-Q1003 HydrophobicContact CB-CG 4.44Å; E1001-Q1003 PolarHBondContact OE2-NE2 2.72Å |
| 1002 | T | 55.2 | Low | 74.1 | Confident | 103 Ų | 103 | 77.4 Ų | 77.4 | 63% | 0.632 | 41% | 0.413 | S | S | * | . | trans | -91.8 | 96.8 | 168.1 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1003 | Q | 52.3 | Low | 74.3 | Confident | 140 Ų | 140 | 76.3 Ų | 76.3 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | trans | -105 | 111.2 | 173.7 | -62 | -174.8 | 19.1 | 0 | 0 | 110.5 | E1001 | E1001-Q1003 HydrophobicContact CB-CG 4.44Å; E1001-Q1003 PolarHBondContact OE2-NE2 2.72Å | ||
| 1004 | D | 53.9 | Low | 74.1 | Confident | 76 Ų | 76 | 79 Ų | 79 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 163.7 | 164.8 | -86.7 | -46.2 | 0 | 0 | 0 | 111.4 | Q1006 R1066 | D1004-Q1006 PolarHBondContact O-N 3.32Å; D1004-R1066 IonicContact OD2-CZ 2.68Å; D1004-R1066 IonicContact OD2-NH1 3.75Å; D1004-R1066 PolarHBondContact OD2-NH1 3.39Å; D1004-R1066 IonicContact OD2-NH2 2.7Å; D1004-R1066 PolarHBondContact OD2-NH2 3.5Å |
| 1005 | A | 56 | Low | 73.9 | Confident | 82 Ų | 82 | 81.6 Ų | 81.6 | 68% | 0.678 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 131 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1006 | Q | 65.7 | Low | 74 | Confident | 143 Ų | 143 | 76.3 Ų | 76.3 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 130 | 179.2 | -64.6 | 178.1 | -8.9 | 0 | 0 | 111.8 | D1004 P1085 | D1004-Q1006 PolarHBondContact O-N 3.32Å; Q1006-P1085 HydrophobicContact CG-CG 4.23Å |
| 1007 | L | 69.2 | Low | 74 | Confident | 68 Ų | 68 | 81 Ų | 81 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | trans | -108.9 | 128.4 | -177.3 | -66.9 | 170.4 | 0 | 0 | 0 | 111.6 | L1009 L1079 Q1086 | L1007-L1009 PolarHBondContact O-N 3.06Å; L1007-L1079 HydrophobicContact CD1-CD2 3.68Å; L1007-Q1086 PolarHBondContact O-OE1 3.43Å | ||
| 1008 | K | 69.8 | Low | 74 | Confident | 179 Ų | 179 | 79.6 Ų | 79.6 | 78% | 0.778 | 44% | 0.436 | S | S | * | . | trans | -74.4 | 93.4 | 176.7 | -72.7 | -166.9 | 175.3 | -170 | 0 | 111.9 | Q1077 | K1008-Q1077 PolarHBondContact O-NE2 2.72Å; K1008-Q1077 PolarHBondContact O-OE1 3.36Å | ||
| 1009 | L | 77.1 | Confident | 74.1 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 8% | 0.084 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 138.6 | 174.6 | -57.3 | 170.3 | 0 | 0 | 0 | 111 | L1007 F1074 Q1077 L1079 Q1084 Q1086 W1087 | L1007-L1009 PolarHBondContact O-N 3.06Å; L1009-F1074 HydrophobicContact CB-CD1 4.13Å; L1009-F1074 HydrophobicContact CB-CE1 3.98Å; L1009-F1074 HydrophobicContact CD2-CD1 3.77Å; L1009-F1074 HydrophobicContact CD2-CE1 4.47Å; L1009-F1074 HydrophobicContact CG-CD1 4.39Å; L1009-Q1077 VanDerWaalsContact CD2-OE1 3.28Å; L1009-L1079 HydrophobicContact CD1-CD1 4.23Å; L1009-L1079 HydrophobicContact CD1-CD2 4.41Å; L1009-L1079 HydrophobicContact CD2-CD1 4.23Å; L1009-L1079 HydrophobicContact CD2-CD2 3.8Å; L1009-L1079 HydrophobicContact CD2-CG 4.34Å; L1009-Q1084 HydrophobicContact CD1-CB 3.98Å; L1009-Q1086 HydrophobicContact CB-CB 3.85Å; L1009-Q1086 HydrophobicContact CD1-CB 4.35Å; L1009-Q1086 HydrophobicContact CG-CB 4.28Å; L1009-W1087 HydrophobicContact CD1-CB 3.81Å |
| 1010 | P | 80.1 | Confident | 74.2 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 37% | 0.37 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 161.2 | 171.1 | 29.9 | -35.8 | 0 | 0 | 0 | 112.6 | F1074 N1075 Q1090 | P1010-F1074 HydrophobicContact CG-CE1 3.73Å; P1010-F1074 HydrophobicContact CG-CZ 4.12Å; P1010-F1074 WeakPolarHBondContact O-CE1 3.27Å; P1010-F1074 VanDerWaalsContact O-CZ 3.32Å; P1010-F1074 WeakPolarHBondContact O-CZ 3.41Å; P1010-N1075 HydrophobicContact CG-CB 4.5Å; P1010-Q1090 PolarHBondContact O-NE2 3.11Å |
| 1011 | T | 80.9 | Confident | 74.8 | Confident | 94 Ų | 94 | 69 Ų | 69 | 58% | 0.577 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 140.1 | 176.4 | -41.4 | 0 | 0 | 0 | 0 | 112.2 | Q1090 | T1011-Q1090 VanDerWaalsContact CA-OE1 3.3Š|
| 1012 | W | 84.5 | Confident | 75.7 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 142.3 | 176.4 | -169.5 | -86.5 | 0 | 0 | 0 | 111.6 | S1016 L1018 G1040 Y1041 F1074 K1172 I1173 L1203 | W1012-S1016 WeakPolarHBondContact CZ2-O 3.23Å; W1012-L1018 HydrophobicContact CH2-CB 3.9Å; W1012-L1018 HydrophobicContact CZ3-CB 3.92Å; W1012-G1040 WeakPolarHBondContact CZ2-O 3.19Å; W1012-G1040 PolarHBondContact NE1-O 3.43Å; W1012-Y1041 AromaticContact CD1-CE1 3.83Å; W1012-F1074 HydrophobicContact CD2-CE2 4.41Å; W1012-F1074 HydrophobicContact CE3-CD2 4.02Å; W1012-F1074 AromaticContact CE3-CE2 3.33Å; W1012-F1074 HydrophobicContact CE3-CE2 3.33Å; W1012-F1074 HydrophobicContact CE3-CZ 4.15Å; W1012-F1074 AromaticContact CZ3-CD2 3.75Å; W1012-F1074 HydrophobicContact CZ3-CD2 3.75Å; W1012-F1074 AromaticContact CZ3-CE2 3.5Å; W1012-F1074 HydrophobicContact CZ3-CE2 3.5Å; W1012-F1074 VanDerWaalsContact CZ3-CE2 3.5Å; W1012-K1172 HydrophobicContact CB-CB 4Å; W1012-I1173 HydrophobicContact CB-CD1 4.22Å; W1012-I1173 HydrophobicContact CB-CG1 3.98Å; W1012-I1173 HydrophobicContact CD2-CD1 4.4Å; W1012-I1173 HydrophobicContact CD2-CG1 4.46Å; W1012-I1173 HydrophobicContact CE3-CD1 4.18Å; W1012-I1173 HydrophobicContact CG-CD1 4.4Å; W1012-I1173 HydrophobicContact CG-CG1 4.09Å; W1012-L1203 HydrophobicContact CD2-CB 4.49Å; W1012-L1203 HydrophobicContact CD2-CD2 3.93Å; W1012-L1203 HydrophobicContact CE3-CD2 4.08Å; W1012-L1203 HydrophobicContact CH2-CD2 3.91Å; W1012-L1203 HydrophobicContact CZ2-CB 4.49Å; W1012-L1203 HydrophobicContact CZ2-CD2 3.71Å; W1012-L1203 HydrophobicContact CZ2-CG 4.47Å; W1012-L1203 HydrophobicContact CZ3-CD2 4.08Å |
| 1013 | S | 84.3 | Confident | 76.7 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | trans | -151.2 | 169.1 | -172.2 | 72.1 | 0 | 0 | 0 | 0 | 110.7 | D1015 S1016 | S1013-D1015 PolarHBondContact O-N 3.3Å; S1013-D1015 VanDerWaalsContact O-N 3.09Å; S1013-S1016 PolarHBondContact N-OG 3.27Å; S1013-S1016 WeakPolarHBondContact O-CB 3.47Å; S1013-S1016 PolarHBondContact O-N 3.47Å; S1013-S1016 PolarHBondContact OG-N 2.87Å; S1013-S1016 PolarHBondContact OG-OG 3.47Å | ||
| 1014 | A | 81.1 | Confident | 77.7 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1040 Y1041 | A1014-G1040 WeakPolarHBondContact O-CA 3.45Å; A1014-Y1041 HydrophobicContact CB-CD2 4.24Å; A1014-Y1041 HydrophobicContact CB-CE2 3.94Å |
| 1015 | D | 82.6 | Confident | 78.5 | Confident | 109 Ų | 109 | 59.9 Ų | 59.9 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -10.9 | 177.4 | -80.5 | -57.1 | 0 | 0 | 0 | 114.5 | S1013 R1039 | S1013-D1015 PolarHBondContact O-N 3.3Å; S1013-D1015 VanDerWaalsContact O-N 3.09Å; D1015-R1039 IonicContact OD1-CZ 3.58Å; D1015-R1039 IonicContact OD1-NH2 3.93Å; D1015-R1039 PolarHBondContact OD1-NH2 3.45Å |
| 1016 | S | 86.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | trans | -63.9 | 146.9 | -177.4 | -70 | 0 | 0 | 0 | 0 | 112.4 | W1012 S1013 R1039 G1040 N1075 | W1012-S1016 WeakPolarHBondContact CZ2-O 3.23Å; S1013-S1016 PolarHBondContact N-OG 3.27Å; S1013-S1016 WeakPolarHBondContact O-CB 3.47Å; S1013-S1016 PolarHBondContact O-N 3.47Å; S1013-S1016 PolarHBondContact OG-N 2.87Å; S1013-S1016 PolarHBondContact OG-OG 3.47Å; S1016-R1039 CarbonylContact O-C 3.55Å; S1016-R1039 VanDerWaalsContact O-CA 3.3Å; S1016-R1039 WeakPolarHBondContact O-CA 3.25Å; S1016-G1040 PolarHBondContact O-N 3.37Å; S1016-N1075 VanDerWaalsContact CA-OD1 3.3Å; S1016-N1075 WeakPolarHBondContact CA-OD1 3.38Å; S1016-N1075 PolarHBondContact OG-ND2 3.43Å; S1016-N1075 VanDerWaalsContact OG-ND2 3.11Å | ||
| 1017 | Q | 85.8 | Confident | 78.3 | Confident | 106 Ų | 106 | 58.1 Ų | 58.1 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.6 | -177 | -70.9 | 174.9 | 56.4 | 0 | 0 | 111.6 | V1038 R1039 N1075 | Q1017-V1038 WeakPolarHBondContact CA-O 3.48Å; Q1017-R1039 HydrophobicContact CG-CB 4.05Å; Q1017-R1039 HydrophobicContact CG-CG 3.79Å; Q1017-N1075 PolarHBondContact N-OD1 3.3Å; Q1017-N1075 PolarHBondContact O-N 3.1Å |
| 1018 | L | 86.2 | Confident | 77.6 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.2 | 174.6 | -168.3 | 72.6 | 0 | 0 | 0 | 109.7 | W1012 V1020 K1037 V1038 I1072 R1073 F1074 F1082 W1087 | W1012-L1018 HydrophobicContact CH2-CB 3.9Å; W1012-L1018 HydrophobicContact CZ3-CB 3.92Å; L1018-V1020 HydrophobicContact CD1-CG2 4.41Å; L1018-V1020 HydrophobicContact CD2-CG2 3.5Å; L1018-V1020 HydrophobicContact CG-CG2 3.63Å; L1018-K1037 CarbonylContact O-C 3.57Å; L1018-K1037 VanDerWaalsContact O-CA 3.3Å; L1018-K1037 WeakPolarHBondContact O-CA 3.33Å; L1018-V1038 HydrophobicContact CB-CB 4.42Å; L1018-V1038 PolarHBondContact N-O 2.96Å; L1018-V1038 PolarHBondContact O-N 3.48Å; L1018-I1072 HydrophobicContact CD1-CG2 4.42Å; L1018-R1073 CarbonylContact C-O 3.33Å; L1018-R1073 WeakPolarHBondContact CA-O 3.49Å; L1018-F1074 HydrophobicContact CD1-CB 3.96Å; L1018-F1074 HydrophobicContact CD1-CD2 4.36Å; L1018-F1082 HydrophobicContact CD1-CE1 4.1Å; L1018-F1082 HydrophobicContact CD1-CZ 4.38Å; L1018-F1082 HydrophobicContact CD2-CE1 4.37Å; L1018-F1082 HydrophobicContact CD2-CZ 4.32Å; L1018-W1087 HydrophobicContact CD1-CH2 4.23Å; L1018-W1087 HydrophobicContact CD1-CZ3 4.24Å; L1018-W1087 HydrophobicContact CD2-CH2 3.93Å |
| 1019 | S | 86.3 | Confident | 76.6 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.7 | 168.5 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | K1037 I1072 R1073 | S1019-K1037 VanDerWaalsContact OG-CE 3.29Å; S1019-K1037 WeakPolarHBondContact OG-CE 3.5Å; S1019-I1072 CarbonylContact O-C 3.47Å; S1019-I1072 WeakPolarHBondContact O-CA 3.15Å; S1019-R1073 PolarHBondContact N-O 3.3Å; S1019-R1073 PolarHBondContact O-N 3.36Å |
| 1020 | V | 84.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.1 | -174.7 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | L1018 M1022 D1035 F1036 L1061 I1072 F1082 | L1018-V1020 HydrophobicContact CD1-CG2 4.41Å; L1018-V1020 HydrophobicContact CD2-CG2 3.5Å; L1018-V1020 HydrophobicContact CG-CG2 3.63Å; V1020-M1022 HydrophobicContact CG1-CE 4.29Å; V1020-M1022 HydrophobicContact CG1-CG 4.09Å; V1020-M1022 HydrophobicContact CG1-SD 3.73Å; V1020-D1035 CarbonylContact O-C 3.3Å; V1020-D1035 VanDerWaalsContact O-CA 3.29Å; V1020-D1035 WeakPolarHBondContact O-CA 3.42Å; V1020-F1036 HydrophobicContact CB-CD1 4.02Å; V1020-F1036 HydrophobicContact CB-CE1 3.68Å; V1020-F1036 HydrophobicContact CB-CE2 4.4Å; V1020-F1036 HydrophobicContact CB-CZ 3.89Å; V1020-F1036 HydrophobicContact CG1-CD1 4.45Å; V1020-F1036 HydrophobicContact CG1-CE1 3.84Å; V1020-F1036 HydrophobicContact CG1-CZ 4.28Å; V1020-F1036 HydrophobicContact CG2-CE1 4.03Å; V1020-F1036 HydrophobicContact CG2-CE2 4.02Å; V1020-F1036 HydrophobicContact CG2-CZ 3.69Å; V1020-F1036 PolarHBondContact N-O 3.33Å; V1020-F1036 PolarHBondContact O-N 2.98Å; V1020-L1061 HydrophobicContact CG1-CD2 4.39Å; V1020-L1061 HydrophobicContact CG2-CD2 4.42Å; V1020-I1072 HydrophobicContact CG1-CG1 4.38Å; V1020-F1082 HydrophobicContact CG1-CE2 4.12Å; V1020-F1082 HydrophobicContact CG1-CZ 4.3Å; V1020-F1082 HydrophobicContact CG2-CE2 4.47Å; V1020-F1082 HydrophobicContact CG2-CZ 3.84Å |
| 1021 | K | 83.5 | Confident | 73.7 | Confident | 67 Ų | 67 | 67 Ų | 67 | 29% | 0.291 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.8 | 161.9 | -172.4 | 174.5 | -174.2 | 61.2 | 0 | 108.7 | E1033 V1034 D1035 S1070 Q1071 | K1021-E1033 WeakPolarHBondContact CE-OE1 3.26Å; K1021-E1033 IonicContact NZ-OE1 2.99Å; K1021-E1033 PolarHBondContact NZ-OE1 3.39Å; K1021-V1034 WeakPolarHBondContact CA-O 3.37Å; K1021-D1035 VanDerWaalsContact CD-OD2 3.31Å; K1021-D1035 WeakPolarHBondContact CD-OD2 3.18Å; K1021-D1035 WeakPolarHBondContact CE-OD2 3.16Å; K1021-D1035 HydrophobicContact CG-CB 4.26Å; K1021-D1035 IonicContact NZ-OD2 3.82Å; K1021-D1035 PolarHBondContact NZ-OD2 2.87Å; K1021-S1070 CarbonylContact O-C 3.58Å; K1021-S1070 WeakPolarHBondContact O-CA 3.21Å; K1021-Q1071 HydrophobicContact CB-CB 4.44Å; K1021-Q1071 PolarHBondContact N-O 2.96Å; K1021-Q1071 PolarHBondContact O-N 2.99Å |
| 1022 | M | 83.7 | Confident | 72.6 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 153.8 | -174.6 | 63.4 | -171.7 | -168.6 | 0 | 0 | 113.6 | V1020 E1033 V1034 L1057 L1060 L1061 P1067 A1069 F1082 | V1020-M1022 HydrophobicContact CG1-CE 4.29Å; V1020-M1022 HydrophobicContact CG1-CG 4.09Å; V1020-M1022 HydrophobicContact CG1-SD 3.73Å; M1022-E1033 WeakPolarHBondContact O-CA 3.44Å; M1022-V1034 HydrophobicContact CE-CB 4.4Å; M1022-V1034 HydrophobicContact CE-CG2 4.39Å; M1022-V1034 HydrophobicContact CG-CB 4.36Å; M1022-V1034 PolarHBondContact N-O 2.83Å; M1022-V1034 PolarHBondContact O-N 3.43Å; M1022-L1057 HydrophobicContact CE-CD1 3.37Å; M1022-L1060 HydrophobicContact CE-CB 3.56Å; M1022-L1060 HydrophobicContact CE-CD1 4.01Å; M1022-L1060 HydrophobicContact CE-CG 4.35Å; M1022-L1060 HydrophobicContact SD-CB 4.14Å; M1022-L1061 HydrophobicContact CE-CD2 4.48Å; M1022-P1067 HydrophobicContact CB-CB 3.93Å; M1022-P1067 HydrophobicContact CB-CG 4.27Å; M1022-A1069 CarbonylContact C-O 3.5Å; M1022-A1069 WeakPolarHBondContact CA-O 3.45Å; M1022-F1082 HydrophobicContact SD-CE2 4.39Å |
| 1023 | Q | 78 | Confident | 71.8 | Confident | 85 Ų | 85 | 67.3 Ų | 67.3 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.1 | 178.4 | -175.6 | -179.8 | -4.4 | 0 | 0 | 110.8 | A1032 P1067 D1068 A1069 | Q1023-A1032 CarbonylContact C-O 3.44Å; Q1023-A1032 WeakPolarHBondContact CA-O 3.42Å; Q1023-P1067 CarbonylContact O-C 3.6Å; Q1023-P1067 VanDerWaalsContact O-CA 3.32Å; Q1023-P1067 WeakPolarHBondContact O-CA 3.32Å; Q1023-P1067 WeakPolarHBondContact O-CB 3.3Å; Q1023-D1068 PolarHBondContact O-N 3.19Å; Q1023-A1069 HydrophobicContact CB-CB 4.43Å; Q1023-A1069 PolarHBondContact N-O 2.94Å; Q1023-A1069 PolarHBondContact O-N 3.17Å |
| 1024 | Y | 73.5 | Confident | 71.4 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 120.6 | 177 | 176.8 | -100.5 | 0 | 0 | 0 | 111.7 | Y1026 G1031 A1032 T1056 L1060 L1065 R1066 | Y1024-Y1026 HydrophobicContact CD1-CE2 4.33Å; Y1024-Y1026 HydrophobicContact CE1-CD1 4.28Å; Y1024-Y1026 HydrophobicContact CE1-CE1 4.16Å; Y1024-Y1026 HydrophobicContact CE1-CE2 4.39Å; Y1024-Y1026 HydrophobicContact CE1-CG 4.47Å; Y1024-G1031 CarbonylContact O-C 3.57Å; Y1024-G1031 WeakPolarHBondContact O-CA 3.39Å; Y1024-A1032 PolarHBondContact N-O 3.43Å; Y1024-A1032 PolarHBondContact O-N 3.44Å; Y1024-T1056 HydrophobicContact CD1-CG2 4.2Å; Y1024-T1056 HydrophobicContact CE1-CG2 4.38Å; Y1024-L1060 HydrophobicContact CD2-CD2 4.28Å; Y1024-L1060 HydrophobicContact CG-CD1 4.4Å; Y1024-L1060 HydrophobicContact CG-CD2 4.22Å; Y1024-L1065 HydrophobicContact CE1-CD1 4.28Å; Y1024-L1065 HydrophobicContact CE2-CD2 4.43Å; Y1024-R1066 WeakPolarHBondContact CD2-O 3.44Å |
| 1025 | N | 68.8 | Low | 71.5 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 31% | 0.31 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 148.7 | 177 | -59.2 | -79.6 | 0 | 0 | 0 | 111.5 | G1031 D1068 | N1025-G1031 WeakPolarHBondContact OD1-CA 3.14Å; N1025-G1031 PolarHBondContact OD1-N 3.3Å; N1025-D1068 WeakPolarHBondContact CB-OD2 3.45Å; N1025-D1068 PolarHBondContact N-OD2 2.71Å; N1025-D1068 PolarHBondContact ND2-OD2 2.79Å |
| 1026 | Y | 61.5 | Low | 71.6 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 149.5 | 168.6 | -64.1 | -99.2 | 0 | 0 | 0 | 108.3 | Y1024 E1028 K1029 T1056 | Y1024-Y1026 HydrophobicContact CD1-CE2 4.33Å; Y1024-Y1026 HydrophobicContact CE1-CD1 4.28Å; Y1024-Y1026 HydrophobicContact CE1-CE1 4.16Å; Y1024-Y1026 HydrophobicContact CE1-CE2 4.39Å; Y1024-Y1026 HydrophobicContact CE1-CG 4.47Å; Y1026-E1028 PolarHBondContact O-N 2.99Å; Y1026-K1029 PolarHBondContact N-O 2.91Å; Y1026-K1029 PolarHBondContact O-N 3.22Å; Y1026-K1029 VanDerWaalsContact O-O 3.12Å; Y1026-T1056 WeakPolarHBondContact OH-CB 3.41Å; Y1026-T1056 WeakPolarHBondContact OH-CG2 3.4Å; Y1026-T1056 PolarHBondContact OH-OG1 3.07Å |
| 1027 | A | 57.3 | Low | 71.6 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 96% | 0.959 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -25.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1028 | E | 53.7 | Low | 71.6 | Confident | 184 Ų | 184 | 63 Ų | 63 | 86% | 0.86 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | -0.6 | 178.8 | -58.5 | -173.9 | 152.2 | 0 | 0 | 114.9 | Y1026 | Y1026-E1028 PolarHBondContact O-N 2.99Š|
| 1029 | K | 48.9 | Very low | 71.5 | Confident | 143 Ų | 143 | 68.9 Ų | 68.9 | 62% | 0.622 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 143 | -172.9 | -65.7 | -170.9 | -179.7 | -179.4 | 0 | 114.1 | Y1026 | Y1026-K1029 PolarHBondContact N-O 2.91Å; Y1026-K1029 PolarHBondContact O-N 3.22Å; Y1026-K1029 VanDerWaalsContact O-O 3.12Å |
| 1030 | L | 45.4 | Very low | 71.5 | Confident | 163 Ų | 163 | 67.5 Ų | 67.5 | 85% | 0.853 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -41.5 | 132.1 | 178.3 | -84.6 | 160.1 | 0 | 0 | 0 | 113.4 | ||
| 1031 | G | 50.6 | Low | 71.7 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 169.2 | -171 | 0 | 0 | 0 | 0 | 0 | 117.7 | Y1024 N1025 | Y1024-G1031 CarbonylContact O-C 3.57Å; Y1024-G1031 WeakPolarHBondContact O-CA 3.39Å; N1025-G1031 WeakPolarHBondContact OD1-CA 3.14Å; N1025-G1031 PolarHBondContact OD1-N 3.3Å |
| 1032 | A | 58.6 | Low | 71.8 | Confident | 6 Ų | 6 | 71 Ų | 71 | 5% | 0.05 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 140.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1023 Y1024 R1226 | Q1023-A1032 CarbonylContact C-O 3.44Å; Q1023-A1032 WeakPolarHBondContact CA-O 3.42Å; Y1024-A1032 PolarHBondContact N-O 3.43Å; Y1024-A1032 PolarHBondContact O-N 3.44Å; A1032-R1226 WeakPolarHBondContact CA-O 3.4Å; A1032-R1226 WeakPolarHBondContact CB-O 3.33Å |
| 1033 | E | 68.6 | Low | 72.1 | Confident | 100 Ų | 100 | 72 Ų | 72 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.2 | 163.6 | -171.6 | -172.2 | 170.3 | 0 | 0 | 108.6 | K1021 M1022 | K1021-E1033 WeakPolarHBondContact CE-OE1 3.26Å; K1021-E1033 IonicContact NZ-OE1 2.99Å; K1021-E1033 PolarHBondContact NZ-OE1 3.39Å; M1022-E1033 WeakPolarHBondContact O-CA 3.44Å |
| 1034 | V | 75 | Confident | 72.5 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.1 | -178.6 | -161 | 0 | 0 | 0 | 0 | 109.2 | K1021 M1022 F1036 L1057 L1228 | K1021-V1034 WeakPolarHBondContact CA-O 3.37Å; M1022-V1034 HydrophobicContact CE-CB 4.4Å; M1022-V1034 HydrophobicContact CE-CG2 4.39Å; M1022-V1034 HydrophobicContact CG-CB 4.36Å; M1022-V1034 PolarHBondContact N-O 2.83Å; M1022-V1034 PolarHBondContact O-N 3.43Å; V1034-F1036 HydrophobicContact CG1-CD1 3.85Å; V1034-F1036 HydrophobicContact CG1-CE1 4.11Å; V1034-L1057 HydrophobicContact CB-CD1 4.49Å; V1034-L1057 HydrophobicContact CG1-CD1 3.96Å; V1034-L1057 HydrophobicContact CG1-CD2 4.27Å; V1034-L1057 HydrophobicContact CG2-CD1 4.28Å; V1034-L1228 HydrophobicContact CG1-CB 4.21Å; V1034-L1228 HydrophobicContact CG1-CD2 4.1Å |
| 1035 | D | 82.8 | Confident | 73.1 | Confident | 65 Ų | 65 | 66 Ų | 66 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 107.5 | -177.3 | -167 | -26.3 | 0 | 0 | 0 | 110.2 | V1020 K1021 Q1231 | V1020-D1035 CarbonylContact O-C 3.3Å; V1020-D1035 VanDerWaalsContact O-CA 3.29Å; V1020-D1035 WeakPolarHBondContact O-CA 3.42Å; K1021-D1035 VanDerWaalsContact CD-OD2 3.31Å; K1021-D1035 WeakPolarHBondContact CD-OD2 3.18Å; K1021-D1035 WeakPolarHBondContact CE-OD2 3.16Å; K1021-D1035 HydrophobicContact CG-CB 4.26Å; K1021-D1035 IonicContact NZ-OD2 3.82Å; K1021-D1035 PolarHBondContact NZ-OD2 2.87Å; D1035-Q1231 PolarHBondContact O-NE2 3.09Å |
| 1036 | F | 85.3 | Confident | 73.8 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 168.7 | -178.2 | 73 | -86.2 | 0 | 0 | 0 | 113.1 | V1020 V1034 V1038 L1057 L1061 F1205 L1221 | V1020-F1036 HydrophobicContact CB-CD1 4.02Å; V1020-F1036 HydrophobicContact CB-CE1 3.68Å; V1020-F1036 HydrophobicContact CB-CE2 4.4Å; V1020-F1036 HydrophobicContact CB-CZ 3.89Å; V1020-F1036 HydrophobicContact CG1-CD1 4.45Å; V1020-F1036 HydrophobicContact CG1-CE1 3.84Å; V1020-F1036 HydrophobicContact CG1-CZ 4.28Å; V1020-F1036 HydrophobicContact CG2-CE1 4.03Å; V1020-F1036 HydrophobicContact CG2-CE2 4.02Å; V1020-F1036 HydrophobicContact CG2-CZ 3.69Å; V1020-F1036 PolarHBondContact N-O 3.33Å; V1020-F1036 PolarHBondContact O-N 2.98Å; V1034-F1036 HydrophobicContact CG1-CD1 3.85Å; V1034-F1036 HydrophobicContact CG1-CE1 4.11Å; F1036-V1038 HydrophobicContact CD2-CG2 3.67Å; F1036-V1038 HydrophobicContact CE2-CG2 3.5Å; F1036-L1057 HydrophobicContact CE1-CD1 4.35Å; F1036-L1061 HydrophobicContact CE1-CD2 4.27Å; F1036-L1061 HydrophobicContact CZ-CD1 4.08Å; F1036-L1061 HydrophobicContact CZ-CD2 3.77Å; F1036-F1205 AromaticContact CE2-CE1 3.57Å; F1036-F1205 HydrophobicContact CE2-CE1 3.57Å; F1036-F1205 AromaticContact CE2-CZ 3.88Å; F1036-F1205 HydrophobicContact CE2-CZ 3.88Å; F1036-F1205 AromaticContact CZ-CE1 3.8Å; F1036-F1205 HydrophobicContact CZ-CE1 3.8Å; F1036-F1205 HydrophobicContact CZ-CZ 4.18Å; F1036-L1221 HydrophobicContact CB-CD2 4Å; F1036-L1221 HydrophobicContact CD1-CD1 4.26Å; F1036-L1221 HydrophobicContact CD2-CD1 4.26Å; F1036-L1221 HydrophobicContact CE1-CD1 4.42Å; F1036-L1221 HydrophobicContact CE2-CD1 4.44Å; F1036-L1221 HydrophobicContact CG-CD1 4.16Å; F1036-L1221 HydrophobicContact CG-CD2 4.34Å |
| 1037 | K | 85.3 | Confident | 74.5 | Confident | 148 Ų | 148 | 60 Ų | 60 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 148.5 | 179.5 | -62.4 | -175.9 | -180 | 178.2 | 0 | 111.5 | L1018 S1019 | L1018-K1037 CarbonylContact O-C 3.57Å; L1018-K1037 VanDerWaalsContact O-CA 3.3Å; L1018-K1037 WeakPolarHBondContact O-CA 3.33Å; S1019-K1037 VanDerWaalsContact OG-CE 3.29Å; S1019-K1037 WeakPolarHBondContact OG-CE 3.5Å |
| 1038 | V | 86 | Confident | 74.9 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.7 | -177.1 | -155.1 | 0 | 0 | 0 | 0 | 111.1 | Q1017 L1018 F1036 Q1042 I1044 L1203 F1205 | Q1017-V1038 WeakPolarHBondContact CA-O 3.48Å; L1018-V1038 HydrophobicContact CB-CB 4.42Å; L1018-V1038 PolarHBondContact N-O 2.96Å; L1018-V1038 PolarHBondContact O-N 3.48Å; F1036-V1038 HydrophobicContact CD2-CG2 3.67Å; F1036-V1038 HydrophobicContact CE2-CG2 3.5Å; V1038-Q1042 HydrophobicContact CG1-CB 3.96Å; V1038-I1044 HydrophobicContact CB-CD1 4.14Å; V1038-I1044 HydrophobicContact CG1-CD1 3.59Å; V1038-I1044 HydrophobicContact CG1-CG1 4.24Å; V1038-I1044 HydrophobicContact CG2-CD1 3.5Å; V1038-I1044 VanDerWaalsContact CG2-CD1 3.5Å; V1038-L1203 HydrophobicContact CG1-CD1 3.49Å; V1038-L1203 VanDerWaalsContact CG1-CD1 3.49Å; V1038-F1205 HydrophobicContact CG2-CE1 4.43Å; V1038-F1205 HydrophobicContact CG2-CZ 4.07Å |
| 1039 | R | 85.2 | Confident | 75.3 | Confident | 128 Ų | 128 | 50.4 Ų | 50.4 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135 | 173.3 | -178.9 | 174.7 | 177.9 | -172.6 | -1.8 | 112 | D1015 S1016 Q1017 Q1042 | D1015-R1039 IonicContact OD1-CZ 3.58Å; D1015-R1039 IonicContact OD1-NH2 3.93Å; D1015-R1039 PolarHBondContact OD1-NH2 3.45Å; S1016-R1039 CarbonylContact O-C 3.55Å; S1016-R1039 VanDerWaalsContact O-CA 3.3Å; S1016-R1039 WeakPolarHBondContact O-CA 3.25Å; Q1017-R1039 HydrophobicContact CG-CB 4.05Å; Q1017-R1039 HydrophobicContact CG-CG 3.79Å; R1039-Q1042 VanDerWaalsContact O-CG 3.28Å; R1039-Q1042 WeakPolarHBondContact O-CG 3.36Å; R1039-Q1042 PolarHBondContact O-OE1 3.22Å |
| 1040 | G | 86.3 | Confident | 75.5 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 63.1 | -149.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1012 A1014 S1016 Q1042 | W1012-G1040 WeakPolarHBondContact CZ2-O 3.19Å; W1012-G1040 PolarHBondContact NE1-O 3.43Å; A1014-G1040 WeakPolarHBondContact O-CA 3.45Å; S1016-G1040 PolarHBondContact O-N 3.37Å; G1040-Q1042 VanDerWaalsContact C-N 3.26Å; G1040-Q1042 PolarHBondContact O-N 3.01Å; G1040-Q1042 VanDerWaalsContact O-N 3.15Å |
| 1041 | Y | 87.3 | Confident | 76.2 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -88.7 | 56.4 | -178.6 | -54.7 | -45.7 | 0 | 0 | 0 | 111.6 | W1012 A1014 K1172 H1202 | W1012-Y1041 AromaticContact CD1-CE1 3.83Å; A1014-Y1041 HydrophobicContact CB-CD2 4.24Å; A1014-Y1041 HydrophobicContact CB-CE2 3.94Å; Y1041-K1172 HydrophobicContact CE1-CB 4.43Å; Y1041-H1202 WeakPolarHBondContact CA-O 3.35Å; Y1041-H1202 WeakPolarHBondContact CB-O 3.12Å |
| 1042 | Q | 86.5 | Confident | 77 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | trans | -77.5 | 142.7 | 176.3 | -85.5 | 179.4 | -50 | 0 | 0 | 111.7 | V1038 R1039 G1040 V1204 | V1038-Q1042 HydrophobicContact CG1-CB 3.96Å; R1039-Q1042 VanDerWaalsContact O-CG 3.28Å; R1039-Q1042 WeakPolarHBondContact O-CG 3.36Å; R1039-Q1042 PolarHBondContact O-OE1 3.22Å; G1040-Q1042 VanDerWaalsContact C-N 3.26Å; G1040-Q1042 PolarHBondContact O-N 3.01Å; G1040-Q1042 VanDerWaalsContact O-N 3.15Å; Q1042-V1204 PolarHBondContact O-N 2.97Å | ||
| 1043 | K | 88.8 | Confident | 77.6 | Confident | 27 Ų | 27 | 41.4 Ų | 41.4 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 99 | 173.9 | -58.5 | 169.9 | -176.1 | -174.9 | 0 | 109.1 | M1199 E1216 M1217 D1218 Y1219 | K1043-M1199 HydrophobicContact CB-CE 4.43Å; K1043-M1199 HydrophobicContact CD-CB 4.26Å; K1043-M1199 HydrophobicContact CD-CE 4.11Å; K1043-M1199 WeakPolarHBondContact CE-O 3.31Å; K1043-M1199 HydrophobicContact CG-CB 4.46Å; K1043-M1199 HydrophobicContact CG-CE 4.23Å; K1043-E1216 WeakPolarHBondContact CD-O 3.34Å; K1043-M1217 HydrophobicContact CB-SD 4.09Å; K1043-M1217 CarbonylContact O-C 3.56Å; K1043-D1218 WeakPolarHBondContact CB-OD2 3.47Å; K1043-D1218 PolarHBondContact N-OD2 2.94Å; K1043-D1218 PolarHBondContact O-N 3.4Å; K1043-Y1219 PolarHBondContact O-N 3.28Å; K1043-Y1219 VanDerWaalsContact O-N 3.1Å |
| 1044 | I | 88.2 | Confident | 78 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 109.4 | 178.7 | -60.3 | -159.7 | 0 | 0 | 0 | 110.6 | V1038 V1204 F1205 F1206 Y1219 L1221 | V1038-I1044 HydrophobicContact CB-CD1 4.14Å; V1038-I1044 HydrophobicContact CG1-CD1 3.59Å; V1038-I1044 HydrophobicContact CG1-CG1 4.24Å; V1038-I1044 HydrophobicContact CG2-CD1 3.5Å; V1038-I1044 VanDerWaalsContact CG2-CD1 3.5Å; I1044-V1204 PolarHBondContact N-O 3.38Å; I1044-F1205 HydrophobicContact CB-CD1 4.03Å; I1044-F1205 HydrophobicContact CB-CE1 4.39Å; I1044-F1205 HydrophobicContact CD1-CE1 4.04Å; I1044-F1205 HydrophobicContact CG2-CD1 4Å; I1044-F1205 HydrophobicContact CG2-CE1 4.33Å; I1044-F1205 CarbonylContact O-C 3.58Å; I1044-F1205 WeakPolarHBondContact O-CA 3.42Å; I1044-F1206 PolarHBondContact O-N 2.91Å; I1044-Y1219 CarbonylContact C-O 3.51Å; I1044-Y1219 VanDerWaalsContact CA-O 3.25Å; I1044-Y1219 WeakPolarHBondContact CA-O 3.08Å; I1044-L1221 HydrophobicContact CG2-CD1 3.62Å; I1044-L1221 HydrophobicContact CG2-CG 3.68Å |
| 1045 | G | 84.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1206 Y1219 L1220 L1221 | G1045-F1206 CarbonylContact C-O 3.58Å; G1045-F1206 VanDerWaalsContact CA-O 3.25Å; G1045-F1206 WeakPolarHBondContact CA-O 3.18Å; G1045-Y1219 PolarHBondContact N-O 3.44Å; G1045-L1220 CarbonylContact O-C 3.11Å; G1045-L1220 WeakPolarHBondContact O-CA 3.39Å; G1045-L1220 WeakPolarHBondContact O-CD2 3.35Å; G1045-L1221 PolarHBondContact O-N 2.84Å |
| 1046 | I | 84.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 114.7 | 174.5 | -54.7 | 169 | 0 | 0 | 0 | 108.2 | K1054 L1057 I1058 F1205 F1206 A1207 T1208 L1221 M1223 | I1046-K1054 HydrophobicContact CG2-CB 4.17Å; I1046-K1054 HydrophobicContact CG2-CD 4.23Å; I1046-K1054 HydrophobicContact CG2-CG 4Å; I1046-K1054 WeakPolarHBondContact O-CD 3.4Å; I1046-L1057 HydrophobicContact CD1-CD2 4.02Å; I1046-L1057 HydrophobicContact CD1-CG 4.27Å; I1046-L1057 HydrophobicContact CG1-CD2 4.43Å; I1046-L1057 HydrophobicContact CG2-CD2 4.2Å; I1046-I1058 HydrophobicContact CD1-CD1 4.38Å; I1046-I1058 HydrophobicContact CD1-CG1 4Å; I1046-F1205 HydrophobicContact CD1-CB 4.3Å; I1046-F1205 HydrophobicContact CD1-CD1 4.35Å; I1046-F1206 PolarHBondContact N-O 3.47Å; I1046-A1207 HydrophobicContact CB-CB 3.84Å; I1046-A1207 HydrophobicContact CD1-CB 4.47Å; I1046-A1207 HydrophobicContact CG2-CB 4.4Å; I1046-A1207 WeakPolarHBondContact O-CA 3.36Å; I1046-T1208 PolarHBondContact O-N 2.91Å; I1046-L1221 CarbonylContact C-O 3.57Å; I1046-L1221 WeakPolarHBondContact CA-O 3.27Å; I1046-L1221 HydrophobicContact CG1-CB 4.35Å; I1046-L1221 HydrophobicContact CG1-CD1 4.34Å; I1046-M1223 HydrophobicContact CG2-CG 4.22Å; I1046-M1223 HydrophobicContact CG2-SD 4.26Å |
| 1047 | I | 74.7 | Confident | 77.5 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 150 | -179.7 | -58.1 | 178.9 | 0 | 0 | 0 | 108.6 | L1214 L1220 L1221 V1222 M1223 F1244 | I1047-L1214 HydrophobicContact CD1-CD1 3.87Å; I1047-L1214 HydrophobicContact CD1-CD2 3.54Å; I1047-L1214 HydrophobicContact CD1-CG 4.38Å; I1047-L1214 HydrophobicContact CG1-CD2 3.8Å; I1047-L1220 HydrophobicContact CD1-CB 4.14Å; I1047-L1220 HydrophobicContact CD1-CD1 3.99Å; I1047-L1220 HydrophobicContact CD1-CD2 4.15Å; I1047-L1220 HydrophobicContact CD1-CG 4.32Å; I1047-L1220 HydrophobicContact CG1-CD2 4.42Å; I1047-L1221 PolarHBondContact N-O 2.87Å; I1047-V1222 HydrophobicContact CB-CB 4.29Å; I1047-V1222 HydrophobicContact CB-CG2 3.69Å; I1047-V1222 HydrophobicContact CD1-CG2 3.88Å; I1047-V1222 HydrophobicContact CG1-CG2 4.3Å; I1047-V1222 HydrophobicContact CG2-CB 4.48Å; I1047-V1222 HydrophobicContact CG2-CG1 4.41Å; I1047-V1222 HydrophobicContact CG2-CG2 3.81Å; I1047-M1223 PolarHBondContact O-N 3.45Å; I1047-F1244 HydrophobicContact CB-CD2 4.31Å; I1047-F1244 HydrophobicContact CB-CE2 3.81Å; I1047-F1244 HydrophobicContact CB-CZ 4.29Å; I1047-F1244 HydrophobicContact CD1-CZ 4.43Å; I1047-F1244 HydrophobicContact CG1-CE2 3.78Å; I1047-F1244 HydrophobicContact CG1-CZ 3.85Å; I1047-F1244 HydrophobicContact CG2-CD2 3.79Å; I1047-F1244 HydrophobicContact CG2-CE1 4.39Å; I1047-F1244 HydrophobicContact CG2-CE2 3.64Å; I1047-F1244 HydrophobicContact CG2-CG 4.34Å; I1047-F1244 HydrophobicContact CG2-CZ 3.99Å |
| 1048 | G | 67.5 | Low | 77.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | 155.1 | 141.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1052 K1054 M1223 F1244 | G1048-S1052 VanDerWaalsContact CA-OG 3.27Å; G1048-S1052 WeakPolarHBondContact CA-OG 3.49Å; G1048-K1054 WeakPolarHBondContact O-CD 3.26Å; G1048-K1054 PolarHBondContact O-NZ 2.71Å; G1048-M1223 WeakPolarHBondContact CA-O 3.46Å; G1048-F1244 WeakPolarHBondContact O-CA 3.3Å; G1048-F1244 PolarHBondContact O-N 3.39Å; G1048-F1244 VanDerWaalsContact O-N 3.09Å | ||
| 1049 | M | 60.3 | Low | 77 | Confident | 97 Ų | 97 | 31.4 Ų | 31.4 | 48% | 0.478 | 18% | 0.175 | S | C | . | . | trans | -53.6 | 158.1 | -177.7 | -104 | 152.3 | -154.4 | 0 | 0 | 111.2 | G1051 S1052 A1243 F1244 | M1049-G1051 PolarHBondContact O-N 3.36Å; M1049-S1052 PolarHBondContact N-OG 3.49Å; M1049-S1052 WeakPolarHBondContact O-CB 3.39Å; M1049-S1052 PolarHBondContact O-N 2.88Å; M1049-S1052 PolarHBondContact O-OG 3.48Å; M1049-A1243 HydrophobicContact CB-CB 3.9Å; M1049-A1243 HydrophobicContact CE-CB 3.88Å; M1049-A1243 HydrophobicContact CG-CB 3.65Å; M1049-A1243 VanDerWaalsContact N-CB 3.28Å; M1049-A1243 HydrophobicContact SD-CB 3.91Å; M1049-F1244 VanDerWaalsContact CA-N 3.32Å; M1049-F1244 WeakPolarHBondContact CA-O 3.42Å | ||
| 1050 | S | 53.8 | Low | 76.9 | Confident | 62 Ų | 62 | 25.5 Ų | 25.5 | 43% | 0.434 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 134.5 | 167.1 | -160.9 | 0 | 0 | 0 | 0 | 109 | S1052 T1245 | S1050-S1052 VanDerWaalsContact C-N 3.33Å; S1050-S1052 PolarHBondContact O-N 3.35Å; S1050-T1245 VanDerWaalsContact CB-OG1 3.3Å; S1050-T1245 WeakPolarHBondContact CB-OG1 3.43Å; S1050-T1245 PolarHBondContact N-OG1 2.95Å |
| 1051 | G | 60.5 | Low | 76.9 | Confident | 63 Ų | 63 | 25.4 Ų | 25.4 | 65% | 0.649 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -5.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | M1049 G1053 | M1049-G1051 PolarHBondContact O-N 3.36Å; G1051-G1053 PolarHBondContact O-N 3.24Å |
| 1052 | S | 67.5 | Low | 76.5 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -68.1 | -12.2 | 176.5 | 62.8 | 0 | 0 | 0 | 0 | 115.2 | G1048 M1049 S1050 R1226 | G1048-S1052 VanDerWaalsContact CA-OG 3.27Å; G1048-S1052 WeakPolarHBondContact CA-OG 3.49Å; M1049-S1052 PolarHBondContact N-OG 3.49Å; M1049-S1052 WeakPolarHBondContact O-CB 3.39Å; M1049-S1052 PolarHBondContact O-N 2.88Å; M1049-S1052 PolarHBondContact O-OG 3.48Å; S1050-S1052 VanDerWaalsContact C-N 3.33Å; S1050-S1052 PolarHBondContact O-N 3.35Å; S1052-R1226 WeakPolarHBondContact O-CA 3.11Å; S1052-R1226 PolarHBondContact O-N 3.04Å; S1052-R1226 VanDerWaalsContact O-N 3.12Å |
| 1053 | G | 70.1 | Confident | 76.1 | Confident | 9 Ų | 9 | 19.3 Ų | 19.3 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 105.7 | 5.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G1051 S1055 T1056 L1057 M1223 | G1051-G1053 PolarHBondContact O-N 3.24Å; G1053-S1055 PolarHBondContact O-N 3Å; G1053-T1056 WeakPolarHBondContact O-CA 3.43Å; G1053-T1056 VanDerWaalsContact O-CB 3.23Å; G1053-T1056 WeakPolarHBondContact O-CB 3.13Å; G1053-T1056 PolarHBondContact O-N 3.38Å; G1053-T1056 PolarHBondContact O-OG1 3.37Å; G1053-L1057 PolarHBondContact O-N 3.44Å; G1053-M1223 VanDerWaalsContact C-SD 3.52Å; G1053-M1223 WeakPolarHBondContact O-CE 3.37Å |
| 1054 | K | 77.7 | Confident | 75.4 | Confident | 7 Ų | 7 | 19.3 Ų | 19.3 | 3% | 0.03 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -48.6 | -56.1 | 179.3 | -59.5 | -161.4 | -55.7 | -60.2 | 0 | 113.3 | I1046 G1048 T1056 L1057 I1058 E1178 A1207 T1208 | I1046-K1054 HydrophobicContact CG2-CB 4.17Å; I1046-K1054 HydrophobicContact CG2-CD 4.23Å; I1046-K1054 HydrophobicContact CG2-CG 4Å; I1046-K1054 WeakPolarHBondContact O-CD 3.4Å; G1048-K1054 WeakPolarHBondContact O-CD 3.26Å; G1048-K1054 PolarHBondContact O-NZ 2.71Å; K1054-T1056 PolarHBondContact O-N 3.48Å; K1054-L1057 WeakPolarHBondContact O-CB 3.41Å; K1054-L1057 PolarHBondContact O-N 3Å; K1054-L1057 VanDerWaalsContact O-N 3.08Å; K1054-I1058 PolarHBondContact O-N 2.87Å; K1054-E1178 WeakPolarHBondContact CE-OE1 3.36Å; K1054-E1178 IonicContact NZ-OE1 2.8Å; K1054-E1178 PolarHBondContact NZ-OE1 2.87Å; K1054-A1207 HydrophobicContact CB-CB 4.26Å; K1054-A1207 HydrophobicContact CD-CB 4.15Å; K1054-T1208 WeakPolarHBondContact CE-O 3.25Å |
| 1055 | S | 73.3 | Confident | 74.7 | Confident | 42 Ų | 42 | 20.3 Ų | 20.3 | 29% | 0.294 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.1 | -25.8 | 179.3 | -44.4 | 0 | 0 | 0 | 0 | 112.3 | G1053 N1059 D1177 | G1053-S1055 PolarHBondContact O-N 3Å; S1055-N1059 VanDerWaalsContact O-CB 3.26Å; S1055-N1059 WeakPolarHBondContact O-CB 3.46Å; S1055-N1059 PolarHBondContact O-N 3.07Å; S1055-N1059 PolarHBondContact O-ND2 2.93Å; S1055-D1177 WeakPolarHBondContact CB-OD2 3.44Å; S1055-D1177 PolarHBondContact OG-OD2 3.05Å |
| 1056 | T | 76.2 | Confident | 74.2 | Confident | 23 Ų | 23 | 23.7 Ų | 23.7 | 14% | 0.141 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.1 | -43.7 | 171 | -40.1 | 0 | 0 | 0 | 0 | 111.4 | Y1024 Y1026 G1053 K1054 I1058 N1059 L1060 L1065 | Y1024-T1056 HydrophobicContact CD1-CG2 4.2Å; Y1024-T1056 HydrophobicContact CE1-CG2 4.38Å; Y1026-T1056 WeakPolarHBondContact OH-CB 3.41Å; Y1026-T1056 WeakPolarHBondContact OH-CG2 3.4Å; Y1026-T1056 PolarHBondContact OH-OG1 3.07Å; G1053-T1056 WeakPolarHBondContact O-CA 3.43Å; G1053-T1056 VanDerWaalsContact O-CB 3.23Å; G1053-T1056 WeakPolarHBondContact O-CB 3.13Å; G1053-T1056 PolarHBondContact O-N 3.38Å; G1053-T1056 PolarHBondContact O-OG1 3.37Å; K1054-T1056 PolarHBondContact O-N 3.48Å; T1056-I1058 VanDerWaalsContact C-N 3.33Å; T1056-N1059 PolarHBondContact O-N 2.62Å; T1056-L1060 HydrophobicContact CG2-CD1 4.16Å; T1056-L1060 WeakPolarHBondContact O-CB 3.39Å; T1056-L1060 WeakPolarHBondContact O-CD1 3.36Å; T1056-L1060 VanDerWaalsContact O-CG 3.31Å; T1056-L1060 WeakPolarHBondContact O-CG 3.35Å; T1056-L1060 PolarHBondContact O-N 2.77Å; T1056-L1065 HydrophobicContact CG2-CD1 3.62Å |
| 1057 | L | 82.7 | Confident | 73.8 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 174 | 172.3 | 56.4 | 0 | 0 | 0 | 110.6 | M1022 V1034 F1036 I1046 G1053 K1054 L1060 L1061 L1221 M1223 | M1022-L1057 HydrophobicContact CE-CD1 3.37Å; V1034-L1057 HydrophobicContact CB-CD1 4.49Å; V1034-L1057 HydrophobicContact CG1-CD1 3.96Å; V1034-L1057 HydrophobicContact CG1-CD2 4.27Å; V1034-L1057 HydrophobicContact CG2-CD1 4.28Å; F1036-L1057 HydrophobicContact CE1-CD1 4.35Å; I1046-L1057 HydrophobicContact CD1-CD2 4.02Å; I1046-L1057 HydrophobicContact CD1-CG 4.27Å; I1046-L1057 HydrophobicContact CG1-CD2 4.43Å; I1046-L1057 HydrophobicContact CG2-CD2 4.2Å; G1053-L1057 PolarHBondContact O-N 3.44Å; K1054-L1057 WeakPolarHBondContact O-CB 3.41Å; K1054-L1057 PolarHBondContact O-N 3Å; K1054-L1057 VanDerWaalsContact O-N 3.08Å; L1057-L1060 PolarHBondContact O-N 2.71Å; L1057-L1061 HydrophobicContact CD1-CD1 3.76Å; L1057-L1061 HydrophobicContact CD1-CG 3.9Å; L1057-L1061 HydrophobicContact CG-CD1 3.95Å; L1057-L1061 HydrophobicContact CG-CG 4.49Å; L1057-L1061 WeakPolarHBondContact O-CB 3.43Å; L1057-L1061 VanDerWaalsContact O-CG 3.25Å; L1057-L1061 WeakPolarHBondContact O-CG 3.31Å; L1057-L1061 PolarHBondContact O-N 2.87Å; L1057-L1221 HydrophobicContact CD2-CD1 4.39Å; L1057-M1223 HydrophobicContact CB-CE 4.2Å; L1057-M1223 HydrophobicContact CB-SD 3.55Å; L1057-M1223 VanDerWaalsContact CB-SD 3.55Å; L1057-M1223 HydrophobicContact CD2-CG 4.37Å; L1057-M1223 HydrophobicContact CD2-SD 3.65Å; L1057-M1223 HydrophobicContact CG-SD 4.25Å |
| 1058 | I | 83.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 172.5 | -80.6 | 179 | 0 | 0 | 0 | 111.4 | I1046 K1054 T1056 L1060 L1061 S1062 Y1093 L1175 F1176 D1177 A1207 | I1046-I1058 HydrophobicContact CD1-CD1 4.38Å; I1046-I1058 HydrophobicContact CD1-CG1 4Å; K1054-I1058 PolarHBondContact O-N 2.87Å; T1056-I1058 VanDerWaalsContact C-N 3.33Å; I1058-L1060 VanDerWaalsContact C-N 3.3Å; I1058-L1060 PolarHBondContact O-N 2.74Å; I1058-L1061 CarbonylContact O-C 3.52Å; I1058-L1061 PolarHBondContact O-N 3.27Å; I1058-L1061 VanDerWaalsContact O-N 3.15Å; I1058-S1062 WeakPolarHBondContact O-CB 3.39Å; I1058-S1062 PolarHBondContact O-N 3.18Å; I1058-S1062 PolarHBondContact O-OG 3.22Å; I1058-Y1093 HydrophobicContact CG2-CD2 4.43Å; I1058-Y1093 HydrophobicContact CG2-CE2 3.62Å; I1058-L1175 HydrophobicContact CG2-CD1 4.26Å; I1058-F1176 WeakPolarHBondContact CD1-O 2.93Å; I1058-D1177 HydrophobicContact CD1-CB 3.64Å; I1058-A1207 HydrophobicContact CD1-CB 3.5Å |
| 1059 | N | 77.9 | Confident | 74.3 | Confident | 45 Ų | 45 | 31.3 Ų | 31.3 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -30.1 | 177.7 | -73.6 | -20.2 | 0 | 0 | 0 | 113.7 | S1055 T1056 S1062 G1063 F1064 L1065 | S1055-N1059 VanDerWaalsContact O-CB 3.26Å; S1055-N1059 WeakPolarHBondContact O-CB 3.46Å; S1055-N1059 PolarHBondContact O-N 3.07Å; S1055-N1059 PolarHBondContact O-ND2 2.93Å; T1056-N1059 PolarHBondContact O-N 2.62Å; N1059-S1062 WeakPolarHBondContact CA-OG 3.07Å; N1059-S1062 PolarHBondContact O-OG 3Å; N1059-G1063 PolarHBondContact O-N 2.86Å; N1059-F1064 HydrophobicContact CB-CB 4.22Å; N1059-F1064 PolarHBondContact O-N 3.03Å; N1059-L1065 HydrophobicContact CB-CD1 3.76Å; N1059-L1065 HydrophobicContact CB-CG 3.94Å; N1059-L1065 PolarHBondContact O-N 3.32Å |
| 1060 | L | 83.4 | Confident | 75.2 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.4 | -42.3 | 171.8 | -75 | 159.8 | 0 | 0 | 0 | 111.3 | M1022 Y1024 T1056 L1057 I1058 S1062 L1065 P1067 F1082 | M1022-L1060 HydrophobicContact CE-CB 3.56Å; M1022-L1060 HydrophobicContact CE-CD1 4.01Å; M1022-L1060 HydrophobicContact CE-CG 4.35Å; M1022-L1060 HydrophobicContact SD-CB 4.14Å; Y1024-L1060 HydrophobicContact CD2-CD2 4.28Å; Y1024-L1060 HydrophobicContact CG-CD1 4.4Å; Y1024-L1060 HydrophobicContact CG-CD2 4.22Å; T1056-L1060 HydrophobicContact CG2-CD1 4.16Å; T1056-L1060 WeakPolarHBondContact O-CB 3.39Å; T1056-L1060 WeakPolarHBondContact O-CD1 3.36Å; T1056-L1060 VanDerWaalsContact O-CG 3.31Å; T1056-L1060 WeakPolarHBondContact O-CG 3.35Å; T1056-L1060 PolarHBondContact O-N 2.77Å; L1057-L1060 PolarHBondContact O-N 2.71Å; I1058-L1060 VanDerWaalsContact C-N 3.3Å; I1058-L1060 PolarHBondContact O-N 2.74Å; L1060-S1062 VanDerWaalsContact C-N 3.28Å; L1060-S1062 PolarHBondContact O-N 3.25Å; L1060-L1065 HydrophobicContact CD2-CB 3.56Å; L1060-L1065 HydrophobicContact CG-CB 3.82Å; L1060-L1065 HydrophobicContact CG-CD1 4.22Å; L1060-P1067 HydrophobicContact CD2-CB 4.22Å; L1060-F1082 WeakPolarHBondContact O-CB 3.35Å; L1060-F1082 VanDerWaalsContact O-CD2 3.24Å; L1060-F1082 WeakPolarHBondContact O-CD2 3.3Å |
| 1061 | L | 85.6 | Confident | 76.5 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.8 | -20.6 | 176.7 | -69.5 | 172.1 | 0 | 0 | 0 | 113.4 | V1020 M1022 F1036 L1057 I1058 F1082 W1087 F1205 | V1020-L1061 HydrophobicContact CG1-CD2 4.39Å; V1020-L1061 HydrophobicContact CG2-CD2 4.42Å; M1022-L1061 HydrophobicContact CE-CD2 4.48Å; F1036-L1061 HydrophobicContact CE1-CD2 4.27Å; F1036-L1061 HydrophobicContact CZ-CD1 4.08Å; F1036-L1061 HydrophobicContact CZ-CD2 3.77Å; L1057-L1061 HydrophobicContact CD1-CD1 3.76Å; L1057-L1061 HydrophobicContact CD1-CG 3.9Å; L1057-L1061 HydrophobicContact CG-CD1 3.95Å; L1057-L1061 HydrophobicContact CG-CG 4.49Å; L1057-L1061 WeakPolarHBondContact O-CB 3.43Å; L1057-L1061 VanDerWaalsContact O-CG 3.25Å; L1057-L1061 WeakPolarHBondContact O-CG 3.31Å; L1057-L1061 PolarHBondContact O-N 2.87Å; I1058-L1061 CarbonylContact O-C 3.52Å; I1058-L1061 PolarHBondContact O-N 3.27Å; I1058-L1061 VanDerWaalsContact O-N 3.15Å; L1061-F1082 HydrophobicContact CD2-CD2 4.33Å; L1061-F1082 HydrophobicContact CD2-CE2 3.69Å; L1061-F1082 HydrophobicContact CD2-CZ 3.85Å; L1061-W1087 PolarHBondContact O-NE1 3.42Å; L1061-F1205 HydrophobicContact CD1-CD1 4.06Å; L1061-F1205 HydrophobicContact CD1-CE1 3.98Å; L1061-F1205 HydrophobicContact CD1-CZ 4.36Å |
| 1062 | S | 80.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -95.3 | -13.9 | -179.2 | 81 | 0 | 0 | 0 | 0 | 113.1 | I1058 N1059 L1060 Q1088 F1297 | I1058-S1062 WeakPolarHBondContact O-CB 3.39Å; I1058-S1062 PolarHBondContact O-N 3.18Å; I1058-S1062 PolarHBondContact O-OG 3.22Å; N1059-S1062 WeakPolarHBondContact CA-OG 3.07Å; N1059-S1062 PolarHBondContact O-OG 3Å; L1060-S1062 VanDerWaalsContact C-N 3.28Å; L1060-S1062 PolarHBondContact O-N 3.25Å; S1062-Q1088 PolarHBondContact O-NE2 3.33Å; S1062-F1297 VanDerWaalsContact CB-CE1 3.45Å; S1062-F1297 VanDerWaalsContact CB-CZ 3.47Å; S1062-F1297 WeakPolarHBondContact OG-CZ 3.42Å |
| 1063 | G | 77.9 | Confident | 78.5 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 4.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N1059 L1065 | N1059-G1063 PolarHBondContact O-N 2.86Å; G1063-L1065 VanDerWaalsContact C-N 3.3Å |
| 1064 | F | 72.2 | Confident | 79.1 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -74.1 | -19.4 | 173.1 | -69.8 | -14.6 | 0 | 0 | 0 | 114.1 | P788 Q789 N1059 I1296 F1297 | P788-F1064 HydrophobicContact CG-CD2 4.37Å; Q789-F1064 PolarHBondContact NE2-O 3.24Å; N1059-F1064 HydrophobicContact CB-CB 4.22Å; N1059-F1064 PolarHBondContact O-N 3.03Å; F1064-I1296 HydrophobicContact CE1-CB 3.94Å; F1064-I1296 HydrophobicContact CE1-CD1 4.04Å; F1064-I1296 HydrophobicContact CE1-CG2 3.79Å; F1064-F1297 HydrophobicContact CD1-CZ 4.22Å; F1064-F1297 HydrophobicContact CD2-CE2 4.38Å; F1064-F1297 AromaticContact CD2-CZ 3.95Å; F1064-F1297 HydrophobicContact CD2-CZ 3.95Å; F1064-F1297 AromaticContact CE1-CE1 3.94Å; F1064-F1297 HydrophobicContact CE1-CE1 3.94Å; F1064-F1297 HydrophobicContact CE1-CE2 4.02Å; F1064-F1297 AromaticContact CE1-CZ 3.6Å; F1064-F1297 HydrophobicContact CE1-CZ 3.6Å; F1064-F1297 HydrophobicContact CE2-CD2 4.45Å; F1064-F1297 HydrophobicContact CE2-CE1 4.38Å; F1064-F1297 AromaticContact CE2-CE2 3.34Å; F1064-F1297 HydrophobicContact CE2-CE2 3.34Å; F1064-F1297 AromaticContact CE2-CZ 3.29Å; F1064-F1297 HydrophobicContact CE2-CZ 3.29Å; F1064-F1297 HydrophobicContact CG-CZ 4.37Å; F1064-F1297 AromaticContact CZ-CD2 3.88Å; F1064-F1297 HydrophobicContact CZ-CD2 3.88Å; F1064-F1297 AromaticContact CZ-CE1 3.85Å; F1064-F1297 HydrophobicContact CZ-CE1 3.85Å; F1064-F1297 AromaticContact CZ-CE2 3.1Å; F1064-F1297 HydrophobicContact CZ-CE2 3.1Å; F1064-F1297 AromaticContact CZ-CZ 3.08Å; F1064-F1297 HydrophobicContact CZ-CZ 3.08Å |
| 1065 | L | 74 | Confident | 79.2 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -123.2 | 135.5 | 172.3 | -65.4 | 175.4 | 0 | 0 | 0 | 109.1 | Y1024 T1056 N1059 L1060 G1063 | Y1024-L1065 HydrophobicContact CE1-CD1 4.28Å; Y1024-L1065 HydrophobicContact CE2-CD2 4.43Å; T1056-L1065 HydrophobicContact CG2-CD1 3.62Å; N1059-L1065 HydrophobicContact CB-CD1 3.76Å; N1059-L1065 HydrophobicContact CB-CG 3.94Å; N1059-L1065 PolarHBondContact O-N 3.32Å; L1060-L1065 HydrophobicContact CD2-CB 3.56Å; L1060-L1065 HydrophobicContact CG-CB 3.82Å; L1060-L1065 HydrophobicContact CG-CD1 4.22Å; G1063-L1065 VanDerWaalsContact C-N 3.3Å |
| 1066 | R | 73.8 | Confident | 79.2 | Confident | 71 Ų | 71 | 43 Ų | 43 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | trans | -89.2 | 133.2 | 165.2 | -76.2 | -178.8 | 157.7 | -123.7 | -13.6 | 109.1 | D1004 Y1024 A1081 D1083 | D1004-R1066 IonicContact OD2-CZ 2.68Å; D1004-R1066 IonicContact OD2-NH1 3.75Å; D1004-R1066 PolarHBondContact OD2-NH1 3.39Å; D1004-R1066 IonicContact OD2-NH2 2.7Å; D1004-R1066 PolarHBondContact OD2-NH2 3.5Å; Y1024-R1066 WeakPolarHBondContact CD2-O 3.44Å; R1066-A1081 HydrophobicContact CG-CB 4.06Å; R1066-D1083 IonicContact CZ-OD2 2.64Å; R1066-D1083 IonicContact NE-OD2 2.63Å; R1066-D1083 PolarHBondContact NE-OD2 3.03Å; R1066-D1083 IonicContact NH2-OD1 2.59Å; R1066-D1083 IonicContact NH2-OD2 3.83Å; R1066-D1083 PolarHBondContact NH2-OD2 2.85Å | ||
| 1067 | P | 77.6 | Confident | 79.4 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | trans | -71.3 | 148.8 | 167.8 | 30.8 | -34.5 | 0 | 0 | 0 | 111.2 | M1022 Q1023 L1060 A1069 | M1022-P1067 HydrophobicContact CB-CB 3.93Å; M1022-P1067 HydrophobicContact CB-CG 4.27Å; Q1023-P1067 CarbonylContact O-C 3.6Å; Q1023-P1067 VanDerWaalsContact O-CA 3.32Å; Q1023-P1067 WeakPolarHBondContact O-CA 3.32Å; Q1023-P1067 WeakPolarHBondContact O-CB 3.3Å; L1060-P1067 HydrophobicContact CD2-CB 4.22Å; P1067-A1069 VanDerWaalsContact C-N 3.29Å; P1067-A1069 PolarHBondContact O-N 3.27Å | ||
| 1068 | D | 76.5 | Confident | 79.3 | Confident | 100 Ų | 100 | 48.8 Ų | 48.8 | 54% | 0.535 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69 | -29.9 | 174.5 | -59.9 | -49 | 0 | 0 | 0 | 112.1 | Q1023 N1025 | Q1023-D1068 PolarHBondContact O-N 3.19Å; N1025-D1068 WeakPolarHBondContact CB-OD2 3.45Å; N1025-D1068 PolarHBondContact N-OD2 2.71Å; N1025-D1068 PolarHBondContact ND2-OD2 2.79Å |
| 1069 | A | 75 | Confident | 79.1 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 137.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M1022 Q1023 P1067 | M1022-A1069 CarbonylContact C-O 3.5Å; M1022-A1069 WeakPolarHBondContact CA-O 3.45Å; Q1023-A1069 HydrophobicContact CB-CB 4.43Å; Q1023-A1069 PolarHBondContact N-O 2.94Å; Q1023-A1069 PolarHBondContact O-N 3.17Å; P1067-A1069 VanDerWaalsContact C-N 3.29Å; P1067-A1069 PolarHBondContact O-N 3.27Å |
| 1070 | S | 79.2 | Confident | 79 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 155.1 | -174.6 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | K1021 T1080 | K1021-S1070 CarbonylContact O-C 3.58Å; K1021-S1070 WeakPolarHBondContact O-CA 3.21Å; S1070-T1080 WeakPolarHBondContact CB-O 3.19Å; S1070-T1080 PolarHBondContact OG-O 2.9Å |
| 1071 | Q | 82.6 | Confident | 78.7 | Confident | 146 Ų | 146 | 50.7 Ų | 50.7 | 68% | 0.682 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 75.6 | 164 | -63.9 | -173.4 | 8.8 | 0 | 0 | 107.6 | K1021 | K1021-Q1071 HydrophobicContact CB-CB 4.44Å; K1021-Q1071 PolarHBondContact N-O 2.96Å; K1021-Q1071 PolarHBondContact O-N 2.99Å |
| 1072 | I | 82.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.7 | 176.6 | -58.9 | 154.7 | 0 | 0 | 0 | 108.3 | L1018 S1019 V1020 A1078 L1079 F1082 | L1018-I1072 HydrophobicContact CD1-CG2 4.42Å; S1019-I1072 CarbonylContact O-C 3.47Å; S1019-I1072 WeakPolarHBondContact O-CA 3.15Å; V1020-I1072 HydrophobicContact CG1-CG1 4.38Å; I1072-A1078 WeakPolarHBondContact O-CA 3.33Å; I1072-L1079 HydrophobicContact CB-CB 3.95Å; I1072-L1079 HydrophobicContact CG2-CB 3.87Å; I1072-L1079 HydrophobicContact CG2-CD1 4.12Å; I1072-L1079 HydrophobicContact CG2-CG 4.44Å; I1072-L1079 PolarHBondContact O-N 3.16Å; I1072-F1082 HydrophobicContact CB-CZ 4.46Å; I1072-F1082 HydrophobicContact CD1-CD2 3.73Å; I1072-F1082 HydrophobicContact CD1-CE2 3.47Å; I1072-F1082 VanDerWaalsContact CD1-CE2 3.47Å; I1072-F1082 HydrophobicContact CD1-CZ 4.09Å; I1072-F1082 HydrophobicContact CG1-CE2 3.84Å; I1072-F1082 HydrophobicContact CG1-CZ 4.11Å; I1072-F1082 HydrophobicContact CG2-CE1 3.83Å; I1072-F1082 HydrophobicContact CG2-CE2 4.07Å; I1072-F1082 HydrophobicContact CG2-CZ 3.49Å; I1072-F1082 VanDerWaalsContact CG2-CZ 3.49Å |
| 1073 | R | 85.3 | Confident | 78.4 | Confident | 144 Ų | 144 | 52.6 Ų | 52.6 | 54% | 0.543 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.4 | 170.1 | -66.6 | -171.7 | -178.1 | -161.5 | 0.7 | 111.6 | L1018 S1019 Q1077 | L1018-R1073 CarbonylContact C-O 3.33Å; L1018-R1073 WeakPolarHBondContact CA-O 3.49Å; S1019-R1073 PolarHBondContact N-O 3.3Å; S1019-R1073 PolarHBondContact O-N 3.36Å; R1073-Q1077 CarbonylContact C-O 3.48Å; R1073-Q1077 VanDerWaalsContact CA-O 3.23Å; R1073-Q1077 WeakPolarHBondContact CA-O 3.25Å |
| 1074 | F | 83.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 117.2 | 173.6 | 172.2 | -123.7 | 0 | 0 | 0 | 109.2 | L1009 P1010 W1012 L1018 D1076 Q1077 L1079 | L1009-F1074 HydrophobicContact CB-CD1 4.13Å; L1009-F1074 HydrophobicContact CB-CE1 3.98Å; L1009-F1074 HydrophobicContact CD2-CD1 3.77Å; L1009-F1074 HydrophobicContact CD2-CE1 4.47Å; L1009-F1074 HydrophobicContact CG-CD1 4.39Å; P1010-F1074 HydrophobicContact CG-CE1 3.73Å; P1010-F1074 HydrophobicContact CG-CZ 4.12Å; P1010-F1074 WeakPolarHBondContact O-CE1 3.27Å; P1010-F1074 VanDerWaalsContact O-CZ 3.32Å; P1010-F1074 WeakPolarHBondContact O-CZ 3.41Å; W1012-F1074 HydrophobicContact CD2-CE2 4.41Å; W1012-F1074 HydrophobicContact CE3-CD2 4.02Å; W1012-F1074 AromaticContact CE3-CE2 3.33Å; W1012-F1074 HydrophobicContact CE3-CE2 3.33Å; W1012-F1074 HydrophobicContact CE3-CZ 4.15Å; W1012-F1074 AromaticContact CZ3-CD2 3.75Å; W1012-F1074 HydrophobicContact CZ3-CD2 3.75Å; W1012-F1074 AromaticContact CZ3-CE2 3.5Å; W1012-F1074 HydrophobicContact CZ3-CE2 3.5Å; W1012-F1074 VanDerWaalsContact CZ3-CE2 3.5Å; L1018-F1074 HydrophobicContact CD1-CB 3.96Å; L1018-F1074 HydrophobicContact CD1-CD2 4.36Å; F1074-D1076 VanDerWaalsContact C-N 3.28Å; F1074-D1076 PolarHBondContact O-N 3.12Å; F1074-Q1077 PolarHBondContact N-O 3.03Å; F1074-Q1077 WeakPolarHBondContact O-CB 3.3Å; F1074-Q1077 PolarHBondContact O-N 3.38Å; F1074-L1079 HydrophobicContact CB-CD1 4.45Å |
| 1075 | N | 79.7 | Confident | 78.6 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 32% | 0.316 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 51.8 | -178 | -68.9 | -17.6 | 0 | 0 | 0 | 112.9 | P1010 S1016 Q1017 Q1077 | P1010-N1075 HydrophobicContact CG-CB 4.5Å; S1016-N1075 VanDerWaalsContact CA-OD1 3.3Å; S1016-N1075 WeakPolarHBondContact CA-OD1 3.38Å; S1016-N1075 PolarHBondContact OG-ND2 3.43Å; S1016-N1075 VanDerWaalsContact OG-ND2 3.11Å; Q1017-N1075 PolarHBondContact N-OD1 3.3Å; Q1017-N1075 PolarHBondContact O-N 3.1Å; N1075-Q1077 PolarHBondContact O-N 3.47Å |
| 1076 | D | 73.4 | Confident | 78.8 | Confident | 142 Ų | 142 | 52.8 Ų | 52.8 | 76% | 0.759 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -7 | -173.5 | -73.1 | -48.6 | 0 | 0 | 0 | 118 | F1074 | F1074-D1076 VanDerWaalsContact C-N 3.28Å; F1074-D1076 PolarHBondContact O-N 3.12Å |
| 1077 | Q | 80.4 | Confident | 79.3 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 135.4 | 166.5 | -60.7 | -173.3 | -4.1 | 0 | 0 | 110.3 | K1008 L1009 R1073 F1074 N1075 | K1008-Q1077 PolarHBondContact O-NE2 2.72Å; K1008-Q1077 PolarHBondContact O-OE1 3.36Å; L1009-Q1077 VanDerWaalsContact CD2-OE1 3.28Å; R1073-Q1077 CarbonylContact C-O 3.48Å; R1073-Q1077 VanDerWaalsContact CA-O 3.23Å; R1073-Q1077 WeakPolarHBondContact CA-O 3.25Å; F1074-Q1077 PolarHBondContact N-O 3.03Å; F1074-Q1077 WeakPolarHBondContact O-CB 3.3Å; F1074-Q1077 PolarHBondContact O-N 3.38Å; N1075-Q1077 PolarHBondContact O-N 3.47Å |
| 1078 | A | 80.9 | Confident | 79.4 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 141.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1072 | I1072-A1078 WeakPolarHBondContact O-CA 3.33Å |
| 1079 | L | 78.8 | Confident | 79.4 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.1 | 178.9 | -66.6 | -179.4 | 0 | 0 | 0 | 110.9 | L1007 L1009 I1072 F1074 Q1084 | L1007-L1079 HydrophobicContact CD1-CD2 3.68Å; L1009-L1079 HydrophobicContact CD1-CD1 4.23Å; L1009-L1079 HydrophobicContact CD1-CD2 4.41Å; L1009-L1079 HydrophobicContact CD2-CD1 4.23Å; L1009-L1079 HydrophobicContact CD2-CD2 3.8Å; L1009-L1079 HydrophobicContact CD2-CG 4.34Å; I1072-L1079 HydrophobicContact CB-CB 3.95Å; I1072-L1079 HydrophobicContact CG2-CB 3.87Å; I1072-L1079 HydrophobicContact CG2-CD1 4.12Å; I1072-L1079 HydrophobicContact CG2-CG 4.44Å; I1072-L1079 PolarHBondContact O-N 3.16Å; F1074-L1079 HydrophobicContact CB-CD1 4.45Å; L1079-Q1084 HydrophobicContact CD2-CG 3.97Å |
| 1080 | T | 76.6 | Confident | 79.8 | Confident | 79 Ų | 79 | 47.7 Ų | 47.7 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -79.3 | -41.9 | 172.7 | -38.5 | 0 | 0 | 0 | 0 | 111.3 | S1070 | S1070-T1080 WeakPolarHBondContact CB-O 3.19Å; S1070-T1080 PolarHBondContact OG-O 2.9Å |
| 1081 | A | 78 | Confident | 80.1 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | trans | -152.1 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R1066 D1083 | R1066-A1081 HydrophobicContact CG-CB 4.06Å; A1081-D1083 VanDerWaalsContact C-N 3.35Å; A1081-D1083 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 1082 | F | 82 | Confident | 80.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -92 | 8.9 | 178.9 | -70.3 | -78.4 | 0 | 0 | 0 | 113.8 | L1018 V1020 M1022 L1060 L1061 I1072 Q1084 W1087 | L1018-F1082 HydrophobicContact CD1-CE1 4.1Å; L1018-F1082 HydrophobicContact CD1-CZ 4.38Å; L1018-F1082 HydrophobicContact CD2-CE1 4.37Å; L1018-F1082 HydrophobicContact CD2-CZ 4.32Å; V1020-F1082 HydrophobicContact CG1-CE2 4.12Å; V1020-F1082 HydrophobicContact CG1-CZ 4.3Å; V1020-F1082 HydrophobicContact CG2-CE2 4.47Å; V1020-F1082 HydrophobicContact CG2-CZ 3.84Å; M1022-F1082 HydrophobicContact SD-CE2 4.39Å; L1060-F1082 WeakPolarHBondContact O-CB 3.35Å; L1060-F1082 VanDerWaalsContact O-CD2 3.24Å; L1060-F1082 WeakPolarHBondContact O-CD2 3.3Å; L1061-F1082 HydrophobicContact CD2-CD2 4.33Å; L1061-F1082 HydrophobicContact CD2-CE2 3.69Å; L1061-F1082 HydrophobicContact CD2-CZ 3.85Å; I1072-F1082 HydrophobicContact CB-CZ 4.46Å; I1072-F1082 HydrophobicContact CD1-CD2 3.73Å; I1072-F1082 HydrophobicContact CD1-CE2 3.47Å; I1072-F1082 VanDerWaalsContact CD1-CE2 3.47Å; I1072-F1082 HydrophobicContact CD1-CZ 4.09Å; I1072-F1082 HydrophobicContact CG1-CE2 3.84Å; I1072-F1082 HydrophobicContact CG1-CZ 4.11Å; I1072-F1082 HydrophobicContact CG2-CE1 3.83Å; I1072-F1082 HydrophobicContact CG2-CE2 4.07Å; I1072-F1082 HydrophobicContact CG2-CZ 3.49Å; I1072-F1082 VanDerWaalsContact CG2-CZ 3.49Å; F1082-Q1084 PolarHBondContact O-N 3.37Å; F1082-W1087 AromaticContact CD1-CD1 3.87Å; F1082-W1087 AromaticContact CD1-CD2 3.78Å; F1082-W1087 HydrophobicContact CD1-CD2 3.78Å; F1082-W1087 AromaticContact CD1-CE2 3.39Å; F1082-W1087 HydrophobicContact CD1-CE3 4.43Å; F1082-W1087 HydrophobicContact CD1-CG 4.08Å; F1082-W1087 HydrophobicContact CD1-CH2 4.4Å; F1082-W1087 AromaticContact CD1-CZ2 3.74Å; F1082-W1087 HydrophobicContact CD1-CZ2 3.74Å; F1082-W1087 AromaticContact CD1-NE1 3.44Å; F1082-W1087 HydrophobicContact CE1-CD2 4.28Å; F1082-W1087 AromaticContact CE1-CE2 3.83Å; F1082-W1087 HydrophobicContact CE1-CH2 4.01Å; F1082-W1087 AromaticContact CE1-CZ2 3.69Å; F1082-W1087 HydrophobicContact CE1-CZ2 3.69Å; F1082-W1087 HydrophobicContact CE1-CZ3 4.42Å; F1082-W1087 AromaticContact CG-NE1 3.98Å |
| 1083 | D | 76.2 | Confident | 80.2 | Confident | 41 Ų | 41 | 39.8 Ų | 39.8 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | trans | -76.2 | 20.7 | 176.5 | 66.1 | -16.3 | 0 | 0 | 0 | 113.8 | R1066 A1081 | R1066-D1083 IonicContact CZ-OD2 2.64Å; R1066-D1083 IonicContact NE-OD2 2.63Å; R1066-D1083 PolarHBondContact NE-OD2 3.03Å; R1066-D1083 IonicContact NH2-OD1 2.59Å; R1066-D1083 IonicContact NH2-OD2 3.83Å; R1066-D1083 PolarHBondContact NH2-OD2 2.85Å; A1081-D1083 VanDerWaalsContact C-N 3.35Å; A1081-D1083 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 1084 | Q | 80.5 | Confident | 80 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | trans | -83.5 | 129.5 | 178.3 | -65.6 | -64.6 | -54.5 | 0 | 0 | 110.2 | L1009 L1079 F1082 Q1086 W1087 Q1088 | L1009-Q1084 HydrophobicContact CD1-CB 3.98Å; L1079-Q1084 HydrophobicContact CD2-CG 3.97Å; F1082-Q1084 PolarHBondContact O-N 3.37Å; Q1084-Q1086 VanDerWaalsContact C-N 3.32Å; Q1084-Q1086 PolarHBondContact O-N 3.35Å; Q1084-W1087 HydrophobicContact CB-CB 4.34Å; Q1084-W1087 WeakPolarHBondContact O-CB 3.44Å; Q1084-W1087 PolarHBondContact O-N 3.18Å; Q1084-Q1088 PolarHBondContact O-N 2.78Å | ||
| 1085 | P | 74.4 | Confident | 79.7 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 16% | 0.156 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -51.2 | -47.7 | -179.9 | -30.9 | 37.1 | 0 | 0 | 0 | 113.4 | Q1006 W1087 Q1088 E1089 | Q1006-P1085 HydrophobicContact CG-CG 4.23Å; P1085-W1087 PolarHBondContact O-N 2.93Å; P1085-W1087 VanDerWaalsContact O-N 3.1Å; P1085-Q1088 PolarHBondContact O-N 3.33Å; P1085-Q1088 VanDerWaalsContact O-N 3.12Å; P1085-E1089 WeakPolarHBondContact O-CG 3.41Å; P1085-E1089 PolarHBondContact O-N 3.18Å |
| 1086 | Q | 78.4 | Confident | 79.4 | Confident | 36 Ų | 36 | 32.7 Ų | 32.7 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68 | -9.3 | -179.2 | -65.5 | 79.3 | 8.6 | 0 | 0 | 114.5 | L1007 L1009 Q1084 E1089 Q1090 | L1007-Q1086 PolarHBondContact O-OE1 3.43Å; L1009-Q1086 HydrophobicContact CB-CB 3.85Å; L1009-Q1086 HydrophobicContact CD1-CB 4.35Å; L1009-Q1086 HydrophobicContact CG-CB 4.28Å; Q1084-Q1086 VanDerWaalsContact C-N 3.32Å; Q1084-Q1086 PolarHBondContact O-N 3.35Å; Q1086-E1089 WeakPolarHBondContact CA-OE2 3.32Å; Q1086-Q1090 WeakPolarHBondContact O-CG 3.32Å; Q1086-Q1090 PolarHBondContact O-NE2 2.65Å |
| 1087 | W | 84.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -86.6 | -48.6 | 169.3 | 175.2 | -102.4 | 0 | 0 | 0 | 110.3 | L1009 L1018 L1061 F1082 Q1084 P1085 E1089 Q1090 I1173 | L1009-W1087 HydrophobicContact CD1-CB 3.81Å; L1018-W1087 HydrophobicContact CD1-CH2 4.23Å; L1018-W1087 HydrophobicContact CD1-CZ3 4.24Å; L1018-W1087 HydrophobicContact CD2-CH2 3.93Å; L1061-W1087 PolarHBondContact O-NE1 3.42Å; F1082-W1087 AromaticContact CD1-CD1 3.87Å; F1082-W1087 AromaticContact CD1-CD2 3.78Å; F1082-W1087 HydrophobicContact CD1-CD2 3.78Å; F1082-W1087 AromaticContact CD1-CE2 3.39Å; F1082-W1087 HydrophobicContact CD1-CE3 4.43Å; F1082-W1087 HydrophobicContact CD1-CG 4.08Å; F1082-W1087 HydrophobicContact CD1-CH2 4.4Å; F1082-W1087 AromaticContact CD1-CZ2 3.74Å; F1082-W1087 HydrophobicContact CD1-CZ2 3.74Å; F1082-W1087 AromaticContact CD1-NE1 3.44Å; F1082-W1087 HydrophobicContact CE1-CD2 4.28Å; F1082-W1087 AromaticContact CE1-CE2 3.83Å; F1082-W1087 HydrophobicContact CE1-CH2 4.01Å; F1082-W1087 AromaticContact CE1-CZ2 3.69Å; F1082-W1087 HydrophobicContact CE1-CZ2 3.69Å; F1082-W1087 HydrophobicContact CE1-CZ3 4.42Å; F1082-W1087 AromaticContact CG-NE1 3.98Å; Q1084-W1087 HydrophobicContact CB-CB 4.34Å; Q1084-W1087 WeakPolarHBondContact O-CB 3.44Å; Q1084-W1087 PolarHBondContact O-N 3.18Å; P1085-W1087 PolarHBondContact O-N 2.93Å; P1085-W1087 VanDerWaalsContact O-N 3.1Å; W1087-E1089 PolarHBondContact O-N 2.79Å; W1087-Q1090 PolarHBondContact O-N 2.94Å; W1087-I1173 HydrophobicContact CE3-CD1 4.05Å; W1087-I1173 HydrophobicContact CH2-CD1 3.52Å; W1087-I1173 HydrophobicContact CZ2-CD1 4.04Å; W1087-I1173 HydrophobicContact CZ3-CD1 3.52Å |
| 1088 | Q | 79.1 | Confident | 79 | Confident | 14 Ų | 14 | 26.3 Ų | 26.3 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 178.4 | -67.5 | 179.2 | -21.2 | 0 | 0 | 112.7 | S1062 Q1084 P1085 Q1090 L1091 Q1299 | S1062-Q1088 PolarHBondContact O-NE2 3.33Å; Q1084-Q1088 PolarHBondContact O-N 2.78Å; P1085-Q1088 PolarHBondContact O-N 3.33Å; P1085-Q1088 VanDerWaalsContact O-N 3.12Å; Q1088-Q1090 PolarHBondContact O-N 2.89Å; Q1088-L1091 PolarHBondContact O-N 3.21Å; Q1088-L1091 VanDerWaalsContact O-N 3.09Å; Q1088-Q1299 HydrophobicContact CB-CG 4.4Å |
| 1089 | E | 77.1 | Confident | 78.8 | Confident | 101 Ų | 101 | 25.5 Ų | 25.5 | 47% | 0.472 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -30.8 | 173.2 | -80.9 | -178.9 | 148.9 | 0 | 0 | 112.8 | P1085 Q1086 W1087 R1171 Q1299 | P1085-E1089 WeakPolarHBondContact O-CG 3.41Å; P1085-E1089 PolarHBondContact O-N 3.18Å; Q1086-E1089 WeakPolarHBondContact CA-OE2 3.32Å; W1087-E1089 PolarHBondContact O-N 2.79Å; E1089-R1171 WeakPolarHBondContact O-CG 3.44Å; E1089-R1171 PolarHBondContact O-NE 2.9Å; E1089-Q1299 HydrophobicContact CG-CB 4.48Å; E1089-Q1299 HydrophobicContact CG-CG 3.8Å |
| 1090 | Q | 84 | Confident | 79 | Confident | 15 Ų | 15 | 26.1 Ų | 26.1 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 2.3 | -173.7 | -51.9 | -177.8 | 38 | 0 | 0 | 114.2 | P1010 T1011 Q1086 W1087 Q1088 R1171 K1172 I1173 | P1010-Q1090 PolarHBondContact O-NE2 3.11Å; T1011-Q1090 VanDerWaalsContact CA-OE1 3.3Å; Q1086-Q1090 WeakPolarHBondContact O-CG 3.32Å; Q1086-Q1090 PolarHBondContact O-NE2 2.65Å; W1087-Q1090 PolarHBondContact O-N 2.94Å; Q1088-Q1090 PolarHBondContact O-N 2.89Å; Q1090-R1171 CarbonylContact O-C 3.6Å; Q1090-R1171 VanDerWaalsContact O-C 3.29Å; Q1090-R1171 WeakPolarHBondContact O-CA 3.41Å; Q1090-R1171 WeakPolarHBondContact O-CB 3.38Å; Q1090-K1172 PolarHBondContact O-N 2.81Å; Q1090-K1172 VanDerWaalsContact O-N 3.12Å; Q1090-I1173 PolarHBondContact O-N 3.42Å |
| 1091 | L | 84.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 120.4 | -161.5 | -171.5 | 156.4 | 0 | 0 | 0 | 111.1 | Q1088 I1173 L1175 F1297 | Q1088-L1091 PolarHBondContact O-N 3.21Å; Q1088-L1091 VanDerWaalsContact O-N 3.09Å; L1091-I1173 CarbonylContact C-O 3.57Å; L1091-I1173 WeakPolarHBondContact CA-O 3.41Å; L1091-I1173 HydrophobicContact CG-CG2 4.43Å; L1091-L1175 HydrophobicContact CD1-CD1 3.88Å; L1091-L1175 HydrophobicContact CD1-CG 4Å; L1091-L1175 HydrophobicContact CD2-CB 4.44Å; L1091-L1175 HydrophobicContact CD2-CD1 3.99Å; L1091-L1175 HydrophobicContact CD2-CG 3.92Å; L1091-L1175 HydrophobicContact CG-CD1 4.32Å; L1091-L1175 HydrophobicContact CG-CG 4.04Å; L1091-F1297 HydrophobicContact CD2-CD1 3.97Å; L1091-F1297 HydrophobicContact CD2-CE1 4.25Å |
| 1092 | I | 83.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.1 | 169.7 | -45.7 | -175.5 | 0 | 0 | 0 | 108 | Y1112 A1165 R1171 I1173 V1174 L1175 | I1092-Y1112 HydrophobicContact CG2-CD2 4Å; I1092-Y1112 HydrophobicContact CG2-CE2 3.7Å; I1092-A1165 HydrophobicContact CD1-CB 4.15Å; I1092-A1165 HydrophobicContact CG2-CB 3.77Å; I1092-R1171 HydrophobicContact CD1-CB 3.94Å; I1092-R1171 HydrophobicContact CG1-CB 3.42Å; I1092-R1171 VanDerWaalsContact CG1-CB 3.42Å; I1092-R1171 HydrophobicContact CG1-CG 4.28Å; I1092-I1173 PolarHBondContact N-O 2.81Å; I1092-V1174 HydrophobicContact CB-CG1 4.42Å; I1092-V1174 HydrophobicContact CB-CG2 4.25Å; I1092-V1174 HydrophobicContact CD1-CG2 4.21Å; I1092-V1174 HydrophobicContact CG1-CG2 4.39Å; I1092-V1174 CarbonylContact O-C 3.54Å; I1092-V1174 WeakPolarHBondContact O-CA 3.29Å; I1092-L1175 PolarHBondContact O-N 3.24Å |
| 1093 | Y | 83.1 | Confident | 79.2 | Confident | 19 Ų | 19 | 26.2 Ų | 26.2 | 8% | 0.075 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.9 | 170.9 | -176.7 | -129.8 | 0 | 0 | 0 | 110.7 | I1058 P1095 Y1112 L1175 D1177 F1297 | I1058-Y1093 HydrophobicContact CG2-CD2 4.43Å; I1058-Y1093 HydrophobicContact CG2-CE2 3.62Å; Y1093-P1095 HydrophobicContact CD1-CB 4.29Å; Y1093-P1095 HydrophobicContact CD1-CG 4.16Å; Y1093-P1095 HydrophobicContact CE1-CB 3.52Å; Y1093-P1095 HydrophobicContact CE1-CG 3.82Å; Y1093-P1095 HydrophobicContact CE2-CB 4.42Å; Y1093-Y1112 PolarHBondContact O-OH 2.8Å; Y1093-L1175 HydrophobicContact CD2-CB 3.89Å; Y1093-L1175 WeakPolarHBondContact CD2-O 3.38Å; Y1093-D1177 HydrophobicContact CE2-CB 4.29Å; Y1093-F1297 VanDerWaalsContact CB-CD2 3.42Å; Y1093-F1297 AromaticContact CD1-CD2 3.51Å; Y1093-F1297 HydrophobicContact CD1-CD2 3.51Å; Y1093-F1297 AromaticContact CD1-CE2 3.14Å; Y1093-F1297 HydrophobicContact CD1-CE2 3.14Å; Y1093-F1297 HydrophobicContact CD1-CZ 4.16Å; Y1093-F1297 HydrophobicContact CD2-CE2 4.45Å; Y1093-F1297 HydrophobicContact CE1-CD2 4.48Å; Y1093-F1297 AromaticContact CE1-CE2 3.76Å; Y1093-F1297 HydrophobicContact CE1-CE2 3.76Å; Y1093-F1297 AromaticContact CG-CD2 3.79Å; Y1093-F1297 HydrophobicContact CG-CD2 3.79Å; Y1093-F1297 AromaticContact CG-CE2 3.51Å; Y1093-F1297 HydrophobicContact CG-CE2 3.51Å; Y1093-F1297 HydrophobicContact CG-CZ 4.23Å |
| 1094 | I | 82 | Confident | 79.7 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 100.8 | 166.9 | -70 | 170.2 | 0 | 0 | 0 | 106.8 | A1161 A1165 L1175 F1176 D1177 P1179 | I1094-A1161 HydrophobicContact CG1-CB 4.46Å; I1094-A1161 HydrophobicContact CG2-CB 4.3Å; I1094-A1165 HydrophobicContact CD1-CB 3.79Å; I1094-L1175 PolarHBondContact N-O 3.4Å; I1094-F1176 HydrophobicContact CB-CD1 3.83Å; I1094-F1176 HydrophobicContact CB-CE1 4.39Å; I1094-F1176 HydrophobicContact CD1-CD1 3.81Å; I1094-F1176 HydrophobicContact CD1-CE1 3.44Å; I1094-F1176 VanDerWaalsContact CD1-CE1 3.44Å; I1094-F1176 HydrophobicContact CD1-CZ 4.45Å; I1094-F1176 HydrophobicContact CG1-CD1 4.36Å; I1094-F1176 HydrophobicContact CG1-CE1 4.44Å; I1094-F1176 HydrophobicContact CG2-CD1 4.03Å; I1094-F1176 WeakPolarHBondContact O-CA 3.32Å; I1094-D1177 PolarHBondContact O-N 3.28Å; I1094-P1179 HydrophobicContact CG2-CB 4.3Å |
| 1095 | P | 76.3 | Confident | 80 | Confident | 20 Ų | 20 | 24.4 Ų | 24.4 | 13% | 0.13 | 12% | 0.119 | C | C | . | . | trans | -70.7 | 164.3 | 175.2 | 24.1 | -27.6 | 0 | 0 | 0 | 112 | Y1093 N1097 D1177 | Y1093-P1095 HydrophobicContact CD1-CB 4.29Å; Y1093-P1095 HydrophobicContact CD1-CG 4.16Å; Y1093-P1095 HydrophobicContact CE1-CB 3.52Å; Y1093-P1095 HydrophobicContact CE1-CG 3.82Å; Y1093-P1095 HydrophobicContact CE2-CB 4.42Å; P1095-N1097 PolarHBondContact O-N 2.79Å; P1095-N1097 VanDerWaalsContact O-N 3.15Å; P1095-D1177 CarbonylContact C-O 3.35Å; P1095-D1177 VanDerWaalsContact C-O 3.3Å | ||
| 1096 | Q | 73.9 | Confident | 80.7 | Confident | 28 Ų | 28 | 26.1 Ų | 26.1 | 13% | 0.131 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -53.5 | -35.4 | 173.7 | -175.2 | 173.1 | 34.5 | 0 | 0 | 111.8 | P1098 Q1158 D1177 E1178 A1181 K1246 | Q1096-P1098 VanDerWaalsContact O-CD 3.32Å; Q1096-P1098 WeakPolarHBondContact O-CD 3.43Å; Q1096-Q1158 PolarHBondContact O-NE2 3.23Å; Q1096-D1177 WeakPolarHBondContact CA-O 3.43Å; Q1096-D1177 PolarHBondContact N-O 3.47Å; Q1096-E1178 HydrophobicContact CB-CB 4.05Å; Q1096-E1178 HydrophobicContact CG-CB 3.65Å; Q1096-E1178 VanDerWaalsContact NE2-CD 3.3Å; Q1096-E1178 PolarHBondContact NE2-OE2 3.48Å; Q1096-A1181 HydrophobicContact CG-CB 4.43Å; Q1096-K1246 VanDerWaalsContact NE2-C 3.29Å; Q1096-K1246 PolarHBondContact NE2-O 2.78Å |
| 1097 | N | 70 | Confident | 81.1 | Confident | 65 Ų | 65 | 29 Ų | 29 | 35% | 0.348 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -117.5 | 79.6 | -178.4 | -55.9 | -22.1 | 0 | 0 | 0 | 108.1 | P1095 Y1099 L1247 S1248 | P1095-N1097 PolarHBondContact O-N 2.79Å; P1095-N1097 VanDerWaalsContact O-N 3.15Å; N1097-Y1099 PolarHBondContact O-N 2.96Å; N1097-L1247 PolarHBondContact ND2-O 3.49Å; N1097-L1247 PolarHBondContact OD1-O 2.71Å; N1097-L1247 VanDerWaalsContact OD1-O 3.07Å; N1097-S1248 VanDerWaalsContact CG-CB 3.46Å; N1097-S1248 WeakPolarHBondContact ND2-CA 3.44Å; N1097-S1248 WeakPolarHBondContact OD1-CA 3.44Å; N1097-S1248 WeakPolarHBondContact OD1-CB 3.21Å |
| 1098 | P | 75.5 | Confident | 81.2 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | trans | -59.6 | 119.8 | -177 | 22.7 | -32.4 | 0 | 0 | 0 | 110.9 | Q1096 I1100 A1157 A1161 | Q1096-P1098 VanDerWaalsContact O-CD 3.32Å; Q1096-P1098 WeakPolarHBondContact O-CD 3.43Å; P1098-I1100 PolarHBondContact O-N 2.93Å; P1098-A1157 HydrophobicContact CG-CB 4.29Å; P1098-A1161 HydrophobicContact CB-CB 3.53Å; P1098-A1161 HydrophobicContact CG-CB 4.29Å | ||
| 1099 | Y | 76.4 | Confident | 81.7 | Confident | 53 Ų | 53 | 28.4 Ų | 28.4 | 21% | 0.208 | 13% | 0.133 | C | C | . | . | trans | -74.2 | 113.1 | -179.6 | -160.6 | -94.5 | 0 | 0 | 0 | 110 | N1097 F1101 R1164 D1287 L1290 | N1097-Y1099 PolarHBondContact O-N 2.96Å; Y1099-F1101 AromaticContact CD1-CD1 3.84Å; Y1099-F1101 HydrophobicContact CD1-CD1 3.84Å; Y1099-F1101 AromaticContact CD1-CE1 3.89Å; Y1099-F1101 HydrophobicContact CD1-CE1 3.89Å; Y1099-F1101 HydrophobicContact CD1-CG 4.16Å; Y1099-F1101 HydrophobicContact CD1-CZ 4.26Å; Y1099-F1101 HydrophobicContact CE1-CD1 4Å; Y1099-F1101 HydrophobicContact CE1-CE1 4.33Å; Y1099-F1101 HydrophobicContact CE1-CG 4.49Å; Y1099-R1164 PolarHBondContact O-NH1 2.94Å; Y1099-R1164 PolarHBondContact O-NH2 2.78Å; Y1099-D1287 HydrophobicContact CE1-CB 4.39Å; Y1099-D1287 WeakPolarHBondContact CE1-O 3.29Å; Y1099-D1287 WeakPolarHBondContact OH-CA 3.17Å; Y1099-D1287 PolarHBondContact OH-OD1 3.35Å; Y1099-L1290 HydrophobicContact CD2-CB 4.3Å; Y1099-L1290 HydrophobicContact CE2-CB 3.65Å; Y1099-L1290 HydrophobicContact CE2-CD1 4.16Å | ||
| 1100 | I | 83.1 | Confident | 82.2 | Confident | 20 Ų | 20 | 24.1 Ų | 24.1 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | trans | -94.8 | 97.7 | 176.9 | -54.9 | -55.6 | 0 | 0 | 0 | 108 | P1098 L1145 L1152 A1157 I1160 | P1098-I1100 PolarHBondContact O-N 2.93Å; I1100-L1145 HydrophobicContact CG2-CB 3.59Å; I1100-L1145 HydrophobicContact CG2-CD1 4.1Å; I1100-L1152 HydrophobicContact CG2-CD1 4.49Å; I1100-A1157 HydrophobicContact CD1-CB 3.95Å; I1100-A1157 HydrophobicContact CG1-CB 3.55Å; I1100-I1160 HydrophobicContact CD1-CB 4.24Å; I1100-I1160 HydrophobicContact CD1-CG2 3.98Å | ||
| 1101 | F | 79.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | trans | -55.5 | 151 | 177 | -62.5 | -81.8 | 0 | 0 | 0 | 111.2 | Y1099 R1103 N1108 F1111 D1287 N1288 D1294 W1295 | Y1099-F1101 AromaticContact CD1-CD1 3.84Å; Y1099-F1101 HydrophobicContact CD1-CD1 3.84Å; Y1099-F1101 AromaticContact CD1-CE1 3.89Å; Y1099-F1101 HydrophobicContact CD1-CE1 3.89Å; Y1099-F1101 HydrophobicContact CD1-CG 4.16Å; Y1099-F1101 HydrophobicContact CD1-CZ 4.26Å; Y1099-F1101 HydrophobicContact CE1-CD1 4Å; Y1099-F1101 HydrophobicContact CE1-CE1 4.33Å; Y1099-F1101 HydrophobicContact CE1-CG 4.49Å; F1101-R1103 HydrophobicContact CB-CG 4.19Å; F1101-R1103 PolarHBondContact O-N 2.88Å; F1101-N1108 PolarHBondContact N-OD1 2.73Å; F1101-N1108 PolarHBondContact O-ND2 2.82Å; F1101-F1111 AromaticContact CD2-CD2 3.89Å; F1101-F1111 HydrophobicContact CD2-CD2 3.89Å; F1101-F1111 AromaticContact CD2-CE2 3.91Å; F1101-F1111 HydrophobicContact CD2-CE2 3.91Å; F1101-F1111 HydrophobicContact CE1-CE2 4.3Å; F1101-F1111 HydrophobicContact CE2-CD1 4.45Å; F1101-F1111 AromaticContact CE2-CD2 3.65Å; F1101-F1111 HydrophobicContact CE2-CD2 3.65Å; F1101-F1111 HydrophobicContact CE2-CE1 4.21Å; F1101-F1111 AromaticContact CE2-CE2 3.36Å; F1101-F1111 HydrophobicContact CE2-CE2 3.36Å; F1101-F1111 HydrophobicContact CE2-CG 4.2Å; F1101-F1111 AromaticContact CE2-CZ 3.67Å; F1101-F1111 HydrophobicContact CE2-CZ 3.67Å; F1101-F1111 HydrophobicContact CZ-CD2 4.34Å; F1101-F1111 HydrophobicContact CZ-CE1 4.47Å; F1101-F1111 AromaticContact CZ-CE2 3.58Å; F1101-F1111 HydrophobicContact CZ-CE2 3.58Å; F1101-F1111 AromaticContact CZ-CZ 3.66Å; F1101-F1111 HydrophobicContact CZ-CZ 3.66Å; F1101-D1287 WeakPolarHBondContact CA-OD2 3Å; F1101-D1287 WeakPolarHBondContact CB-OD2 3.33Å; F1101-D1287 WeakPolarHBondContact CD1-OD2 3.14Å; F1101-N1288 WeakPolarHBondContact CD1-OD1 3.31Å; F1101-N1288 VanDerWaalsContact CE1-OD1 3.29Å; F1101-N1288 WeakPolarHBondContact CE1-OD1 3.45Å; F1101-D1294 HydrophobicContact CE2-CB 4.22Å; F1101-D1294 HydrophobicContact CZ-CB 3.93Å; F1101-W1295 AromaticContact CE1-NE1 3.52Å; F1101-W1295 AromaticContact CZ-NE1 3.9Å | ||
| 1102 | Q | 79.1 | Confident | 81.9 | Confident | 40 Ų | 40 | 24.2 Ų | 24.2 | 19% | 0.187 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -75.6 | 54.2 | -178.7 | -76.1 | 170.5 | 82.3 | 0 | 0 | 113.7 | L1145 S1283 D1287 | Q1102-L1145 WeakPolarHBondContact CA-O 3.37Å; Q1102-S1283 PolarHBondContact NE2-OG 2.91Å; Q1102-S1283 PolarHBondContact OE1-OG 3.42Å; Q1102-D1287 WeakPolarHBondContact CG-OD1 3.12Å; Q1102-D1287 PolarHBondContact N-OD1 2.92Å; Q1102-D1287 PolarHBondContact N-OD2 3.11Å; Q1102-D1287 PolarHBondContact NE2-OD1 3.43Å |
| 1103 | R | 82.2 | Confident | 81.9 | Confident | 43 Ų | 43 | 26.7 Ų | 26.7 | 16% | 0.162 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -130.7 | 171.8 | -171.6 | -58.6 | -174.2 | -179.8 | 178.1 | -2.2 | 110 | F1101 E1107 N1108 K1144 L1145 D1284 | F1101-R1103 HydrophobicContact CB-CG 4.19Å; F1101-R1103 PolarHBondContact O-N 2.88Å; R1103-E1107 HydrophobicContact CB-CB 3.92Å; R1103-N1108 PolarHBondContact O-ND2 3.26Å; R1103-N1108 VanDerWaalsContact O-ND2 3.17Å; R1103-K1144 WeakPolarHBondContact O-CA 3.3Å; R1103-L1145 PolarHBondContact O-N 3.2Å; R1103-D1284 IonicContact CZ-OD1 3.98Å; R1103-D1284 IonicContact NH2-OD1 3.86Å; R1103-D1284 PolarHBondContact NH2-OD1 3Å |
| 1104 | S | 87.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 162.7 | 179.3 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | R1106 E1107 N1108 T1143 | S1104-R1106 PolarHBondContact O-N 3.11Å; S1104-E1107 WeakPolarHBondContact CB-OE2 2.97Å; S1104-E1107 PolarHBondContact N-OE2 2.89Å; S1104-E1107 PolarHBondContact O-N 2.85Å; S1104-E1107 WeakPolarHBondContact OG-CB 3.44Å; S1104-E1107 VanDerWaalsContact OG-CD 3.29Å; S1104-E1107 WeakPolarHBondContact OG-CG 3Å; S1104-E1107 PolarHBondContact OG-N 2.76Å; S1104-E1107 PolarHBondContact OG-OE2 3.29Å; S1104-N1108 WeakPolarHBondContact O-CB 3.32Å; S1104-N1108 PolarHBondContact O-N 2.96Å; S1104-N1108 PolarHBondContact O-ND2 2.91Å; S1104-T1143 CarbonylContact C-O 3.53Å; S1104-T1143 WeakPolarHBondContact CA-O 3.38Å |
| 1105 | V | 86.9 | Confident | 81.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.1 | -45.8 | 169.4 | -163.4 | 0 | 0 | 0 | 0 | 109.9 | N1108 I1109 V1134 L1137 L1141 T1143 L1145 I1160 | V1105-N1108 PolarHBondContact O-N 2.65Å; V1105-I1109 HydrophobicContact CG1-CD1 3.93Å; V1105-I1109 WeakPolarHBondContact O-CB 3.36Å; V1105-I1109 WeakPolarHBondContact O-CG1 3.34Å; V1105-I1109 PolarHBondContact O-N 2.9Å; V1105-V1134 HydrophobicContact CG1-CG2 4.47Å; V1105-L1137 HydrophobicContact CG2-CD1 3.75Å; V1105-L1141 VanDerWaalsContact CB-O 3.29Å; V1105-L1141 WeakPolarHBondContact CB-O 3.31Å; V1105-L1141 PolarHBondContact N-O 2.9Å; V1105-L1141 VanDerWaalsContact N-O 3.13Å; V1105-T1143 PolarHBondContact N-O 3.43Å; V1105-T1143 VanDerWaalsContact N-O 3.09Å; V1105-L1145 HydrophobicContact CB-CD1 4.33Å; V1105-L1145 HydrophobicContact CG1-CD1 4.44Å; V1105-L1145 HydrophobicContact CG2-CD1 4.11Å; V1105-L1145 HydrophobicContact CG2-CD2 4.37Å; V1105-L1145 HydrophobicContact CG2-CG 4.33Å; V1105-I1160 HydrophobicContact CG1-CD1 4.18Å |
| 1106 | R | 89.7 | Confident | 82 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 22% | 0.223 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -49.2 | -59.1 | 173.4 | 173 | -162.8 | -63.7 | -80.1 | -2.4 | 112.5 | S1104 I1109 A1110 D1118 I1121 L1141 D1142 | S1104-R1106 PolarHBondContact O-N 3.11Å; R1106-I1109 PolarHBondContact O-N 2.87Å; R1106-A1110 VanDerWaalsContact O-CB 3.28Å; R1106-A1110 WeakPolarHBondContact O-CB 3.25Å; R1106-A1110 PolarHBondContact O-N 2.81Å; R1106-D1118 IonicContact CZ-OD1 2.73Å; R1106-D1118 IonicContact CZ-OD2 3.78Å; R1106-D1118 VanDerWaalsContact CZ-OD2 3.26Å; R1106-D1118 IonicContact NH1-OD1 2.75Å; R1106-D1118 PolarHBondContact NH1-OD1 3.3Å; R1106-D1118 IonicContact NH1-OD2 2.8Å; R1106-D1118 PolarHBondContact NH1-OD2 2.81Å; R1106-D1118 IonicContact NH2-OD2 2.75Å; R1106-D1118 PolarHBondContact NH2-OD2 3.48Å; R1106-I1121 HydrophobicContact CG-CD1 3.93Å; R1106-L1141 PolarHBondContact N-O 3.36Å; R1106-D1142 IonicContact CZ-OD1 2.68Å; R1106-D1142 IonicContact NE-OD1 2.8Å; R1106-D1142 PolarHBondContact NE-OD1 3.19Å; R1106-D1142 IonicContact NH2-OD1 3.19Å; R1106-D1142 PolarHBondContact NH2-OD1 2.94Å; R1106-D1142 IonicContact NH2-OD2 3.47Å |
| 1107 | E | 86.5 | Confident | 82.6 | Confident | 98 Ų | 98 | 38.9 Ų | 38.9 | 46% | 0.458 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.6 | -35.5 | -177.4 | -70.4 | 162.8 | 113.2 | 0 | 0 | 112.5 | R1103 S1104 I1109 A1110 F1111 | R1103-E1107 HydrophobicContact CB-CB 3.92Å; S1104-E1107 WeakPolarHBondContact CB-OE2 2.97Å; S1104-E1107 PolarHBondContact N-OE2 2.89Å; S1104-E1107 PolarHBondContact O-N 2.85Å; S1104-E1107 WeakPolarHBondContact OG-CB 3.44Å; S1104-E1107 VanDerWaalsContact OG-CD 3.29Å; S1104-E1107 WeakPolarHBondContact OG-CG 3Å; S1104-E1107 PolarHBondContact OG-N 2.76Å; S1104-E1107 PolarHBondContact OG-OE2 3.29Å; E1107-I1109 VanDerWaalsContact C-N 3.32Å; E1107-I1109 PolarHBondContact O-N 3.05Å; E1107-A1110 PolarHBondContact O-N 2.76Å; E1107-F1111 PolarHBondContact O-N 2.68Å; E1107-F1111 VanDerWaalsContact O-N 3.13Å |
| 1108 | N | 86.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 175 | -99.4 | -74.5 | 0 | 0 | 0 | 111.8 | F1101 R1103 S1104 V1105 L1145 I1160 R1164 | F1101-N1108 PolarHBondContact N-OD1 2.73Å; F1101-N1108 PolarHBondContact O-ND2 2.82Å; R1103-N1108 PolarHBondContact O-ND2 3.26Å; R1103-N1108 VanDerWaalsContact O-ND2 3.17Å; S1104-N1108 WeakPolarHBondContact O-CB 3.32Å; S1104-N1108 PolarHBondContact O-N 2.96Å; S1104-N1108 PolarHBondContact O-ND2 2.91Å; V1105-N1108 PolarHBondContact O-N 2.65Å; N1108-L1145 HydrophobicContact CB-CD1 4.41Å; N1108-I1160 HydrophobicContact CB-CG2 3.87Å; N1108-R1164 WeakPolarHBondContact O-CD 3.41Å; N1108-R1164 WeakPolarHBondContact O-CG 3.17Å; N1108-R1164 PolarHBondContact O-NE 2.93Å; N1108-R1164 PolarHBondContact OD1-NH2 2.96Å |
| 1109 | I | 88.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.2 | -41.2 | 176.9 | -67.7 | 177.6 | 0 | 0 | 0 | 110.6 | V1105 R1106 E1107 F1111 I1121 A1124 I1125 L1130 I1160 A1163 R1164 L1167 | V1105-I1109 HydrophobicContact CG1-CD1 3.93Å; V1105-I1109 WeakPolarHBondContact O-CB 3.36Å; V1105-I1109 WeakPolarHBondContact O-CG1 3.34Å; V1105-I1109 PolarHBondContact O-N 2.9Å; R1106-I1109 PolarHBondContact O-N 2.87Å; E1107-I1109 VanDerWaalsContact C-N 3.32Å; E1107-I1109 PolarHBondContact O-N 3.05Å; I1109-F1111 PolarHBondContact O-N 2.84Å; I1109-I1121 HydrophobicContact CG2-CG2 4.28Å; I1109-A1124 HydrophobicContact CG2-CB 4.3Å; I1109-I1125 HydrophobicContact CD1-CD1 3.84Å; I1109-I1125 HydrophobicContact CD1-CG1 3.51Å; I1109-L1130 HydrophobicContact CD1-CD1 4.06Å; I1109-I1160 HydrophobicContact CG1-CG2 4.08Å; I1109-A1163 HydrophobicContact CB-CB 4.44Å; I1109-A1163 HydrophobicContact CD1-CB 3.79Å; I1109-A1163 HydrophobicContact CG1-CB 3.8Å; I1109-A1163 HydrophobicContact CG2-CB 3.91Å; I1109-R1164 WeakPolarHBondContact O-CA 3.32Å; I1109-L1167 HydrophobicContact CG2-CD2 4.16Å |
| 1110 | A | 88.2 | Confident | 84.3 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 6.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1106 E1107 Y1112 H1113 P1114 I1121 L1167 | R1106-A1110 VanDerWaalsContact O-CB 3.28Å; R1106-A1110 WeakPolarHBondContact O-CB 3.25Å; R1106-A1110 PolarHBondContact O-N 2.81Å; E1107-A1110 PolarHBondContact O-N 2.76Å; A1110-Y1112 PolarHBondContact O-N 2.81Å; A1110-H1113 CarbonylContact O-C 3.57Å; A1110-H1113 PolarHBondContact O-N 2.88Å; A1110-P1114 WeakPolarHBondContact O-CA 3.46Å; A1110-P1114 VanDerWaalsContact O-N 3.07Å; A1110-I1121 HydrophobicContact CB-CD1 4.12Å; A1110-L1167 HydrophobicContact CB-CD2 4.18Å |
| 1111 | F | 83.4 | Confident | 84.4 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -45.5 | -172.4 | -175.3 | -92.3 | 0 | 0 | 0 | 113.9 | F1101 E1107 I1109 D1294 W1295 R1300 | F1101-F1111 AromaticContact CD2-CD2 3.89Å; F1101-F1111 HydrophobicContact CD2-CD2 3.89Å; F1101-F1111 AromaticContact CD2-CE2 3.91Å; F1101-F1111 HydrophobicContact CD2-CE2 3.91Å; F1101-F1111 HydrophobicContact CE1-CE2 4.3Å; F1101-F1111 HydrophobicContact CE2-CD1 4.45Å; F1101-F1111 AromaticContact CE2-CD2 3.65Å; F1101-F1111 HydrophobicContact CE2-CD2 3.65Å; F1101-F1111 HydrophobicContact CE2-CE1 4.21Å; F1101-F1111 AromaticContact CE2-CE2 3.36Å; F1101-F1111 HydrophobicContact CE2-CE2 3.36Å; F1101-F1111 HydrophobicContact CE2-CG 4.2Å; F1101-F1111 AromaticContact CE2-CZ 3.67Å; F1101-F1111 HydrophobicContact CE2-CZ 3.67Å; F1101-F1111 HydrophobicContact CZ-CD2 4.34Å; F1101-F1111 HydrophobicContact CZ-CE1 4.47Å; F1101-F1111 AromaticContact CZ-CE2 3.58Å; F1101-F1111 HydrophobicContact CZ-CE2 3.58Å; F1101-F1111 AromaticContact CZ-CZ 3.66Å; F1101-F1111 HydrophobicContact CZ-CZ 3.66Å; E1107-F1111 PolarHBondContact O-N 2.68Å; E1107-F1111 VanDerWaalsContact O-N 3.13Å; I1109-F1111 PolarHBondContact O-N 2.84Å; F1111-D1294 HydrophobicContact CE1-CB 3.86Å; F1111-D1294 HydrophobicContact CZ-CB 4.13Å; F1111-W1295 HydrophobicContact CE2-CD2 4.37Å; F1111-W1295 AromaticContact CE2-CE2 3.98Å; F1111-W1295 HydrophobicContact CE2-CH2 4.28Å; F1111-W1295 AromaticContact CE2-CZ2 3.95Å; F1111-W1295 HydrophobicContact CE2-CZ2 3.95Å; F1111-W1295 AromaticContact CZ-CD2 3.96Å; F1111-W1295 HydrophobicContact CZ-CD2 3.96Å; F1111-W1295 HydrophobicContact CZ-CE3 4.22Å; F1111-W1295 HydrophobicContact CZ-CG 4.38Å; F1111-W1295 HydrophobicContact CZ-CZ2 4.38Å; F1111-R1300 PolarHBondContact O-NH1 2.89Å |
| 1112 | Y | 79.5 | Confident | 84.8 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -80.2 | -32.3 | 178.6 | -74.5 | -50.2 | 0 | 0 | 0 | 113.4 | I1092 Y1093 A1110 R1164 R1171 F1297 | I1092-Y1112 HydrophobicContact CG2-CD2 4Å; I1092-Y1112 HydrophobicContact CG2-CE2 3.7Å; Y1093-Y1112 PolarHBondContact O-OH 2.8Å; A1110-Y1112 PolarHBondContact O-N 2.81Å; Y1112-R1164 HydrophobicContact CD2-CB 3.88Å; Y1112-R1164 HydrophobicContact CE2-CB 4.37Å; Y1112-R1171 PolarHBondContact O-NH1 2.81Å; Y1112-R1171 VanDerWaalsContact O-NH1 3.12Å; Y1112-F1297 HydrophobicContact CE1-CB 4.42Å |
| 1113 | H | 82.9 | Confident | 85.1 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -125.1 | 75.8 | 178.3 | -160.7 | 91 | 0 | 0 | 0 | 111.8 | A1110 K1115 A1116 L1167 D1168 | A1110-H1113 CarbonylContact O-C 3.57Å; A1110-H1113 PolarHBondContact O-N 2.88Å; H1113-K1115 PolarHBondContact O-N 2.7Å; H1113-A1116 PolarHBondContact O-N 3.39Å; H1113-L1167 HydrophobicContact CB-CD2 4.43Å; H1113-D1168 HydrophobicContact CB-CB 4.15Å |
| 1114 | P | 77.9 | Confident | 85.2 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 9.7 | -167.6 | 31.9 | -40.5 | 0 | 0 | 0 | 115.4 | A1110 | A1110-P1114 WeakPolarHBondContact O-CA 3.46Å; A1110-P1114 VanDerWaalsContact O-N 3.07Å |
| 1115 | K | 81.6 | Confident | 85.2 | Confident | 189 Ų | 189 | 54.2 Ų | 54.2 | 82% | 0.822 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 2.2 | 177.1 | -66.7 | 178 | -177.6 | 167.7 | 0 | 113.2 | H1113 | H1113-K1115 PolarHBondContact O-N 2.7Š|
| 1116 | A | 84 | Confident | 85.1 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | trans | -59.7 | 143.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1113 E1120 I1121 L1167 | H1113-A1116 PolarHBondContact O-N 3.39Å; A1116-E1120 HydrophobicContact CB-CB 4.4Å; A1116-I1121 HydrophobicContact CB-CD1 4.38Å; A1116-I1121 HydrophobicContact CB-CG1 4.11Å; A1116-L1167 HydrophobicContact CB-CD1 3.91Å; A1116-L1167 HydrophobicContact CB-CD2 3.5Å; A1116-L1167 HydrophobicContact CB-CG 3.79Å | ||
| 1117 | S | 86.8 | Confident | 84.7 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | trans | -78.3 | 159.3 | 175 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | E1119 E1120 I1121 | S1117-E1119 PolarHBondContact O-N 3.32Å; S1117-E1120 WeakPolarHBondContact CB-OE2 3.41Å; S1117-E1120 PolarHBondContact N-OE2 3.32Å; S1117-E1120 PolarHBondContact O-N 3.14Å; S1117-E1120 WeakPolarHBondContact OG-CG 3.43Å; S1117-E1120 PolarHBondContact OG-N 3.33Å; S1117-E1120 PolarHBondContact OG-OE2 3.22Å; S1117-I1121 WeakPolarHBondContact O-CG1 3.38Å; S1117-I1121 PolarHBondContact O-N 3.05Å | ||
| 1118 | D | 84.1 | Confident | 84.5 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 40% | 0.401 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -53.1 | -34.6 | 171.3 | -69.4 | 55 | 0 | 0 | 0 | 112.5 | R1106 L1122 | R1106-D1118 IonicContact CZ-OD1 2.73Å; R1106-D1118 IonicContact CZ-OD2 3.78Å; R1106-D1118 VanDerWaalsContact CZ-OD2 3.26Å; R1106-D1118 IonicContact NH1-OD1 2.75Å; R1106-D1118 PolarHBondContact NH1-OD1 3.3Å; R1106-D1118 IonicContact NH1-OD2 2.8Å; R1106-D1118 PolarHBondContact NH1-OD2 2.81Å; R1106-D1118 IonicContact NH2-OD2 2.75Å; R1106-D1118 PolarHBondContact NH2-OD2 3.48Å; D1118-L1122 WeakPolarHBondContact O-CB 3.33Å; D1118-L1122 WeakPolarHBondContact O-CD1 3.5Å; D1118-L1122 WeakPolarHBondContact O-CG 3.19Å; D1118-L1122 PolarHBondContact O-N 3.06Å |
| 1119 | E | 86 | Confident | 84.2 | Confident | 161 Ų | 161 | 56.5 Ų | 56.5 | 75% | 0.752 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.2 | -40.5 | 176.4 | -64.7 | -173.5 | 179.2 | 0 | 0 | 112.2 | S1117 K1123 | S1117-E1119 PolarHBondContact O-N 3.32Å; E1119-K1123 WeakPolarHBondContact O-CB 3.05Å; E1119-K1123 PolarHBondContact O-N 2.75Å |
| 1120 | E | 86.9 | Confident | 84 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.2 | -38.6 | 176.6 | -69.8 | 160.1 | 129.5 | 0 | 0 | 111.6 | A1116 S1117 K1123 A1124 L1167 | A1116-E1120 HydrophobicContact CB-CB 4.4Å; S1117-E1120 WeakPolarHBondContact CB-OE2 3.41Å; S1117-E1120 PolarHBondContact N-OE2 3.32Å; S1117-E1120 PolarHBondContact O-N 3.14Å; S1117-E1120 WeakPolarHBondContact OG-CG 3.43Å; S1117-E1120 PolarHBondContact OG-N 3.33Å; S1117-E1120 PolarHBondContact OG-OE2 3.22Å; E1120-K1123 PolarHBondContact O-N 3.32Å; E1120-A1124 WeakPolarHBondContact O-CB 3.37Å; E1120-A1124 PolarHBondContact O-N 3.18Å; E1120-L1167 HydrophobicContact CB-CD1 3.93Å; E1120-L1167 WeakPolarHBondContact O-CD1 3.45Å |
| 1121 | I | 86.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.7 | -45 | 176.6 | -65.4 | 171.1 | 0 | 0 | 0 | 110.9 | R1106 I1109 A1110 A1116 S1117 K1123 A1124 I1125 L1167 | R1106-I1121 HydrophobicContact CG-CD1 3.93Å; I1109-I1121 HydrophobicContact CG2-CG2 4.28Å; A1110-I1121 HydrophobicContact CB-CD1 4.12Å; A1116-I1121 HydrophobicContact CB-CD1 4.38Å; A1116-I1121 HydrophobicContact CB-CG1 4.11Å; S1117-I1121 WeakPolarHBondContact O-CG1 3.38Å; S1117-I1121 PolarHBondContact O-N 3.05Å; I1121-K1123 VanDerWaalsContact C-N 3.31Å; I1121-K1123 PolarHBondContact O-N 3.43Å; I1121-A1124 PolarHBondContact O-N 3.25Å; I1121-I1125 HydrophobicContact CG2-CD1 3.97Å; I1121-I1125 WeakPolarHBondContact O-CB 3.47Å; I1121-I1125 WeakPolarHBondContact O-CG1 3.4Å; I1121-I1125 PolarHBondContact O-N 3.27Å; I1121-L1167 HydrophobicContact CG1-CD1 4.05Å; I1121-L1167 HydrophobicContact CG1-CD2 4.26Å |
| 1122 | L | 86.9 | Confident | 83.7 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 45% | 0.445 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 174.5 | -77.8 | 167.5 | 0 | 0 | 0 | 111.7 | D1118 I1125 E1126 L1141 | D1118-L1122 WeakPolarHBondContact O-CB 3.33Å; D1118-L1122 WeakPolarHBondContact O-CD1 3.5Å; D1118-L1122 WeakPolarHBondContact O-CG 3.19Å; D1118-L1122 PolarHBondContact O-N 3.06Å; L1122-I1125 WeakPolarHBondContact O-CB 3.45Å; L1122-I1125 PolarHBondContact O-N 3.47Å; L1122-E1126 WeakPolarHBondContact O-CB 3.35Å; L1122-E1126 PolarHBondContact O-N 3.19Å; L1122-L1141 HydrophobicContact CD2-CD1 4.1Å; L1122-L1141 HydrophobicContact CD2-CD2 4.04Å; L1122-L1141 HydrophobicContact CD2-CG 4.4Å; L1122-L1141 HydrophobicContact CG-CD1 4.19Å |
| 1123 | K | 85.4 | Confident | 83.7 | Confident | 138 Ų | 138 | 64.8 Ų | 64.8 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.5 | -38.3 | 174.1 | -173.6 | 178.1 | -179.1 | -176.9 | 0 | 112.4 | E1119 E1120 I1121 I1125 E1126 V1127 | E1119-K1123 WeakPolarHBondContact O-CB 3.05Å; E1119-K1123 PolarHBondContact O-N 2.75Å; E1120-K1123 PolarHBondContact O-N 3.32Å; I1121-K1123 VanDerWaalsContact C-N 3.31Å; I1121-K1123 PolarHBondContact O-N 3.43Å; K1123-I1125 VanDerWaalsContact C-N 3.31Å; K1123-E1126 PolarHBondContact O-N 3.03Å; K1123-V1127 WeakPolarHBondContact O-CB 3.33Å; K1123-V1127 VanDerWaalsContact O-CG2 3.24Å; K1123-V1127 WeakPolarHBondContact O-CG2 3.38Å; K1123-V1127 PolarHBondContact O-N 3.44Å |
| 1124 | A | 85.5 | Confident | 83.7 | Confident | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1109 E1120 I1121 T1128 A1163 L1167 | I1109-A1124 HydrophobicContact CG2-CB 4.3Å; E1120-A1124 WeakPolarHBondContact O-CB 3.37Å; E1120-A1124 PolarHBondContact O-N 3.18Å; I1121-A1124 PolarHBondContact O-N 3.25Å; A1124-T1128 WeakPolarHBondContact O-CB 3.33Å; A1124-T1128 WeakPolarHBondContact O-CG2 3.32Å; A1124-T1128 PolarHBondContact O-N 3.41Å; A1124-T1128 PolarHBondContact O-OG1 3.43Å; A1124-A1163 HydrophobicContact CB-CB 4.27Å; A1124-L1167 HydrophobicContact CB-CD1 4.13Å |
| 1125 | I | 86.3 | Confident | 84 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 174.7 | -77.6 | 165.5 | 0 | 0 | 0 | 112.1 | I1109 I1121 L1122 K1123 T1128 G1129 L1130 V1134 L1141 | I1109-I1125 HydrophobicContact CD1-CD1 3.84Å; I1109-I1125 HydrophobicContact CD1-CG1 3.51Å; I1121-I1125 HydrophobicContact CG2-CD1 3.97Å; I1121-I1125 WeakPolarHBondContact O-CB 3.47Å; I1121-I1125 WeakPolarHBondContact O-CG1 3.4Å; I1121-I1125 PolarHBondContact O-N 3.27Å; L1122-I1125 WeakPolarHBondContact O-CB 3.45Å; L1122-I1125 PolarHBondContact O-N 3.47Å; K1123-I1125 VanDerWaalsContact C-N 3.31Å; I1125-T1128 PolarHBondContact O-OG1 2.66Å; I1125-G1129 WeakPolarHBondContact O-CA 3.41Å; I1125-G1129 PolarHBondContact O-N 3.23Å; I1125-L1130 HydrophobicContact CB-CB 4.29Å; I1125-L1130 HydrophobicContact CG1-CB 4.23Å; I1125-L1130 HydrophobicContact CG1-CD1 4.31Å; I1125-L1130 HydrophobicContact CG2-CB 3.87Å; I1125-L1130 PolarHBondContact O-N 3.06Å; I1125-V1134 HydrophobicContact CD1-CG2 4.27Å; I1125-V1134 HydrophobicContact CG2-CG2 4.14Å; I1125-L1141 HydrophobicContact CD1-CD2 3.17Å |
| 1126 | E | 84.8 | Confident | 83.9 | Confident | 137 Ų | 137 | 62 Ų | 62 | 64% | 0.64 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.6 | -50.4 | 174.3 | -176.2 | -178.3 | -157.8 | 0 | 0 | 110.6 | L1122 K1123 T1128 G1129 | L1122-E1126 WeakPolarHBondContact O-CB 3.35Å; L1122-E1126 PolarHBondContact O-N 3.19Å; K1123-E1126 PolarHBondContact O-N 3.03Å; E1126-T1128 VanDerWaalsContact C-N 3.29Å; E1126-T1128 PolarHBondContact O-N 3.33Å; E1126-G1129 PolarHBondContact O-N 3.34Å; E1126-G1129 VanDerWaalsContact O-N 3.08Å |
| 1127 | V | 82.3 | Confident | 83.7 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -31.7 | 179.1 | 169.8 | 0 | 0 | 0 | 0 | 112.5 | K1123 F1166 R1194 | K1123-V1127 WeakPolarHBondContact O-CB 3.33Å; K1123-V1127 VanDerWaalsContact O-CG2 3.24Å; K1123-V1127 WeakPolarHBondContact O-CG2 3.38Å; K1123-V1127 PolarHBondContact O-N 3.44Å; V1127-F1166 HydrophobicContact CG1-CD1 4.04Å; V1127-F1166 HydrophobicContact CG1-CD2 4.12Å; V1127-F1166 HydrophobicContact CG1-CE1 3.81Å; V1127-F1166 HydrophobicContact CG1-CE2 3.89Å; V1127-F1166 HydrophobicContact CG1-CG 4.18Å; V1127-F1166 HydrophobicContact CG1-CZ 3.72Å; V1127-R1194 WeakPolarHBondContact O-CB 3.39Å; V1127-R1194 WeakPolarHBondContact O-CD 3.21Å; V1127-R1194 WeakPolarHBondContact O-CG 3.49Å; V1127-R1194 PolarHBondContact O-NE 3.32Å |
| 1128 | T | 81 | Confident | 83.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -88.8 | -6.8 | 175 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | A1124 I1125 E1126 L1130 R1159 L1162 A1163 F1166 R1194 | A1124-T1128 WeakPolarHBondContact O-CB 3.33Å; A1124-T1128 WeakPolarHBondContact O-CG2 3.32Å; A1124-T1128 PolarHBondContact O-N 3.41Å; A1124-T1128 PolarHBondContact O-OG1 3.43Å; I1125-T1128 PolarHBondContact O-OG1 2.66Å; E1126-T1128 VanDerWaalsContact C-N 3.29Å; E1126-T1128 PolarHBondContact O-N 3.33Å; T1128-L1130 WeakPolarHBondContact OG1-CD1 3.32Å; T1128-R1159 WeakPolarHBondContact O-CD 3.47Å; T1128-L1162 HydrophobicContact CG2-CB 4.2Å; T1128-L1162 HydrophobicContact CG2-CD2 4.16Å; T1128-L1162 HydrophobicContact CG2-CG 3.97Å; T1128-A1163 HydrophobicContact CG2-CB 3.84Å; T1128-F1166 HydrophobicContact CG2-CD2 4.25Å; T1128-R1194 WeakPolarHBondContact O-CD 3.17Å; T1128-R1194 PolarHBondContact O-NH1 3.41Å |
| 1129 | G | 80.8 | Confident | 83.1 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 52.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1125 E1126 R1159 R1194 | I1125-G1129 WeakPolarHBondContact O-CA 3.41Å; I1125-G1129 PolarHBondContact O-N 3.23Å; E1126-G1129 PolarHBondContact O-N 3.34Å; E1126-G1129 VanDerWaalsContact O-N 3.08Å; G1129-R1159 PolarHBondContact O-NH1 2.98Å; G1129-R1194 VanDerWaalsContact CA-CZ 3.46Å; G1129-R1194 VanDerWaalsContact CA-NH1 3.34Å |
| 1130 | L | 83.8 | Confident | 83.1 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | trans | -93 | -5.6 | 165.2 | -74.2 | 168.6 | 0 | 0 | 0 | 111.7 | I1109 I1125 T1128 D1132 L1133 V1134 R1159 I1160 A1163 | I1109-L1130 HydrophobicContact CD1-CD1 4.06Å; I1125-L1130 HydrophobicContact CB-CB 4.29Å; I1125-L1130 HydrophobicContact CG1-CB 4.23Å; I1125-L1130 HydrophobicContact CG1-CD1 4.31Å; I1125-L1130 HydrophobicContact CG2-CB 3.87Å; I1125-L1130 PolarHBondContact O-N 3.06Å; T1128-L1130 WeakPolarHBondContact OG1-CD1 3.32Å; L1130-D1132 PolarHBondContact O-N 3.46Å; L1130-L1133 HydrophobicContact CD2-CD2 3.88Å; L1130-L1133 WeakPolarHBondContact O-CB 3.27Å; L1130-L1133 PolarHBondContact O-N 3.06Å; L1130-L1133 VanDerWaalsContact O-N 3.13Å; L1130-V1134 HydrophobicContact CB-CG2 4.45Å; L1130-V1134 WeakPolarHBondContact O-CG2 3.45Å; L1130-V1134 PolarHBondContact O-N 3.04Å; L1130-R1159 HydrophobicContact CD1-CB 4.27Å; L1130-R1159 HydrophobicContact CD2-CB 3.67Å; L1130-R1159 HydrophobicContact CG-CB 3.9Å; L1130-I1160 HydrophobicContact CD1-CG1 3.59Å; L1130-I1160 HydrophobicContact CD2-CG1 4.06Å; L1130-A1163 HydrophobicContact CD1-CB 4.36Å | ||
| 1131 | T | 83.9 | Confident | 83.1 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 34% | 0.344 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -51.3 | -50.6 | -173.9 | -46.7 | 0 | 0 | 0 | 0 | 113.5 | V1134 N1135 | T1131-V1134 PolarHBondContact O-N 3.43Å; T1131-N1135 VanDerWaalsContact O-CG 3.26Å; T1131-N1135 PolarHBondContact O-N 3.29Å; T1131-N1135 PolarHBondContact O-ND2 3.2Å |
| 1132 | D | 80.8 | Confident | 83.1 | Confident | 123 Ų | 123 | 60 Ų | 60 | 66% | 0.658 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70 | -36.2 | -178.7 | -61.3 | -38.3 | 0 | 0 | 0 | 112 | L1130 V1134 N1135 D1136 | L1130-D1132 PolarHBondContact O-N 3.46Å; D1132-V1134 VanDerWaalsContact C-N 3.3Å; D1132-V1134 PolarHBondContact O-N 3.09Å; D1132-N1135 PolarHBondContact O-N 3.21Å; D1132-D1136 WeakPolarHBondContact O-CB 3.32Å; D1132-D1136 PolarHBondContact O-N 3.32Å |
| 1133 | L | 79.5 | Confident | 83 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 171 | 179.5 | 64.5 | 0 | 0 | 0 | 111.4 | L1130 N1135 D1136 L1137 L1152 Q1156 | L1130-L1133 HydrophobicContact CD2-CD2 3.88Å; L1130-L1133 WeakPolarHBondContact O-CB 3.27Å; L1130-L1133 PolarHBondContact O-N 3.06Å; L1130-L1133 VanDerWaalsContact O-N 3.13Å; L1133-N1135 VanDerWaalsContact C-N 3.33Å; L1133-D1136 CarbonylContact O-C 3.57Å; L1133-D1136 PolarHBondContact O-N 2.83Å; L1133-L1137 HydrophobicContact CD1-CG 4.47Å; L1133-L1137 HydrophobicContact CG-CD1 4.04Å; L1133-L1137 HydrophobicContact CG-CG 4.36Å; L1133-L1137 WeakPolarHBondContact O-CB 3.2Å; L1133-L1137 WeakPolarHBondContact O-CD1 3.34Å; L1133-L1137 WeakPolarHBondContact O-CG 3.34Å; L1133-L1137 PolarHBondContact O-N 2.99Å; L1133-L1152 HydrophobicContact CD2-CD2 4.1Å; L1133-Q1156 HydrophobicContact CD2-CB 4Å; L1133-Q1156 HydrophobicContact CD2-CG 3.87Å |
| 1134 | V | 83.6 | Confident | 82.9 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.3 | -28.8 | 178 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | V1105 I1125 L1130 T1131 D1132 L1137 G1140 L1141 | V1105-V1134 HydrophobicContact CG1-CG2 4.47Å; I1125-V1134 HydrophobicContact CD1-CG2 4.27Å; I1125-V1134 HydrophobicContact CG2-CG2 4.14Å; L1130-V1134 HydrophobicContact CB-CG2 4.45Å; L1130-V1134 WeakPolarHBondContact O-CG2 3.45Å; L1130-V1134 PolarHBondContact O-N 3.04Å; T1131-V1134 PolarHBondContact O-N 3.43Å; D1132-V1134 VanDerWaalsContact C-N 3.3Å; D1132-V1134 PolarHBondContact O-N 3.09Å; V1134-L1137 HydrophobicContact CG2-CD1 4.37Å; V1134-G1140 WeakPolarHBondContact O-CA 3.35Å; V1134-L1141 HydrophobicContact CG1-CD2 4.08Å |
| 1135 | N | 82.8 | Confident | 82.8 | Confident | 116 Ų | 116 | 55 Ų | 55 | 62% | 0.62 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -75.4 | -33.8 | 170.7 | -65.4 | -34.4 | 0 | 0 | 0 | 112.5 | T1131 D1132 L1133 L1137 | T1131-N1135 VanDerWaalsContact O-CG 3.26Å; T1131-N1135 PolarHBondContact O-N 3.29Å; T1131-N1135 PolarHBondContact O-ND2 3.2Å; D1132-N1135 PolarHBondContact O-N 3.21Å; L1133-N1135 VanDerWaalsContact C-N 3.33Å; N1135-L1137 VanDerWaalsContact C-N 3.32Å |
| 1136 | D | 80 | Confident | 82.1 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 67% | 0.674 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -82.9 | -3 | 174.4 | -82.7 | -3.5 | 0 | 0 | 0 | 113.7 | D1132 L1133 R1150 | D1132-D1136 WeakPolarHBondContact O-CB 3.32Å; D1132-D1136 PolarHBondContact O-N 3.32Å; L1133-D1136 CarbonylContact O-C 3.57Å; L1133-D1136 PolarHBondContact O-N 2.83Å; D1136-R1150 PolarHBondContact O-NH1 3.28Å; D1136-R1150 VanDerWaalsContact O-NH1 3.11Å |
| 1137 | L | 81.2 | Confident | 81.1 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -89.8 | 127.9 | 174.9 | -86.5 | 166.2 | 0 | 0 | 0 | 108.8 | V1105 L1133 V1134 N1135 D1139 G1140 T1143 R1150 | V1105-L1137 HydrophobicContact CG2-CD1 3.75Å; L1133-L1137 HydrophobicContact CD1-CG 4.47Å; L1133-L1137 HydrophobicContact CG-CD1 4.04Å; L1133-L1137 HydrophobicContact CG-CG 4.36Å; L1133-L1137 WeakPolarHBondContact O-CB 3.2Å; L1133-L1137 WeakPolarHBondContact O-CD1 3.34Å; L1133-L1137 WeakPolarHBondContact O-CG 3.34Å; L1133-L1137 PolarHBondContact O-N 2.99Å; V1134-L1137 HydrophobicContact CG2-CD1 4.37Å; N1135-L1137 VanDerWaalsContact C-N 3.32Å; L1137-D1139 PolarHBondContact O-N 3.28Å; L1137-D1139 VanDerWaalsContact O-N 3.12Å; L1137-G1140 PolarHBondContact O-N 3.38Å; L1137-G1140 VanDerWaalsContact O-N 3.09Å; L1137-T1143 HydrophobicContact CD2-CG2 3.63Å; L1137-R1150 VanDerWaalsContact CD2-CD 3.47Å |
| 1138 | P | 75.5 | Confident | 79.9 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 71% | 0.714 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -30.2 | -169.3 | 22.9 | -34.8 | 0 | 0 | 0 | 114.5 | T1143 | P1138-T1143 HydrophobicContact CG-CG2 4.17Š|
| 1139 | D | 81.7 | Confident | 79.2 | Confident | 115 Ų | 115 | 54 Ų | 54 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 17.7 | -179.6 | -51.8 | -71.2 | 0 | 0 | 0 | 112 | L1137 L1141 D1142 T1143 | L1137-D1139 PolarHBondContact O-N 3.28Å; L1137-D1139 VanDerWaalsContact O-N 3.12Å; D1139-L1141 PolarHBondContact O-N 2.89Å; D1139-D1142 PolarHBondContact O-N 3.01Å; D1139-T1143 WeakPolarHBondContact CA-OG1 3.26Å; D1139-T1143 WeakPolarHBondContact CB-OG1 3.43Å; D1139-T1143 PolarHBondContact N-OG1 3Å; D1139-T1143 VanDerWaalsContact N-OG1 3.16Å |
| 1140 | G | 85.6 | Confident | 78.5 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | 55 | -130 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1134 L1137 D1142 T1143 | V1134-G1140 WeakPolarHBondContact O-CA 3.35Å; L1137-G1140 PolarHBondContact O-N 3.38Å; L1137-G1140 VanDerWaalsContact O-N 3.09Å; G1140-D1142 PolarHBondContact O-N 3.31Å; G1140-T1143 PolarHBondContact N-OG1 3.43Å; G1140-T1143 VanDerWaalsContact N-OG1 3.16Å; G1140-T1143 WeakPolarHBondContact O-CB 3.44Å; G1140-T1143 PolarHBondContact O-N 3.43Å; G1140-T1143 PolarHBondContact O-OG1 3.36Å |
| 1141 | L | 87.3 | Confident | 77.6 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -54.7 | -31.5 | 179.6 | -65.4 | -177.5 | 0 | 0 | 0 | 114 | V1105 R1106 L1122 I1125 V1134 D1139 | V1105-L1141 VanDerWaalsContact CB-O 3.29Å; V1105-L1141 WeakPolarHBondContact CB-O 3.31Å; V1105-L1141 PolarHBondContact N-O 2.9Å; V1105-L1141 VanDerWaalsContact N-O 3.13Å; R1106-L1141 PolarHBondContact N-O 3.36Å; L1122-L1141 HydrophobicContact CD2-CD1 4.1Å; L1122-L1141 HydrophobicContact CD2-CD2 4.04Å; L1122-L1141 HydrophobicContact CD2-CG 4.4Å; L1122-L1141 HydrophobicContact CG-CD1 4.19Å; I1125-L1141 HydrophobicContact CD1-CD2 3.17Å; V1134-L1141 HydrophobicContact CG1-CD2 4.08Å; D1139-L1141 PolarHBondContact O-N 2.89Å |
| 1142 | D | 86.9 | Confident | 77.1 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -92.2 | -3.4 | -170 | -59.1 | -41.5 | 0 | 0 | 0 | 111.9 | R1106 D1139 G1140 K1144 | R1106-D1142 IonicContact CZ-OD1 2.68Å; R1106-D1142 IonicContact NE-OD1 2.8Å; R1106-D1142 PolarHBondContact NE-OD1 3.19Å; R1106-D1142 IonicContact NH2-OD1 3.19Å; R1106-D1142 PolarHBondContact NH2-OD1 2.94Å; R1106-D1142 IonicContact NH2-OD2 3.47Å; D1139-D1142 PolarHBondContact O-N 3.01Å; G1140-D1142 PolarHBondContact O-N 3.31Å; D1142-K1144 PolarHBondContact O-N 3.43Å |
| 1143 | T | 85.1 | Confident | 76.6 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | trans | -63 | 129.1 | 175.6 | -41.2 | 0 | 0 | 0 | 0 | 111.5 | S1104 V1105 L1137 P1138 D1139 G1140 | S1104-T1143 CarbonylContact C-O 3.53Å; S1104-T1143 WeakPolarHBondContact CA-O 3.38Å; V1105-T1143 PolarHBondContact N-O 3.43Å; V1105-T1143 VanDerWaalsContact N-O 3.09Å; L1137-T1143 HydrophobicContact CD2-CG2 3.63Å; P1138-T1143 HydrophobicContact CG-CG2 4.17Å; D1139-T1143 WeakPolarHBondContact CA-OG1 3.26Å; D1139-T1143 WeakPolarHBondContact CB-OG1 3.43Å; D1139-T1143 PolarHBondContact N-OG1 3Å; D1139-T1143 VanDerWaalsContact N-OG1 3.16Å; G1140-T1143 PolarHBondContact N-OG1 3.43Å; G1140-T1143 VanDerWaalsContact N-OG1 3.16Å; G1140-T1143 WeakPolarHBondContact O-CB 3.44Å; G1140-T1143 PolarHBondContact O-N 3.43Å; G1140-T1143 PolarHBondContact O-OG1 3.36Å | ||
| 1144 | K | 83 | Confident | 76 | Confident | 110 Ų | 110 | 56.6 Ų | 56.6 | 48% | 0.478 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -73.2 | 147.5 | 177.4 | -69.7 | -165.3 | 175.6 | -165.1 | 0 | 113 | R1103 D1142 A1149 | R1103-K1144 WeakPolarHBondContact O-CA 3.3Å; D1142-K1144 PolarHBondContact O-N 3.43Å; K1144-A1149 HydrophobicContact CB-CB 4.03Å; K1144-A1149 VanDerWaalsContact O-CB 3.31Å; K1144-A1149 WeakPolarHBondContact O-CB 3.38Å |
| 1145 | L | 82.6 | Confident | 75.5 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -119.8 | -172.1 | -176.7 | -57.8 | 176.1 | 0 | 0 | 0 | 112.1 | I1100 Q1102 R1103 V1105 N1108 L1152 I1160 | I1100-L1145 HydrophobicContact CG2-CB 3.59Å; I1100-L1145 HydrophobicContact CG2-CD1 4.1Å; Q1102-L1145 WeakPolarHBondContact CA-O 3.37Å; R1103-L1145 PolarHBondContact O-N 3.2Å; V1105-L1145 HydrophobicContact CB-CD1 4.33Å; V1105-L1145 HydrophobicContact CG1-CD1 4.44Å; V1105-L1145 HydrophobicContact CG2-CD1 4.11Å; V1105-L1145 HydrophobicContact CG2-CD2 4.37Å; V1105-L1145 HydrophobicContact CG2-CG 4.33Å; N1108-L1145 HydrophobicContact CB-CD1 4.41Å; L1145-L1152 HydrophobicContact CD1-CD1 4.06Å; L1145-L1152 HydrophobicContact CD2-CD1 4.05Å; L1145-L1152 HydrophobicContact CD2-CD2 3.96Å; L1145-L1152 HydrophobicContact CD2-CG 4.09Å; L1145-L1152 HydrophobicContact CG-CD1 4.5Å; L1145-I1160 HydrophobicContact CD1-CD1 3.35Å |
| 1146 | G | 72.2 | Confident | 75.4 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 79.9 | 172.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1148 A1149 R1150 | G1146-G1148 PolarHBondContact O-N 2.9Å; G1146-A1149 CarbonylContact O-C 3.52Å; G1146-A1149 PolarHBondContact O-N 3.08Å; G1146-R1150 CarbonylContact O-C 3.57Å |
| 1147 | E | 63.3 | Low | 75.4 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 6.1 | -179.9 | -175.9 | 164.7 | -71.7 | 0 | 0 | 113.4 | A1149 T1151 A1250 L1251 | E1147-A1149 VanDerWaalsContact C-N 3.31Å; E1147-T1151 HydrophobicContact CB-CG2 3.81Å; E1147-T1151 HydrophobicContact CG-CG2 3.57Å; E1147-T1151 WeakPolarHBondContact OE1-CG2 3.48Å; E1147-A1250 HydrophobicContact CB-CB 4.07Å; E1147-A1250 WeakPolarHBondContact OE1-CB 3.44Å; E1147-L1251 VanDerWaalsContact OE2-CA 3.3Å; E1147-L1251 WeakPolarHBondContact OE2-CA 3.39Å; E1147-L1251 PolarHBondContact OE2-N 3.31Å |
| 1148 | G | 58.3 | Low | 75.3 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1146 | G1146-G1148 PolarHBondContact O-N 2.9Š|
| 1149 | A | 64.7 | Low | 75.6 | Confident | 51 Ų | 51 | 43.4 Ų | 43.4 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -131.6 | -132.2 | -176 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1144 G1146 E1147 T1151 | K1144-A1149 HydrophobicContact CB-CB 4.03Å; K1144-A1149 VanDerWaalsContact O-CB 3.31Å; K1144-A1149 WeakPolarHBondContact O-CB 3.38Å; G1146-A1149 CarbonylContact O-C 3.52Å; G1146-A1149 PolarHBondContact O-N 3.08Å; E1147-A1149 VanDerWaalsContact C-N 3.31Å; A1149-T1151 PolarHBondContact O-N 2.93Å |
| 1150 | R | 66.3 | Low | 75.9 | Confident | 90 Ų | 90 | 38 Ų | 38 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -73.5 | 109.7 | 173.6 | -173.2 | -173.4 | -177.7 | 157.4 | 0.4 | 109.5 | D1136 L1137 G1146 L1152 | D1136-R1150 PolarHBondContact O-NH1 3.28Å; D1136-R1150 VanDerWaalsContact O-NH1 3.11Å; L1137-R1150 VanDerWaalsContact CD2-CD 3.47Å; G1146-R1150 CarbonylContact O-C 3.57Å; R1150-L1152 PolarHBondContact O-N 2.92Å |
| 1151 | T | 65.8 | Low | 75.7 | Confident | 79 Ų | 79 | 37.2 Ų | 37.2 | 49% | 0.485 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -54.5 | 122 | 163.1 | 47.8 | 0 | 0 | 0 | 0 | 109.8 | E1147 A1149 | E1147-T1151 HydrophobicContact CB-CG2 3.81Å; E1147-T1151 HydrophobicContact CG-CG2 3.57Å; E1147-T1151 WeakPolarHBondContact OE1-CG2 3.48Å; A1149-T1151 PolarHBondContact O-N 2.93Å |
| 1152 | L | 72.2 | Confident | 75.6 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -86.5 | 149 | 171.4 | -68.2 | -173.1 | 0 | 0 | 0 | 110 | I1100 L1133 L1145 R1150 Q1156 A1157 I1160 | I1100-L1152 HydrophobicContact CG2-CD1 4.49Å; L1133-L1152 HydrophobicContact CD2-CD2 4.1Å; L1145-L1152 HydrophobicContact CD1-CD1 4.06Å; L1145-L1152 HydrophobicContact CD2-CD1 4.05Å; L1145-L1152 HydrophobicContact CD2-CD2 3.96Å; L1145-L1152 HydrophobicContact CD2-CG 4.09Å; L1145-L1152 HydrophobicContact CG-CD1 4.5Å; R1150-L1152 PolarHBondContact O-N 2.92Å; L1152-Q1156 HydrophobicContact CB-CB 3.92Å; L1152-Q1156 HydrophobicContact CD1-CB 4.27Å; L1152-Q1156 HydrophobicContact CD2-CB 4.1Å; L1152-Q1156 HydrophobicContact CG-CB 4.33Å; L1152-A1157 HydrophobicContact CB-CB 4.47Å; L1152-I1160 HydrophobicContact CD1-CD1 3.54Å |
| 1153 | S | 70.4 | Confident | 75.6 | Confident | 65 Ų | 65 | 32.2 Ų | 32.2 | 46% | 0.455 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -64 | 154.2 | 162.6 | 74.9 | 0 | 0 | 0 | 0 | 109.6 | G1155 Q1156 A1157 | S1153-G1155 PolarHBondContact O-N 3.09Å; S1153-G1155 VanDerWaalsContact O-N 3.1Å; S1153-Q1156 VanDerWaalsContact N-OE1 3.09Å; S1153-Q1156 WeakPolarHBondContact O-CB 3.35Å; S1153-Q1156 PolarHBondContact O-N 2.79Å; S1153-Q1156 VanDerWaalsContact OG-CG 3.31Å; S1153-Q1156 WeakPolarHBondContact OG-CG 3.38Å; S1153-Q1156 PolarHBondContact OG-N 3.35Å; S1153-A1157 PolarHBondContact O-N 3.14Å |
| 1154 | G | 67.9 | Low | 75.6 | Confident | 21 Ų | 21 | 32 Ų | 32 | 22% | 0.216 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.2 | -39.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1157 Q1158 | G1154-A1157 PolarHBondContact O-N 3.09Å; G1154-Q1158 WeakPolarHBondContact O-CB 3.18Å; G1154-Q1158 PolarHBondContact O-N 2.79Å |
| 1155 | G | 72 | Confident | 75.6 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.1 | -30.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1153 Q1158 R1159 | S1153-G1155 PolarHBondContact O-N 3.09Å; S1153-G1155 VanDerWaalsContact O-N 3.1Å; G1155-Q1158 PolarHBondContact O-N 3.1Å; G1155-R1159 WeakPolarHBondContact O-CG 3.36Å; G1155-R1159 PolarHBondContact O-N 3.19Å |
| 1156 | Q | 81.4 | Confident | 75.6 | Confident | 55 Ų | 55 | 28 Ų | 28 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.8 | -40.1 | 172.9 | -70 | 167.6 | -11.4 | 0 | 0 | 110.9 | L1133 L1152 S1153 Q1158 R1159 I1160 | L1133-Q1156 HydrophobicContact CD2-CB 4Å; L1133-Q1156 HydrophobicContact CD2-CG 3.87Å; L1152-Q1156 HydrophobicContact CB-CB 3.92Å; L1152-Q1156 HydrophobicContact CD1-CB 4.27Å; L1152-Q1156 HydrophobicContact CD2-CB 4.1Å; L1152-Q1156 HydrophobicContact CG-CB 4.33Å; S1153-Q1156 VanDerWaalsContact N-OE1 3.09Å; S1153-Q1156 WeakPolarHBondContact O-CB 3.35Å; S1153-Q1156 PolarHBondContact O-N 2.79Å; S1153-Q1156 VanDerWaalsContact OG-CG 3.31Å; S1153-Q1156 WeakPolarHBondContact OG-CG 3.38Å; S1153-Q1156 PolarHBondContact OG-N 3.35Å; Q1156-Q1158 VanDerWaalsContact C-N 3.34Å; Q1156-R1159 PolarHBondContact O-N 3.17Å; Q1156-I1160 PolarHBondContact O-N 3.22Å |
| 1157 | A | 79.5 | Confident | 76.2 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 5% | 0.05 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1098 I1100 L1152 S1153 G1154 I1160 A1161 | P1098-A1157 HydrophobicContact CG-CB 4.29Å; I1100-A1157 HydrophobicContact CD1-CB 3.95Å; I1100-A1157 HydrophobicContact CG1-CB 3.55Å; L1152-A1157 HydrophobicContact CB-CB 4.47Å; S1153-A1157 PolarHBondContact O-N 3.14Å; G1154-A1157 PolarHBondContact O-N 3.09Å; A1157-I1160 PolarHBondContact O-N 2.93Å; A1157-A1161 PolarHBondContact O-N 2.92Å |
| 1158 | Q | 79.2 | Confident | 77 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 178.9 | -148.2 | 126.3 | 62.3 | 0 | 0 | 112.6 | Q1096 G1154 G1155 Q1156 I1160 A1161 L1162 P1179 L1191 | Q1096-Q1158 PolarHBondContact O-NE2 3.23Å; G1154-Q1158 WeakPolarHBondContact O-CB 3.18Å; G1154-Q1158 PolarHBondContact O-N 2.79Å; G1155-Q1158 PolarHBondContact O-N 3.1Å; Q1156-Q1158 VanDerWaalsContact C-N 3.34Å; Q1158-I1160 VanDerWaalsContact C-N 3.32Å; Q1158-I1160 PolarHBondContact O-N 3.49Å; Q1158-A1161 PolarHBondContact O-N 2.97Å; Q1158-L1162 PolarHBondContact O-N 3.3Å; Q1158-P1179 VanDerWaalsContact CD-C 3.44Å; Q1158-P1179 WeakPolarHBondContact CG-O 3.36Å; Q1158-P1179 PolarHBondContact NE2-O 2.85Å; Q1158-P1179 PolarHBondContact OE1-O 3.04Å; Q1158-L1191 HydrophobicContact CB-CD1 4.48Å |
| 1159 | R | 82.8 | Confident | 77.9 | Confident | 24 Ų | 24 | 29 Ų | 29 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -39.2 | 171.5 | -74.3 | 178.6 | -166.2 | -149.1 | -2.8 | 112.2 | T1128 G1129 L1130 G1155 Q1156 L1162 A1163 E1190 L1191 R1194 | T1128-R1159 WeakPolarHBondContact O-CD 3.47Å; G1129-R1159 PolarHBondContact O-NH1 2.98Å; L1130-R1159 HydrophobicContact CD1-CB 4.27Å; L1130-R1159 HydrophobicContact CD2-CB 3.67Å; L1130-R1159 HydrophobicContact CG-CB 3.9Å; G1155-R1159 WeakPolarHBondContact O-CG 3.36Å; G1155-R1159 PolarHBondContact O-N 3.19Å; Q1156-R1159 PolarHBondContact O-N 3.17Å; R1159-L1162 PolarHBondContact O-N 2.96Å; R1159-A1163 WeakPolarHBondContact O-CB 3.19Å; R1159-A1163 PolarHBondContact O-N 2.98Å; R1159-E1190 IonicContact CZ-OE1 2.64Å; R1159-E1190 IonicContact CZ-OE2 2.71Å; R1159-E1190 IonicContact NH1-OE1 2.71Å; R1159-E1190 PolarHBondContact NH1-OE1 3.18Å; R1159-E1190 IonicContact NH1-OE2 2.76Å; R1159-E1190 PolarHBondContact NH1-OE2 3.28Å; R1159-E1190 IonicContact NH2-OE1 3.81Å; R1159-E1190 PolarHBondContact NH2-OE1 3.4Å; R1159-E1190 IonicContact NH2-OE2 2.69Å; R1159-E1190 PolarHBondContact NH2-OE2 3.31Å; R1159-L1191 HydrophobicContact CG-CD1 3.5Å; R1159-L1191 HydrophobicContact CG-CG 4.39Å; R1159-R1194 VanDerWaalsContact NH1-NH1 3.14Å |
| 1160 | I | 86.7 | Confident | 78.6 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.7 | -41.4 | 177.1 | -71.8 | 178.8 | 0 | 0 | 0 | 111.9 | I1100 V1105 N1108 I1109 L1130 L1145 L1152 Q1156 A1157 Q1158 L1162 A1163 R1164 | I1100-I1160 HydrophobicContact CD1-CB 4.24Å; I1100-I1160 HydrophobicContact CD1-CG2 3.98Å; V1105-I1160 HydrophobicContact CG1-CD1 4.18Å; N1108-I1160 HydrophobicContact CB-CG2 3.87Å; I1109-I1160 HydrophobicContact CG1-CG2 4.08Å; L1130-I1160 HydrophobicContact CD1-CG1 3.59Å; L1130-I1160 HydrophobicContact CD2-CG1 4.06Å; L1145-I1160 HydrophobicContact CD1-CD1 3.35Å; L1152-I1160 HydrophobicContact CD1-CD1 3.54Å; Q1156-I1160 PolarHBondContact O-N 3.22Å; A1157-I1160 PolarHBondContact O-N 2.93Å; Q1158-I1160 VanDerWaalsContact C-N 3.32Å; Q1158-I1160 PolarHBondContact O-N 3.49Å; I1160-L1162 VanDerWaalsContact C-N 3.31Å; I1160-L1162 PolarHBondContact O-N 2.9Å; I1160-A1163 WeakPolarHBondContact O-CB 3.06Å; I1160-A1163 PolarHBondContact O-N 2.88Å; I1160-A1163 VanDerWaalsContact O-N 3.13Å; I1160-R1164 PolarHBondContact O-N 3.35Å |
| 1161 | A | 83 | Confident | 79.4 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -37.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1094 P1098 A1157 Q1158 A1163 R1164 A1165 | I1094-A1161 HydrophobicContact CG1-CB 4.46Å; I1094-A1161 HydrophobicContact CG2-CB 4.3Å; P1098-A1161 HydrophobicContact CB-CB 3.53Å; P1098-A1161 HydrophobicContact CG-CB 4.29Å; A1157-A1161 PolarHBondContact O-N 2.92Å; Q1158-A1161 PolarHBondContact O-N 2.97Å; A1161-A1163 VanDerWaalsContact C-N 3.35Å; A1161-R1164 WeakPolarHBondContact O-CB 3.34Å; A1161-R1164 PolarHBondContact O-N 2.78Å; A1161-A1165 PolarHBondContact O-N 2.75Å |
| 1162 | L | 84.6 | Confident | 80.3 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.5 | -37 | 171.4 | -177.3 | 60 | 0 | 0 | 0 | 112.1 | T1128 Q1158 R1159 I1160 A1165 F1166 L1191 M1195 L1198 | T1128-L1162 HydrophobicContact CG2-CB 4.2Å; T1128-L1162 HydrophobicContact CG2-CD2 4.16Å; T1128-L1162 HydrophobicContact CG2-CG 3.97Å; Q1158-L1162 PolarHBondContact O-N 3.3Å; R1159-L1162 PolarHBondContact O-N 2.96Å; I1160-L1162 VanDerWaalsContact C-N 3.31Å; I1160-L1162 PolarHBondContact O-N 2.9Å; L1162-A1165 PolarHBondContact O-N 3.43Å; L1162-A1165 VanDerWaalsContact O-N 3.13Å; L1162-F1166 HydrophobicContact CD1-CD2 4.1Å; L1162-F1166 HydrophobicContact CD1-CE2 4.04Å; L1162-F1166 HydrophobicContact CD2-CE2 4.43Å; L1162-F1166 HydrophobicContact CG-CD2 4Å; L1162-F1166 HydrophobicContact CG-CE2 4.1Å; L1162-F1166 PolarHBondContact O-N 3.41Å; L1162-L1191 HydrophobicContact CD2-CD2 3.93Å; L1162-L1191 HydrophobicContact CD2-CG 4.28Å; L1162-M1195 HydrophobicContact CD1-CG 3.82Å; L1162-M1195 HydrophobicContact CD2-CG 3.52Å; L1162-M1195 HydrophobicContact CG-CG 4.32Å; L1162-L1198 HydrophobicContact CD1-CD2 4.12Å |
| 1163 | A | 87.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1109 A1124 T1128 L1130 R1159 I1160 A1161 A1165 F1166 L1167 | I1109-A1163 HydrophobicContact CB-CB 4.44Å; I1109-A1163 HydrophobicContact CD1-CB 3.79Å; I1109-A1163 HydrophobicContact CG1-CB 3.8Å; I1109-A1163 HydrophobicContact CG2-CB 3.91Å; A1124-A1163 HydrophobicContact CB-CB 4.27Å; T1128-A1163 HydrophobicContact CG2-CB 3.84Å; L1130-A1163 HydrophobicContact CD1-CB 4.36Å; R1159-A1163 WeakPolarHBondContact O-CB 3.19Å; R1159-A1163 PolarHBondContact O-N 2.98Å; I1160-A1163 WeakPolarHBondContact O-CB 3.06Å; I1160-A1163 PolarHBondContact O-N 2.88Å; I1160-A1163 VanDerWaalsContact O-N 3.13Å; A1161-A1163 VanDerWaalsContact C-N 3.35Å; A1163-A1165 PolarHBondContact O-N 2.8Å; A1163-F1166 PolarHBondContact O-N 3.28Å; A1163-L1167 WeakPolarHBondContact O-CB 3.1Å; A1163-L1167 PolarHBondContact O-N 3.17Å; A1163-L1167 VanDerWaalsContact O-N 3.17Å |
| 1164 | R | 85.8 | Confident | 81.9 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.6 | -42.2 | 169.1 | -65 | 175.8 | -176.6 | 169 | 5.7 | 111.8 | Y1099 N1108 I1109 Y1112 I1160 A1161 D1168 D1294 | Y1099-R1164 PolarHBondContact O-NH1 2.94Å; Y1099-R1164 PolarHBondContact O-NH2 2.78Å; N1108-R1164 WeakPolarHBondContact O-CD 3.41Å; N1108-R1164 WeakPolarHBondContact O-CG 3.17Å; N1108-R1164 PolarHBondContact O-NE 2.93Å; N1108-R1164 PolarHBondContact OD1-NH2 2.96Å; I1109-R1164 WeakPolarHBondContact O-CA 3.32Å; Y1112-R1164 HydrophobicContact CD2-CB 3.88Å; Y1112-R1164 HydrophobicContact CE2-CB 4.37Å; I1160-R1164 PolarHBondContact O-N 3.35Å; A1161-R1164 WeakPolarHBondContact O-CB 3.34Å; A1161-R1164 PolarHBondContact O-N 2.78Å; R1164-D1168 PolarHBondContact O-N 2.7Å; R1164-D1294 IonicContact NH1-OD2 3.78Å; R1164-D1294 PolarHBondContact NH1-OD2 3.09Å; R1164-D1294 VanDerWaalsContact NH1-OD2 3.08Å |
| 1165 | A | 82.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -78.8 | -27.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1092 I1094 A1161 L1162 A1163 L1198 | I1092-A1165 HydrophobicContact CD1-CB 4.15Å; I1092-A1165 HydrophobicContact CG2-CB 3.77Å; I1094-A1165 HydrophobicContact CD1-CB 3.79Å; A1161-A1165 PolarHBondContact O-N 2.75Å; L1162-A1165 PolarHBondContact O-N 3.43Å; L1162-A1165 VanDerWaalsContact O-N 3.13Å; A1163-A1165 PolarHBondContact O-N 2.8Å; A1165-L1198 HydrophobicContact CB-CD2 3.73Å |
| 1166 | F | 83.6 | Confident | 83.5 | Confident | 28 Ų | 28 | 23.6 Ų | 23.6 | 12% | 0.123 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.9 | -29.1 | 173.4 | -99.8 | -71.1 | 0 | 0 | 0 | 113.9 | V1127 T1128 L1162 A1163 Q1169 R1194 L1198 | V1127-F1166 HydrophobicContact CG1-CD1 4.04Å; V1127-F1166 HydrophobicContact CG1-CD2 4.12Å; V1127-F1166 HydrophobicContact CG1-CE1 3.81Å; V1127-F1166 HydrophobicContact CG1-CE2 3.89Å; V1127-F1166 HydrophobicContact CG1-CG 4.18Å; V1127-F1166 HydrophobicContact CG1-CZ 3.72Å; T1128-F1166 HydrophobicContact CG2-CD2 4.25Å; L1162-F1166 HydrophobicContact CD1-CD2 4.1Å; L1162-F1166 HydrophobicContact CD1-CE2 4.04Å; L1162-F1166 HydrophobicContact CD2-CE2 4.43Å; L1162-F1166 HydrophobicContact CG-CD2 4Å; L1162-F1166 HydrophobicContact CG-CE2 4.1Å; L1162-F1166 PolarHBondContact O-N 3.41Å; A1163-F1166 PolarHBondContact O-N 3.28Å; F1166-Q1169 PolarHBondContact O-NE2 2.93Å; F1166-R1194 WeakPolarHBondContact CE2-O 3.21Å; F1166-R1194 WeakPolarHBondContact CZ-O 3.06Å; F1166-L1198 HydrophobicContact CD1-CD1 4.25Å; F1166-L1198 HydrophobicContact CD2-CD2 4.41Å; F1166-L1198 HydrophobicContact CE1-CB 3.92Å; F1166-L1198 HydrophobicContact CE1-CD1 4.38Å; F1166-L1198 HydrophobicContact CE2-CB 4.02Å; F1166-L1198 HydrophobicContact CE2-CD2 4.47Å; F1166-L1198 HydrophobicContact CZ-CB 3.65Å |
| 1167 | L | 84.6 | Confident | 83.6 | Confident | 22 Ų | 22 | 21.1 Ų | 21.1 | 12% | 0.115 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -76.2 | -42.1 | -178.2 | -157.8 | 77.9 | 0 | 0 | 0 | 112 | I1109 A1110 H1113 A1116 E1120 I1121 A1124 A1163 Q1169 | I1109-L1167 HydrophobicContact CG2-CD2 4.16Å; A1110-L1167 HydrophobicContact CB-CD2 4.18Å; H1113-L1167 HydrophobicContact CB-CD2 4.43Å; A1116-L1167 HydrophobicContact CB-CD1 3.91Å; A1116-L1167 HydrophobicContact CB-CD2 3.5Å; A1116-L1167 HydrophobicContact CB-CG 3.79Å; E1120-L1167 HydrophobicContact CB-CD1 3.93Å; E1120-L1167 WeakPolarHBondContact O-CD1 3.45Å; I1121-L1167 HydrophobicContact CG1-CD1 4.05Å; I1121-L1167 HydrophobicContact CG1-CD2 4.26Å; A1124-L1167 HydrophobicContact CB-CD1 4.13Å; A1163-L1167 WeakPolarHBondContact O-CB 3.1Å; A1163-L1167 PolarHBondContact O-N 3.17Å; A1163-L1167 VanDerWaalsContact O-N 3.17Å; L1167-Q1169 PolarHBondContact O-N 3.35Å |
| 1168 | D | 80.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | trans | -89.5 | 92.6 | 177.7 | -172.3 | -11.8 | 0 | 0 | 0 | 111.5 | H1113 R1164 E1170 R1171 | H1113-D1168 HydrophobicContact CB-CB 4.15Å; R1164-D1168 PolarHBondContact O-N 2.7Å; D1168-E1170 PolarHBondContact OD1-N 2.93Å; D1168-R1171 PolarHBondContact OD1-N 3.47Å; D1168-R1171 WeakPolarHBondContact OD2-CD 3.4Å; D1168-R1171 WeakPolarHBondContact OD2-CG 3.34Å; D1168-R1171 IonicContact OD2-CZ 2.81Å; D1168-R1171 IonicContact OD2-NE 3.73Å; D1168-R1171 IonicContact OD2-NH1 3.66Å; D1168-R1171 PolarHBondContact OD2-NH1 2.6Å | ||
| 1169 | Q | 76 | Confident | 83.4 | Confident | 122 Ų | 122 | 20.8 Ų | 20.8 | 57% | 0.57 | 10% | 0.096 | S | C | * | . | trans | -90.1 | 5 | 175.4 | -56.9 | -165.6 | 5.9 | 0 | 0 | 113.8 | F1166 L1167 K1172 | F1166-Q1169 PolarHBondContact O-NE2 2.93Å; L1167-Q1169 PolarHBondContact O-N 3.35Å; Q1169-K1172 VanDerWaalsContact O-CE 3.26Å; Q1169-K1172 WeakPolarHBondContact O-CE 3.5Å; Q1169-K1172 PolarHBondContact O-NZ 3.28Å | ||
| 1170 | E | 78.5 | Confident | 82.9 | Confident | 147 Ų | 147 | 19.7 Ų | 19.7 | 69% | 0.687 | 9% | 0.091 | S | C | * | . | S | Bend | trans | -83.8 | -38 | 177.1 | -61.8 | -167.7 | 154.5 | 0 | 0 | 111.2 | D1168 K1172 | D1168-E1170 PolarHBondContact OD1-N 2.93Å; E1170-K1172 PolarHBondContact O-N 3.43Å |
| 1171 | R | 83 | Confident | 81.9 | Confident | 24 Ų | 24 | 20.1 Ų | 20.1 | 9% | 0.091 | 10% | 0.095 | C | C | . | . | trans | -72.5 | 105.1 | 179.7 | -71.5 | -172.1 | 163.3 | 104.3 | -4 | 112.5 | E1089 Q1090 I1092 Y1112 D1168 I1173 H1202 S1298 | E1089-R1171 WeakPolarHBondContact O-CG 3.44Å; E1089-R1171 PolarHBondContact O-NE 2.9Å; Q1090-R1171 CarbonylContact O-C 3.6Å; Q1090-R1171 VanDerWaalsContact O-C 3.29Å; Q1090-R1171 WeakPolarHBondContact O-CA 3.41Å; Q1090-R1171 WeakPolarHBondContact O-CB 3.38Å; I1092-R1171 HydrophobicContact CD1-CB 3.94Å; I1092-R1171 HydrophobicContact CG1-CB 3.42Å; I1092-R1171 VanDerWaalsContact CG1-CB 3.42Å; I1092-R1171 HydrophobicContact CG1-CG 4.28Å; Y1112-R1171 PolarHBondContact O-NH1 2.81Å; Y1112-R1171 VanDerWaalsContact O-NH1 3.12Å; D1168-R1171 PolarHBondContact OD1-N 3.47Å; D1168-R1171 WeakPolarHBondContact OD2-CD 3.4Å; D1168-R1171 WeakPolarHBondContact OD2-CG 3.34Å; D1168-R1171 IonicContact OD2-CZ 2.81Å; D1168-R1171 IonicContact OD2-NE 3.73Å; D1168-R1171 IonicContact OD2-NH1 3.66Å; D1168-R1171 PolarHBondContact OD2-NH1 2.6Å; R1171-I1173 PolarHBondContact O-N 3.45Å; R1171-H1202 PolarHBondContact O-CD2 2.78Å; R1171-H1202 PolarHBondContact O-NE2 3.3Å; R1171-S1298 PolarHBondContact NH2-O 3.42Å | ||
| 1172 | K | 86.2 | Confident | 80.9 | Confident | 39 Ų | 39 | 23.6 Ų | 23.6 | 17% | 0.17 | 11% | 0.111 | C | C | . | . | trans | -86.5 | 3.5 | -171.3 | -67.7 | -40 | -168.4 | -171.5 | 0 | 117.4 | W1012 Y1041 Q1090 Q1169 E1170 H1202 L1203 | W1012-K1172 HydrophobicContact CB-CB 4Å; Y1041-K1172 HydrophobicContact CE1-CB 4.43Å; Q1090-K1172 PolarHBondContact O-N 2.81Å; Q1090-K1172 VanDerWaalsContact O-N 3.12Å; Q1169-K1172 VanDerWaalsContact O-CE 3.26Å; Q1169-K1172 WeakPolarHBondContact O-CE 3.5Å; Q1169-K1172 PolarHBondContact O-NZ 3.28Å; E1170-K1172 PolarHBondContact O-N 3.43Å; K1172-H1202 PolarHBondContact NZ-NE2 2.79Å; K1172-L1203 PolarHBondContact O-N 3.34Å | ||
| 1173 | I | 87.7 | Confident | 80 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.2 | 175.9 | -51.6 | -178.8 | 0 | 0 | 0 | 108.8 | W1012 W1087 Q1090 L1091 I1092 R1171 L1175 L1203 | W1012-I1173 HydrophobicContact CB-CD1 4.22Å; W1012-I1173 HydrophobicContact CB-CG1 3.98Å; W1012-I1173 HydrophobicContact CD2-CD1 4.4Å; W1012-I1173 HydrophobicContact CD2-CG1 4.46Å; W1012-I1173 HydrophobicContact CE3-CD1 4.18Å; W1012-I1173 HydrophobicContact CG-CD1 4.4Å; W1012-I1173 HydrophobicContact CG-CG1 4.09Å; W1087-I1173 HydrophobicContact CE3-CD1 4.05Å; W1087-I1173 HydrophobicContact CH2-CD1 3.52Å; W1087-I1173 HydrophobicContact CZ2-CD1 4.04Å; W1087-I1173 HydrophobicContact CZ3-CD1 3.52Å; Q1090-I1173 PolarHBondContact O-N 3.42Å; L1091-I1173 CarbonylContact C-O 3.57Å; L1091-I1173 WeakPolarHBondContact CA-O 3.41Å; L1091-I1173 HydrophobicContact CG-CG2 4.43Å; I1092-I1173 PolarHBondContact N-O 2.81Å; R1171-I1173 PolarHBondContact O-N 3.45Å; I1173-L1175 HydrophobicContact CG2-CD2 4.5Å; I1173-L1203 CarbonylContact C-O 3.59Å; I1173-L1203 WeakPolarHBondContact CA-O 3.3Å; I1173-L1203 HydrophobicContact CD1-CD2 4.24Å; I1173-L1203 HydrophobicContact CG1-CB 4.36Å; I1173-L1203 HydrophobicContact CG1-CD2 4.13Å; I1173-L1203 HydrophobicContact CG2-CD2 4.08Å; I1173-L1203 HydrophobicContact CG2-CG 4.22Å |
| 1174 | V | 87 | Confident | 79 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.3 | 176.7 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | I1092 F1176 H1202 L1203 V1204 F1205 | I1092-V1174 HydrophobicContact CB-CG1 4.42Å; I1092-V1174 HydrophobicContact CB-CG2 4.25Å; I1092-V1174 HydrophobicContact CD1-CG2 4.21Å; I1092-V1174 HydrophobicContact CG1-CG2 4.39Å; I1092-V1174 CarbonylContact O-C 3.54Å; I1092-V1174 WeakPolarHBondContact O-CA 3.29Å; V1174-F1176 HydrophobicContact CB-CE2 4.27Å; V1174-F1176 HydrophobicContact CG1-CD1 4.37Å; V1174-F1176 HydrophobicContact CG1-CD2 3.78Å; V1174-F1176 HydrophobicContact CG1-CE1 4.08Å; V1174-F1176 HydrophobicContact CG1-CE2 3.45Å; V1174-F1176 VanDerWaalsContact CG1-CE2 3.45Å; V1174-F1176 HydrophobicContact CG1-CG 4.23Å; V1174-F1176 HydrophobicContact CG1-CZ 3.61Å; V1174-H1202 HydrophobicContact CG2-CB 3.87Å; V1174-L1203 PolarHBondContact N-O 2.69Å; V1174-V1204 WeakPolarHBondContact O-CA 3.5Å; V1174-F1205 PolarHBondContact O-N 3.06Å |
| 1175 | L | 88.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 108.7 | 169 | -59.5 | -166.5 | 0 | 0 | 0 | 108.4 | I1058 L1091 I1092 Y1093 I1094 I1173 F1205 | I1058-L1175 HydrophobicContact CG2-CD1 4.26Å; L1091-L1175 HydrophobicContact CD1-CD1 3.88Å; L1091-L1175 HydrophobicContact CD1-CG 4Å; L1091-L1175 HydrophobicContact CD2-CB 4.44Å; L1091-L1175 HydrophobicContact CD2-CD1 3.99Å; L1091-L1175 HydrophobicContact CD2-CG 3.92Å; L1091-L1175 HydrophobicContact CG-CD1 4.32Å; L1091-L1175 HydrophobicContact CG-CG 4.04Å; I1092-L1175 PolarHBondContact O-N 3.24Å; Y1093-L1175 HydrophobicContact CD2-CB 3.89Å; Y1093-L1175 WeakPolarHBondContact CD2-O 3.38Å; I1094-L1175 PolarHBondContact N-O 3.4Å; I1173-L1175 HydrophobicContact CG2-CD2 4.5Å; L1175-F1205 HydrophobicContact CD2-CB 3.6Å; L1175-F1205 HydrophobicContact CD2-CD2 3.44Å; L1175-F1205 VanDerWaalsContact CD2-CD2 3.44Å; L1175-F1205 HydrophobicContact CD2-CE2 4.34Å; L1175-F1205 HydrophobicContact CD2-CG 3.8Å |
| 1176 | F | 87 | Confident | 77.1 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126 | 164.9 | -58.1 | -84.9 | 0 | 0 | 0 | 109.3 | I1058 I1094 V1174 P1179 M1195 M1199 V1204 F1205 F1206 A1207 | I1058-F1176 WeakPolarHBondContact CD1-O 2.93Å; I1094-F1176 HydrophobicContact CB-CD1 3.83Å; I1094-F1176 HydrophobicContact CB-CE1 4.39Å; I1094-F1176 HydrophobicContact CD1-CD1 3.81Å; I1094-F1176 HydrophobicContact CD1-CE1 3.44Å; I1094-F1176 VanDerWaalsContact CD1-CE1 3.44Å; I1094-F1176 HydrophobicContact CD1-CZ 4.45Å; I1094-F1176 HydrophobicContact CG1-CD1 4.36Å; I1094-F1176 HydrophobicContact CG1-CE1 4.44Å; I1094-F1176 HydrophobicContact CG2-CD1 4.03Å; I1094-F1176 WeakPolarHBondContact O-CA 3.32Å; V1174-F1176 HydrophobicContact CB-CE2 4.27Å; V1174-F1176 HydrophobicContact CG1-CD1 4.37Å; V1174-F1176 HydrophobicContact CG1-CD2 3.78Å; V1174-F1176 HydrophobicContact CG1-CE1 4.08Å; V1174-F1176 HydrophobicContact CG1-CE2 3.45Å; V1174-F1176 VanDerWaalsContact CG1-CE2 3.45Å; V1174-F1176 HydrophobicContact CG1-CG 4.23Å; V1174-F1176 HydrophobicContact CG1-CZ 3.61Å; F1176-P1179 HydrophobicContact CB-CB 3.96Å; F1176-P1179 HydrophobicContact CB-CG 3.64Å; F1176-P1179 HydrophobicContact CD1-CB 3.8Å; F1176-P1179 HydrophobicContact CD1-CG 4.06Å; F1176-P1179 HydrophobicContact CG-CB 4.25Å; F1176-P1179 HydrophobicContact CG-CG 4.07Å; F1176-M1195 HydrophobicContact CD1-CE 3.64Å; F1176-M1195 HydrophobicContact CE1-CE 3.21Å; F1176-M1195 HydrophobicContact CE2-CE 4.15Å; F1176-M1195 HydrophobicContact CG-CE 4.28Å; F1176-M1195 HydrophobicContact CZ-CE 3.5Å; F1176-M1195 VanDerWaalsContact CZ-CE 3.5Å; F1176-M1199 HydrophobicContact CE2-CG 4.43Å; F1176-V1204 HydrophobicContact CD2-CG1 3.56Å; F1176-V1204 HydrophobicContact CE2-CG1 3.58Å; F1176-F1205 PolarHBondContact N-O 3.23Å; F1176-F1206 HydrophobicContact CB-CD2 4.29Å; F1176-F1206 HydrophobicContact CB-CG 4.28Å; F1176-F1206 HydrophobicContact CD2-CB 4.49Å; F1176-F1206 AromaticContact CD2-CD2 3.38Å; F1176-F1206 HydrophobicContact CD2-CD2 3.38Å; F1176-F1206 AromaticContact CD2-CE2 3.85Å; F1176-F1206 HydrophobicContact CD2-CE2 3.85Å; F1176-F1206 HydrophobicContact CD2-CG 4.07Å; F1176-F1206 AromaticContact CE2-CD2 3.84Å; F1176-F1206 HydrophobicContact CE2-CD2 3.84Å; F1176-F1206 HydrophobicContact CE2-CE2 4.06Å; F1176-F1206 HydrophobicContact CG-CD2 4.02Å; F1176-F1206 HydrophobicContact CG-CE2 4.22Å; F1176-F1206 HydrophobicContact CG-CG 4.49Å; F1176-A1207 PolarHBondContact O-N 3.05Å |
| 1177 | D | 83.6 | Confident | 76.3 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.4 | 163.5 | -158 | 11.3 | 0 | 0 | 0 | 109.8 | S1055 I1058 Y1093 I1094 P1095 Q1096 P1179 A1207 | S1055-D1177 WeakPolarHBondContact CB-OD2 3.44Å; S1055-D1177 PolarHBondContact OG-OD2 3.05Å; I1058-D1177 HydrophobicContact CD1-CB 3.64Å; Y1093-D1177 HydrophobicContact CE2-CB 4.29Å; I1094-D1177 PolarHBondContact O-N 3.28Å; P1095-D1177 CarbonylContact C-O 3.35Å; P1095-D1177 VanDerWaalsContact C-O 3.3Å; Q1096-D1177 WeakPolarHBondContact CA-O 3.43Å; Q1096-D1177 PolarHBondContact N-O 3.47Å; D1177-P1179 VanDerWaalsContact O-N 3.16Å; D1177-A1207 VanDerWaalsContact OD1-CB 3.29Å; D1177-A1207 WeakPolarHBondContact OD1-CB 3.36Å |
| 1178 | E | 77.7 | Confident | 75.5 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 38.4 | 51.8 | 179.5 | -69.9 | -147.8 | -163.1 | 0 | 0 | 116.6 | K1054 Q1096 T1180 A1181 A1207 H1209 T1245 | K1054-E1178 WeakPolarHBondContact CE-OE1 3.36Å; K1054-E1178 IonicContact NZ-OE1 2.8Å; K1054-E1178 PolarHBondContact NZ-OE1 2.87Å; Q1096-E1178 HydrophobicContact CB-CB 4.05Å; Q1096-E1178 HydrophobicContact CG-CB 3.65Å; Q1096-E1178 VanDerWaalsContact NE2-CD 3.3Å; Q1096-E1178 PolarHBondContact NE2-OE2 3.48Å; E1178-T1180 PolarHBondContact O-N 2.82Å; E1178-A1181 HydrophobicContact CB-CB 4.05Å; E1178-A1181 WeakPolarHBondContact O-CB 3.22Å; E1178-A1181 PolarHBondContact O-N 2.85Å; E1178-A1181 VanDerWaalsContact O-N 3.16Å; E1178-A1207 WeakPolarHBondContact CA-O 3.43Å; E1178-A1207 PolarHBondContact N-O 3.26Å; E1178-H1209 IonicContact OE2-CE1 3.36Å; E1178-H1209 IonicContact OE2-CG 3.86Å; E1178-H1209 IonicContact OE2-ND1 2.72Å; E1178-H1209 PolarHBondContact OE2-ND1 2.87Å; E1178-T1245 PolarHBondContact OE1-N 3.28Å |
| 1179 | P | 75.2 | Confident | 75.2 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 10.7 | -163.3 | 38.4 | -44.5 | 0 | 0 | 0 | 115.6 | I1094 Q1158 F1176 D1177 M1195 F1206 A1207 | I1094-P1179 HydrophobicContact CG2-CB 4.3Å; Q1158-P1179 VanDerWaalsContact CD-C 3.44Å; Q1158-P1179 WeakPolarHBondContact CG-O 3.36Å; Q1158-P1179 PolarHBondContact NE2-O 2.85Å; Q1158-P1179 PolarHBondContact OE1-O 3.04Å; F1176-P1179 HydrophobicContact CB-CB 3.96Å; F1176-P1179 HydrophobicContact CB-CG 3.64Å; F1176-P1179 HydrophobicContact CD1-CB 3.8Å; F1176-P1179 HydrophobicContact CD1-CG 4.06Å; F1176-P1179 HydrophobicContact CG-CB 4.25Å; F1176-P1179 HydrophobicContact CG-CG 4.07Å; D1177-P1179 VanDerWaalsContact O-N 3.16Å; P1179-M1195 HydrophobicContact CB-CE 4.23Å; P1179-M1195 HydrophobicContact CG-CE 4.1Å; P1179-F1206 HydrophobicContact CG-CD1 4.09Å; P1179-F1206 HydrophobicContact CG-CE1 3.38Å; P1179-F1206 HydrophobicContact CG-CE2 4.15Å; P1179-F1206 HydrophobicContact CG-CZ 3.41Å; P1179-F1206 VanDerWaalsContact CG-CZ 3.41Å; P1179-A1207 VanDerWaalsContact CD-O 3.22Å; P1179-A1207 WeakPolarHBondContact CD-O 3.41Å |
| 1180 | T | 73.4 | Confident | 75 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | 9.9 | 173.4 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | E1178 H1182 L1183 E1188 W1213 | E1178-T1180 PolarHBondContact O-N 2.82Å; T1180-H1182 PolarHBondContact O-N 3.01Å; T1180-L1183 HydrophobicContact CG2-CD1 3.77Å; T1180-L1183 PolarHBondContact O-N 2.86Å; T1180-L1183 VanDerWaalsContact O-N 3.08Å; T1180-E1188 WeakPolarHBondContact CB-OE1 3.32Å; T1180-E1188 HydrophobicContact CG2-CG 4.15Å; T1180-E1188 PolarHBondContact OG1-OE1 2.76Å; T1180-W1213 HydrophobicContact CG2-CZ2 3.67Å; T1180-W1213 PolarHBondContact OG1-NE1 2.83Å; T1180-W1213 VanDerWaalsContact OG1-NE1 3.08Å |
| 1181 | A | 65.3 | Low | 74.9 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1096 E1178 H1209 R1210 | Q1096-A1181 HydrophobicContact CG-CB 4.43Å; E1178-A1181 HydrophobicContact CB-CB 4.05Å; E1178-A1181 WeakPolarHBondContact O-CB 3.22Å; E1178-A1181 PolarHBondContact O-N 2.85Å; E1178-A1181 VanDerWaalsContact O-N 3.16Å; A1181-H1209 WeakPolarHBondContact CA-CE1 3.36Å; A1181-H1209 WeakPolarHBondContact CB-CE1 3.47Å; A1181-H1209 VanDerWaalsContact CB-ND1 3.34Å; A1181-H1209 WeakPolarHBondContact CB-ND1 3.23Å; A1181-H1209 PolarHBondContact O-CE1 2.73Å; A1181-R1210 PolarHBondContact O-NH2 3.47Å |
| 1182 | H | 62.1 | Low | 74.7 | Confident | 74 Ų | 74 | 35.2 Ų | 35.2 | 34% | 0.343 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 2.5 | -178.4 | -89.2 | -69.6 | 0 | 0 | 0 | 115.1 | T1180 S1248 | T1180-H1182 PolarHBondContact O-N 3.01Å; H1182-S1248 PolarHBondContact CD2-OG 2.89Å; H1182-S1248 PolarHBondContact CE1-OG 2.77Å; H1182-S1248 VanDerWaalsContact NE2-CB 3.33Å; H1182-S1248 WeakPolarHBondContact NE2-CB 3.41Å; H1182-S1248 PolarHBondContact NE2-N 3.24Å; H1182-S1248 PolarHBondContact NE2-OG 3.4Å |
| 1183 | L | 65.9 | Low | 74.3 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | trans | -80.5 | 140.2 | -177 | -56.8 | -176.4 | 0 | 0 | 0 | 110.9 | T1180 T1187 E1188 L1191 R1210 | T1180-L1183 HydrophobicContact CG2-CD1 3.77Å; T1180-L1183 PolarHBondContact O-N 2.86Å; T1180-L1183 VanDerWaalsContact O-N 3.08Å; L1183-T1187 HydrophobicContact CD2-CG2 3.89Å; L1183-E1188 HydrophobicContact CB-CB 3.83Å; L1183-E1188 HydrophobicContact CD1-CB 4.09Å; L1183-E1188 HydrophobicContact CD1-CG 4.36Å; L1183-L1191 HydrophobicContact CD1-CB 4.18Å; L1183-L1191 HydrophobicContact CD1-CD1 3.96Å; L1183-L1191 HydrophobicContact CD1-CD2 4.48Å; L1183-L1191 HydrophobicContact CD1-CG 4.44Å; L1183-R1210 PolarHBondContact O-NH1 3.39Å; L1183-R1210 PolarHBondContact O-NH2 2.86Å | ||
| 1184 | D | 65 | Low | 73.9 | Confident | 86 Ų | 86 | 42.9 Ų | 42.9 | 46% | 0.46 | 21% | 0.212 | S | C | . | . | trans | -64.6 | 162.2 | 155.3 | 65.7 | 87.9 | 0 | 0 | 0 | 110.1 | E1186 T1187 E1188 | D1184-E1186 PolarHBondContact O-N 2.79Å; D1184-E1186 PolarHBondContact OD1-N 3Å; D1184-T1187 VanDerWaalsContact CG-OG1 3.25Å; D1184-T1187 PolarHBondContact O-N 3Å; D1184-T1187 WeakPolarHBondContact OD1-CB 3.45Å; D1184-T1187 PolarHBondContact OD1-N 3.26Å; D1184-T1187 PolarHBondContact OD1-OG1 3.44Å; D1184-T1187 VanDerWaalsContact OD1-OG1 3.08Å; D1184-T1187 WeakPolarHBondContact OD2-CB 3.4Å; D1184-T1187 PolarHBondContact OD2-OG1 3.41Å; D1184-E1188 WeakPolarHBondContact O-CB 3.32Å; D1184-E1188 PolarHBondContact O-N 3.4Å | ||
| 1185 | I | 64.4 | Low | 73.6 | Confident | 130 Ų | 130 | 43 Ų | 43 | 67% | 0.667 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -69 | -32.7 | -170.3 | -62.2 | 172.9 | 0 | 0 | 0 | 112 | V1189 | I1185-V1189 WeakPolarHBondContact O-CG2 3.47Å; I1185-V1189 PolarHBondContact O-N 2.8Å; I1185-V1189 VanDerWaalsContact O-N 3.14Å |
| 1186 | E | 63.9 | Low | 73.4 | Confident | 167 Ų | 167 | 44.9 Ų | 44.9 | 78% | 0.78 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -69.4 | -47.6 | 178.4 | -61.6 | -172.8 | 153.6 | 0 | 0 | 110.2 | D1184 E1188 V1189 E1190 | D1184-E1186 PolarHBondContact O-N 2.79Å; D1184-E1186 PolarHBondContact OD1-N 3Å; E1186-E1188 VanDerWaalsContact C-N 3.35Å; E1186-E1188 PolarHBondContact O-N 2.71Å; E1186-V1189 PolarHBondContact O-N 3.37Å; E1186-E1190 PolarHBondContact O-N 2.93Å |
| 1187 | T | 66.4 | Low | 73.2 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -35.7 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | L1183 D1184 L1191 | L1183-T1187 HydrophobicContact CD2-CG2 3.89Å; D1184-T1187 VanDerWaalsContact CG-OG1 3.25Å; D1184-T1187 PolarHBondContact O-N 3Å; D1184-T1187 WeakPolarHBondContact OD1-CB 3.45Å; D1184-T1187 PolarHBondContact OD1-N 3.26Å; D1184-T1187 PolarHBondContact OD1-OG1 3.44Å; D1184-T1187 VanDerWaalsContact OD1-OG1 3.08Å; D1184-T1187 WeakPolarHBondContact OD2-CB 3.4Å; D1184-T1187 PolarHBondContact OD2-OG1 3.41Å; T1187-L1191 VanDerWaalsContact O-CB 3.31Å; T1187-L1191 WeakPolarHBondContact O-CB 3.23Å; T1187-L1191 PolarHBondContact O-N 3.02Å; T1187-L1191 VanDerWaalsContact O-N 3.1Å |
| 1188 | E | 69.4 | Low | 73.1 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 177.5 | -176.3 | 165.8 | -149.4 | 0 | 0 | 112.2 | T1180 L1183 D1184 E1186 L1191 K1192 R1210 H1212 W1213 | T1180-E1188 WeakPolarHBondContact CB-OE1 3.32Å; T1180-E1188 HydrophobicContact CG2-CG 4.15Å; T1180-E1188 PolarHBondContact OG1-OE1 2.76Å; L1183-E1188 HydrophobicContact CB-CB 3.83Å; L1183-E1188 HydrophobicContact CD1-CB 4.09Å; L1183-E1188 HydrophobicContact CD1-CG 4.36Å; D1184-E1188 WeakPolarHBondContact O-CB 3.32Å; D1184-E1188 PolarHBondContact O-N 3.4Å; E1186-E1188 VanDerWaalsContact C-N 3.35Å; E1186-E1188 PolarHBondContact O-N 2.71Å; E1188-L1191 PolarHBondContact O-N 3Å; E1188-K1192 WeakPolarHBondContact O-CB 3.31Å; E1188-K1192 PolarHBondContact O-N 3.36Å; E1188-R1210 WeakPolarHBondContact OE1-CB 3.39Å; E1188-R1210 VanDerWaalsContact OE1-CG 3.26Å; E1188-R1210 WeakPolarHBondContact OE1-CG 3.22Å; E1188-R1210 WeakPolarHBondContact OE2-CD 3.32Å; E1188-R1210 IonicContact OE2-CZ 3.72Å; E1188-R1210 IonicContact OE2-NE 3.28Å; E1188-R1210 IonicContact OE2-NH1 2.8Å; E1188-R1210 PolarHBondContact OE2-NH1 3.31Å; E1188-H1212 IonicContact OE1-CE1 3.44Å; E1188-H1212 PolarHBondContact OE1-CE1 2.88Å; E1188-H1212 IonicContact OE1-NE2 2.6Å; E1188-H1212 IonicContact OE2-CE1 2.84Å; E1188-H1212 IonicContact OE2-NE2 3.26Å; E1188-W1213 PolarHBondContact OE1-NE1 2.96Å |
| 1189 | V | 73.4 | Confident | 73.4 | Confident | 71 Ų | 71 | 48.1 Ų | 48.1 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | I1185 E1186 L1191 K1192 E1193 | I1185-V1189 WeakPolarHBondContact O-CG2 3.47Å; I1185-V1189 PolarHBondContact O-N 2.8Å; I1185-V1189 VanDerWaalsContact O-N 3.14Å; E1186-V1189 PolarHBondContact O-N 3.37Å; V1189-L1191 PolarHBondContact O-N 2.79Å; V1189-K1192 PolarHBondContact O-N 3.42Å; V1189-K1192 VanDerWaalsContact O-N 3.15Å; V1189-E1193 PolarHBondContact O-N 2.97Å |
| 1190 | E | 72.5 | Confident | 73.8 | Confident | 71 Ų | 71 | 54.4 Ų | 54.4 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.6 | -33.7 | 177.3 | -158.7 | -162 | 147.6 | 0 | 0 | 112 | R1159 E1186 R1194 | R1159-E1190 IonicContact CZ-OE1 2.64Å; R1159-E1190 IonicContact CZ-OE2 2.71Å; R1159-E1190 IonicContact NH1-OE1 2.71Å; R1159-E1190 PolarHBondContact NH1-OE1 3.18Å; R1159-E1190 IonicContact NH1-OE2 2.76Å; R1159-E1190 PolarHBondContact NH1-OE2 3.28Å; R1159-E1190 IonicContact NH2-OE1 3.81Å; R1159-E1190 PolarHBondContact NH2-OE1 3.4Å; R1159-E1190 IonicContact NH2-OE2 2.69Å; R1159-E1190 PolarHBondContact NH2-OE2 3.31Å; E1186-E1190 PolarHBondContact O-N 2.93Å; E1190-R1194 VanDerWaalsContact O-CD 3.27Å; E1190-R1194 WeakPolarHBondContact O-CD 3.37Å; E1190-R1194 WeakPolarHBondContact O-CG 3.3Å; E1190-R1194 IonicContact OE1-CZ 3.11Å; E1190-R1194 IonicContact OE1-NH1 2.68Å; E1190-R1194 PolarHBondContact OE1-NH1 3.1Å; E1190-R1194 IonicContact OE1-NH2 2.72Å; E1190-R1194 PolarHBondContact OE1-NH2 2.98Å |
| 1191 | L | 75.3 | Confident | 74.2 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -80.4 | -34.4 | 177.7 | -151 | 143.4 | 0 | 0 | 0 | 111.8 | Q1158 R1159 L1162 L1183 T1187 E1188 V1189 R1194 M1195 | Q1158-L1191 HydrophobicContact CB-CD1 4.48Å; R1159-L1191 HydrophobicContact CG-CD1 3.5Å; R1159-L1191 HydrophobicContact CG-CG 4.39Å; L1162-L1191 HydrophobicContact CD2-CD2 3.93Å; L1162-L1191 HydrophobicContact CD2-CG 4.28Å; L1183-L1191 HydrophobicContact CD1-CB 4.18Å; L1183-L1191 HydrophobicContact CD1-CD1 3.96Å; L1183-L1191 HydrophobicContact CD1-CD2 4.48Å; L1183-L1191 HydrophobicContact CD1-CG 4.44Å; T1187-L1191 VanDerWaalsContact O-CB 3.31Å; T1187-L1191 WeakPolarHBondContact O-CB 3.23Å; T1187-L1191 PolarHBondContact O-N 3.02Å; T1187-L1191 VanDerWaalsContact O-N 3.1Å; E1188-L1191 PolarHBondContact O-N 3Å; V1189-L1191 PolarHBondContact O-N 2.79Å; L1191-R1194 PolarHBondContact O-N 2.79Å; L1191-M1195 HydrophobicContact CD2-CG 3.86Å; L1191-M1195 HydrophobicContact CD2-SD 3.54Å; L1191-M1195 VanDerWaalsContact CD2-SD 3.54Å; L1191-M1195 WeakPolarHBondContact O-CG 3.4Å; L1191-M1195 PolarHBondContact O-N 3.49Å |
| 1192 | K | 78.7 | Confident | 75.3 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 14% | 0.139 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.3 | 176.5 | 171.8 | -179.7 | -172.8 | 0 | 112.5 | E1188 V1189 R1194 M1195 L1196 H1212 W1213 E1216 | E1188-K1192 WeakPolarHBondContact O-CB 3.31Å; E1188-K1192 PolarHBondContact O-N 3.36Å; V1189-K1192 PolarHBondContact O-N 3.42Å; V1189-K1192 VanDerWaalsContact O-N 3.15Å; K1192-R1194 PolarHBondContact O-N 3.16Å; K1192-M1195 PolarHBondContact O-N 3.45Å; K1192-L1196 PolarHBondContact O-N 2.91Å; K1192-H1212 PolarHBondContact NZ-O 3.42Å; K1192-W1213 HydrophobicContact CB-CH2 3.81Å; K1192-W1213 HydrophobicContact CB-CZ2 3.92Å; K1192-W1213 HydrophobicContact CD-CE3 4.46Å; K1192-W1213 HydrophobicContact CD-CH2 4.38Å; K1192-W1213 HydrophobicContact CD-CZ3 4.33Å; K1192-W1213 HydrophobicContact CG-CE3 4.45Å; K1192-W1213 HydrophobicContact CG-CH2 3.63Å; K1192-W1213 HydrophobicContact CG-CZ2 4.07Å; K1192-W1213 HydrophobicContact CG-CZ3 3.84Å; K1192-E1216 WeakPolarHBondContact CE-OE1 3.26Å; K1192-E1216 IonicContact NZ-OE1 2.85Å; K1192-E1216 PolarHBondContact NZ-OE1 3.39Å |
| 1193 | E | 79.4 | Confident | 76.6 | Confident | 144 Ų | 144 | 53.3 Ų | 53.3 | 67% | 0.673 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.1 | -33.1 | 177.1 | -67.3 | -168.8 | 153.1 | 0 | 0 | 111.9 | V1189 P1197 | V1189-E1193 PolarHBondContact O-N 2.97Å; E1193-P1197 WeakPolarHBondContact O-CD 3.35Å |
| 1194 | R | 77.7 | Confident | 77.6 | Confident | 56 Ų | 56 | 53 Ų | 53 | 21% | 0.211 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -83.1 | -29.8 | -178.7 | -64.9 | 171.8 | 171.5 | 145.4 | 18.7 | 113.9 | V1127 T1128 G1129 R1159 F1166 E1190 L1191 K1192 P1197 | V1127-R1194 WeakPolarHBondContact O-CB 3.39Å; V1127-R1194 WeakPolarHBondContact O-CD 3.21Å; V1127-R1194 WeakPolarHBondContact O-CG 3.49Å; V1127-R1194 PolarHBondContact O-NE 3.32Å; T1128-R1194 WeakPolarHBondContact O-CD 3.17Å; T1128-R1194 PolarHBondContact O-NH1 3.41Å; G1129-R1194 VanDerWaalsContact CA-CZ 3.46Å; G1129-R1194 VanDerWaalsContact CA-NH1 3.34Å; R1159-R1194 VanDerWaalsContact NH1-NH1 3.14Å; F1166-R1194 WeakPolarHBondContact CE2-O 3.21Å; F1166-R1194 WeakPolarHBondContact CZ-O 3.06Å; E1190-R1194 VanDerWaalsContact O-CD 3.27Å; E1190-R1194 WeakPolarHBondContact O-CD 3.37Å; E1190-R1194 WeakPolarHBondContact O-CG 3.3Å; E1190-R1194 IonicContact OE1-CZ 3.11Å; E1190-R1194 IonicContact OE1-NH1 2.68Å; E1190-R1194 PolarHBondContact OE1-NH1 3.1Å; E1190-R1194 IonicContact OE1-NH2 2.72Å; E1190-R1194 PolarHBondContact OE1-NH2 2.98Å; L1191-R1194 PolarHBondContact O-N 2.79Å; K1192-R1194 PolarHBondContact O-N 3.16Å; R1194-P1197 WeakPolarHBondContact O-CD 3.5Å |
| 1195 | M | 81.8 | Confident | 78.8 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.7 | -34.1 | 176.3 | -69.8 | 178.6 | 85 | 0 | 0 | 112.9 | L1162 F1176 P1179 L1191 K1192 L1198 M1199 F1206 W1213 | L1162-M1195 HydrophobicContact CD1-CG 3.82Å; L1162-M1195 HydrophobicContact CD2-CG 3.52Å; L1162-M1195 HydrophobicContact CG-CG 4.32Å; F1176-M1195 HydrophobicContact CD1-CE 3.64Å; F1176-M1195 HydrophobicContact CE1-CE 3.21Å; F1176-M1195 HydrophobicContact CE2-CE 4.15Å; F1176-M1195 HydrophobicContact CG-CE 4.28Å; F1176-M1195 HydrophobicContact CZ-CE 3.5Å; F1176-M1195 VanDerWaalsContact CZ-CE 3.5Å; P1179-M1195 HydrophobicContact CB-CE 4.23Å; P1179-M1195 HydrophobicContact CG-CE 4.1Å; L1191-M1195 HydrophobicContact CD2-CG 3.86Å; L1191-M1195 HydrophobicContact CD2-SD 3.54Å; L1191-M1195 VanDerWaalsContact CD2-SD 3.54Å; L1191-M1195 WeakPolarHBondContact O-CG 3.4Å; L1191-M1195 PolarHBondContact O-N 3.49Å; K1192-M1195 PolarHBondContact O-N 3.45Å; M1195-L1198 WeakPolarHBondContact O-CB 3.29Å; M1195-L1198 PolarHBondContact O-N 3.27Å; M1195-L1198 VanDerWaalsContact O-N 3.12Å; M1195-M1199 HydrophobicContact CB-SD 4.44Å; M1195-M1199 WeakPolarHBondContact O-CG 3.37Å; M1195-M1199 PolarHBondContact O-N 2.9Å; M1195-F1206 HydrophobicContact CE-CE2 3.52Å; M1195-F1206 HydrophobicContact CE-CZ 3.74Å; M1195-F1206 HydrophobicContact SD-CE2 4.41Å; M1195-F1206 HydrophobicContact SD-CZ 4.29Å; M1195-W1213 HydrophobicContact CB-CH2 3.94Å; M1195-W1213 HydrophobicContact CE-CH2 4.42Å; M1195-W1213 HydrophobicContact CG-CH2 4.22Å; M1195-W1213 HydrophobicContact SD-CH2 3.41Å; M1195-W1213 WeakPolarHBondContact SD-CH2 3.4Å; M1195-W1213 HydrophobicContact SD-CZ2 3.59Å; M1195-W1213 VanDerWaalsContact SD-CZ2 3.59Å; M1195-W1213 HydrophobicContact SD-CZ3 4.49Å |
| 1196 | L | 83.4 | Confident | 79.9 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.1 | -46.3 | -171 | -81.8 | 169 | 0 | 0 | 0 | 114.7 | K1192 L1198 M1199 E1200 E1216 | K1192-L1196 PolarHBondContact O-N 2.91Å; L1196-L1198 VanDerWaalsContact C-N 3.31Å; L1196-L1198 PolarHBondContact O-N 3Å; L1196-M1199 PolarHBondContact O-N 3.46Å; L1196-M1199 VanDerWaalsContact O-N 3.15Å; L1196-E1200 PolarHBondContact O-N 2.63Å; L1196-E1216 HydrophobicContact CD2-CB 3.96Å; L1196-E1216 HydrophobicContact CD2-CG 3.91Å |
| 1197 | P | 82.3 | Confident | 80.9 | Confident | 71 Ų | 71 | 34.8 Ų | 34.8 | 46% | 0.461 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.7 | -32.6 | 178.4 | -25.4 | 35.5 | 0 | 0 | 0 | 114.5 | E1193 R1194 | E1193-P1197 WeakPolarHBondContact O-CD 3.35Å; R1194-P1197 WeakPolarHBondContact O-CD 3.5Å |
| 1198 | L | 81.3 | Confident | 81.1 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.9 | -43.9 | 175.6 | -173.9 | 65.5 | 0 | 0 | 0 | 110.2 | L1162 A1165 F1166 M1195 L1196 E1200 T1201 H1202 | L1162-L1198 HydrophobicContact CD1-CD2 4.12Å; A1165-L1198 HydrophobicContact CB-CD2 3.73Å; F1166-L1198 HydrophobicContact CD1-CD1 4.25Å; F1166-L1198 HydrophobicContact CD2-CD2 4.41Å; F1166-L1198 HydrophobicContact CE1-CB 3.92Å; F1166-L1198 HydrophobicContact CE1-CD1 4.38Å; F1166-L1198 HydrophobicContact CE2-CB 4.02Å; F1166-L1198 HydrophobicContact CE2-CD2 4.47Å; F1166-L1198 HydrophobicContact CZ-CB 3.65Å; M1195-L1198 WeakPolarHBondContact O-CB 3.29Å; M1195-L1198 PolarHBondContact O-N 3.27Å; M1195-L1198 VanDerWaalsContact O-N 3.12Å; L1196-L1198 VanDerWaalsContact C-N 3.31Å; L1196-L1198 PolarHBondContact O-N 3Å; L1198-E1200 PolarHBondContact O-N 3.42Å; L1198-E1200 VanDerWaalsContact O-N 3.15Å; L1198-T1201 PolarHBondContact O-N 3.12Å; L1198-T1201 PolarHBondContact O-OG1 3.32Å; L1198-H1202 PolarHBondContact O-ND1 3.18Å |
| 1199 | M | 85.5 | Confident | 81 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -17.1 | -177.2 | -61.8 | 172.8 | 66.1 | 0 | 0 | 114 | K1043 F1176 M1195 L1196 T1201 V1204 F1206 W1213 M1217 | K1043-M1199 HydrophobicContact CB-CE 4.43Å; K1043-M1199 HydrophobicContact CD-CB 4.26Å; K1043-M1199 HydrophobicContact CD-CE 4.11Å; K1043-M1199 WeakPolarHBondContact CE-O 3.31Å; K1043-M1199 HydrophobicContact CG-CB 4.46Å; K1043-M1199 HydrophobicContact CG-CE 4.23Å; F1176-M1199 HydrophobicContact CE2-CG 4.43Å; M1195-M1199 HydrophobicContact CB-SD 4.44Å; M1195-M1199 WeakPolarHBondContact O-CG 3.37Å; M1195-M1199 PolarHBondContact O-N 2.9Å; L1196-M1199 PolarHBondContact O-N 3.46Å; L1196-M1199 VanDerWaalsContact O-N 3.15Å; M1199-T1201 VanDerWaalsContact C-N 3.33Å; M1199-V1204 HydrophobicContact CB-CG2 4.05Å; M1199-V1204 HydrophobicContact CE-CG1 4.32Å; M1199-V1204 HydrophobicContact CG-CG2 4.14Å; M1199-F1206 HydrophobicContact CE-CD2 3.78Å; M1199-F1206 HydrophobicContact CE-CE2 4.09Å; M1199-F1206 HydrophobicContact SD-CD2 4.18Å; M1199-F1206 HydrophobicContact SD-CE2 3.95Å; M1199-W1213 HydrophobicContact SD-CZ3 4.16Å; M1199-M1217 HydrophobicContact CE-CE 3.67Å; M1199-M1217 HydrophobicContact CE-SD 4.07Å |
| 1200 | E | 82.8 | Confident | 80.4 | Confident | 134 Ų | 134 | 33.8 Ų | 33.8 | 63% | 0.626 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.7 | 178.6 | -66.5 | -171.6 | 162.2 | 0 | 0 | 114.2 | L1196 L1198 | L1196-E1200 PolarHBondContact O-N 2.63Å; L1198-E1200 PolarHBondContact O-N 3.42Å; L1198-E1200 VanDerWaalsContact O-N 3.15Å |
| 1201 | T | 82.4 | Confident | 79.8 | Confident | 64 Ų | 64 | 35.8 Ų | 35.8 | 39% | 0.393 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -118.9 | 10.9 | -172.7 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | L1198 M1199 | L1198-T1201 PolarHBondContact O-N 3.12Å; L1198-T1201 PolarHBondContact O-OG1 3.32Å; M1199-T1201 VanDerWaalsContact C-N 3.33Å |
| 1202 | H | 87.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -138 | 151.2 | -171.9 | -64.3 | 85.4 | 0 | 0 | 0 | 111.5 | Y1041 R1171 K1172 V1174 L1198 V1204 | Y1041-H1202 WeakPolarHBondContact CA-O 3.35Å; Y1041-H1202 WeakPolarHBondContact CB-O 3.12Å; R1171-H1202 PolarHBondContact O-CD2 2.78Å; R1171-H1202 PolarHBondContact O-NE2 3.3Å; K1172-H1202 PolarHBondContact NZ-NE2 2.79Å; V1174-H1202 HydrophobicContact CG2-CB 3.87Å; L1198-H1202 PolarHBondContact O-ND1 3.18Å; H1202-V1204 HydrophobicContact CB-CG2 4.19Å; H1202-V1204 PolarHBondContact O-N 3.46Å |
| 1203 | L | 89.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 120.2 | 161.2 | 165.5 | 62.1 | 0 | 0 | 0 | 107.4 | W1012 V1038 K1172 I1173 V1174 F1205 | W1012-L1203 HydrophobicContact CD2-CB 4.49Å; W1012-L1203 HydrophobicContact CD2-CD2 3.93Å; W1012-L1203 HydrophobicContact CE3-CD2 4.08Å; W1012-L1203 HydrophobicContact CH2-CD2 3.91Å; W1012-L1203 HydrophobicContact CZ2-CB 4.49Å; W1012-L1203 HydrophobicContact CZ2-CD2 3.71Å; W1012-L1203 HydrophobicContact CZ2-CG 4.47Å; W1012-L1203 HydrophobicContact CZ3-CD2 4.08Å; V1038-L1203 HydrophobicContact CG1-CD1 3.49Å; V1038-L1203 VanDerWaalsContact CG1-CD1 3.49Å; K1172-L1203 PolarHBondContact O-N 3.34Å; I1173-L1203 CarbonylContact C-O 3.59Å; I1173-L1203 WeakPolarHBondContact CA-O 3.3Å; I1173-L1203 HydrophobicContact CD1-CD2 4.24Å; I1173-L1203 HydrophobicContact CG1-CB 4.36Å; I1173-L1203 HydrophobicContact CG1-CD2 4.13Å; I1173-L1203 HydrophobicContact CG2-CD2 4.08Å; I1173-L1203 HydrophobicContact CG2-CG 4.22Å; V1174-L1203 PolarHBondContact N-O 2.69Å; L1203-F1205 HydrophobicContact CD1-CE2 4.16Å; L1203-F1205 HydrophobicContact CD2-CE2 3.83Å; L1203-F1205 HydrophobicContact CG-CD2 4.37Å; L1203-F1205 HydrophobicContact CG-CE2 3.97Å |
| 1204 | V | 88.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.3 | -175.7 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | Q1042 I1044 V1174 F1176 M1199 H1202 F1206 | Q1042-V1204 PolarHBondContact O-N 2.97Å; I1044-V1204 PolarHBondContact N-O 3.38Å; V1174-V1204 WeakPolarHBondContact O-CA 3.5Å; F1176-V1204 HydrophobicContact CD2-CG1 3.56Å; F1176-V1204 HydrophobicContact CE2-CG1 3.58Å; M1199-V1204 HydrophobicContact CB-CG2 4.05Å; M1199-V1204 HydrophobicContact CE-CG1 4.32Å; M1199-V1204 HydrophobicContact CG-CG2 4.14Å; H1202-V1204 HydrophobicContact CB-CG2 4.19Å; H1202-V1204 PolarHBondContact O-N 3.46Å; V1204-F1206 HydrophobicContact CG1-CB 4.1Å; V1204-F1206 HydrophobicContact CG1-CD2 4.05Å |
| 1205 | F | 89.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 112.8 | 159.9 | -65.8 | -93.2 | 0 | 0 | 0 | 108.2 | F1036 V1038 I1044 I1046 L1061 V1174 L1175 F1176 L1203 | F1036-F1205 AromaticContact CE2-CE1 3.57Å; F1036-F1205 HydrophobicContact CE2-CE1 3.57Å; F1036-F1205 AromaticContact CE2-CZ 3.88Å; F1036-F1205 HydrophobicContact CE2-CZ 3.88Å; F1036-F1205 AromaticContact CZ-CE1 3.8Å; F1036-F1205 HydrophobicContact CZ-CE1 3.8Å; F1036-F1205 HydrophobicContact CZ-CZ 4.18Å; V1038-F1205 HydrophobicContact CG2-CE1 4.43Å; V1038-F1205 HydrophobicContact CG2-CZ 4.07Å; I1044-F1205 HydrophobicContact CB-CD1 4.03Å; I1044-F1205 HydrophobicContact CB-CE1 4.39Å; I1044-F1205 HydrophobicContact CD1-CE1 4.04Å; I1044-F1205 HydrophobicContact CG2-CD1 4Å; I1044-F1205 HydrophobicContact CG2-CE1 4.33Å; I1044-F1205 CarbonylContact O-C 3.58Å; I1044-F1205 WeakPolarHBondContact O-CA 3.42Å; I1046-F1205 HydrophobicContact CD1-CB 4.3Å; I1046-F1205 HydrophobicContact CD1-CD1 4.35Å; L1061-F1205 HydrophobicContact CD1-CD1 4.06Å; L1061-F1205 HydrophobicContact CD1-CE1 3.98Å; L1061-F1205 HydrophobicContact CD1-CZ 4.36Å; V1174-F1205 PolarHBondContact O-N 3.06Å; L1175-F1205 HydrophobicContact CD2-CB 3.6Å; L1175-F1205 HydrophobicContact CD2-CD2 3.44Å; L1175-F1205 VanDerWaalsContact CD2-CD2 3.44Å; L1175-F1205 HydrophobicContact CD2-CE2 4.34Å; L1175-F1205 HydrophobicContact CD2-CG 3.8Å; F1176-F1205 PolarHBondContact N-O 3.23Å; L1203-F1205 HydrophobicContact CD1-CE2 4.16Å; L1203-F1205 HydrophobicContact CD2-CE2 3.83Å; L1203-F1205 HydrophobicContact CG-CD2 4.37Å; L1203-F1205 HydrophobicContact CG-CE2 3.97Å |
| 1206 | F | 87.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 80.8 | -173.4 | -154.1 | -67 | 0 | 0 | 0 | 108.6 | I1044 G1045 I1046 F1176 P1179 M1195 M1199 V1204 T1208 W1213 M1217 | I1044-F1206 PolarHBondContact O-N 2.91Å; G1045-F1206 CarbonylContact C-O 3.58Å; G1045-F1206 VanDerWaalsContact CA-O 3.25Å; G1045-F1206 WeakPolarHBondContact CA-O 3.18Å; I1046-F1206 PolarHBondContact N-O 3.47Å; F1176-F1206 HydrophobicContact CB-CD2 4.29Å; F1176-F1206 HydrophobicContact CB-CG 4.28Å; F1176-F1206 HydrophobicContact CD2-CB 4.49Å; F1176-F1206 AromaticContact CD2-CD2 3.38Å; F1176-F1206 HydrophobicContact CD2-CD2 3.38Å; F1176-F1206 AromaticContact CD2-CE2 3.85Å; F1176-F1206 HydrophobicContact CD2-CE2 3.85Å; F1176-F1206 HydrophobicContact CD2-CG 4.07Å; F1176-F1206 AromaticContact CE2-CD2 3.84Å; F1176-F1206 HydrophobicContact CE2-CD2 3.84Å; F1176-F1206 HydrophobicContact CE2-CE2 4.06Å; F1176-F1206 HydrophobicContact CG-CD2 4.02Å; F1176-F1206 HydrophobicContact CG-CE2 4.22Å; F1176-F1206 HydrophobicContact CG-CG 4.49Å; P1179-F1206 HydrophobicContact CG-CD1 4.09Å; P1179-F1206 HydrophobicContact CG-CE1 3.38Å; P1179-F1206 HydrophobicContact CG-CE2 4.15Å; P1179-F1206 HydrophobicContact CG-CZ 3.41Å; P1179-F1206 VanDerWaalsContact CG-CZ 3.41Å; M1195-F1206 HydrophobicContact CE-CE2 3.52Å; M1195-F1206 HydrophobicContact CE-CZ 3.74Å; M1195-F1206 HydrophobicContact SD-CE2 4.41Å; M1195-F1206 HydrophobicContact SD-CZ 4.29Å; M1199-F1206 HydrophobicContact CE-CD2 3.78Å; M1199-F1206 HydrophobicContact CE-CE2 4.09Å; M1199-F1206 HydrophobicContact SD-CD2 4.18Å; M1199-F1206 HydrophobicContact SD-CE2 3.95Å; V1204-F1206 HydrophobicContact CG1-CB 4.1Å; V1204-F1206 HydrophobicContact CG1-CD2 4.05Å; F1206-T1208 HydrophobicContact CD1-CG2 3.7Å; F1206-T1208 HydrophobicContact CE1-CG2 3.89Å; F1206-T1208 PolarHBondContact O-N 3.37Å; F1206-W1213 HydrophobicContact CE1-CB 4.44Å; F1206-W1213 AromaticContact CE1-CD1 3.97Å; F1206-W1213 AromaticContact CE1-CD2 3.75Å; F1206-W1213 HydrophobicContact CE1-CD2 3.75Å; F1206-W1213 AromaticContact CE1-CE2 3.95Å; F1206-W1213 HydrophobicContact CE1-CE3 4.2Å; F1206-W1213 AromaticContact CE1-CG 3.83Å; F1206-W1213 HydrophobicContact CE1-CG 3.83Å; F1206-W1213 HydrophobicContact CE2-CD2 4.33Å; F1206-W1213 HydrophobicContact CE2-CE3 4.01Å; F1206-W1213 HydrophobicContact CE2-CH2 4.18Å; F1206-W1213 AromaticContact CE2-CZ3 3.92Å; F1206-W1213 HydrophobicContact CE2-CZ3 3.92Å; F1206-W1213 AromaticContact CZ-CD2 3.49Å; F1206-W1213 HydrophobicContact CZ-CD2 3.49Å; F1206-W1213 VanDerWaalsContact CZ-CD2 3.49Å; F1206-W1213 AromaticContact CZ-CE2 3.52Å; F1206-W1213 AromaticContact CZ-CE3 3.63Å; F1206-W1213 HydrophobicContact CZ-CE3 3.63Å; F1206-W1213 HydrophobicContact CZ-CG 4.1Å; F1206-W1213 AromaticContact CZ-CH2 3.82Å; F1206-W1213 HydrophobicContact CZ-CH2 3.82Å; F1206-W1213 AromaticContact CZ-CZ2 3.72Å; F1206-W1213 HydrophobicContact CZ-CZ2 3.72Å; F1206-W1213 AromaticContact CZ-CZ3 3.79Å; F1206-W1213 HydrophobicContact CZ-CZ3 3.79Å; F1206-M1217 HydrophobicContact CB-CE 3.61Å; F1206-M1217 HydrophobicContact CB-SD 3.88Å; F1206-M1217 HydrophobicContact CD1-CE 3.82Å; F1206-M1217 HydrophobicContact CD2-CE 3.65Å; F1206-M1217 HydrophobicContact CE1-CE 4.34Å; F1206-M1217 HydrophobicContact CE2-CE 4.18Å; F1206-M1217 HydrophobicContact CG-CE 3.44Å; F1206-M1217 VanDerWaalsContact CG-CE 3.44Å; F1206-M1217 HydrophobicContact CG-SD 4.36Å |
| 1207 | A | 85.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 131 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | I1046 K1054 I1058 F1176 D1177 E1178 P1179 | I1046-A1207 HydrophobicContact CB-CB 3.84Å; I1046-A1207 HydrophobicContact CD1-CB 4.47Å; I1046-A1207 HydrophobicContact CG2-CB 4.4Å; I1046-A1207 WeakPolarHBondContact O-CA 3.36Å; K1054-A1207 HydrophobicContact CB-CB 4.26Å; K1054-A1207 HydrophobicContact CD-CB 4.15Å; I1058-A1207 HydrophobicContact CD1-CB 3.5Å; F1176-A1207 PolarHBondContact O-N 3.05Å; D1177-A1207 VanDerWaalsContact OD1-CB 3.29Å; D1177-A1207 WeakPolarHBondContact OD1-CB 3.36Å; E1178-A1207 WeakPolarHBondContact CA-O 3.43Å; E1178-A1207 PolarHBondContact N-O 3.26Å; P1179-A1207 VanDerWaalsContact CD-O 3.22Å; P1179-A1207 WeakPolarHBondContact CD-O 3.41Å |
| 1208 | T | 69.6 | Low | 78.7 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -150.1 | -172.2 | 176.3 | -173 | 0 | 0 | 0 | 0 | 110.7 | I1046 K1054 F1206 W1213 F1244 | I1046-T1208 PolarHBondContact O-N 2.91Å; K1054-T1208 WeakPolarHBondContact CE-O 3.25Å; F1206-T1208 HydrophobicContact CD1-CG2 3.7Å; F1206-T1208 HydrophobicContact CE1-CG2 3.89Å; F1206-T1208 PolarHBondContact O-N 3.37Å; T1208-W1213 HydrophobicContact CG2-CB 3.85Å; T1208-W1213 HydrophobicContact CG2-CG 4.21Å; T1208-F1244 HydrophobicContact CG2-CE2 4.36Å; T1208-F1244 HydrophobicContact CG2-CZ 4.37Å; T1208-F1244 WeakPolarHBondContact O-CD2 3.39Å; T1208-F1244 WeakPolarHBondContact O-CE2 3.14Å | ||
| 1209 | H | 67 | Low | 78.9 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 15% | 0.148 | 18% | 0.183 | C | C | . | . | trans | -133.4 | -17 | 174.6 | 85 | -130.7 | 0 | 0 | 0 | 114.2 | E1178 A1181 L1211 F1244 T1245 | E1178-H1209 IonicContact OE2-CE1 3.36Å; E1178-H1209 IonicContact OE2-CG 3.86Å; E1178-H1209 IonicContact OE2-ND1 2.72Å; E1178-H1209 PolarHBondContact OE2-ND1 2.87Å; A1181-H1209 WeakPolarHBondContact CA-CE1 3.36Å; A1181-H1209 WeakPolarHBondContact CB-CE1 3.47Å; A1181-H1209 VanDerWaalsContact CB-ND1 3.34Å; A1181-H1209 WeakPolarHBondContact CB-ND1 3.23Å; A1181-H1209 PolarHBondContact O-CE1 2.73Å; H1209-L1211 PolarHBondContact O-N 2.94Å; H1209-F1244 VanDerWaalsContact CA-CD2 3.41Å; H1209-F1244 VanDerWaalsContact CA-CG 3.41Å; H1209-F1244 HydrophobicContact CB-CB 3.69Å; H1209-F1244 HydrophobicContact CB-CD2 4.3Å; H1209-F1244 HydrophobicContact CB-CG 4.16Å; H1209-F1244 WeakPolarHBondContact O-CB 3.35Å; H1209-F1244 WeakPolarHBondContact O-CD1 3.49Å; H1209-F1244 WeakPolarHBondContact O-CE1 3.49Å; H1209-F1244 VanDerWaalsContact O-CG 3.27Å; H1209-F1244 WeakPolarHBondContact O-CG 3.48Å; H1209-T1245 PolarHBondContact CE1-O 3.49Å; H1209-T1245 PolarHBondContact ND1-O 2.8Å | ||
| 1210 | R | 62.2 | Low | 78.7 | Confident | 53 Ų | 53 | 36.6 Ų | 36.6 | 20% | 0.2 | 18% | 0.183 | C | C | . | . | trans | -91.6 | 105.2 | -172.7 | -54.6 | -93.5 | -179.6 | 114.7 | -2.8 | 109.2 | A1181 L1183 E1188 H1212 W1213 | A1181-R1210 PolarHBondContact O-NH2 3.47Å; L1183-R1210 PolarHBondContact O-NH1 3.39Å; L1183-R1210 PolarHBondContact O-NH2 2.86Å; E1188-R1210 WeakPolarHBondContact OE1-CB 3.39Å; E1188-R1210 VanDerWaalsContact OE1-CG 3.26Å; E1188-R1210 WeakPolarHBondContact OE1-CG 3.22Å; E1188-R1210 WeakPolarHBondContact OE2-CD 3.32Å; E1188-R1210 IonicContact OE2-CZ 3.72Å; E1188-R1210 IonicContact OE2-NE 3.28Å; E1188-R1210 IonicContact OE2-NH1 2.8Å; E1188-R1210 PolarHBondContact OE2-NH1 3.31Å; R1210-H1212 PolarHBondContact O-N 3.34Å; R1210-H1212 PolarHBondContact O-ND1 2.88Å; R1210-W1213 WeakPolarHBondContact O-CB 3.32Å; R1210-W1213 PolarHBondContact O-N 2.79Å | ||
| 1211 | L | 59.6 | Low | 78.7 | Confident | 114 Ų | 114 | 30.2 Ų | 30.2 | 60% | 0.597 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -47.3 | -27.1 | -173.8 | -75.3 | 159 | 0 | 0 | 0 | 115.1 | H1209 W1213 L1214 F1244 | H1209-L1211 PolarHBondContact O-N 2.94Å; L1211-W1213 PolarHBondContact O-N 2.86Å; L1211-L1214 HydrophobicContact CD2-CD1 3.82Å; L1211-L1214 WeakPolarHBondContact O-CB 3.29Å; L1211-L1214 VanDerWaalsContact O-CG 3.28Å; L1211-L1214 WeakPolarHBondContact O-CG 3.46Å; L1211-L1214 PolarHBondContact O-N 3.38Å; L1211-F1244 HydrophobicContact CB-CE1 4.4Å; L1211-F1244 HydrophobicContact CD2-CD1 3.99Å; L1211-F1244 HydrophobicContact CD2-CE1 3.57Å; L1211-F1244 HydrophobicContact CG-CD1 3.98Å; L1211-F1244 HydrophobicContact CG-CE1 3.75Å |
| 1212 | H | 69.7 | Low | 78.2 | Confident | 68 Ų | 68 | 27.3 Ų | 27.3 | 32% | 0.315 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -70.6 | -6.8 | 177.5 | 79.9 | -12.5 | 0 | 0 | 0 | 115.4 | E1188 K1192 R1210 T1215 | E1188-H1212 IonicContact OE1-CE1 3.44Å; E1188-H1212 PolarHBondContact OE1-CE1 2.88Å; E1188-H1212 IonicContact OE1-NE2 2.6Å; E1188-H1212 IonicContact OE2-CE1 2.84Å; E1188-H1212 IonicContact OE2-NE2 3.26Å; K1192-H1212 PolarHBondContact NZ-O 3.42Å; R1210-H1212 PolarHBondContact O-N 3.34Å; R1210-H1212 PolarHBondContact O-ND1 2.88Å; H1212-T1215 PolarHBondContact O-OG1 3.44Å; H1212-T1215 VanDerWaalsContact O-OG1 3.14Å |
| 1213 | W | 76.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -79.4 | -25.7 | 171.4 | -85.7 | 115.3 | 0 | 0 | 0 | 112.2 | T1180 E1188 K1192 M1195 M1199 F1206 T1208 R1210 L1211 T1215 E1216 M1217 | T1180-W1213 HydrophobicContact CG2-CZ2 3.67Å; T1180-W1213 PolarHBondContact OG1-NE1 2.83Å; T1180-W1213 VanDerWaalsContact OG1-NE1 3.08Å; E1188-W1213 PolarHBondContact OE1-NE1 2.96Å; K1192-W1213 HydrophobicContact CB-CH2 3.81Å; K1192-W1213 HydrophobicContact CB-CZ2 3.92Å; K1192-W1213 HydrophobicContact CD-CE3 4.46Å; K1192-W1213 HydrophobicContact CD-CH2 4.38Å; K1192-W1213 HydrophobicContact CD-CZ3 4.33Å; K1192-W1213 HydrophobicContact CG-CE3 4.45Å; K1192-W1213 HydrophobicContact CG-CH2 3.63Å; K1192-W1213 HydrophobicContact CG-CZ2 4.07Å; K1192-W1213 HydrophobicContact CG-CZ3 3.84Å; M1195-W1213 HydrophobicContact CB-CH2 3.94Å; M1195-W1213 HydrophobicContact CE-CH2 4.42Å; M1195-W1213 HydrophobicContact CG-CH2 4.22Å; M1195-W1213 HydrophobicContact SD-CH2 3.41Å; M1195-W1213 WeakPolarHBondContact SD-CH2 3.4Å; M1195-W1213 HydrophobicContact SD-CZ2 3.59Å; M1195-W1213 VanDerWaalsContact SD-CZ2 3.59Å; M1195-W1213 HydrophobicContact SD-CZ3 4.49Å; M1199-W1213 HydrophobicContact SD-CZ3 4.16Å; F1206-W1213 HydrophobicContact CE1-CB 4.44Å; F1206-W1213 AromaticContact CE1-CD1 3.97Å; F1206-W1213 AromaticContact CE1-CD2 3.75Å; F1206-W1213 HydrophobicContact CE1-CD2 3.75Å; F1206-W1213 AromaticContact CE1-CE2 3.95Å; F1206-W1213 HydrophobicContact CE1-CE3 4.2Å; F1206-W1213 AromaticContact CE1-CG 3.83Å; F1206-W1213 HydrophobicContact CE1-CG 3.83Å; F1206-W1213 HydrophobicContact CE2-CD2 4.33Å; F1206-W1213 HydrophobicContact CE2-CE3 4.01Å; F1206-W1213 HydrophobicContact CE2-CH2 4.18Å; F1206-W1213 AromaticContact CE2-CZ3 3.92Å; F1206-W1213 HydrophobicContact CE2-CZ3 3.92Å; F1206-W1213 AromaticContact CZ-CD2 3.49Å; F1206-W1213 HydrophobicContact CZ-CD2 3.49Å; F1206-W1213 VanDerWaalsContact CZ-CD2 3.49Å; F1206-W1213 AromaticContact CZ-CE2 3.52Å; F1206-W1213 AromaticContact CZ-CE3 3.63Å; F1206-W1213 HydrophobicContact CZ-CE3 3.63Å; F1206-W1213 HydrophobicContact CZ-CG 4.1Å; F1206-W1213 AromaticContact CZ-CH2 3.82Å; F1206-W1213 HydrophobicContact CZ-CH2 3.82Å; F1206-W1213 AromaticContact CZ-CZ2 3.72Å; F1206-W1213 HydrophobicContact CZ-CZ2 3.72Å; F1206-W1213 AromaticContact CZ-CZ3 3.79Å; F1206-W1213 HydrophobicContact CZ-CZ3 3.79Å; T1208-W1213 HydrophobicContact CG2-CB 3.85Å; T1208-W1213 HydrophobicContact CG2-CG 4.21Å; R1210-W1213 WeakPolarHBondContact O-CB 3.32Å; R1210-W1213 PolarHBondContact O-N 2.79Å; L1211-W1213 PolarHBondContact O-N 2.86Å; W1213-T1215 PolarHBondContact O-N 2.79Å; W1213-T1215 VanDerWaalsContact O-N 3.15Å; W1213-E1216 HydrophobicContact CE3-CG 4.26Å; W1213-E1216 PolarHBondContact O-N 3.19Å; W1213-M1217 HydrophobicContact CB-CE 4.23Å; W1213-M1217 HydrophobicContact CE3-CE 4.14Å |
| 1214 | L | 68.7 | Low | 76.2 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -63.9 | -24.5 | -171.9 | -59.9 | -176 | 0 | 0 | 0 | 113.1 | I1047 L1211 E1216 M1217 L1220 L1234 F1244 | I1047-L1214 HydrophobicContact CD1-CD1 3.87Å; I1047-L1214 HydrophobicContact CD1-CD2 3.54Å; I1047-L1214 HydrophobicContact CD1-CG 4.38Å; I1047-L1214 HydrophobicContact CG1-CD2 3.8Å; L1211-L1214 HydrophobicContact CD2-CD1 3.82Å; L1211-L1214 WeakPolarHBondContact O-CB 3.29Å; L1211-L1214 VanDerWaalsContact O-CG 3.28Å; L1211-L1214 WeakPolarHBondContact O-CG 3.46Å; L1211-L1214 PolarHBondContact O-N 3.38Å; L1214-E1216 PolarHBondContact O-N 3.01Å; L1214-M1217 PolarHBondContact O-N 3.22Å; L1214-L1220 HydrophobicContact CD2-CD1 4.18Å; L1214-L1220 HydrophobicContact CD2-CD2 3.54Å; L1214-L1234 HydrophobicContact CB-CD1 3.62Å; L1214-L1234 HydrophobicContact CB-CD2 3.92Å; L1214-L1234 HydrophobicContact CB-CG 4.23Å; L1214-L1234 HydrophobicContact CD1-CD1 3.95Å; L1214-L1234 HydrophobicContact CG-CD1 4.43Å; L1214-L1234 WeakPolarHBondContact O-CB 3.42Å; L1214-L1234 WeakPolarHBondContact O-CD2 3.47Å; L1214-F1244 HydrophobicContact CD1-CE1 4.28Å; L1214-F1244 HydrophobicContact CD1-CZ 4.3Å; L1214-F1244 HydrophobicContact CD2-CZ 3.91Å; L1214-F1244 HydrophobicContact CG-CZ 4.27Å |
| 1215 | T | 73.4 | Confident | 74.9 | Confident | 87 Ų | 87 | 37.1 Ų | 37.1 | 53% | 0.534 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -65.5 | -22.3 | 177.2 | 45 | 0 | 0 | 0 | 0 | 112.9 | H1212 W1213 L1234 | H1212-T1215 PolarHBondContact O-OG1 3.44Å; H1212-T1215 VanDerWaalsContact O-OG1 3.14Å; W1213-T1215 PolarHBondContact O-N 2.79Å; W1213-T1215 VanDerWaalsContact O-N 3.15Å; T1215-L1234 HydrophobicContact CG2-CD2 3.77Å |
| 1216 | E | 81.8 | Confident | 73.7 | Confident | 54 Ų | 54 | 41.8 Ų | 41.8 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -94.5 | -2.3 | -178.9 | -38.5 | -46.5 | 138.8 | 0 | 0 | 112.9 | K1043 K1192 L1196 W1213 L1214 | K1043-E1216 WeakPolarHBondContact CD-O 3.34Å; K1192-E1216 WeakPolarHBondContact CE-OE1 3.26Å; K1192-E1216 IonicContact NZ-OE1 2.85Å; K1192-E1216 PolarHBondContact NZ-OE1 3.39Å; L1196-E1216 HydrophobicContact CD2-CB 3.96Å; L1196-E1216 HydrophobicContact CD2-CG 3.91Å; W1213-E1216 HydrophobicContact CE3-CG 4.26Å; W1213-E1216 PolarHBondContact O-N 3.19Å; L1214-E1216 PolarHBondContact O-N 3.01Å |
| 1217 | M | 82.6 | Confident | 72.5 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | trans | -101.4 | 124 | -173.5 | -55.4 | -61.7 | 157.9 | 0 | 0 | 111.2 | K1043 M1199 F1206 W1213 L1214 Y1219 L1220 | K1043-M1217 HydrophobicContact CB-SD 4.09Å; K1043-M1217 CarbonylContact O-C 3.56Å; M1199-M1217 HydrophobicContact CE-CE 3.67Å; M1199-M1217 HydrophobicContact CE-SD 4.07Å; F1206-M1217 HydrophobicContact CB-CE 3.61Å; F1206-M1217 HydrophobicContact CB-SD 3.88Å; F1206-M1217 HydrophobicContact CD1-CE 3.82Å; F1206-M1217 HydrophobicContact CD2-CE 3.65Å; F1206-M1217 HydrophobicContact CE1-CE 4.34Å; F1206-M1217 HydrophobicContact CE2-CE 4.18Å; F1206-M1217 HydrophobicContact CG-CE 3.44Å; F1206-M1217 VanDerWaalsContact CG-CE 3.44Å; F1206-M1217 HydrophobicContact CG-SD 4.36Å; W1213-M1217 HydrophobicContact CB-CE 4.23Å; W1213-M1217 HydrophobicContact CE3-CE 4.14Å; L1214-M1217 PolarHBondContact O-N 3.22Å; M1217-Y1219 VanDerWaalsContact C-N 3.32Å; M1217-L1220 HydrophobicContact CB-CD2 3.48Å; M1217-L1220 VanDerWaalsContact CB-CD2 3.48Å; M1217-L1220 HydrophobicContact CB-CG 4.26Å; M1217-L1220 HydrophobicContact CG-CD2 3.8Å | ||
| 1218 | D | 83 | Confident | 71.7 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 43% | 0.428 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -64.6 | -39.2 | 174.5 | -59.3 | -60.5 | 0 | 0 | 0 | 111.4 | K1043 T1233 | K1043-D1218 WeakPolarHBondContact CB-OD2 3.47Å; K1043-D1218 PolarHBondContact N-OD2 2.94Å; K1043-D1218 PolarHBondContact O-N 3.4Å; D1218-T1233 WeakPolarHBondContact O-CG2 3.3Å |
| 1219 | Y | 84.6 | Confident | 71.6 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 159.2 | -176.9 | -154.2 | -107 | 0 | 0 | 0 | 110.4 | K1043 I1044 G1045 M1217 L1221 Q1231 G1232 | K1043-Y1219 PolarHBondContact O-N 3.28Å; K1043-Y1219 VanDerWaalsContact O-N 3.1Å; I1044-Y1219 CarbonylContact C-O 3.51Å; I1044-Y1219 VanDerWaalsContact CA-O 3.25Å; I1044-Y1219 WeakPolarHBondContact CA-O 3.08Å; G1045-Y1219 PolarHBondContact N-O 3.44Å; M1217-Y1219 VanDerWaalsContact C-N 3.32Å; Y1219-L1221 HydrophobicContact CD1-CD2 4.33Å; Y1219-L1221 HydrophobicContact CE1-CD2 4.12Å; Y1219-Q1231 HydrophobicContact CE1-CB 3.9Å; Y1219-Q1231 HydrophobicContact CE1-CG 4.43Å; Y1219-G1232 CarbonylContact C-O 3.29Å; Y1219-G1232 VanDerWaalsContact CE2-CA 3.5Å |
| 1220 | L | 81.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.7 | -173.8 | -60.7 | 167.7 | 0 | 0 | 0 | 110.7 | G1045 I1047 L1214 M1217 Q1231 G1232 L1234 L1237 | G1045-L1220 CarbonylContact O-C 3.11Å; G1045-L1220 WeakPolarHBondContact O-CA 3.39Å; G1045-L1220 WeakPolarHBondContact O-CD2 3.35Å; I1047-L1220 HydrophobicContact CD1-CB 4.14Å; I1047-L1220 HydrophobicContact CD1-CD1 3.99Å; I1047-L1220 HydrophobicContact CD1-CD2 4.15Å; I1047-L1220 HydrophobicContact CD1-CG 4.32Å; I1047-L1220 HydrophobicContact CG1-CD2 4.42Å; L1214-L1220 HydrophobicContact CD2-CD1 4.18Å; L1214-L1220 HydrophobicContact CD2-CD2 3.54Å; M1217-L1220 HydrophobicContact CB-CD2 3.48Å; M1217-L1220 VanDerWaalsContact CB-CD2 3.48Å; M1217-L1220 HydrophobicContact CB-CG 4.26Å; M1217-L1220 HydrophobicContact CG-CD2 3.8Å; L1220-Q1231 VanDerWaalsContact O-CA 3.23Å; L1220-Q1231 WeakPolarHBondContact O-CA 3.33Å; L1220-Q1231 WeakPolarHBondContact O-CB 3.31Å; L1220-G1232 WeakPolarHBondContact CA-O 3.5Å; L1220-G1232 VanDerWaalsContact CB-O 3.28Å; L1220-G1232 WeakPolarHBondContact CB-O 3.44Å; L1220-G1232 PolarHBondContact N-O 2.75Å; L1220-G1232 PolarHBondContact O-N 3.49Å; L1220-G1232 VanDerWaalsContact O-N 3.14Å; L1220-L1234 VanDerWaalsContact CD1-CA 3.47Å; L1220-L1234 HydrophobicContact CD1-CB 3.91Å; L1220-L1234 HydrophobicContact CD1-CD1 4.03Å; L1220-L1237 HydrophobicContact CB-CD1 3.44Å; L1220-L1237 VanDerWaalsContact CB-CD1 3.44Å; L1220-L1237 HydrophobicContact CB-CG 4.25Å; L1220-L1237 HydrophobicContact CD1-CB 4.12Å; L1220-L1237 HydrophobicContact CD1-CD1 4.29Å; L1220-L1237 HydrophobicContact CD1-CG 4.41Å |
| 1221 | L | 82.6 | Confident | 72.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 93.3 | -178.7 | -64.5 | -179.5 | 0 | 0 | 0 | 108.9 | F1036 I1044 G1045 I1046 I1047 L1057 Y1219 M1223 L1228 Q1231 | F1036-L1221 HydrophobicContact CB-CD2 4Å; F1036-L1221 HydrophobicContact CD1-CD1 4.26Å; F1036-L1221 HydrophobicContact CD2-CD1 4.26Å; F1036-L1221 HydrophobicContact CE1-CD1 4.42Å; F1036-L1221 HydrophobicContact CE2-CD1 4.44Å; F1036-L1221 HydrophobicContact CG-CD1 4.16Å; F1036-L1221 HydrophobicContact CG-CD2 4.34Å; I1044-L1221 HydrophobicContact CG2-CD1 3.62Å; I1044-L1221 HydrophobicContact CG2-CG 3.68Å; G1045-L1221 PolarHBondContact O-N 2.84Å; I1046-L1221 CarbonylContact C-O 3.57Å; I1046-L1221 WeakPolarHBondContact CA-O 3.27Å; I1046-L1221 HydrophobicContact CG1-CB 4.35Å; I1046-L1221 HydrophobicContact CG1-CD1 4.34Å; I1047-L1221 PolarHBondContact N-O 2.87Å; L1057-L1221 HydrophobicContact CD2-CD1 4.39Å; Y1219-L1221 HydrophobicContact CD1-CD2 4.33Å; Y1219-L1221 HydrophobicContact CE1-CD2 4.12Å; L1221-M1223 PolarHBondContact O-N 3.07Å; L1221-L1228 HydrophobicContact CB-CD1 3.62Å; L1221-L1228 HydrophobicContact CD2-CD1 3.88Å; L1221-L1228 HydrophobicContact CD2-CD2 4.11Å; L1221-L1228 HydrophobicContact CG-CD1 4.27Å; L1221-Q1231 HydrophobicContact CD2-CB 3.77Å |
| 1222 | V | 72.6 | Confident | 73.1 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 106.6 | 174.8 | 176 | 0 | 0 | 0 | 0 | 109.4 | I1047 L1228 V1229 E1230 L1237 | I1047-V1222 HydrophobicContact CB-CB 4.29Å; I1047-V1222 HydrophobicContact CB-CG2 3.69Å; I1047-V1222 HydrophobicContact CD1-CG2 3.88Å; I1047-V1222 HydrophobicContact CG1-CG2 4.3Å; I1047-V1222 HydrophobicContact CG2-CB 4.48Å; I1047-V1222 HydrophobicContact CG2-CG1 4.41Å; I1047-V1222 HydrophobicContact CG2-CG2 3.81Å; V1222-L1228 CarbonylContact O-C 3.58Å; V1222-V1229 PolarHBondContact O-N 2.9Å; V1222-E1230 HydrophobicContact CB-CB 3.8Å; V1222-E1230 HydrophobicContact CB-CG 3.97Å; V1222-E1230 HydrophobicContact CG1-CB 4.46Å; V1222-E1230 HydrophobicContact CG1-CG 4.07Å; V1222-E1230 HydrophobicContact CG2-CB 4.16Å; V1222-E1230 HydrophobicContact CG2-CG 4.42Å; V1222-E1230 PolarHBondContact N-O 3.01Å; V1222-E1230 PolarHBondContact O-N 2.86Å; V1222-E1230 VanDerWaalsContact O-N 3.12Å; V1222-L1237 HydrophobicContact CB-CD1 4.49Å; V1222-L1237 HydrophobicContact CG2-CD1 3.53Å |
| 1223 | M | 73.1 | Confident | 73.4 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.4 | 160.5 | -61.3 | -165.5 | 72.3 | 0 | 0 | 110.4 | I1046 I1047 G1048 G1053 L1057 L1221 K1227 | I1046-M1223 HydrophobicContact CG2-CG 4.22Å; I1046-M1223 HydrophobicContact CG2-SD 4.26Å; I1047-M1223 PolarHBondContact O-N 3.45Å; G1048-M1223 WeakPolarHBondContact CA-O 3.46Å; G1053-M1223 VanDerWaalsContact C-SD 3.52Å; G1053-M1223 WeakPolarHBondContact O-CE 3.37Å; L1057-M1223 HydrophobicContact CB-CE 4.2Å; L1057-M1223 HydrophobicContact CB-SD 3.55Å; L1057-M1223 VanDerWaalsContact CB-SD 3.55Å; L1057-M1223 HydrophobicContact CD2-CG 4.37Å; L1057-M1223 HydrophobicContact CD2-SD 3.65Å; L1057-M1223 HydrophobicContact CG-SD 4.25Å; L1221-M1223 PolarHBondContact O-N 3.07Å; M1223-K1227 CarbonylContact C-O 3.3Å; M1223-K1227 VanDerWaalsContact CA-O 3.23Å; M1223-K1227 WeakPolarHBondContact CA-O 3.32Å |
| 1224 | D | 60.8 | Low | 72.7 | Confident | 42 Ų | 42 | 48 Ų | 48 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 146.4 | 167.2 | 176.1 | 40.5 | 0 | 0 | 0 | 109 | R1226 K1227 V1229 | D1224-R1226 PolarHBondContact O-N 3.39Å; D1224-K1227 PolarHBondContact N-O 3.13Å; D1224-K1227 PolarHBondContact O-N 3.08Å; D1224-K1227 VanDerWaalsContact O-O 3.08Å; D1224-V1229 HydrophobicContact CB-CB 4.09Å; D1224-V1229 HydrophobicContact CB-CG2 3.79Å; D1224-V1229 VanDerWaalsContact O-CG2 3.3Å; D1224-V1229 WeakPolarHBondContact O-CG2 3.19Å |
| 1225 | H | 61.4 | Low | 72.5 | Confident | 161 Ų | 161 | 55.7 Ų | 55.7 | 75% | 0.745 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.4 | 41.8 | -173.6 | -64.4 | -65 | 0 | 0 | 0 | 114.8 | K1227 | H1225-K1227 VanDerWaalsContact C-N 3.28Å; H1225-K1227 PolarHBondContact O-N 2.86Å |
| 1226 | R | 63.9 | Low | 72.2 | Confident | 98 Ų | 98 | 55.7 Ų | 55.7 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 12.8 | 179.6 | -50.4 | 174.2 | -172.7 | 178.5 | -0.8 | 115.9 | A1032 S1052 D1224 | A1032-R1226 WeakPolarHBondContact CA-O 3.4Å; A1032-R1226 WeakPolarHBondContact CB-O 3.33Å; S1052-R1226 WeakPolarHBondContact O-CA 3.11Å; S1052-R1226 PolarHBondContact O-N 3.04Å; S1052-R1226 VanDerWaalsContact O-N 3.12Å; D1224-R1226 PolarHBondContact O-N 3.39Å |
| 1227 | K | 62.6 | Low | 71.1 | Confident | 127 Ų | 127 | 53.5 Ų | 53.5 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 155.6 | 171.2 | -66.3 | -173.8 | 177.5 | -174.7 | 0 | 110.5 | M1223 D1224 H1225 V1229 | M1223-K1227 CarbonylContact C-O 3.3Å; M1223-K1227 VanDerWaalsContact CA-O 3.23Å; M1223-K1227 WeakPolarHBondContact CA-O 3.32Å; D1224-K1227 PolarHBondContact N-O 3.13Å; D1224-K1227 PolarHBondContact O-N 3.08Å; D1224-K1227 VanDerWaalsContact O-O 3.08Å; H1225-K1227 VanDerWaalsContact C-N 3.28Å; H1225-K1227 PolarHBondContact O-N 2.86Å; K1227-V1229 VanDerWaalsContact C-N 3.3Å; K1227-V1229 HydrophobicContact CB-CG2 4.11Å; K1227-V1229 PolarHBondContact O-N 3.4Å |
| 1228 | L | 68.1 | Low | 69.6 | Low | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 90.1 | 161.1 | -174.2 | 69.8 | 0 | 0 | 0 | 108.2 | V1034 L1221 V1222 Q1231 | V1034-L1228 HydrophobicContact CG1-CB 4.21Å; V1034-L1228 HydrophobicContact CG1-CD2 4.1Å; L1221-L1228 HydrophobicContact CB-CD1 3.62Å; L1221-L1228 HydrophobicContact CD2-CD1 3.88Å; L1221-L1228 HydrophobicContact CD2-CD2 4.11Å; L1221-L1228 HydrophobicContact CG-CD1 4.27Å; V1222-L1228 CarbonylContact O-C 3.58Å; L1228-Q1231 HydrophobicContact CD2-CB 4.46Å; L1228-Q1231 HydrophobicContact CD2-CG 4.4Å |
| 1229 | V | 67.8 | Low | 68.1 | Low | 77 Ų | 77 | 63.7 Ų | 63.7 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -32.9 | -175.5 | 172.8 | 0 | 0 | 0 | 0 | 111 | V1222 D1224 K1227 | V1222-V1229 PolarHBondContact O-N 2.9Å; D1224-V1229 HydrophobicContact CB-CB 4.09Å; D1224-V1229 HydrophobicContact CB-CG2 3.79Å; D1224-V1229 VanDerWaalsContact O-CG2 3.3Å; D1224-V1229 WeakPolarHBondContact O-CG2 3.19Å; K1227-V1229 VanDerWaalsContact C-N 3.3Å; K1227-V1229 HydrophobicContact CB-CG2 4.11Å; K1227-V1229 PolarHBondContact O-N 3.4Å |
| 1230 | E | 68.9 | Low | 66.6 | Low | 37 Ų | 37 | 66 Ų | 66 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 151.8 | 175.8 | -29.5 | -177.4 | 150.6 | 0 | 0 | 112.5 | V1222 L1237 R1240 | V1222-E1230 HydrophobicContact CB-CB 3.8Å; V1222-E1230 HydrophobicContact CB-CG 3.97Å; V1222-E1230 HydrophobicContact CG1-CB 4.46Å; V1222-E1230 HydrophobicContact CG1-CG 4.07Å; V1222-E1230 HydrophobicContact CG2-CB 4.16Å; V1222-E1230 HydrophobicContact CG2-CG 4.42Å; V1222-E1230 PolarHBondContact N-O 3.01Å; V1222-E1230 PolarHBondContact O-N 2.86Å; V1222-E1230 VanDerWaalsContact O-N 3.12Å; E1230-L1237 HydrophobicContact CB-CD1 4.49Å; E1230-L1237 HydrophobicContact CB-CD2 3.93Å; E1230-R1240 VanDerWaalsContact CD-CB 3.43Å; E1230-R1240 VanDerWaalsContact OE1-CB 3.31Å; E1230-R1240 WeakPolarHBondContact OE1-CB 3.46Å; E1230-R1240 WeakPolarHBondContact OE2-CB 3.23Å |
| 1231 | Q | 77 | Confident | 64.8 | Low | 58 Ų | 58 | 76.2 Ų | 76.2 | 27% | 0.271 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.2 | 166.2 | 58.6 | -178.8 | -33.4 | 0 | 0 | 111.7 | D1035 Y1219 L1220 L1221 L1228 R1240 | D1035-Q1231 PolarHBondContact O-NE2 3.09Å; Y1219-Q1231 HydrophobicContact CE1-CB 3.9Å; Y1219-Q1231 HydrophobicContact CE1-CG 4.43Å; L1220-Q1231 VanDerWaalsContact O-CA 3.23Å; L1220-Q1231 WeakPolarHBondContact O-CA 3.33Å; L1220-Q1231 WeakPolarHBondContact O-CB 3.31Å; L1221-Q1231 HydrophobicContact CD2-CB 3.77Å; L1228-Q1231 HydrophobicContact CD2-CB 4.46Å; L1228-Q1231 HydrophobicContact CD2-CG 4.4Å; Q1231-R1240 PolarHBondContact O-NH1 2.82Å |
| 1232 | G | 74.2 | Confident | 63.2 | Low | 2 Ų | 2 | 78.1 Ų | 78.1 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.1 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1219 L1220 | Y1219-G1232 CarbonylContact C-O 3.29Å; Y1219-G1232 VanDerWaalsContact CE2-CA 3.5Å; L1220-G1232 WeakPolarHBondContact CA-O 3.5Å; L1220-G1232 VanDerWaalsContact CB-O 3.28Å; L1220-G1232 WeakPolarHBondContact CB-O 3.44Å; L1220-G1232 PolarHBondContact N-O 2.75Å; L1220-G1232 PolarHBondContact O-N 3.49Å; L1220-G1232 VanDerWaalsContact O-N 3.14Å |
| 1233 | T | 76.4 | Confident | 61.7 | Low | 50 Ų | 50 | 79 Ų | 79 | 31% | 0.307 | 38% | 0.376 | S | S | . | . | trans | -63.7 | 166.4 | 168.9 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | D1218 K1235 E1236 L1237 | D1218-T1233 WeakPolarHBondContact O-CG2 3.3Å; T1233-K1235 PolarHBondContact O-N 2.68Å; T1233-K1235 PolarHBondContact OG1-N 2.85Å; T1233-E1236 WeakPolarHBondContact CB-OE2 3.22Å; T1233-E1236 WeakPolarHBondContact CG2-OE2 3.41Å; T1233-E1236 PolarHBondContact N-OE2 2.83Å; T1233-E1236 CarbonylContact O-C 3.48Å; T1233-E1236 WeakPolarHBondContact O-CA 3.35Å; T1233-E1236 WeakPolarHBondContact O-CB 3.39Å; T1233-E1236 PolarHBondContact O-N 2.96Å; T1233-E1236 WeakPolarHBondContact OG1-CG 3.28Å; T1233-E1236 PolarHBondContact OG1-N 3.01Å; T1233-E1236 PolarHBondContact OG1-OE2 3.2Å; T1233-L1237 PolarHBondContact O-N 2.9Å | ||
| 1234 | L | 61.8 | Low | 60 | Low | 18 Ų | 18 | 79.4 Ų | 79.4 | 9% | 0.094 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.4 | -38.5 | 170.1 | 178.9 | 58 | 0 | 0 | 0 | 112.2 | L1214 T1215 L1220 E1236 L1237 Q1238 | L1214-L1234 HydrophobicContact CB-CD1 3.62Å; L1214-L1234 HydrophobicContact CB-CD2 3.92Å; L1214-L1234 HydrophobicContact CB-CG 4.23Å; L1214-L1234 HydrophobicContact CD1-CD1 3.95Å; L1214-L1234 HydrophobicContact CG-CD1 4.43Å; L1214-L1234 WeakPolarHBondContact O-CB 3.42Å; L1214-L1234 WeakPolarHBondContact O-CD2 3.47Å; T1215-L1234 HydrophobicContact CG2-CD2 3.77Å; L1220-L1234 VanDerWaalsContact CD1-CA 3.47Å; L1220-L1234 HydrophobicContact CD1-CB 3.91Å; L1220-L1234 HydrophobicContact CD1-CD1 4.03Å; L1234-E1236 PolarHBondContact O-N 2.88Å; L1234-L1237 PolarHBondContact O-N 3.41Å; L1234-Q1238 HydrophobicContact CD1-CB 3.96Å; L1234-Q1238 VanDerWaalsContact CD1-CD 3.45Å; L1234-Q1238 HydrophobicContact CD1-CG 3.46Å; L1234-Q1238 VanDerWaalsContact CD1-CG 3.46Å; L1234-Q1238 HydrophobicContact CG-CB 4.46Å; L1234-Q1238 HydrophobicContact CG-CG 4.18Å; L1234-Q1238 WeakPolarHBondContact O-CB 3.33Å; L1234-Q1238 PolarHBondContact O-N 3.33Å |
| 1235 | K | 64.1 | Low | 58.5 | Low | 169 Ų | 169 | 78.1 Ų | 78.1 | 74% | 0.735 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.6 | -0.8 | 178.3 | -70.1 | 173.5 | -178.1 | 166.6 | 0 | 113.3 | T1233 K1239 | T1233-K1235 PolarHBondContact O-N 2.68Å; T1233-K1235 PolarHBondContact OG1-N 2.85Å; K1235-K1239 VanDerWaalsContact O-CD 3.3Å; K1235-K1239 WeakPolarHBondContact O-CD 3.44Å; K1235-K1239 WeakPolarHBondContact O-CE 3.36Å; K1235-K1239 PolarHBondContact O-NZ 3.16Å |
| 1236 | E | 68.3 | Low | 56.7 | Low | 87 Ų | 87 | 72.6 Ų | 72.6 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -111 | -31.6 | 170.8 | -68.4 | 161.6 | 140.3 | 0 | 0 | 112.1 | T1233 L1234 K1239 | T1233-E1236 WeakPolarHBondContact CB-OE2 3.22Å; T1233-E1236 WeakPolarHBondContact CG2-OE2 3.41Å; T1233-E1236 PolarHBondContact N-OE2 2.83Å; T1233-E1236 CarbonylContact O-C 3.48Å; T1233-E1236 WeakPolarHBondContact O-CA 3.35Å; T1233-E1236 WeakPolarHBondContact O-CB 3.39Å; T1233-E1236 PolarHBondContact O-N 2.96Å; T1233-E1236 WeakPolarHBondContact OG1-CG 3.28Å; T1233-E1236 PolarHBondContact OG1-N 3.01Å; T1233-E1236 PolarHBondContact OG1-OE2 3.2Å; L1234-E1236 PolarHBondContact O-N 2.88Å; E1236-K1239 WeakPolarHBondContact O-CB 3.24Å; E1236-K1239 PolarHBondContact O-N 2.87Å |
| 1237 | L | 57.2 | Low | 54.6 | Low | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -93.7 | -21.3 | 178 | -54.3 | -163.2 | 0 | 0 | 0 | 114.3 | L1220 V1222 E1230 T1233 L1234 K1239 R1240 | L1220-L1237 HydrophobicContact CB-CD1 3.44Å; L1220-L1237 VanDerWaalsContact CB-CD1 3.44Å; L1220-L1237 HydrophobicContact CB-CG 4.25Å; L1220-L1237 HydrophobicContact CD1-CB 4.12Å; L1220-L1237 HydrophobicContact CD1-CD1 4.29Å; L1220-L1237 HydrophobicContact CD1-CG 4.41Å; V1222-L1237 HydrophobicContact CB-CD1 4.49Å; V1222-L1237 HydrophobicContact CG2-CD1 3.53Å; E1230-L1237 HydrophobicContact CB-CD1 4.49Å; E1230-L1237 HydrophobicContact CB-CD2 3.93Å; T1233-L1237 PolarHBondContact O-N 2.9Å; L1234-L1237 PolarHBondContact O-N 3.41Å; L1237-K1239 PolarHBondContact O-N 3.15Å; L1237-K1239 VanDerWaalsContact O-N 3.08Å; L1237-R1240 VanDerWaalsContact CD2-NH1 3.29Å; L1237-R1240 CarbonylContact O-C 3.58Å; L1237-R1240 PolarHBondContact O-N 2.86Å |
| 1238 | Q | 51.9 | Low | 52.7 | Low | 136 Ų | 136 | 67.9 Ų | 67.9 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -8.4 | 159.7 | -99.5 | 167.4 | -1.1 | 0 | 0 | 112.6 | L1234 | L1234-Q1238 HydrophobicContact CD1-CB 3.96Å; L1234-Q1238 VanDerWaalsContact CD1-CD 3.45Å; L1234-Q1238 HydrophobicContact CD1-CG 3.46Å; L1234-Q1238 VanDerWaalsContact CD1-CG 3.46Å; L1234-Q1238 HydrophobicContact CG-CB 4.46Å; L1234-Q1238 HydrophobicContact CG-CG 4.18Å; L1234-Q1238 WeakPolarHBondContact O-CB 3.33Å; L1234-Q1238 PolarHBondContact O-N 3.33Å |
| 1239 | K | 51 | Low | 50.5 | Low | 167 Ų | 167 | 72.4 Ų | 72.4 | 73% | 0.726 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.1 | 168.4 | -58.5 | 173.5 | -178.6 | 143.6 | 0 | 113 | K1235 E1236 L1237 | K1235-K1239 VanDerWaalsContact O-CD 3.3Å; K1235-K1239 WeakPolarHBondContact O-CD 3.44Å; K1235-K1239 WeakPolarHBondContact O-CE 3.36Å; K1235-K1239 PolarHBondContact O-NZ 3.16Å; E1236-K1239 WeakPolarHBondContact O-CB 3.24Å; E1236-K1239 PolarHBondContact O-N 2.87Å; L1237-K1239 PolarHBondContact O-N 3.15Å; L1237-K1239 VanDerWaalsContact O-N 3.08Å |
| 1240 | R | 53.1 | Low | 48.5 | Very low | 112 Ų | 112 | 71.1 Ų | 71.1 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -150.5 | 116.5 | -175.6 | -56 | -176.4 | -169.2 | 150.7 | 0.9 | 111.8 | E1230 Q1231 L1237 G1242 | E1230-R1240 VanDerWaalsContact CD-CB 3.43Å; E1230-R1240 VanDerWaalsContact OE1-CB 3.31Å; E1230-R1240 WeakPolarHBondContact OE1-CB 3.46Å; E1230-R1240 WeakPolarHBondContact OE2-CB 3.23Å; Q1231-R1240 PolarHBondContact O-NH1 2.82Å; L1237-R1240 VanDerWaalsContact CD2-NH1 3.29Å; L1237-R1240 CarbonylContact O-C 3.58Å; L1237-R1240 PolarHBondContact O-N 2.86Å; R1240-G1242 PolarHBondContact O-N 3.06Å |
| 1241 | K | 43.5 | Very low | 46.5 | Very low | 214 Ų | 214 | 73.7 Ų | 73.7 | 93% | 0.93 | 37% | 0.369 | S | S | * | . | trans | -86.2 | 100.1 | -155.1 | -59.8 | -179.4 | 179.5 | -176.2 | 0 | 114.6 | ||||
| 1242 | G | 50.1 | Low | 44.1 | Very low | 40 Ų | 40 | 79.4 Ų | 79.4 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | trans | -98.7 | -171.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | R1240 | R1240-G1242 PolarHBondContact O-N 3.06Š| ||
| 1243 | A | 39.9 | Very low | 42 | Very low | 22 Ų | 22 | 82 Ų | 82 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | trans | -122.8 | -65 | -130.8 | 0 | 0 | 0 | 0 | 0 | 124.5 | M1049 | M1049-A1243 HydrophobicContact CB-CB 3.9Å; M1049-A1243 HydrophobicContact CE-CB 3.88Å; M1049-A1243 HydrophobicContact CG-CB 3.65Å; M1049-A1243 VanDerWaalsContact N-CB 3.28Å; M1049-A1243 HydrophobicContact SD-CB 3.91Å | ||
| 1244 | F | 37.7 | Very low | 39.8 | Very low | 11 Ų | 11 | 85.7 Ų | 85.7 | 5% | 0.048 | 43% | 0.432 | C | S | . | . | trans | 71.9 | 0 | 167.7 | -64.9 | 157.1 | 0 | 0 | 0 | 125.1 | I1047 G1048 M1049 T1208 H1209 L1211 L1214 | I1047-F1244 HydrophobicContact CB-CD2 4.31Å; I1047-F1244 HydrophobicContact CB-CE2 3.81Å; I1047-F1244 HydrophobicContact CB-CZ 4.29Å; I1047-F1244 HydrophobicContact CD1-CZ 4.43Å; I1047-F1244 HydrophobicContact CG1-CE2 3.78Å; I1047-F1244 HydrophobicContact CG1-CZ 3.85Å; I1047-F1244 HydrophobicContact CG2-CD2 3.79Å; I1047-F1244 HydrophobicContact CG2-CE1 4.39Å; I1047-F1244 HydrophobicContact CG2-CE2 3.64Å; I1047-F1244 HydrophobicContact CG2-CG 4.34Å; I1047-F1244 HydrophobicContact CG2-CZ 3.99Å; G1048-F1244 WeakPolarHBondContact O-CA 3.3Å; G1048-F1244 PolarHBondContact O-N 3.39Å; G1048-F1244 VanDerWaalsContact O-N 3.09Å; M1049-F1244 VanDerWaalsContact CA-N 3.32Å; M1049-F1244 WeakPolarHBondContact CA-O 3.42Å; T1208-F1244 HydrophobicContact CG2-CE2 4.36Å; T1208-F1244 HydrophobicContact CG2-CZ 4.37Å; T1208-F1244 WeakPolarHBondContact O-CD2 3.39Å; T1208-F1244 WeakPolarHBondContact O-CE2 3.14Å; H1209-F1244 VanDerWaalsContact CA-CD2 3.41Å; H1209-F1244 VanDerWaalsContact CA-CG 3.41Å; H1209-F1244 HydrophobicContact CB-CB 3.69Å; H1209-F1244 HydrophobicContact CB-CD2 4.3Å; H1209-F1244 HydrophobicContact CB-CG 4.16Å; H1209-F1244 WeakPolarHBondContact O-CB 3.35Å; H1209-F1244 WeakPolarHBondContact O-CD1 3.49Å; H1209-F1244 WeakPolarHBondContact O-CE1 3.49Å; H1209-F1244 VanDerWaalsContact O-CG 3.27Å; H1209-F1244 WeakPolarHBondContact O-CG 3.48Å; L1211-F1244 HydrophobicContact CB-CE1 4.4Å; L1211-F1244 HydrophobicContact CD2-CD1 3.99Å; L1211-F1244 HydrophobicContact CD2-CE1 3.57Å; L1211-F1244 HydrophobicContact CG-CD1 3.98Å; L1211-F1244 HydrophobicContact CG-CE1 3.75Å; L1214-F1244 HydrophobicContact CD1-CE1 4.28Å; L1214-F1244 HydrophobicContact CD1-CZ 4.3Å; L1214-F1244 HydrophobicContact CD2-CZ 3.91Å; L1214-F1244 HydrophobicContact CG-CZ 4.27Å | ||
| 1245 | T | 29.3 | Very low | 38.2 | Very low | 16 Ų | 16 | 88.2 Ų | 88.2 | 10% | 0.098 | 45% | 0.447 | C | S | . | . | 0 | -84.8 | 0 | 40.2 | 0 | 0 | 0 | 0 | 133 | S1050 E1178 H1209 D1587 | S1050-T1245 VanDerWaalsContact CB-OG1 3.3Å; S1050-T1245 WeakPolarHBondContact CB-OG1 3.43Å; S1050-T1245 PolarHBondContact N-OG1 2.95Å; E1178-T1245 PolarHBondContact OE1-N 3.28Å; H1209-T1245 PolarHBondContact CE1-O 3.49Å; H1209-T1245 PolarHBondContact ND1-O 2.8Å; T1245-D1587 HydrophobicContact CG2-CB 4.05Å | |||
| 1246 | K | 24.3 | Very low | 36.7 | Very low | 45 Ų | 45 | 83.7 Ų | 83.7 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | trans | -140.2 | 139.8 | -139.1 | -73.9 | 132.5 | -167.2 | 152.4 | 0 | 126.9 | Q1096 G1585 D1587 | Q1096-K1246 VanDerWaalsContact NE2-C 3.29Å; Q1096-K1246 PolarHBondContact NE2-O 2.78Å; K1246-G1585 WeakPolarHBondContact CD-O 3.49Å; K1246-G1585 WeakPolarHBondContact CE-O 3.34Å; K1246-G1585 WeakPolarHBondContact CG-O 3.32Å; K1246-D1587 IonicContact NZ-OD2 2.57Å; K1246-D1587 PolarHBondContact NZ-OD2 2.88Å | ||
| 1247 | L | 19.8 | Very low | 35.2 | Very low | 74 Ų | 74 | 82.5 Ų | 82.5 | 39% | 0.387 | 43% | 0.428 | S | S | . | . | trans | 85.3 | 0 | 136.9 | -92.3 | 59.7 | 0 | 0 | 0 | 131.7 | N1097 | N1097-L1247 PolarHBondContact ND2-O 3.49Å; N1097-L1247 PolarHBondContact OD1-O 2.71Å; N1097-L1247 VanDerWaalsContact OD1-O 3.07Å | ||
| 1248 | S | 23 | Very low | 34.6 | Very low | 51 Ų | 51 | 88 Ų | 88 | 36% | 0.357 | 46% | 0.456 | S | S | . | . | 0 | 170.4 | 0 | 70.8 | 0 | 0 | 0 | 0 | 126.6 | N1097 H1182 | N1097-S1248 VanDerWaalsContact CG-CB 3.46Å; N1097-S1248 WeakPolarHBondContact ND2-CA 3.44Å; N1097-S1248 WeakPolarHBondContact OD1-CA 3.44Å; N1097-S1248 WeakPolarHBondContact OD1-CB 3.21Å; H1182-S1248 PolarHBondContact CD2-OG 2.89Å; H1182-S1248 PolarHBondContact CE1-OG 2.77Å; H1182-S1248 VanDerWaalsContact NE2-CB 3.33Å; H1182-S1248 WeakPolarHBondContact NE2-CB 3.41Å; H1182-S1248 PolarHBondContact NE2-N 3.24Å; H1182-S1248 PolarHBondContact NE2-OG 3.4Å | |||
| 1249 | Q | 22.3 | Very low | 34 | Very low | 126 Ų | 126 | 85 Ų | 85 | 59% | 0.589 | 44% | 0.444 | S | S | * | . | trans | 90.9 | 141.8 | 141.6 | -96.6 | -177.7 | -113.2 | 0 | 0 | 130.4 | ||||
| 1250 | A | 24.2 | Very low | 34.2 | Very low | 50 Ų | 50 | 77.6 Ų | 77.6 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | trans | 145.6 | 179.6 | 137.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | E1147 | E1147-A1250 HydrophobicContact CB-CB 4.07Å; E1147-A1250 WeakPolarHBondContact OE1-CB 3.44Å | ||
| 1251 | L | 28.1 | Very low | 33.9 | Very low | 91 Ų | 91 | 78.5 Ų | 78.5 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | trans | 75.8 | 0 | 170 | -55.9 | -178 | 0 | 0 | 0 | 125.1 | E1147 | E1147-L1251 VanDerWaalsContact OE2-CA 3.3Å; E1147-L1251 WeakPolarHBondContact OE2-CA 3.39Å; E1147-L1251 PolarHBondContact OE2-N 3.31Å | ||
| 1252 | R | 26.6 | Very low | 34 | Very low | 177 Ų | 177 | 78.1 Ų | 78.1 | 67% | 0.668 | 42% | 0.419 | S | S | * | . | 0 | 163.1 | 0 | -179.7 | 164.6 | -71 | 173 | 3.1 | 116.3 | |||||
| 1253 | G | 30.4 | Very low | 34.1 | Very low | 56 Ų | 56 | 76.8 Ų | 76.8 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | trans | -160.9 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1254 | I | 28.5 | Very low | 34.7 | Very low | 129 Ų | 129 | 76.9 Ų | 76.9 | 66% | 0.662 | 40% | 0.401 | S | S | * | . | trans | -172 | 167.7 | -170.8 | -113.5 | 151.7 | 0 | 0 | 0 | 117.1 | N1279 | I1254-N1279 PolarHBondContact O-ND2 2.96Š| ||
| 1255 | V | 29.5 | Very low | 35.4 | Very low | 70 Ų | 70 | 80.7 Ų | 80.7 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | cis | -164.7 | -156.4 | -29.3 | 157.7 | 0 | 0 | 0 | 0 | 112.4 | D1392 | V1255-D1392 HydrophobicContact CG1-CB 4.32Š| ||
| 1256 | V | 32.5 | Very low | 36.9 | Very low | 75 Ų | 75 | 83.5 Ų | 83.5 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | trans | -156.6 | 132 | -159.9 | -179.5 | 0 | 0 | 0 | 0 | 122.2 | E1272 K1391 D1392 | V1256-E1272 WeakPolarHBondContact CA-OE1 3.36Å; V1256-K1391 PolarHBondContact O-NZ 2.73Å; V1256-D1392 PolarHBondContact N-OD2 2.77Å | ||
| 1257 | F | 36.1 | Very low | 38.8 | Very low | 62 Ų | 62 | 81.4 Ų | 81.4 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | trans | 26.7 | 146.1 | 148.2 | -76.6 | -43.8 | 0 | 0 | 0 | 126.1 | P1260 G1268 E1272 K1391 | F1257-P1260 HydrophobicContact CB-CB 4.29Å; F1257-P1260 HydrophobicContact CB-CG 4.43Å; F1257-P1260 HydrophobicContact CD1-CB 3.68Å; F1257-P1260 HydrophobicContact CD1-CG 3.16Å; F1257-P1260 HydrophobicContact CE1-CB 4.19Å; F1257-P1260 HydrophobicContact CE1-CG 3.56Å; F1257-P1260 HydrophobicContact CG-CB 4.18Å; F1257-P1260 HydrophobicContact CG-CG 4.11Å; F1257-G1268 VanDerWaalsContact CE1-C 3.43Å; F1257-G1268 VanDerWaalsContact CE1-O 3.31Å; F1257-G1268 WeakPolarHBondContact CE1-O 3.43Å; F1257-G1268 WeakPolarHBondContact CZ-O 3.34Å; F1257-E1272 WeakPolarHBondContact CA-OE2 3.4Å; F1257-E1272 HydrophobicContact CD1-CB 3.38Å; F1257-E1272 HydrophobicContact CD1-CG 4.11Å; F1257-E1272 HydrophobicContact CD2-CB 3.84Å; F1257-E1272 HydrophobicContact CD2-CG 4.22Å; F1257-E1272 HydrophobicContact CE1-CB 3.15Å; F1257-E1272 HydrophobicContact CE1-CG 4.32Å; F1257-E1272 HydrophobicContact CE2-CB 3.59Å; F1257-E1272 HydrophobicContact CE2-CG 4.36Å; F1257-E1272 HydrophobicContact CG-CB 3.73Å; F1257-E1272 HydrophobicContact CG-CG 4.07Å; F1257-E1272 HydrophobicContact CZ-CB 3.23Å; F1257-E1272 HydrophobicContact CZ-CG 4.4Å; F1257-E1272 VanDerWaalsContact N-CD 3.32Å; F1257-E1272 PolarHBondContact N-OE2 3.34Å; F1257-K1391 VanDerWaalsContact C-NZ 3.34Å; F1257-K1391 WeakPolarHBondContact O-CE 3.46Å; F1257-K1391 PolarHBondContact O-NZ 3.06Å | ||
| 1258 | L | 43.9 | Very low | 40.8 | Very low | 124 Ų | 124 | 78 Ų | 78 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | trans | -171.5 | -6.8 | 136.6 | -128.7 | 174.2 | 0 | 0 | 0 | 120.2 | P1260 K1391 | L1258-P1260 CarbonylContact C-O 3.58Å; L1258-K1391 HydrophobicContact CB-CD 3.35Å | ||
| 1259 | L | 40.1 | Very low | 42.8 | Very low | 74 Ų | 74 | 78.3 Ų | 78.3 | 39% | 0.387 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -125.1 | 54.8 | 171.3 | -159.2 | 161.8 | 0 | 0 | 0 | 109.2 | V1264 T1387 N1388 | L1259-V1264 HydrophobicContact CD2-CB 4.18Å; L1259-V1264 HydrophobicContact CD2-CG1 3.96Å; L1259-V1264 HydrophobicContact CD2-CG2 3.9Å; L1259-V1264 HydrophobicContact CG-CG2 4.27Å; L1259-V1264 WeakPolarHBondContact O-CB 3.2Å; L1259-T1387 HydrophobicContact CD1-CG2 4.23Å; L1259-N1388 WeakPolarHBondContact CA-OD1 3.03Å; L1259-N1388 WeakPolarHBondContact CB-OD1 3.44Å; L1259-N1388 PolarHBondContact N-OD1 3.33Å; L1259-N1388 PolarHBondContact O-ND2 2.92Å; L1259-N1388 PolarHBondContact O-OD1 3.39Å; L1259-N1388 VanDerWaalsContact O-OD1 3.08Å |
| 1260 | P | 56.3 | Low | 45.2 | Very low | 11 Ų | 11 | 76 Ų | 76 | 7% | 0.071 | 40% | 0.4 | C | S | . | . | cis | 40.9 | 127.8 | 23.6 | -32.4 | 7.5 | 0 | 0 | 0 | 121.1 | F1257 L1258 V1264 | F1257-P1260 HydrophobicContact CB-CB 4.29Å; F1257-P1260 HydrophobicContact CB-CG 4.43Å; F1257-P1260 HydrophobicContact CD1-CB 3.68Å; F1257-P1260 HydrophobicContact CD1-CG 3.16Å; F1257-P1260 HydrophobicContact CE1-CB 4.19Å; F1257-P1260 HydrophobicContact CE1-CG 3.56Å; F1257-P1260 HydrophobicContact CG-CB 4.18Å; F1257-P1260 HydrophobicContact CG-CG 4.11Å; L1258-P1260 CarbonylContact C-O 3.58Å; P1260-V1264 VanDerWaalsContact CA-C 3.41Å; P1260-V1264 WeakPolarHBondContact CA-O 3.18Å; P1260-V1264 WeakPolarHBondContact CD-O 3.41Å; P1260-V1264 VanDerWaalsContact N-CB 3.26Å; P1260-V1264 VanDerWaalsContact O-CG2 3.23Å; P1260-V1264 WeakPolarHBondContact O-CG2 3.44Å | ||
| 1261 | L | 46.2 | Very low | 47.2 | Very low | 131 Ų | 131 | 75.7 Ų | 75.7 | 69% | 0.686 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 108.5 | -20.6 | -174.2 | -147.7 | -89.2 | 0 | 0 | 0 | 121.6 | I1265 | L1261-I1265 HydrophobicContact CD2-CD1 4.11Š|
| 1262 | W | 46.3 | Very low | 49.1 | Very low | 206 Ų | 206 | 71.7 Ų | 71.7 | 78% | 0.78 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -126.6 | -92.3 | 165.8 | -159.3 | 69.5 | 0 | 0 | 0 | 118.1 | V1264 I1265 I1266 | W1262-V1264 HydrophobicContact CB-CG2 4.06Å; W1262-V1264 VanDerWaalsContact N-C 3.34Å; W1262-V1264 CarbonylContact O-C 3.52Å; W1262-I1265 PolarHBondContact O-N 3.03Å; W1262-I1266 WeakPolarHBondContact O-CG1 3.46Å; W1262-I1266 PolarHBondContact O-N 2.76Å |
| 1263 | S | 50.8 | Low | 51.3 | Low | 12 Ų | 12 | 67.7 Ų | 67.7 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.8 | -33 | 154.1 | -178.4 | 0 | 0 | 0 | 0 | 119.5 | N1267 | S1263-N1267 WeakPolarHBondContact O-CA 2.97Å; S1263-N1267 WeakPolarHBondContact O-CB 3.33Å; S1263-N1267 PolarHBondContact O-N 3.23Å |
| 1264 | V | 53 | Low | 53.5 | Low | 24 Ų | 24 | 67.8 Ų | 67.8 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | H | α-helix | 81.8 | -115.7 | 50.4 | 49.1 | 0 | 0 | 0 | 0 | 101.6 | L1259 P1260 W1262 G1268 | L1259-V1264 HydrophobicContact CD2-CB 4.18Å; L1259-V1264 HydrophobicContact CD2-CG1 3.96Å; L1259-V1264 HydrophobicContact CD2-CG2 3.9Å; L1259-V1264 HydrophobicContact CG-CG2 4.27Å; L1259-V1264 WeakPolarHBondContact O-CB 3.2Å; P1260-V1264 VanDerWaalsContact CA-C 3.41Å; P1260-V1264 WeakPolarHBondContact CA-O 3.18Å; P1260-V1264 WeakPolarHBondContact CD-O 3.41Å; P1260-V1264 VanDerWaalsContact N-CB 3.26Å; P1260-V1264 VanDerWaalsContact O-CG2 3.23Å; P1260-V1264 WeakPolarHBondContact O-CG2 3.44Å; W1262-V1264 HydrophobicContact CB-CG2 4.06Å; W1262-V1264 VanDerWaalsContact N-C 3.34Å; W1262-V1264 CarbonylContact O-C 3.52Å; V1264-G1268 CarbonylContact O-C 3.57Å; V1264-G1268 WeakPolarHBondContact O-CA 3.45Å; V1264-G1268 PolarHBondContact O-N 2.95Å | |
| 1265 | I | 52.1 | Low | 55.5 | Low | 90 Ų | 90 | 64 Ų | 64 | 46% | 0.462 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -80.5 | -32.8 | 167.9 | -143.9 | 176.4 | 0 | 0 | 0 | 114.8 | L1261 W1262 G1268 A1269 | L1261-I1265 HydrophobicContact CD2-CD1 4.11Å; W1262-I1265 PolarHBondContact O-N 3.03Å; I1265-G1268 CarbonylContact O-C 3.48Å; I1265-G1268 VanDerWaalsContact O-C 3.3Å; I1265-G1268 PolarHBondContact O-N 2.76Å; I1265-A1269 PolarHBondContact O-N 2.94Å |
| 1266 | I | 61.6 | Low | 57.7 | Low | 76 Ų | 76 | 64.9 Ų | 64.9 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -48.2 | -173.8 | -63 | 162.8 | 0 | 0 | 0 | 110 | W1262 R1270 F1325 | W1262-I1266 WeakPolarHBondContact O-CG1 3.46Å; W1262-I1266 PolarHBondContact O-N 2.76Å; I1266-R1270 PolarHBondContact O-NE 2.86Å; I1266-R1270 PolarHBondContact O-NH1 3.17Å; I1266-F1325 HydrophobicContact CB-CE2 4.4Å; I1266-F1325 HydrophobicContact CB-CZ 4.43Å; I1266-F1325 HydrophobicContact CD1-CE2 4.31Å; I1266-F1325 HydrophobicContact CD1-CZ 4.29Å; I1266-F1325 HydrophobicContact CG2-CD2 3.97Å; I1266-F1325 HydrophobicContact CG2-CE2 3.63Å; I1266-F1325 HydrophobicContact CG2-CZ 4.12Å |
| 1267 | N | 64.4 | Low | 60 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -100.4 | 4 | 174.5 | -85.6 | 13.6 | 0 | 0 | 0 | 113.3 | S1263 R1270 Q1271 L1322 F1325 | S1263-N1267 WeakPolarHBondContact O-CA 2.97Å; S1263-N1267 WeakPolarHBondContact O-CB 3.33Å; S1263-N1267 PolarHBondContact O-N 3.23Å; N1267-R1270 CarbonylContact O-C 3.27Å; N1267-R1270 WeakPolarHBondContact O-CA 3.44Å; N1267-R1270 WeakPolarHBondContact O-CB 3.38Å; N1267-R1270 PolarHBondContact O-N 3.44Å; N1267-R1270 PolarHBondContact OD1-NH1 3.15Å; N1267-Q1271 WeakPolarHBondContact O-CB 3.27Å; N1267-Q1271 WeakPolarHBondContact O-CG 3.49Å; N1267-Q1271 PolarHBondContact O-N 2.71Å; N1267-L1322 HydrophobicContact CB-CD2 3.51Å; N1267-L1322 VanDerWaalsContact CG-CD2 3.46Å; N1267-L1322 WeakPolarHBondContact ND2-CA 3.19Å; N1267-L1322 WeakPolarHBondContact ND2-CD2 3.28Å; N1267-L1322 PolarHBondContact ND2-O 2.88Å; N1267-L1322 WeakPolarHBondContact O-CD2 3.42Å; N1267-F1325 VanDerWaalsContact ND2-CD1 3.26Å; N1267-F1325 WeakPolarHBondContact ND2-CD1 3.08Å |
| 1268 | G | 60.6 | Low | 61.9 | Low | 4 Ų | 4 | 62.1 Ų | 62.1 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | 46.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1257 V1264 I1265 | F1257-G1268 VanDerWaalsContact CE1-C 3.43Å; F1257-G1268 VanDerWaalsContact CE1-O 3.31Å; F1257-G1268 WeakPolarHBondContact CE1-O 3.43Å; F1257-G1268 WeakPolarHBondContact CZ-O 3.34Å; V1264-G1268 CarbonylContact O-C 3.57Å; V1264-G1268 WeakPolarHBondContact O-CA 3.45Å; V1264-G1268 PolarHBondContact O-N 2.95Å; I1265-G1268 CarbonylContact O-C 3.48Å; I1265-G1268 VanDerWaalsContact O-C 3.3Å; I1265-G1268 PolarHBondContact O-N 2.76Å |
| 1269 | A | 66.3 | Low | 63.3 | Low | 57 Ų | 57 | 58.3 Ų | 58.3 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | -82.1 | -18.5 | 106.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1265 Q1273 | I1265-A1269 PolarHBondContact O-N 2.94Å; A1269-Q1273 WeakPolarHBondContact O-CB 3.42Å | |
| 1270 | R | 72.2 | Confident | 65.1 | Low | 78 Ų | 78 | 60.3 Ų | 60.3 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -94.9 | -37.4 | -169.9 | -60.9 | 173.7 | -169.6 | 139.8 | 5.6 | 115 | I1266 N1267 Q1273 Q1274 V1318 L1322 | I1266-R1270 PolarHBondContact O-NE 2.86Å; I1266-R1270 PolarHBondContact O-NH1 3.17Å; N1267-R1270 CarbonylContact O-C 3.27Å; N1267-R1270 WeakPolarHBondContact O-CA 3.44Å; N1267-R1270 WeakPolarHBondContact O-CB 3.38Å; N1267-R1270 PolarHBondContact O-N 3.44Å; N1267-R1270 PolarHBondContact OD1-NH1 3.15Å; R1270-Q1273 CarbonylContact O-C 3.5Å; R1270-Q1273 WeakPolarHBondContact O-CB 3.43Å; R1270-Q1273 PolarHBondContact O-N 3.13Å; R1270-Q1274 WeakPolarHBondContact O-CB 3.38Å; R1270-Q1274 PolarHBondContact O-N 3.06Å; R1270-V1318 HydrophobicContact CB-CG1 4.03Å; R1270-V1318 WeakPolarHBondContact O-CG1 3.49Å; R1270-L1322 HydrophobicContact CB-CD2 3.5Å; R1270-L1322 HydrophobicContact CB-CG 4.07Å |
| 1271 | Q | 66.7 | Low | 66.3 | Low | 43 Ų | 43 | 60.2 Ų | 60.2 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.5 | -31.3 | -178.7 | -87.4 | -177.9 | -43.1 | 0 | 0 | 113.6 | N1267 Q1274 K1275 L1322 | N1267-Q1271 WeakPolarHBondContact O-CB 3.27Å; N1267-Q1271 WeakPolarHBondContact O-CG 3.49Å; N1267-Q1271 PolarHBondContact O-N 2.71Å; Q1271-Q1274 WeakPolarHBondContact O-CB 3.46Å; Q1271-K1275 WeakPolarHBondContact O-CB 3.35Å; Q1271-K1275 PolarHBondContact O-N 3.27Å; Q1271-L1322 HydrophobicContact CG-CD1 4.15Å; Q1271-L1322 HydrophobicContact CG-CD2 3.93Å |
| 1272 | E | 66.6 | Low | 67.7 | Low | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -83.1 | -26.8 | 170.1 | -154.4 | 77.6 | -145.6 | 0 | 0 | 111.9 | V1256 F1257 Q1274 K1275 Q1276 | V1256-E1272 WeakPolarHBondContact CA-OE1 3.36Å; F1257-E1272 WeakPolarHBondContact CA-OE2 3.4Å; F1257-E1272 HydrophobicContact CD1-CB 3.38Å; F1257-E1272 HydrophobicContact CD1-CG 4.11Å; F1257-E1272 HydrophobicContact CD2-CB 3.84Å; F1257-E1272 HydrophobicContact CD2-CG 4.22Å; F1257-E1272 HydrophobicContact CE1-CB 3.15Å; F1257-E1272 HydrophobicContact CE1-CG 4.32Å; F1257-E1272 HydrophobicContact CE2-CB 3.59Å; F1257-E1272 HydrophobicContact CE2-CG 4.36Å; F1257-E1272 HydrophobicContact CG-CB 3.73Å; F1257-E1272 HydrophobicContact CG-CG 4.07Å; F1257-E1272 HydrophobicContact CZ-CB 3.23Å; F1257-E1272 HydrophobicContact CZ-CG 4.4Å; F1257-E1272 VanDerWaalsContact N-CD 3.32Å; F1257-E1272 PolarHBondContact N-OE2 3.34Å; E1272-Q1274 VanDerWaalsContact C-N 3.29Å; E1272-K1275 PolarHBondContact O-N 3.31Å; E1272-K1275 WeakPolarHBondContact OE1-CD 3.37Å; E1272-K1275 WeakPolarHBondContact OE1-CE 3.26Å; E1272-K1275 IonicContact OE1-NZ 3.31Å; E1272-K1275 PolarHBondContact OE1-NZ 2.6Å; E1272-K1275 IonicContact OE2-NZ 3.12Å; E1272-K1275 PolarHBondContact OE2-NZ 3.45Å; E1272-Q1276 HydrophobicContact CG-CG 4.17Å; E1272-Q1276 WeakPolarHBondContact O-CB 3.38Å; E1272-Q1276 WeakPolarHBondContact O-CG 3.47Å; E1272-Q1276 PolarHBondContact O-N 2.58Å |
| 1273 | Q | 74.4 | Confident | 69 | Low | 93 Ų | 93 | 48.6 Ų | 48.6 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 166.6 | -173.6 | -180 | 4.5 | 0 | 0 | 109.7 | A1269 R1270 M1277 V1318 | A1269-Q1273 WeakPolarHBondContact O-CB 3.42Å; R1270-Q1273 CarbonylContact O-C 3.5Å; R1270-Q1273 WeakPolarHBondContact O-CB 3.43Å; R1270-Q1273 PolarHBondContact O-N 3.13Å; Q1273-M1277 HydrophobicContact CG-CG 4.45Å; Q1273-M1277 HydrophobicContact CG-SD 3.74Å; Q1273-M1277 WeakPolarHBondContact O-CB 3.39Å; Q1273-M1277 WeakPolarHBondContact O-CG 3.33Å; Q1273-M1277 PolarHBondContact O-N 2.99Å; Q1273-V1318 HydrophobicContact CG-CG2 4.23Å |
| 1274 | Q | 76.6 | Confident | 70.3 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 170.9 | 179.8 | -156.8 | -5.1 | 0 | 0 | 111.9 | R1270 Q1271 E1272 M1277 K1278 L1315 V1318 N1319 L1322 | R1270-Q1274 WeakPolarHBondContact O-CB 3.38Å; R1270-Q1274 PolarHBondContact O-N 3.06Å; Q1271-Q1274 WeakPolarHBondContact O-CB 3.46Å; E1272-Q1274 VanDerWaalsContact C-N 3.29Å; Q1274-M1277 PolarHBondContact O-N 3.34Å; Q1274-K1278 VanDerWaalsContact O-CB 3.3Å; Q1274-K1278 WeakPolarHBondContact O-CB 3.23Å; Q1274-K1278 PolarHBondContact O-N 3.08Å; Q1274-L1315 HydrophobicContact CB-CD1 4.25Å; Q1274-L1315 HydrophobicContact CG-CD1 3.78Å; Q1274-V1318 HydrophobicContact CB-CG1 4.1Å; Q1274-N1319 WeakPolarHBondContact CG-OD1 3.41Å; Q1274-L1322 HydrophobicContact CB-CD1 4.23Å; Q1274-L1322 HydrophobicContact CG-CD1 4.43Å |
| 1275 | K | 70.3 | Confident | 71.6 | Confident | 51 Ų | 51 | 48 Ų | 48 | 22% | 0.222 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.2 | -37 | -179.8 | -178.8 | 174.3 | 150.4 | -142.4 | 0 | 112.6 | Q1271 E1272 N1279 D1392 | Q1271-K1275 WeakPolarHBondContact O-CB 3.35Å; Q1271-K1275 PolarHBondContact O-N 3.27Å; E1272-K1275 PolarHBondContact O-N 3.31Å; E1272-K1275 WeakPolarHBondContact OE1-CD 3.37Å; E1272-K1275 WeakPolarHBondContact OE1-CE 3.26Å; E1272-K1275 IonicContact OE1-NZ 3.31Å; E1272-K1275 PolarHBondContact OE1-NZ 2.6Å; E1272-K1275 IonicContact OE2-NZ 3.12Å; E1272-K1275 PolarHBondContact OE2-NZ 3.45Å; K1275-N1279 WeakPolarHBondContact O-CB 3.47Å; K1275-N1279 PolarHBondContact O-N 3.14Å; K1275-N1279 PolarHBondContact O-OD1 3.35Å; K1275-D1392 IonicContact NZ-OD2 3.7Å; K1275-D1392 PolarHBondContact NZ-OD2 3.42Å |
| 1276 | Q | 74.7 | Confident | 72.7 | Confident | 88 Ų | 88 | 46.1 Ų | 46.1 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.3 | -44.6 | 173 | -74.2 | 167.1 | -2.4 | 0 | 0 | 110.7 | E1272 N1279 E1280 | E1272-Q1276 HydrophobicContact CG-CG 4.17Å; E1272-Q1276 WeakPolarHBondContact O-CB 3.38Å; E1272-Q1276 WeakPolarHBondContact O-CG 3.47Å; E1272-Q1276 PolarHBondContact O-N 2.58Å; Q1276-N1279 CarbonylContact O-C 3.5Å; Q1276-N1279 PolarHBondContact O-N 3.35Å; Q1276-E1280 VanDerWaalsContact O-CB 3.24Å; Q1276-E1280 WeakPolarHBondContact O-CB 3.38Å; Q1276-E1280 PolarHBondContact O-N 3.49Å |
| 1277 | M | 80.1 | Confident | 73.4 | Confident | 41 Ų | 41 | 42.6 Ų | 42.6 | 20% | 0.202 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -35.4 | 175.1 | -71 | 172.8 | 72.4 | 0 | 0 | 112.1 | Q1273 Q1274 L1281 A1314 L1315 V1318 | Q1273-M1277 HydrophobicContact CG-CG 4.45Å; Q1273-M1277 HydrophobicContact CG-SD 3.74Å; Q1273-M1277 WeakPolarHBondContact O-CB 3.39Å; Q1273-M1277 WeakPolarHBondContact O-CG 3.33Å; Q1273-M1277 PolarHBondContact O-N 2.99Å; Q1274-M1277 PolarHBondContact O-N 3.34Å; M1277-L1281 VanDerWaalsContact O-CB 3.27Å; M1277-L1281 WeakPolarHBondContact O-CB 3.28Å; M1277-L1281 PolarHBondContact O-N 3.03Å; M1277-A1314 VanDerWaalsContact CE-C 3.43Å; M1277-A1314 HydrophobicContact CE-CB 3.6Å; M1277-L1315 HydrophobicContact CB-CD1 3.96Å; M1277-L1315 HydrophobicContact CE-CB 4.31Å; M1277-V1318 HydrophobicContact SD-CG2 3.99Å |
| 1278 | K | 76.5 | Confident | 74.1 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.1 | -36.6 | 172.5 | -176.3 | 163.5 | 175.2 | 169.6 | 0 | 111.7 | D805 D808 Q1274 L1281 Y1282 | D805-K1278 IonicContact OD1-NZ 3.73Å; D805-K1278 PolarHBondContact OD1-NZ 2.91Å; D808-K1278 IonicContact OD2-NZ 2.65Å; D808-K1278 PolarHBondContact OD2-NZ 3Å; Q1274-K1278 VanDerWaalsContact O-CB 3.3Å; Q1274-K1278 WeakPolarHBondContact O-CB 3.23Å; Q1274-K1278 PolarHBondContact O-N 3.08Å; K1278-L1281 CarbonylContact O-C 3.53Å; K1278-L1281 PolarHBondContact O-N 3.39Å; K1278-Y1282 HydrophobicContact CD-CE2 4.12Å; K1278-Y1282 VanDerWaalsContact CE-CE2 3.48Å; K1278-Y1282 WeakPolarHBondContact CE-OH 3.24Å; K1278-Y1282 HydrophobicContact CG-CD2 3.94Å; K1278-Y1282 HydrophobicContact CG-CE2 3.67Å; K1278-Y1282 WeakPolarHBondContact O-CD2 3.01Å; K1278-Y1282 PolarHBondContact O-N 3.07Å |
| 1279 | N | 73.8 | Confident | 74.8 | Confident | 45 Ų | 45 | 42.8 Ų | 42.8 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 170.6 | -74.6 | 0.6 | 0 | 0 | 0 | 112.1 | I1254 K1275 Q1276 Y1282 S1283 | I1254-N1279 PolarHBondContact O-ND2 2.96Å; K1275-N1279 WeakPolarHBondContact O-CB 3.47Å; K1275-N1279 PolarHBondContact O-N 3.14Å; K1275-N1279 PolarHBondContact O-OD1 3.35Å; Q1276-N1279 CarbonylContact O-C 3.5Å; Q1276-N1279 PolarHBondContact O-N 3.35Å; N1279-Y1282 PolarHBondContact O-N 3.01Å; N1279-S1283 WeakPolarHBondContact O-CB 3.4Å; N1279-S1283 PolarHBondContact O-N 3.44Å |
| 1280 | E | 77.6 | Confident | 75.2 | Confident | 116 Ų | 116 | 43.8 Ų | 43.8 | 54% | 0.542 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.6 | -35 | 172.8 | -170 | 164.4 | -138.9 | 0 | 0 | 110.3 | Q1276 S1283 D1284 | Q1276-E1280 VanDerWaalsContact O-CB 3.24Å; Q1276-E1280 WeakPolarHBondContact O-CB 3.38Å; Q1276-E1280 PolarHBondContact O-N 3.49Å; E1280-S1283 PolarHBondContact O-N 3Å; E1280-D1284 WeakPolarHBondContact O-CB 3.21Å; E1280-D1284 PolarHBondContact O-N 2.78Å |
| 1281 | L | 80.7 | Confident | 75.3 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.6 | -36.7 | 172.6 | -152.4 | 72.7 | 0 | 0 | 0 | 112.7 | L804 M1277 K1278 L1285 L1315 | L804-L1281 HydrophobicContact CD2-CD2 3.71Å; L804-L1281 HydrophobicContact CD2-CG 4.07Å; M1277-L1281 VanDerWaalsContact O-CB 3.27Å; M1277-L1281 WeakPolarHBondContact O-CB 3.28Å; M1277-L1281 PolarHBondContact O-N 3.03Å; K1278-L1281 CarbonylContact O-C 3.53Å; K1278-L1281 PolarHBondContact O-N 3.39Å; L1281-L1285 WeakPolarHBondContact O-CB 3.38Å; L1281-L1285 PolarHBondContact O-N 3.29Å; L1281-L1315 HydrophobicContact CD2-CD2 4.23Å |
| 1282 | Y | 75.7 | Confident | 75.8 | Confident | 66 Ų | 66 | 38.2 Ų | 38.2 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 169 | -79.7 | -69.9 | 0 | 0 | 0 | 111 | V800 L804 D805 K1278 N1279 T1286 | V800-Y1282 HydrophobicContact CG1-CD1 4.1Å; L804-Y1282 HydrophobicContact CB-CE1 4.16Å; L804-Y1282 HydrophobicContact CD1-CD1 3.27Å; L804-Y1282 HydrophobicContact CD1-CE1 3.69Å; L804-Y1282 HydrophobicContact CD1-CG 3.81Å; D805-Y1282 PolarHBondContact OD1-OH 2.92Å; D805-Y1282 WeakPolarHBondContact OD2-CE1 3.25Å; D805-Y1282 PolarHBondContact OD2-OH 2.85Å; K1278-Y1282 HydrophobicContact CD-CE2 4.12Å; K1278-Y1282 VanDerWaalsContact CE-CE2 3.48Å; K1278-Y1282 WeakPolarHBondContact CE-OH 3.24Å; K1278-Y1282 HydrophobicContact CG-CD2 3.94Å; K1278-Y1282 HydrophobicContact CG-CE2 3.67Å; K1278-Y1282 WeakPolarHBondContact O-CD2 3.01Å; K1278-Y1282 PolarHBondContact O-N 3.07Å; N1279-Y1282 PolarHBondContact O-N 3.01Å; Y1282-T1286 VanDerWaalsContact O-CB 3.24Å; Y1282-T1286 WeakPolarHBondContact O-CB 3.45Å; Y1282-T1286 PolarHBondContact O-N 3.01Å; Y1282-T1286 PolarHBondContact O-OG1 3.43Å |
| 1283 | S | 73.7 | Confident | 76.1 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 19% | 0.189 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -56.4 | -179.3 | -164.6 | 0 | 0 | 0 | 0 | 109.2 | Q1102 N1279 E1280 L1285 T1286 D1287 | Q1102-S1283 PolarHBondContact NE2-OG 2.91Å; Q1102-S1283 PolarHBondContact OE1-OG 3.42Å; N1279-S1283 WeakPolarHBondContact O-CB 3.4Å; N1279-S1283 PolarHBondContact O-N 3.44Å; E1280-S1283 PolarHBondContact O-N 3Å; S1283-L1285 PolarHBondContact O-N 2.97Å; S1283-T1286 CarbonylContact O-C 3.58Å; S1283-T1286 WeakPolarHBondContact O-CA 3.41Å; S1283-T1286 WeakPolarHBondContact O-CB 3.48Å; S1283-T1286 PolarHBondContact O-N 2.94Å; S1283-D1287 WeakPolarHBondContact O-CB 3.44Å; S1283-D1287 PolarHBondContact O-N 2.76Å |
| 1284 | D | 78.5 | Confident | 76.1 | Confident | 22 Ų | 22 | 35 Ų | 35 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 177.3 | -176.9 | 81.4 | 0 | 0 | 0 | 112.5 | R1103 E1280 D1287 N1288 Y1304 | R1103-D1284 IonicContact CZ-OD1 3.98Å; R1103-D1284 IonicContact NH2-OD1 3.86Å; R1103-D1284 PolarHBondContact NH2-OD1 3Å; E1280-D1284 WeakPolarHBondContact O-CB 3.21Å; E1280-D1284 PolarHBondContact O-N 2.78Å; D1284-D1287 PolarHBondContact O-N 3.04Å; D1284-N1288 VanDerWaalsContact O-CB 3.24Å; D1284-N1288 WeakPolarHBondContact O-CB 3.21Å; D1284-N1288 PolarHBondContact O-N 3.48Å; D1284-N1288 PolarHBondContact O-ND2 3.12Å; D1284-N1288 PolarHBondContact OD1-ND2 3.1Å; D1284-N1288 PolarHBondContact OD2-ND2 3.41Å; D1284-Y1304 WeakPolarHBondContact OD2-CE2 3.3Å |
| 1285 | L | 80.2 | Confident | 76.1 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 172.3 | -175 | 64.4 | 0 | 0 | 0 | 111.8 | L780 V800 A803 L804 L1281 S1283 N1288 V1289 Y1304 | L780-L1285 HydrophobicContact CD2-CD1 3.8Å; V800-L1285 HydrophobicContact CG1-CD2 4.28Å; V800-L1285 HydrophobicContact CG2-CG 4.39Å; A803-L1285 HydrophobicContact CB-CD2 3.98Å; L804-L1285 HydrophobicContact CD1-CB 4.3Å; L804-L1285 HydrophobicContact CD1-CD2 3.7Å; L804-L1285 HydrophobicContact CD2-CD2 4.11Å; L804-L1285 HydrophobicContact CG-CD2 3.58Å; L1281-L1285 WeakPolarHBondContact O-CB 3.38Å; L1281-L1285 PolarHBondContact O-N 3.29Å; S1283-L1285 PolarHBondContact O-N 2.97Å; L1285-N1288 PolarHBondContact O-N 3.47Å; L1285-V1289 HydrophobicContact CD1-CG2 3.77Å; L1285-V1289 HydrophobicContact CG-CG2 4.06Å; L1285-V1289 WeakPolarHBondContact O-CB 3.34Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.47Å; L1285-V1289 PolarHBondContact O-N 2.94Å; L1285-Y1304 HydrophobicContact CD1-CE1 4.45Å; L1285-Y1304 WeakPolarHBondContact CD1-OH 3.29Å |
| 1286 | T | 76.2 | Confident | 76.2 | Confident | 49 Ų | 49 | 31.2 Ų | 31.2 | 30% | 0.301 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66.6 | -43.7 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | Y1282 S1283 N1288 V1289 L1290 | Y1282-T1286 VanDerWaalsContact O-CB 3.24Å; Y1282-T1286 WeakPolarHBondContact O-CB 3.45Å; Y1282-T1286 PolarHBondContact O-N 3.01Å; Y1282-T1286 PolarHBondContact O-OG1 3.43Å; S1283-T1286 CarbonylContact O-C 3.58Å; S1283-T1286 WeakPolarHBondContact O-CA 3.41Å; S1283-T1286 WeakPolarHBondContact O-CB 3.48Å; S1283-T1286 PolarHBondContact O-N 2.94Å; T1286-N1288 VanDerWaalsContact C-N 3.31Å; T1286-N1288 PolarHBondContact O-N 2.92Å; T1286-V1289 PolarHBondContact O-N 3.03Å; T1286-L1290 HydrophobicContact CG2-CD1 3.91Å; T1286-L1290 HydrophobicContact CG2-CG 4.34Å; T1286-L1290 VanDerWaalsContact O-CB 3.29Å; T1286-L1290 WeakPolarHBondContact O-CB 3.41Å; T1286-L1290 VanDerWaalsContact O-CG 3.24Å; T1286-L1290 WeakPolarHBondContact O-CG 3.37Å; T1286-L1290 PolarHBondContact O-N 3.37Å |
| 1287 | D | 76.5 | Confident | 75.9 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -43.8 | 177.1 | -151.4 | 71.7 | 0 | 0 | 0 | 110.2 | Y1099 F1101 Q1102 S1283 D1284 G1291 | Y1099-D1287 HydrophobicContact CE1-CB 4.39Å; Y1099-D1287 WeakPolarHBondContact CE1-O 3.29Å; Y1099-D1287 WeakPolarHBondContact OH-CA 3.17Å; Y1099-D1287 PolarHBondContact OH-OD1 3.35Å; F1101-D1287 WeakPolarHBondContact CA-OD2 3Å; F1101-D1287 WeakPolarHBondContact CB-OD2 3.33Å; F1101-D1287 WeakPolarHBondContact CD1-OD2 3.14Å; Q1102-D1287 WeakPolarHBondContact CG-OD1 3.12Å; Q1102-D1287 PolarHBondContact N-OD1 2.92Å; Q1102-D1287 PolarHBondContact N-OD2 3.11Å; Q1102-D1287 PolarHBondContact NE2-OD1 3.43Å; S1283-D1287 WeakPolarHBondContact O-CB 3.44Å; S1283-D1287 PolarHBondContact O-N 2.76Å; D1284-D1287 PolarHBondContact O-N 3.04Å; D1287-G1291 WeakPolarHBondContact O-CA 3.46Å; D1287-G1291 PolarHBondContact O-N 2.91Å |
| 1288 | N | 78.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -89.6 | -16.3 | -178.1 | -60.4 | -52.2 | 0 | 0 | 0 | 114.4 | F1101 D1284 L1285 T1286 G1291 V1292 W1295 Y1304 | F1101-N1288 WeakPolarHBondContact CD1-OD1 3.31Å; F1101-N1288 VanDerWaalsContact CE1-OD1 3.29Å; F1101-N1288 WeakPolarHBondContact CE1-OD1 3.45Å; D1284-N1288 VanDerWaalsContact O-CB 3.24Å; D1284-N1288 WeakPolarHBondContact O-CB 3.21Å; D1284-N1288 PolarHBondContact O-N 3.48Å; D1284-N1288 PolarHBondContact O-ND2 3.12Å; D1284-N1288 PolarHBondContact OD1-ND2 3.1Å; D1284-N1288 PolarHBondContact OD2-ND2 3.41Å; L1285-N1288 PolarHBondContact O-N 3.47Å; T1286-N1288 VanDerWaalsContact C-N 3.31Å; T1286-N1288 PolarHBondContact O-N 2.92Å; N1288-G1291 CarbonylContact O-C 3.58Å; N1288-V1292 WeakPolarHBondContact O-CA 3.36Å; N1288-V1292 PolarHBondContact O-N 3.37Å; N1288-W1295 VanDerWaalsContact CG-NE1 3.29Å; N1288-W1295 WeakPolarHBondContact OD1-CZ2 3.42Å; N1288-W1295 PolarHBondContact OD1-NE1 3.45Å; N1288-Y1304 HydrophobicContact CB-CD2 4.02Å; N1288-Y1304 HydrophobicContact CB-CE2 3.66Å; N1288-Y1304 WeakPolarHBondContact ND2-CE2 3.45Å |
| 1289 | V | 75.7 | Confident | 75.1 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -82.9 | -35 | 168.4 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | V791 T796 V800 L1285 T1286 V1292 | V791-V1289 HydrophobicContact CB-CG1 4.41Å; V791-V1289 HydrophobicContact CG1-CG1 3.6Å; V791-V1289 HydrophobicContact CG2-CG1 3.84Å; T796-V1289 HydrophobicContact CG2-CG1 3.99Å; V800-V1289 HydrophobicContact CG2-CB 4.4Å; V800-V1289 HydrophobicContact CG2-CG1 4.46Å; V800-V1289 HydrophobicContact CG2-CG2 4.46Å; L1285-V1289 HydrophobicContact CD1-CG2 3.77Å; L1285-V1289 HydrophobicContact CG-CG2 4.06Å; L1285-V1289 WeakPolarHBondContact O-CB 3.34Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.47Å; L1285-V1289 PolarHBondContact O-N 2.94Å; T1286-V1289 PolarHBondContact O-N 3.03Å; V1289-V1292 WeakPolarHBondContact O-CB 3.36Å; V1289-V1292 VanDerWaalsContact O-CG1 3.31Å; V1289-V1292 WeakPolarHBondContact O-CG1 3.35Å |
| 1290 | L | 74.4 | Confident | 75.1 | Confident | 78 Ų | 78 | 27.5 Ų | 27.5 | 41% | 0.408 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68.8 | -45.9 | 166.9 | -69.6 | 172.1 | 0 | 0 | 0 | 110.6 | T796 Y1099 T1286 V1292 | T796-L1290 HydrophobicContact CG2-CD2 3.91Å; T796-L1290 HydrophobicContact CG2-CG 4.24Å; Y1099-L1290 HydrophobicContact CD2-CB 4.3Å; Y1099-L1290 HydrophobicContact CE2-CB 3.65Å; Y1099-L1290 HydrophobicContact CE2-CD1 4.16Å; T1286-L1290 HydrophobicContact CG2-CD1 3.91Å; T1286-L1290 HydrophobicContact CG2-CG 4.34Å; T1286-L1290 VanDerWaalsContact O-CB 3.29Å; T1286-L1290 WeakPolarHBondContact O-CB 3.41Å; T1286-L1290 VanDerWaalsContact O-CG 3.24Å; T1286-L1290 WeakPolarHBondContact O-CG 3.37Å; T1286-L1290 PolarHBondContact O-N 3.37Å; L1290-V1292 PolarHBondContact O-N 3.37Å |
| 1291 | G | 74.5 | Confident | 75 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 14.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1287 N1288 S1293 D1294 W1295 | D1287-G1291 WeakPolarHBondContact O-CA 3.46Å; D1287-G1291 PolarHBondContact O-N 2.91Å; N1288-G1291 CarbonylContact O-C 3.58Å; G1291-S1293 PolarHBondContact O-N 3.36Å; G1291-D1294 PolarHBondContact O-N 2.75Å; G1291-W1295 PolarHBondContact O-N 3.01Å |
| 1292 | V | 76.7 | Confident | 74.8 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.9 | -32.3 | -173.4 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | F784 P788 N1288 V1289 L1290 W1295 I1296 | F784-V1292 HydrophobicContact CD1-CG2 3.79Å; F784-V1292 HydrophobicContact CE1-CG2 3.76Å; P788-V1292 HydrophobicContact CB-CG1 3.96Å; N1288-V1292 WeakPolarHBondContact O-CA 3.36Å; N1288-V1292 PolarHBondContact O-N 3.37Å; V1289-V1292 WeakPolarHBondContact O-CB 3.36Å; V1289-V1292 VanDerWaalsContact O-CG1 3.31Å; V1289-V1292 WeakPolarHBondContact O-CG1 3.35Å; L1290-V1292 PolarHBondContact O-N 3.37Å; V1292-W1295 PolarHBondContact O-N 3.47Å; V1292-I1296 HydrophobicContact CG2-CD1 4.24Å; V1292-I1296 WeakPolarHBondContact O-CG1 3.14Å; V1292-I1296 PolarHBondContact O-N 3.5Å |
| 1293 | S | 72.6 | Confident | 74.9 | Confident | 28 Ų | 28 | 26.7 Ų | 26.7 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -49.1 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 113 | G1291 W1295 I1296 F1297 | G1291-S1293 PolarHBondContact O-N 3.36Å; S1293-W1295 VanDerWaalsContact C-N 3.28Å; S1293-W1295 PolarHBondContact O-N 3.09Å; S1293-I1296 PolarHBondContact O-N 3.06Å; S1293-F1297 WeakPolarHBondContact O-CD2 3.29Å; S1293-F1297 PolarHBondContact O-N 3.23Å |
| 1294 | D | 74.2 | Confident | 75.1 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.3 | -30.2 | -177.4 | -75.7 | 0.5 | 0 | 0 | 0 | 111.1 | F1101 F1111 R1164 G1291 S1298 | F1101-D1294 HydrophobicContact CE2-CB 4.22Å; F1101-D1294 HydrophobicContact CZ-CB 3.93Å; F1111-D1294 HydrophobicContact CE1-CB 3.86Å; F1111-D1294 HydrophobicContact CZ-CB 4.13Å; R1164-D1294 IonicContact NH1-OD2 3.78Å; R1164-D1294 PolarHBondContact NH1-OD2 3.09Å; R1164-D1294 VanDerWaalsContact NH1-OD2 3.08Å; G1291-D1294 PolarHBondContact O-N 2.75Å; D1294-S1298 VanDerWaalsContact O-CB 3.29Å; D1294-S1298 WeakPolarHBondContact O-CB 3.42Å; D1294-S1298 PolarHBondContact O-N 3.4Å; D1294-S1298 PolarHBondContact O-OG 2.97Å |
| 1295 | W | 76.7 | Confident | 75.2 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 2% | 0.019 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.3 | -32.8 | 172.9 | -76 | 106.7 | 0 | 0 | 0 | 114.1 | F784 F1101 F1111 N1288 G1291 V1292 S1293 S1298 R1300 G1301 D1303 Y1304 | F784-W1295 HydrophobicContact CD1-CB 4.43Å; F784-W1295 HydrophobicContact CE1-CB 3.84Å; F784-W1295 HydrophobicContact CE1-CG 4.35Å; F1101-W1295 AromaticContact CE1-NE1 3.52Å; F1101-W1295 AromaticContact CZ-NE1 3.9Å; F1111-W1295 HydrophobicContact CE2-CD2 4.37Å; F1111-W1295 AromaticContact CE2-CE2 3.98Å; F1111-W1295 HydrophobicContact CE2-CH2 4.28Å; F1111-W1295 AromaticContact CE2-CZ2 3.95Å; F1111-W1295 HydrophobicContact CE2-CZ2 3.95Å; F1111-W1295 AromaticContact CZ-CD2 3.96Å; F1111-W1295 HydrophobicContact CZ-CD2 3.96Å; F1111-W1295 HydrophobicContact CZ-CE3 4.22Å; F1111-W1295 HydrophobicContact CZ-CG 4.38Å; F1111-W1295 HydrophobicContact CZ-CZ2 4.38Å; N1288-W1295 VanDerWaalsContact CG-NE1 3.29Å; N1288-W1295 WeakPolarHBondContact OD1-CZ2 3.42Å; N1288-W1295 PolarHBondContact OD1-NE1 3.45Å; G1291-W1295 PolarHBondContact O-N 3.01Å; V1292-W1295 PolarHBondContact O-N 3.47Å; S1293-W1295 VanDerWaalsContact C-N 3.28Å; S1293-W1295 PolarHBondContact O-N 3.09Å; W1295-S1298 WeakPolarHBondContact CA-OG 3.26Å; W1295-S1298 PolarHBondContact O-OG 3.25Å; W1295-R1300 HydrophobicContact CE3-CB 3.78Å; W1295-R1300 VanDerWaalsContact CE3-O 3.3Å; W1295-R1300 HydrophobicContact CZ3-CB 3.84Å; W1295-R1300 WeakPolarHBondContact CZ3-O 3.21Å; W1295-R1300 PolarHBondContact O-N 3.43Å; W1295-R1300 VanDerWaalsContact O-N 3.12Å; W1295-G1301 PolarHBondContact O-N 2.67Å; W1295-G1301 VanDerWaalsContact O-N 3.12Å; W1295-D1303 HydrophobicContact CZ3-CB 4.47Å; W1295-Y1304 HydrophobicContact CH2-CD2 4.3Å; W1295-Y1304 AromaticContact CZ2-CD2 3.91Å; W1295-Y1304 HydrophobicContact CZ2-CD2 3.91Å; W1295-Y1304 HydrophobicContact CZ2-CG 4.46Å |
| 1296 | I | 72.4 | Confident | 75.3 | Confident | 25 Ų | 25 | 27.6 Ų | 27.6 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73.6 | -45.2 | 174.3 | -63.2 | 163.1 | 0 | 0 | 0 | 109.8 | F784 F1064 V1292 S1293 Q1299 | F784-I1296 HydrophobicContact CD1-CG1 4.46Å; F1064-I1296 HydrophobicContact CE1-CB 3.94Å; F1064-I1296 HydrophobicContact CE1-CD1 4.04Å; F1064-I1296 HydrophobicContact CE1-CG2 3.79Å; V1292-I1296 HydrophobicContact CG2-CD1 4.24Å; V1292-I1296 WeakPolarHBondContact O-CG1 3.14Å; V1292-I1296 PolarHBondContact O-N 3.5Å; S1293-I1296 PolarHBondContact O-N 3.06Å; I1296-Q1299 WeakPolarHBondContact O-CA 3.37Å; I1296-Q1299 PolarHBondContact O-N 3.05Å |
| 1297 | F | 68.3 | Low | 75.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | 178.4 | -69.5 | -48.9 | 0 | 0 | 0 | 114.4 | S1062 F1064 L1091 Y1093 Y1112 S1293 Q1299 | S1062-F1297 VanDerWaalsContact CB-CE1 3.45Å; S1062-F1297 VanDerWaalsContact CB-CZ 3.47Å; S1062-F1297 WeakPolarHBondContact OG-CZ 3.42Å; F1064-F1297 HydrophobicContact CD1-CZ 4.22Å; F1064-F1297 HydrophobicContact CD2-CE2 4.38Å; F1064-F1297 AromaticContact CD2-CZ 3.95Å; F1064-F1297 HydrophobicContact CD2-CZ 3.95Å; F1064-F1297 AromaticContact CE1-CE1 3.94Å; F1064-F1297 HydrophobicContact CE1-CE1 3.94Å; F1064-F1297 HydrophobicContact CE1-CE2 4.02Å; F1064-F1297 AromaticContact CE1-CZ 3.6Å; F1064-F1297 HydrophobicContact CE1-CZ 3.6Å; F1064-F1297 HydrophobicContact CE2-CD2 4.45Å; F1064-F1297 HydrophobicContact CE2-CE1 4.38Å; F1064-F1297 AromaticContact CE2-CE2 3.34Å; F1064-F1297 HydrophobicContact CE2-CE2 3.34Å; F1064-F1297 AromaticContact CE2-CZ 3.29Å; F1064-F1297 HydrophobicContact CE2-CZ 3.29Å; F1064-F1297 HydrophobicContact CG-CZ 4.37Å; F1064-F1297 AromaticContact CZ-CD2 3.88Å; F1064-F1297 HydrophobicContact CZ-CD2 3.88Å; F1064-F1297 AromaticContact CZ-CE1 3.85Å; F1064-F1297 HydrophobicContact CZ-CE1 3.85Å; F1064-F1297 AromaticContact CZ-CE2 3.1Å; F1064-F1297 HydrophobicContact CZ-CE2 3.1Å; F1064-F1297 AromaticContact CZ-CZ 3.08Å; F1064-F1297 HydrophobicContact CZ-CZ 3.08Å; L1091-F1297 HydrophobicContact CD2-CD1 3.97Å; L1091-F1297 HydrophobicContact CD2-CE1 4.25Å; Y1093-F1297 VanDerWaalsContact CB-CD2 3.42Å; Y1093-F1297 AromaticContact CD1-CD2 3.51Å; Y1093-F1297 HydrophobicContact CD1-CD2 3.51Å; Y1093-F1297 AromaticContact CD1-CE2 3.14Å; Y1093-F1297 HydrophobicContact CD1-CE2 3.14Å; Y1093-F1297 HydrophobicContact CD1-CZ 4.16Å; Y1093-F1297 HydrophobicContact CD2-CE2 4.45Å; Y1093-F1297 HydrophobicContact CE1-CD2 4.48Å; Y1093-F1297 AromaticContact CE1-CE2 3.76Å; Y1093-F1297 HydrophobicContact CE1-CE2 3.76Å; Y1093-F1297 AromaticContact CG-CD2 3.79Å; Y1093-F1297 HydrophobicContact CG-CD2 3.79Å; Y1093-F1297 AromaticContact CG-CE2 3.51Å; Y1093-F1297 HydrophobicContact CG-CE2 3.51Å; Y1093-F1297 HydrophobicContact CG-CZ 4.23Å; Y1112-F1297 HydrophobicContact CE1-CB 4.42Å; S1293-F1297 WeakPolarHBondContact O-CD2 3.29Å; S1293-F1297 PolarHBondContact O-N 3.23Å; F1297-Q1299 PolarHBondContact O-N 3Å; F1297-Q1299 VanDerWaalsContact O-N 3.07Å |
| 1298 | S | 71 | Confident | 75.7 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.4 | 173.5 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | R1171 D1294 W1295 R1300 | R1171-S1298 PolarHBondContact NH2-O 3.42Å; D1294-S1298 VanDerWaalsContact O-CB 3.29Å; D1294-S1298 WeakPolarHBondContact O-CB 3.42Å; D1294-S1298 PolarHBondContact O-N 3.4Å; D1294-S1298 PolarHBondContact O-OG 2.97Å; W1295-S1298 WeakPolarHBondContact CA-OG 3.26Å; W1295-S1298 PolarHBondContact O-OG 3.25Å; S1298-R1300 WeakPolarHBondContact O-CG 3.48Å; S1298-R1300 PolarHBondContact O-N 3.26Å; S1298-R1300 WeakPolarHBondContact OG-CB 3.41Å |
| 1299 | Q | 69.1 | Low | 75.9 | Confident | 72 Ų | 72 | 31.2 Ų | 31.2 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 17.1 | -167.6 | -68.6 | -91 | -54.7 | 0 | 0 | 112.9 | Q1088 E1089 I1296 F1297 | Q1088-Q1299 HydrophobicContact CB-CG 4.4Å; E1089-Q1299 HydrophobicContact CG-CB 4.48Å; E1089-Q1299 HydrophobicContact CG-CG 3.8Å; I1296-Q1299 WeakPolarHBondContact O-CA 3.37Å; I1296-Q1299 PolarHBondContact O-N 3.05Å; F1297-Q1299 PolarHBondContact O-N 3Å; F1297-Q1299 VanDerWaalsContact O-N 3.07Å |
| 1300 | R | 74.5 | Confident | 76.2 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 21% | 0.211 | 19% | 0.185 | C | C | . | . | trans | -101.2 | 12.5 | -171.9 | -66.3 | 178.3 | 74.6 | -145.7 | -9.4 | 113.3 | F1111 W1295 S1298 Q1302 D1303 Y1304 | F1111-R1300 PolarHBondContact O-NH1 2.89Å; W1295-R1300 HydrophobicContact CE3-CB 3.78Å; W1295-R1300 VanDerWaalsContact CE3-O 3.3Å; W1295-R1300 HydrophobicContact CZ3-CB 3.84Å; W1295-R1300 WeakPolarHBondContact CZ3-O 3.21Å; W1295-R1300 PolarHBondContact O-N 3.43Å; W1295-R1300 VanDerWaalsContact O-N 3.12Å; S1298-R1300 WeakPolarHBondContact O-CG 3.48Å; S1298-R1300 PolarHBondContact O-N 3.26Å; S1298-R1300 WeakPolarHBondContact OG-CB 3.41Å; R1300-Q1302 PolarHBondContact O-N 2.84Å; R1300-Q1302 VanDerWaalsContact O-N 3.12Å; R1300-D1303 HydrophobicContact CB-CB 4.02Å; R1300-D1303 IonicContact CZ-OD2 2.78Å; R1300-D1303 VanDerWaalsContact CZ-OD2 3.3Å; R1300-D1303 IonicContact NE-OD2 2.75Å; R1300-D1303 PolarHBondContact NE-OD2 3.5Å; R1300-D1303 IonicContact NH2-OD2 3.56Å; R1300-D1303 PolarHBondContact NH2-OD2 3.36Å; R1300-D1303 CarbonylContact O-C 3.33Å; R1300-D1303 WeakPolarHBondContact O-CA 3.49Å; R1300-D1303 VanDerWaalsContact O-CB 3.29Å; R1300-D1303 WeakPolarHBondContact O-CB 3.47Å; R1300-D1303 PolarHBondContact O-N 2.68Å; R1300-Y1304 PolarHBondContact O-N 3.26Å | ||
| 1301 | G | 74.1 | Confident | 76.5 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -52.3 | -32.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1295 Y1304 V1305 | W1295-G1301 PolarHBondContact O-N 2.67Å; W1295-G1301 VanDerWaalsContact O-N 3.12Å; G1301-Y1304 WeakPolarHBondContact O-CB 3.5Å; G1301-Y1304 PolarHBondContact O-N 2.72Å; G1301-V1305 WeakPolarHBondContact O-CG2 3.37Å; G1301-V1305 PolarHBondContact O-N 2.94Å |
| 1302 | Q | 77.1 | Confident | 76.8 | Confident | 87 Ų | 87 | 35.8 Ų | 35.8 | 41% | 0.407 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -79 | -29.6 | 172.2 | -169.7 | 60 | 54.4 | 0 | 0 | 113.2 | R1300 Y1304 V1305 N1306 | R1300-Q1302 PolarHBondContact O-N 2.84Å; R1300-Q1302 VanDerWaalsContact O-N 3.12Å; Q1302-Y1304 VanDerWaalsContact C-N 3.26Å; Q1302-Y1304 PolarHBondContact O-N 3Å; Q1302-V1305 PolarHBondContact O-N 2.92Å; Q1302-N1306 PolarHBondContact NE2-OD1 3.17Å; Q1302-N1306 VanDerWaalsContact O-CB 3.25Å; Q1302-N1306 WeakPolarHBondContact O-CB 3.35Å; Q1302-N1306 PolarHBondContact O-N 2.93Å; Q1302-N1306 PolarHBondContact O-ND2 3.17Å; Q1302-N1306 VanDerWaalsContact O-ND2 3.13Å; Q1302-N1306 PolarHBondContact O-OD1 2.99Å |
| 1303 | D | 78.6 | Confident | 77.1 | Confident | 75 Ų | 75 | 39.6 Ų | 39.6 | 40% | 0.401 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61 | -40.1 | 166.1 | -83.9 | 1 | 0 | 0 | 0 | 110.2 | W1295 R1300 N1306 H1307 | W1295-D1303 HydrophobicContact CZ3-CB 4.47Å; R1300-D1303 HydrophobicContact CB-CB 4.02Å; R1300-D1303 IonicContact CZ-OD2 2.78Å; R1300-D1303 VanDerWaalsContact CZ-OD2 3.3Å; R1300-D1303 IonicContact NE-OD2 2.75Å; R1300-D1303 PolarHBondContact NE-OD2 3.5Å; R1300-D1303 IonicContact NH2-OD2 3.56Å; R1300-D1303 PolarHBondContact NH2-OD2 3.36Å; R1300-D1303 CarbonylContact O-C 3.33Å; R1300-D1303 WeakPolarHBondContact O-CA 3.49Å; R1300-D1303 VanDerWaalsContact O-CB 3.29Å; R1300-D1303 WeakPolarHBondContact O-CB 3.47Å; R1300-D1303 PolarHBondContact O-N 2.68Å; D1303-N1306 CarbonylContact O-C 3.55Å; D1303-N1306 PolarHBondContact O-N 3.13Å; D1303-H1307 VanDerWaalsContact O-CB 3.25Å; D1303-H1307 WeakPolarHBondContact O-CB 3.36Å; D1303-H1307 PolarHBondContact O-N 3.37Å |
| 1304 | Y | 77.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -51.5 | 174.6 | 175.5 | -98.1 | 0 | 0 | 0 | 111.5 | F784 D1284 L1285 N1288 W1295 R1300 G1301 Q1302 N1306 H1307 H1308 | F784-Y1304 HydrophobicContact CE1-CD1 4.5Å; F784-Y1304 AromaticContact CE2-CD1 3.38Å; F784-Y1304 HydrophobicContact CE2-CD1 3.38Å; F784-Y1304 AromaticContact CE2-CE1 3.85Å; F784-Y1304 HydrophobicContact CE2-CE1 3.85Å; F784-Y1304 HydrophobicContact CE2-CG 4.4Å; F784-Y1304 AromaticContact CZ-CD1 3.3Å; F784-Y1304 HydrophobicContact CZ-CD1 3.3Å; F784-Y1304 AromaticContact CZ-CE1 3.82Å; F784-Y1304 HydrophobicContact CZ-CE1 3.82Å; F784-Y1304 HydrophobicContact CZ-CG 4.01Å; D1284-Y1304 WeakPolarHBondContact OD2-CE2 3.3Å; L1285-Y1304 HydrophobicContact CD1-CE1 4.45Å; L1285-Y1304 WeakPolarHBondContact CD1-OH 3.29Å; N1288-Y1304 HydrophobicContact CB-CD2 4.02Å; N1288-Y1304 HydrophobicContact CB-CE2 3.66Å; N1288-Y1304 WeakPolarHBondContact ND2-CE2 3.45Å; W1295-Y1304 HydrophobicContact CH2-CD2 4.3Å; W1295-Y1304 AromaticContact CZ2-CD2 3.91Å; W1295-Y1304 HydrophobicContact CZ2-CD2 3.91Å; W1295-Y1304 HydrophobicContact CZ2-CG 4.46Å; R1300-Y1304 PolarHBondContact O-N 3.26Å; G1301-Y1304 WeakPolarHBondContact O-CB 3.5Å; G1301-Y1304 PolarHBondContact O-N 2.72Å; Q1302-Y1304 VanDerWaalsContact C-N 3.26Å; Q1302-Y1304 PolarHBondContact O-N 3Å; Y1304-N1306 VanDerWaalsContact C-N 3.28Å; Y1304-N1306 PolarHBondContact O-N 2.92Å; Y1304-H1307 CarbonylContact O-C 3.59Å; Y1304-H1307 WeakPolarHBondContact O-CA 3.48Å; Y1304-H1307 WeakPolarHBondContact O-CB 3.49Å; Y1304-H1307 PolarHBondContact O-N 3.38Å; Y1304-H1308 HydrophobicContact CE1-CB 4.12Å; Y1304-H1308 HydrophobicContact CE2-CB 4.48Å; Y1304-H1308 AromaticContact CZ-ND1 3.72Å; Y1304-H1308 WeakPolarHBondContact O-CB 3.07Å; Y1304-H1308 PolarHBondContact O-N 3.07Å; Y1304-H1308 PolarHBondContact OH-ND1 3.18Å |
| 1305 | V | 79.8 | Confident | 77.9 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | L780 R781 F784 G1301 Q1302 H1307 H1308 E1309 | L780-V1305 HydrophobicContact CB-CG2 4.13Å; R781-V1305 HydrophobicContact CG-CG1 4.37Å; R781-V1305 HydrophobicContact CG-CG2 4.24Å; F784-V1305 HydrophobicContact CD2-CG2 4.17Å; F784-V1305 HydrophobicContact CE2-CG2 4.2Å; G1301-V1305 WeakPolarHBondContact O-CG2 3.37Å; G1301-V1305 PolarHBondContact O-N 2.94Å; Q1302-V1305 PolarHBondContact O-N 2.92Å; V1305-H1307 VanDerWaalsContact C-N 3.26Å; V1305-H1307 PolarHBondContact O-N 3Å; V1305-H1308 PolarHBondContact O-N 3.01Å; V1305-E1309 HydrophobicContact CG1-CG 4.43Å; V1305-E1309 WeakPolarHBondContact CG1-OE1 3.5Å; V1305-E1309 WeakPolarHBondContact O-CB 3.29Å; V1305-E1309 VanDerWaalsContact O-CG 3.32Å; V1305-E1309 WeakPolarHBondContact O-CG 3.38Å; V1305-E1309 PolarHBondContact O-N 3.22Å |
| 1306 | N | 81.9 | Confident | 78.1 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -24.5 | 174.6 | -64.9 | -17.5 | 0 | 0 | 0 | 113.7 | Q1302 D1303 Y1304 K1310 | Q1302-N1306 PolarHBondContact NE2-OD1 3.17Å; Q1302-N1306 VanDerWaalsContact O-CB 3.25Å; Q1302-N1306 WeakPolarHBondContact O-CB 3.35Å; Q1302-N1306 PolarHBondContact O-N 2.93Å; Q1302-N1306 PolarHBondContact O-ND2 3.17Å; Q1302-N1306 VanDerWaalsContact O-ND2 3.13Å; Q1302-N1306 PolarHBondContact O-OD1 2.99Å; D1303-N1306 CarbonylContact O-C 3.55Å; D1303-N1306 PolarHBondContact O-N 3.13Å; Y1304-N1306 VanDerWaalsContact C-N 3.28Å; Y1304-N1306 PolarHBondContact O-N 2.92Å; N1306-K1310 WeakPolarHBondContact O-CD 3.46Å; N1306-K1310 VanDerWaalsContact O-CG 3.26Å; N1306-K1310 WeakPolarHBondContact O-CG 3.47Å |
| 1307 | H | 80.3 | Confident | 78.6 | Confident | 83 Ų | 83 | 48 Ų | 48 | 38% | 0.384 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -84.3 | -44.9 | 176.9 | -177.3 | 71.8 | 0 | 0 | 0 | 110.7 | D1303 Y1304 V1305 K1310 S1311 | D1303-H1307 VanDerWaalsContact O-CB 3.25Å; D1303-H1307 WeakPolarHBondContact O-CB 3.36Å; D1303-H1307 PolarHBondContact O-N 3.37Å; Y1304-H1307 CarbonylContact O-C 3.59Å; Y1304-H1307 WeakPolarHBondContact O-CA 3.48Å; Y1304-H1307 WeakPolarHBondContact O-CB 3.49Å; Y1304-H1307 PolarHBondContact O-N 3.38Å; V1305-H1307 VanDerWaalsContact C-N 3.26Å; V1305-H1307 PolarHBondContact O-N 3Å; H1307-K1310 WeakPolarHBondContact O-CB 3.29Å; H1307-K1310 PolarHBondContact O-N 2.88Å; H1307-S1311 PolarHBondContact O-N 2.84Å; H1307-S1311 PolarHBondContact O-OG 2.91Å |
| 1308 | H | 82.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 173.1 | -167.5 | 101.1 | 0 | 0 | 0 | 110.8 | L780 Y1304 V1305 K1310 S1311 E1312 | L780-H1308 HydrophobicContact CD1-CB 4.38Å; Y1304-H1308 HydrophobicContact CE1-CB 4.12Å; Y1304-H1308 HydrophobicContact CE2-CB 4.48Å; Y1304-H1308 AromaticContact CZ-ND1 3.72Å; Y1304-H1308 WeakPolarHBondContact O-CB 3.07Å; Y1304-H1308 PolarHBondContact O-N 3.07Å; Y1304-H1308 PolarHBondContact OH-ND1 3.18Å; V1305-H1308 PolarHBondContact O-N 3.01Å; H1308-K1310 PolarHBondContact O-N 3.12Å; H1308-S1311 PolarHBondContact O-N 3.39Å; H1308-E1312 VanDerWaalsContact O-CB 3.23Å; H1308-E1312 WeakPolarHBondContact O-CB 3.32Å; H1308-E1312 PolarHBondContact O-N 3.31Å |
| 1309 | E | 81.3 | Confident | 79.6 | Confident | 42 Ų | 42 | 50 Ų | 50 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.8 | -32.7 | 173.9 | -75.8 | -174.3 | -148.1 | 0 | 0 | 112.5 | K773 R781 V1305 E1313 | K773-E1309 WeakPolarHBondContact CE-OE2 3.41Å; K773-E1309 IonicContact NZ-OE2 3.5Å; K773-E1309 PolarHBondContact NZ-OE2 2.82Å; R781-E1309 IonicContact NH1-OE1 3.6Å; R781-E1309 PolarHBondContact NH1-OE1 2.92Å; V1305-E1309 HydrophobicContact CG1-CG 4.43Å; V1305-E1309 WeakPolarHBondContact CG1-OE1 3.5Å; V1305-E1309 WeakPolarHBondContact O-CB 3.29Å; V1305-E1309 VanDerWaalsContact O-CG 3.32Å; V1305-E1309 WeakPolarHBondContact O-CG 3.38Å; V1305-E1309 PolarHBondContact O-N 3.22Å; E1309-E1313 WeakPolarHBondContact O-CB 3.45Å; E1309-E1313 VanDerWaalsContact O-CG 3.24Å; E1309-E1313 WeakPolarHBondContact O-CG 3.41Å; E1309-E1313 PolarHBondContact O-N 3.4Å |
| 1310 | K | 82.9 | Confident | 80.2 | Confident | 137 Ų | 137 | 48.7 Ų | 48.7 | 60% | 0.596 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -77.7 | -40.2 | 175.7 | -77.1 | 171.8 | -176 | 173.3 | 0 | 113.5 | N1306 H1307 H1308 E1312 E1313 A1314 | N1306-K1310 WeakPolarHBondContact O-CD 3.46Å; N1306-K1310 VanDerWaalsContact O-CG 3.26Å; N1306-K1310 WeakPolarHBondContact O-CG 3.47Å; H1307-K1310 WeakPolarHBondContact O-CB 3.29Å; H1307-K1310 PolarHBondContact O-N 2.88Å; H1308-K1310 PolarHBondContact O-N 3.12Å; K1310-E1312 VanDerWaalsContact C-N 3.26Å; K1310-E1313 PolarHBondContact O-N 3.28Å; K1310-A1314 WeakPolarHBondContact O-CB 3.32Å; K1310-A1314 PolarHBondContact O-N 3.41Å |
| 1311 | S | 81.1 | Confident | 80.4 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 174.5 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | H1307 H1308 A1314 L1315 | H1307-S1311 PolarHBondContact O-N 2.84Å; H1307-S1311 PolarHBondContact O-OG 2.91Å; H1308-S1311 PolarHBondContact O-N 3.39Å; S1311-A1314 PolarHBondContact O-N 3.36Å; S1311-L1315 PolarHBondContact O-N 3.45Å |
| 1312 | E | 81.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 172.7 | -159.9 | -132.8 | 83.7 | 0 | 0 | 112 | Y769 R776 H1308 K1310 A1314 L1315 R1316 | Y769-E1312 WeakPolarHBondContact CE2-OE1 3.27Å; Y769-E1312 PolarHBondContact OH-OE1 3.5Å; R776-E1312 WeakPolarHBondContact CD-OE2 3.48Å; R776-E1312 IonicContact CZ-OE2 3.55Å; R776-E1312 IonicContact NE-OE2 2.65Å; R776-E1312 IonicContact NH1-OE2 2.62Å; R776-E1312 PolarHBondContact NH1-OE2 3.4Å; H1308-E1312 VanDerWaalsContact O-CB 3.23Å; H1308-E1312 WeakPolarHBondContact O-CB 3.32Å; H1308-E1312 PolarHBondContact O-N 3.31Å; K1310-E1312 VanDerWaalsContact C-N 3.26Å; E1312-A1314 VanDerWaalsContact C-N 3.29Å; E1312-A1314 PolarHBondContact O-N 2.98Å; E1312-L1315 CarbonylContact O-C 3.55Å; E1312-L1315 WeakPolarHBondContact O-CB 3.43Å; E1312-L1315 PolarHBondContact O-N 2.72Å; E1312-L1315 VanDerWaalsContact O-N 3.16Å; E1312-R1316 VanDerWaalsContact O-CB 3.31Å; E1312-R1316 WeakPolarHBondContact O-CB 3.46Å; E1312-R1316 PolarHBondContact O-N 2.75Å |
| 1313 | E | 82.8 | Confident | 80.5 | Confident | 84 Ų | 84 | 47.9 Ų | 47.9 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -34.7 | 169.8 | -82.6 | 169.9 | -168.1 | 0 | 0 | 112.5 | K773 E1309 K1310 R1316 E1317 | K773-E1313 IonicContact NZ-OE1 2.7Å; K773-E1313 PolarHBondContact NZ-OE1 3.12Å; E1309-E1313 WeakPolarHBondContact O-CB 3.45Å; E1309-E1313 VanDerWaalsContact O-CG 3.24Å; E1309-E1313 WeakPolarHBondContact O-CG 3.41Å; E1309-E1313 PolarHBondContact O-N 3.4Å; K1310-E1313 PolarHBondContact O-N 3.28Å; E1313-R1316 WeakPolarHBondContact O-CB 3.21Å; E1313-R1316 PolarHBondContact O-N 3.26Å; E1313-E1317 PolarHBondContact O-N 2.78Å |
| 1314 | A | 82.4 | Confident | 80.6 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 35% | 0.347 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.5 | -40.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | M1277 K1310 S1311 E1312 E1317 V1318 | M1277-A1314 VanDerWaalsContact CE-C 3.43Å; M1277-A1314 HydrophobicContact CE-CB 3.6Å; K1310-A1314 WeakPolarHBondContact O-CB 3.32Å; K1310-A1314 PolarHBondContact O-N 3.41Å; S1311-A1314 PolarHBondContact O-N 3.36Å; E1312-A1314 VanDerWaalsContact C-N 3.29Å; E1312-A1314 PolarHBondContact O-N 2.98Å; A1314-E1317 WeakPolarHBondContact O-CB 3.28Å; A1314-E1317 PolarHBondContact O-N 3.42Å; A1314-V1318 PolarHBondContact O-N 2.96Å |
| 1315 | L | 81.5 | Confident | 80.7 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 172.8 | -179.6 | 62.2 | 0 | 0 | 0 | 110.9 | Q1274 M1277 L1281 S1311 E1312 E1317 V1318 N1319 | Q1274-L1315 HydrophobicContact CB-CD1 4.25Å; Q1274-L1315 HydrophobicContact CG-CD1 3.78Å; M1277-L1315 HydrophobicContact CB-CD1 3.96Å; M1277-L1315 HydrophobicContact CE-CB 4.31Å; L1281-L1315 HydrophobicContact CD2-CD2 4.23Å; S1311-L1315 PolarHBondContact O-N 3.45Å; E1312-L1315 CarbonylContact O-C 3.55Å; E1312-L1315 WeakPolarHBondContact O-CB 3.43Å; E1312-L1315 PolarHBondContact O-N 2.72Å; E1312-L1315 VanDerWaalsContact O-N 3.16Å; L1315-E1317 VanDerWaalsContact C-N 3.33Å; L1315-E1317 PolarHBondContact O-N 3.04Å; L1315-V1318 CarbonylContact O-C 3.46Å; L1315-V1318 WeakPolarHBondContact O-CA 3.21Å; L1315-V1318 WeakPolarHBondContact O-CB 3.23Å; L1315-V1318 PolarHBondContact O-N 3.47Å; L1315-N1319 PolarHBondContact O-N 3.31Å |
| 1316 | R | 80.4 | Confident | 80.5 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 171.9 | -172.5 | -150.1 | -178.9 | 163.7 | 0.1 | 111.3 | E766 Y769 E1312 E1313 V1318 N1319 C1320 | E766-R1316 IonicContact OE1-CZ 3.71Å; E766-R1316 IonicContact OE1-NH2 2.74Å; E766-R1316 PolarHBondContact OE1-NH2 2.89Å; E766-R1316 IonicContact OE2-NH2 2.78Å; E766-R1316 PolarHBondContact OE2-NH2 3.45Å; Y769-R1316 HydrophobicContact CD2-CG 4.01Å; Y769-R1316 HydrophobicContact CE1-CG 4.22Å; Y769-R1316 HydrophobicContact CE2-CB 3.95Å; Y769-R1316 HydrophobicContact CE2-CG 3.66Å; Y769-R1316 HydrophobicContact CG-CG 4.41Å; Y769-R1316 VanDerWaalsContact CZ-CD 3.44Å; E1312-R1316 VanDerWaalsContact O-CB 3.31Å; E1312-R1316 WeakPolarHBondContact O-CB 3.46Å; E1312-R1316 PolarHBondContact O-N 2.75Å; E1313-R1316 WeakPolarHBondContact O-CB 3.21Å; E1313-R1316 PolarHBondContact O-N 3.26Å; R1316-V1318 PolarHBondContact O-N 3.38Å; R1316-N1319 PolarHBondContact O-N 3.33Å; R1316-C1320 WeakPolarHBondContact O-CB 3.44Å; R1316-C1320 PolarHBondContact O-N 3Å; R1316-C1320 PolarHBondContact O-SG 3.26Å |
| 1317 | E | 83.3 | Confident | 80.6 | Confident | 124 Ų | 124 | 48.3 Ų | 48.3 | 58% | 0.579 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.2 | -31.4 | 173.7 | -107 | -151.2 | -132.5 | 0 | 0 | 112.6 | E1313 A1314 L1315 K1321 | E1313-E1317 PolarHBondContact O-N 2.78Å; A1314-E1317 WeakPolarHBondContact O-CB 3.28Å; A1314-E1317 PolarHBondContact O-N 3.42Å; L1315-E1317 VanDerWaalsContact C-N 3.33Å; L1315-E1317 PolarHBondContact O-N 3.04Å; E1317-K1321 WeakPolarHBondContact O-CD 3.34Å; E1317-K1321 WeakPolarHBondContact O-CE 3.09Å; E1317-K1321 WeakPolarHBondContact O-CG 3.45Å; E1317-K1321 PolarHBondContact O-NZ 3.47Å; E1317-K1321 IonicContact OE2-NZ 3.43Å; E1317-K1321 PolarHBondContact OE2-NZ 2.66Å |
| 1318 | V | 80.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77.1 | -46.6 | 172.3 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | R1270 Q1273 Q1274 M1277 A1314 L1315 R1316 C1320 K1321 L1322 | R1270-V1318 HydrophobicContact CB-CG1 4.03Å; R1270-V1318 WeakPolarHBondContact O-CG1 3.49Å; Q1273-V1318 HydrophobicContact CG-CG2 4.23Å; Q1274-V1318 HydrophobicContact CB-CG1 4.1Å; M1277-V1318 HydrophobicContact SD-CG2 3.99Å; A1314-V1318 PolarHBondContact O-N 2.96Å; L1315-V1318 CarbonylContact O-C 3.46Å; L1315-V1318 WeakPolarHBondContact O-CA 3.21Å; L1315-V1318 WeakPolarHBondContact O-CB 3.23Å; L1315-V1318 PolarHBondContact O-N 3.47Å; R1316-V1318 PolarHBondContact O-N 3.38Å; V1318-C1320 PolarHBondContact O-N 3.36Å; V1318-K1321 CarbonylContact O-C 3.56Å; V1318-K1321 WeakPolarHBondContact O-CA 3.04Å; V1318-K1321 WeakPolarHBondContact O-CB 3.39Å; V1318-K1321 PolarHBondContact O-N 3.38Å; V1318-L1322 HydrophobicContact CG1-CD1 4.2Å; V1318-L1322 HydrophobicContact CG1-CG 4.43Å; V1318-L1322 WeakPolarHBondContact O-CG 3.08Å; V1318-L1322 PolarHBondContact O-N 2.74Å |
| 1319 | N | 78.1 | Confident | 80.6 | Confident | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.214 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -47.1 | 178.6 | -72.4 | -8.3 | 0 | 0 | 0 | 112 | Q1274 L1315 R1316 K1321 L1322 Q1323 | Q1274-N1319 WeakPolarHBondContact CG-OD1 3.41Å; L1315-N1319 PolarHBondContact O-N 3.31Å; R1316-N1319 PolarHBondContact O-N 3.33Å; N1319-K1321 PolarHBondContact O-N 3.26Å; N1319-L1322 CarbonylContact O-C 3.15Å; N1319-L1322 WeakPolarHBondContact O-CA 3.48Å; N1319-L1322 WeakPolarHBondContact O-CB 3.4Å; N1319-L1322 PolarHBondContact O-N 3.33Å; N1319-Q1323 WeakPolarHBondContact O-CB 3.18Å; N1319-Q1323 WeakPolarHBondContact O-CG 3.08Å; N1319-Q1323 PolarHBondContact O-N 2.85Å; N1319-Q1323 PolarHBondContact O-OE1 2.89Å |
| 1320 | C | 81.6 | Confident | 80.5 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 30% | 0.297 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.8 | -27.1 | 175.3 | -66.7 | 0 | 0 | 0 | 0 | 112.7 | R1316 V1318 S1324 | R1316-C1320 WeakPolarHBondContact O-CB 3.44Å; R1316-C1320 PolarHBondContact O-N 3Å; R1316-C1320 PolarHBondContact O-SG 3.26Å; V1318-C1320 PolarHBondContact O-N 3.36Å; C1320-S1324 WeakPolarHBondContact O-CB 3.44Å; C1320-S1324 PolarHBondContact O-N 2.95Å; C1320-S1324 PolarHBondContact O-OG 2.95Å |
| 1321 | K | 79.8 | Confident | 80.6 | Confident | 88 Ų | 88 | 47.8 Ų | 47.8 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.2 | -34 | 170.7 | -70.1 | 163.3 | -159.9 | 148.4 | 0 | 111.8 | E1317 V1318 N1319 F1325 | E1317-K1321 WeakPolarHBondContact O-CD 3.34Å; E1317-K1321 WeakPolarHBondContact O-CE 3.09Å; E1317-K1321 WeakPolarHBondContact O-CG 3.45Å; E1317-K1321 PolarHBondContact O-NZ 3.47Å; E1317-K1321 IonicContact OE2-NZ 3.43Å; E1317-K1321 PolarHBondContact OE2-NZ 2.66Å; V1318-K1321 CarbonylContact O-C 3.56Å; V1318-K1321 WeakPolarHBondContact O-CA 3.04Å; V1318-K1321 WeakPolarHBondContact O-CB 3.39Å; V1318-K1321 PolarHBondContact O-N 3.38Å; N1319-K1321 PolarHBondContact O-N 3.26Å; K1321-F1325 WeakPolarHBondContact O-CB 3.18Å; K1321-F1325 PolarHBondContact O-N 3.3Å |
| 1322 | L | 76.2 | Confident | 80.8 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -57.8 | 173.1 | -69.8 | 172.1 | 0 | 0 | 0 | 111.4 | N1267 R1270 Q1271 Q1274 V1318 N1319 F1325 Q1326 | N1267-L1322 HydrophobicContact CB-CD2 3.51Å; N1267-L1322 VanDerWaalsContact CG-CD2 3.46Å; N1267-L1322 WeakPolarHBondContact ND2-CA 3.19Å; N1267-L1322 WeakPolarHBondContact ND2-CD2 3.28Å; N1267-L1322 PolarHBondContact ND2-O 2.88Å; N1267-L1322 WeakPolarHBondContact O-CD2 3.42Å; R1270-L1322 HydrophobicContact CB-CD2 3.5Å; R1270-L1322 HydrophobicContact CB-CG 4.07Å; Q1271-L1322 HydrophobicContact CG-CD1 4.15Å; Q1271-L1322 HydrophobicContact CG-CD2 3.93Å; Q1274-L1322 HydrophobicContact CB-CD1 4.23Å; Q1274-L1322 HydrophobicContact CG-CD1 4.43Å; V1318-L1322 HydrophobicContact CG1-CD1 4.2Å; V1318-L1322 HydrophobicContact CG1-CG 4.43Å; V1318-L1322 WeakPolarHBondContact O-CG 3.08Å; V1318-L1322 PolarHBondContact O-N 2.74Å; N1319-L1322 CarbonylContact O-C 3.15Å; N1319-L1322 WeakPolarHBondContact O-CA 3.48Å; N1319-L1322 WeakPolarHBondContact O-CB 3.4Å; N1319-L1322 PolarHBondContact O-N 3.33Å; L1322-F1325 WeakPolarHBondContact O-CB 3.4Å; L1322-F1325 PolarHBondContact O-N 2.99Å; L1322-Q1326 PolarHBondContact O-N 3.06Å |
| 1323 | Q | 77.4 | Confident | 80.6 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 178.2 | -68.8 | 164.8 | -31.3 | 0 | 0 | 111.3 | N1319 F1325 Q1326 R1327 | N1319-Q1323 WeakPolarHBondContact O-CB 3.18Å; N1319-Q1323 WeakPolarHBondContact O-CG 3.08Å; N1319-Q1323 PolarHBondContact O-N 2.85Å; N1319-Q1323 PolarHBondContact O-OE1 2.89Å; Q1323-F1325 PolarHBondContact O-N 2.78Å; Q1323-Q1326 CarbonylContact O-C 3.58Å; Q1323-Q1326 WeakPolarHBondContact O-CA 3.36Å; Q1323-Q1326 WeakPolarHBondContact O-CB 3.33Å; Q1323-Q1326 PolarHBondContact O-N 3.2Å; Q1323-R1327 PolarHBondContact O-N 2.89Å; Q1323-R1327 PolarHBondContact O-NH1 3.29Å |
| 1324 | S | 80.1 | Confident | 80.7 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.6 | -23.6 | -179.6 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | C1320 K1328 | C1320-S1324 WeakPolarHBondContact O-CB 3.44Å; C1320-S1324 PolarHBondContact O-N 2.95Å; C1320-S1324 PolarHBondContact O-OG 2.95Å; S1324-K1328 VanDerWaalsContact O-CB 3.28Å; S1324-K1328 WeakPolarHBondContact O-CB 3.09Å; S1324-K1328 VanDerWaalsContact O-CD 3.23Å; S1324-K1328 WeakPolarHBondContact O-CD 3.14Å; S1324-K1328 WeakPolarHBondContact O-CG 3.46Å; S1324-K1328 PolarHBondContact O-N 3.37Å; S1324-K1328 VanDerWaalsContact O-N 3.14Å |
| 1325 | F | 79.9 | Confident | 80.9 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.1 | -42.6 | 165.7 | 178.7 | -87.9 | 0 | 0 | 0 | 111.5 | I1266 N1267 K1321 L1322 Q1323 K1328 R1329 | I1266-F1325 HydrophobicContact CB-CE2 4.4Å; I1266-F1325 HydrophobicContact CB-CZ 4.43Å; I1266-F1325 HydrophobicContact CD1-CE2 4.31Å; I1266-F1325 HydrophobicContact CD1-CZ 4.29Å; I1266-F1325 HydrophobicContact CG2-CD2 3.97Å; I1266-F1325 HydrophobicContact CG2-CE2 3.63Å; I1266-F1325 HydrophobicContact CG2-CZ 4.12Å; N1267-F1325 VanDerWaalsContact ND2-CD1 3.26Å; N1267-F1325 WeakPolarHBondContact ND2-CD1 3.08Å; K1321-F1325 WeakPolarHBondContact O-CB 3.18Å; K1321-F1325 PolarHBondContact O-N 3.3Å; L1322-F1325 WeakPolarHBondContact O-CB 3.4Å; L1322-F1325 PolarHBondContact O-N 2.99Å; Q1323-F1325 PolarHBondContact O-N 2.78Å; F1325-K1328 PolarHBondContact O-N 3.21Å; F1325-R1329 HydrophobicContact CE1-CB 4.46Å; F1325-R1329 WeakPolarHBondContact O-CB 3.48Å; F1325-R1329 PolarHBondContact O-N 3.31Å |
| 1326 | Q | 76 | Confident | 81 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.6 | -73.3 | 169.1 | -35.6 | 0 | 0 | 111.8 | L1322 Q1323 K1328 R1329 N1330 | L1322-Q1326 PolarHBondContact O-N 3.06Å; Q1323-Q1326 CarbonylContact O-C 3.58Å; Q1323-Q1326 WeakPolarHBondContact O-CA 3.36Å; Q1323-Q1326 WeakPolarHBondContact O-CB 3.33Å; Q1323-Q1326 PolarHBondContact O-N 3.2Å; Q1326-K1328 PolarHBondContact O-N 3.41Å; Q1326-R1329 WeakPolarHBondContact O-CB 3.49Å; Q1326-R1329 PolarHBondContact O-N 2.72Å; Q1326-N1330 WeakPolarHBondContact O-CB 3.49Å; Q1326-N1330 PolarHBondContact O-N 3.07Å; Q1326-N1330 PolarHBondContact O-OD1 3.06Å; Q1326-N1330 VanDerWaalsContact O-OD1 3.06Å |
| 1327 | R | 83.8 | Confident | 81.1 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 175.2 | -65.5 | -161.5 | -57.5 | -73.7 | 27.6 | 112.3 | Y758 E761 H762 E765 Q1323 N1330 F1331 | Y758-R1327 HydrophobicContact CD2-CB 3.71Å; Y758-R1327 HydrophobicContact CE2-CB 3.62Å; E761-R1327 VanDerWaalsContact CB-CD 3.47Å; E761-R1327 HydrophobicContact CB-CG 4.35Å; E761-R1327 WeakPolarHBondContact OE2-CG 3.18Å; H762-R1327 PolarHBondContact ND1-NH2 3.39Å; E765-R1327 VanDerWaalsContact CD-CZ 3.47Å; E765-R1327 WeakPolarHBondContact OE1-CD 3.15Å; E765-R1327 IonicContact OE1-CZ 2.82Å; E765-R1327 VanDerWaalsContact OE1-CZ 3.24Å; E765-R1327 IonicContact OE1-NE 3.65Å; E765-R1327 IonicContact OE1-NH1 2.68Å; E765-R1327 PolarHBondContact OE1-NH1 3.23Å; E765-R1327 IonicContact OE1-NH2 3.99Å; E765-R1327 IonicContact OE2-CZ 2.7Å; E765-R1327 IonicContact OE2-NE 3.58Å; E765-R1327 IonicContact OE2-NH1 3.55Å; E765-R1327 PolarHBondContact OE2-NH1 3.45Å; E765-R1327 IonicContact OE2-NH2 3.55Å; E765-R1327 PolarHBondContact OE2-NH2 2.84Å; Q1323-R1327 PolarHBondContact O-N 2.89Å; Q1323-R1327 PolarHBondContact O-NH1 3.29Å; R1327-N1330 PolarHBondContact O-N 3.23Å; R1327-F1331 VanDerWaalsContact O-CB 3.31Å; R1327-F1331 WeakPolarHBondContact O-CB 3.46Å; R1327-F1331 PolarHBondContact O-N 3.23Å |
| 1328 | K | 83.6 | Confident | 81.2 | Confident | 103 Ų | 103 | 47.5 Ų | 47.5 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.1 | -73.6 | 167.2 | -169.7 | 156.6 | 0 | 111.9 | Y758 S1324 F1325 Q1326 F1331 I1332 | Y758-K1328 HydrophobicContact CE2-CG 4Å; S1324-K1328 VanDerWaalsContact O-CB 3.28Å; S1324-K1328 WeakPolarHBondContact O-CB 3.09Å; S1324-K1328 VanDerWaalsContact O-CD 3.23Å; S1324-K1328 WeakPolarHBondContact O-CD 3.14Å; S1324-K1328 WeakPolarHBondContact O-CG 3.46Å; S1324-K1328 PolarHBondContact O-N 3.37Å; S1324-K1328 VanDerWaalsContact O-N 3.14Å; F1325-K1328 PolarHBondContact O-N 3.21Å; Q1326-K1328 PolarHBondContact O-N 3.41Å; K1328-F1331 PolarHBondContact O-N 3.32Å; K1328-I1332 VanDerWaalsContact O-CB 3.3Å; K1328-I1332 WeakPolarHBondContact O-CB 3.46Å; K1328-I1332 WeakPolarHBondContact O-CD1 3.26Å; K1328-I1332 WeakPolarHBondContact O-CG1 3.4Å; K1328-I1332 PolarHBondContact O-N 3.23Å |
| 1329 | R | 78.3 | Confident | 81.5 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -51.9 | 173.9 | 175.9 | -162.3 | 71 | -174 | 0.1 | 110.4 | F1325 Q1326 I1332 L1333 P1381 | F1325-R1329 HydrophobicContact CE1-CB 4.46Å; F1325-R1329 WeakPolarHBondContact O-CB 3.48Å; F1325-R1329 PolarHBondContact O-N 3.31Å; Q1326-R1329 WeakPolarHBondContact O-CB 3.49Å; Q1326-R1329 PolarHBondContact O-N 2.72Å; R1329-I1332 PolarHBondContact O-N 2.88Å; R1329-L1333 HydrophobicContact CG-CD1 3.96Å; R1329-L1333 WeakPolarHBondContact O-CB 3.33Å; R1329-L1333 VanDerWaalsContact O-CG 3.27Å; R1329-L1333 WeakPolarHBondContact O-CG 3.36Å; R1329-L1333 PolarHBondContact O-N 3.26Å; R1329-P1381 PolarHBondContact NH1-O 3.22Å |
| 1330 | N | 78.7 | Confident | 81.8 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | -179.1 | -65.2 | 2.3 | 0 | 0 | 0 | 110.6 | Q1326 R1327 I1332 L1333 Q1334 | Q1326-N1330 WeakPolarHBondContact O-CB 3.49Å; Q1326-N1330 PolarHBondContact O-N 3.07Å; Q1326-N1330 PolarHBondContact O-OD1 3.06Å; Q1326-N1330 VanDerWaalsContact O-OD1 3.06Å; R1327-N1330 PolarHBondContact O-N 3.23Å; N1330-I1332 PolarHBondContact O-N 3.25Å; N1330-L1333 PolarHBondContact O-N 2.62Å; N1330-Q1334 VanDerWaalsContact O-CG 3.29Å; N1330-Q1334 WeakPolarHBondContact O-CG 3.25Å; N1330-Q1334 PolarHBondContact O-N 3.15Å |
| 1331 | F | 86.2 | Confident | 82 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 176.4 | -178.7 | -108.2 | 0 | 0 | 0 | 112.9 | H754 L755 Y758 R1327 K1328 Q1334 L1335 | H754-F1331 HydrophobicContact CB-CD2 4.08Å; H754-F1331 HydrophobicContact CB-CE2 4.27Å; L755-F1331 HydrophobicContact CB-CE2 4.08Å; L755-F1331 HydrophobicContact CD1-CE2 4.46Å; L755-F1331 HydrophobicContact CD1-CZ 4.43Å; Y758-F1331 HydrophobicContact CD2-CB 4.07Å; Y758-F1331 HydrophobicContact CD2-CG 4.47Å; R1327-F1331 VanDerWaalsContact O-CB 3.31Å; R1327-F1331 WeakPolarHBondContact O-CB 3.46Å; R1327-F1331 PolarHBondContact O-N 3.23Å; K1328-F1331 PolarHBondContact O-N 3.32Å; F1331-Q1334 PolarHBondContact O-N 2.99Å; F1331-L1335 HydrophobicContact CD1-CD1 4.04Å; F1331-L1335 HydrophobicContact CE1-CD1 3.48Å; F1331-L1335 VanDerWaalsContact CE1-CD1 3.48Å; F1331-L1335 HydrophobicContact CE1-CG 4.2Å; F1331-L1335 HydrophobicContact CE2-CD1 4.47Å; F1331-L1335 HydrophobicContact CE2-CG 4.41Å; F1331-L1335 HydrophobicContact CZ-CD1 3.73Å; F1331-L1335 HydrophobicContact CZ-CD2 4.37Å; F1331-L1335 HydrophobicContact CZ-CG 4.13Å; F1331-L1335 WeakPolarHBondContact O-CG 3.43Å; F1331-L1335 PolarHBondContact O-N 3.23Å |
| 1332 | I | 84.3 | Confident | 82.4 | Confident | 95 Ų | 95 | 48.6 Ų | 48.6 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 176.5 | -71 | 165.4 | 0 | 0 | 0 | 111.2 | K1328 R1329 N1330 Q1334 L1335 M1336 | K1328-I1332 VanDerWaalsContact O-CB 3.3Å; K1328-I1332 WeakPolarHBondContact O-CB 3.46Å; K1328-I1332 WeakPolarHBondContact O-CD1 3.26Å; K1328-I1332 WeakPolarHBondContact O-CG1 3.4Å; K1328-I1332 PolarHBondContact O-N 3.23Å; R1329-I1332 PolarHBondContact O-N 2.88Å; N1330-I1332 PolarHBondContact O-N 3.25Å; I1332-Q1334 VanDerWaalsContact C-N 3.34Å; I1332-Q1334 PolarHBondContact O-N 3.45Å; I1332-L1335 PolarHBondContact O-N 2.9Å; I1332-M1336 HydrophobicContact CG2-CG 4.5Å; I1332-M1336 HydrophobicContact CG2-SD 4.22Å; I1332-M1336 WeakPolarHBondContact O-CG 3.41Å; I1332-M1336 PolarHBondContact O-N 3.43Å |
| 1333 | L | 78.4 | Confident | 82.8 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59 | -45.5 | 175.1 | -74.7 | 170.2 | 0 | 0 | 0 | 111 | R1329 N1330 M1336 F1337 | R1329-L1333 HydrophobicContact CG-CD1 3.96Å; R1329-L1333 WeakPolarHBondContact O-CB 3.33Å; R1329-L1333 VanDerWaalsContact O-CG 3.27Å; R1329-L1333 WeakPolarHBondContact O-CG 3.36Å; R1329-L1333 PolarHBondContact O-N 3.26Å; N1330-L1333 PolarHBondContact O-N 2.62Å; L1333-M1336 WeakPolarHBondContact O-CB 3.19Å; L1333-M1336 PolarHBondContact O-N 2.94Å; L1333-F1337 HydrophobicContact CB-CE2 4.32Å; L1333-F1337 WeakPolarHBondContact O-CD2 2.92Å; L1333-F1337 WeakPolarHBondContact O-CG 3.29Å; L1333-F1337 PolarHBondContact O-N 2.8Å |
| 1334 | Q | 84.1 | Confident | 83.2 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 176.6 | -66.6 | -67.2 | 0.9 | 0 | 0 | 111.8 | F750 H754 N1330 F1331 I1332 M1336 F1337 G1338 | F750-Q1334 VanDerWaalsContact CE1-O 3.23Å; F750-Q1334 WeakPolarHBondContact CE1-O 3.48Å; H754-Q1334 HydrophobicContact CB-CB 4.31Å; H754-Q1334 VanDerWaalsContact CE1-CD 3.45Å; N1330-Q1334 VanDerWaalsContact O-CG 3.29Å; N1330-Q1334 WeakPolarHBondContact O-CG 3.25Å; N1330-Q1334 PolarHBondContact O-N 3.15Å; F1331-Q1334 PolarHBondContact O-N 2.99Å; I1332-Q1334 VanDerWaalsContact C-N 3.34Å; I1332-Q1334 PolarHBondContact O-N 3.45Å; Q1334-M1336 VanDerWaalsContact C-N 3.28Å; Q1334-M1336 PolarHBondContact O-N 3.49Å; Q1334-F1337 PolarHBondContact O-N 2.87Å; Q1334-F1337 VanDerWaalsContact O-N 3.09Å; Q1334-G1338 PolarHBondContact O-N 2.89Å |
| 1335 | L | 87.4 | Confident | 83.4 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.8 | -38 | 173.4 | -72.6 | -177 | 0 | 0 | 0 | 112.7 | F747 A751 F1331 I1332 G1338 L1339 | F747-L1335 HydrophobicContact CZ-CD2 4.5Å; A751-L1335 HydrophobicContact CB-CD2 3.71Å; F1331-L1335 HydrophobicContact CD1-CD1 4.04Å; F1331-L1335 HydrophobicContact CE1-CD1 3.48Å; F1331-L1335 VanDerWaalsContact CE1-CD1 3.48Å; F1331-L1335 HydrophobicContact CE1-CG 4.2Å; F1331-L1335 HydrophobicContact CE2-CD1 4.47Å; F1331-L1335 HydrophobicContact CE2-CG 4.41Å; F1331-L1335 HydrophobicContact CZ-CD1 3.73Å; F1331-L1335 HydrophobicContact CZ-CD2 4.37Å; F1331-L1335 HydrophobicContact CZ-CG 4.13Å; F1331-L1335 WeakPolarHBondContact O-CG 3.43Å; F1331-L1335 PolarHBondContact O-N 3.23Å; I1332-L1335 PolarHBondContact O-N 2.9Å; L1335-G1338 PolarHBondContact O-N 3.44Å; L1335-L1339 WeakPolarHBondContact O-CB 3.5Å; L1335-L1339 VanDerWaalsContact O-CG 3.31Å; L1335-L1339 WeakPolarHBondContact O-CG 3.36Å; L1335-L1339 PolarHBondContact O-N 3.04Å |
| 1336 | M | 82.2 | Confident | 83.6 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 51% | 0.507 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 173.2 | -74.9 | 178.8 | 63.2 | 0 | 0 | 111.6 | I1332 L1333 Q1334 L1339 I1340 | I1332-M1336 HydrophobicContact CG2-CG 4.5Å; I1332-M1336 HydrophobicContact CG2-SD 4.22Å; I1332-M1336 WeakPolarHBondContact O-CG 3.41Å; I1332-M1336 PolarHBondContact O-N 3.43Å; L1333-M1336 WeakPolarHBondContact O-CB 3.19Å; L1333-M1336 PolarHBondContact O-N 2.94Å; Q1334-M1336 VanDerWaalsContact C-N 3.28Å; Q1334-M1336 PolarHBondContact O-N 3.49Å; M1336-L1339 PolarHBondContact O-N 3.32Å; M1336-I1340 VanDerWaalsContact O-CG1 3.26Å; M1336-I1340 WeakPolarHBondContact O-CG1 3.16Å; M1336-I1340 PolarHBondContact O-N 3.24Å |
| 1337 | F | 82.9 | Confident | 83.9 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 175 | -65.5 | -52.9 | 0 | 0 | 0 | 112.4 | L1333 Q1334 L1339 I1340 T1341 I1374 | L1333-F1337 HydrophobicContact CB-CE2 4.32Å; L1333-F1337 WeakPolarHBondContact O-CD2 2.92Å; L1333-F1337 WeakPolarHBondContact O-CG 3.29Å; L1333-F1337 PolarHBondContact O-N 2.8Å; Q1334-F1337 PolarHBondContact O-N 2.87Å; Q1334-F1337 VanDerWaalsContact O-N 3.09Å; F1337-L1339 VanDerWaalsContact C-N 3.3Å; F1337-L1339 PolarHBondContact O-N 3.19Å; F1337-I1340 HydrophobicContact CD1-CD1 4.23Å; F1337-I1340 WeakPolarHBondContact O-CB 3.3Å; F1337-I1340 PolarHBondContact O-N 2.72Å; F1337-I1340 VanDerWaalsContact O-N 3.11Å; F1337-T1341 PolarHBondContact O-N 2.93Å; F1337-T1341 PolarHBondContact O-OG1 3.06Å; F1337-T1341 VanDerWaalsContact O-OG1 3.12Å; F1337-I1374 HydrophobicContact CB-CD1 3.66Å; F1337-I1374 HydrophobicContact CB-CG1 3.88Å; F1337-I1374 HydrophobicContact CD1-CG1 3.93Å; F1337-I1374 HydrophobicContact CD2-CB 4.28Å; F1337-I1374 HydrophobicContact CD2-CD1 4.28Å; F1337-I1374 HydrophobicContact CD2-CG1 3.85Å; F1337-I1374 HydrophobicContact CD2-CG2 3.73Å; F1337-I1374 HydrophobicContact CE1-CG1 4.4Å; F1337-I1374 HydrophobicContact CE2-CB 4.39Å; F1337-I1374 HydrophobicContact CE2-CG1 4.34Å; F1337-I1374 HydrophobicContact CE2-CG2 3.84Å; F1337-I1374 HydrophobicContact CG-CD1 4.01Å; F1337-I1374 HydrophobicContact CG-CG1 3.65Å; F1337-I1374 HydrophobicContact CG-CG2 4.42Å |
| 1338 | G | 85.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -39.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q1334 L1335 I1342 | Q1334-G1338 PolarHBondContact O-N 2.89Å; L1335-G1338 PolarHBondContact O-N 3.44Å; G1338-I1342 WeakPolarHBondContact O-CG1 3.39Å; G1338-I1342 PolarHBondContact O-N 3Å |
| 1339 | L | 87.2 | Confident | 83.3 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.5 | -35.6 | 173.4 | -71.8 | 170.7 | 0 | 0 | 0 | 112.8 | F747 L1335 M1336 F1337 I1342 A1343 | F747-L1339 HydrophobicContact CE2-CD2 3.84Å; F747-L1339 HydrophobicContact CE2-CG 3.97Å; F747-L1339 HydrophobicContact CZ-CD2 3.89Å; F747-L1339 HydrophobicContact CZ-CG 4.2Å; L1335-L1339 WeakPolarHBondContact O-CB 3.5Å; L1335-L1339 VanDerWaalsContact O-CG 3.31Å; L1335-L1339 WeakPolarHBondContact O-CG 3.36Å; L1335-L1339 PolarHBondContact O-N 3.04Å; M1336-L1339 PolarHBondContact O-N 3.32Å; F1337-L1339 VanDerWaalsContact C-N 3.3Å; F1337-L1339 PolarHBondContact O-N 3.19Å; L1339-I1342 PolarHBondContact O-N 3.34Å; L1339-A1343 WeakPolarHBondContact O-CB 3.41Å; L1339-A1343 PolarHBondContact O-N 2.88Å |
| 1340 | I | 85 | Confident | 83.4 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 173.9 | -73.5 | 161.7 | 0 | 0 | 0 | 110.6 | M1336 F1337 I1342 A1343 L1344 V1370 | M1336-I1340 VanDerWaalsContact O-CG1 3.26Å; M1336-I1340 WeakPolarHBondContact O-CG1 3.16Å; M1336-I1340 PolarHBondContact O-N 3.24Å; F1337-I1340 HydrophobicContact CD1-CD1 4.23Å; F1337-I1340 WeakPolarHBondContact O-CB 3.3Å; F1337-I1340 PolarHBondContact O-N 2.72Å; F1337-I1340 VanDerWaalsContact O-N 3.11Å; I1340-I1342 VanDerWaalsContact C-N 3.3Å; I1340-I1342 PolarHBondContact O-N 3.07Å; I1340-A1343 PolarHBondContact O-N 2.57Å; I1340-L1344 HydrophobicContact CG2-CD1 3.87Å; I1340-L1344 WeakPolarHBondContact O-CB 3.4Å; I1340-L1344 WeakPolarHBondContact O-CG 3.33Å; I1340-L1344 PolarHBondContact O-N 3.43Å; I1340-V1370 HydrophobicContact CG2-CG1 4.21Å; I1340-V1370 HydrophobicContact CG2-CG2 4.41Å |
| 1341 | T | 85.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | L723 F746 F1337 L1345 V1367 V1370 F1371 | L723-T1341 HydrophobicContact CD1-CG2 4.46Å; L723-T1341 HydrophobicContact CD2-CG2 4.42Å; F746-T1341 HydrophobicContact CE1-CG2 3.98Å; F746-T1341 HydrophobicContact CZ-CG2 3.85Å; F1337-T1341 PolarHBondContact O-N 2.93Å; F1337-T1341 PolarHBondContact O-OG1 3.06Å; F1337-T1341 VanDerWaalsContact O-OG1 3.12Å; T1341-L1345 VanDerWaalsContact O-CB 3.31Å; T1341-L1345 WeakPolarHBondContact O-CB 3.24Å; T1341-L1345 PolarHBondContact O-N 3.32Å; T1341-V1367 HydrophobicContact CG2-CG1 3.77Å; T1341-V1370 WeakPolarHBondContact OG1-CG1 3.31Å; T1341-F1371 HydrophobicContact CG2-CZ 4.44Å |
| 1342 | I | 87.2 | Confident | 82.8 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 175.5 | -64.7 | 165.1 | 0 | 0 | 0 | 111.3 | I743 F746 F747 G1338 L1339 I1340 L1344 L1345 V1346 | I743-I1342 HydrophobicContact CG2-CD1 4.42Å; I743-I1342 HydrophobicContact CG2-CG1 4.24Å; I743-I1342 HydrophobicContact CG2-CG2 4.08Å; F746-I1342 HydrophobicContact CD1-CD1 4.4Å; F746-I1342 HydrophobicContact CD1-CG1 4.11Å; F746-I1342 HydrophobicContact CE1-CD1 4.4Å; F746-I1342 HydrophobicContact CE1-CG1 3.99Å; F747-I1342 HydrophobicContact CB-CD1 3.71Å; F747-I1342 HydrophobicContact CD2-CD1 3.39Å; F747-I1342 HydrophobicContact CE2-CD1 4.22Å; F747-I1342 HydrophobicContact CG-CD1 3.7Å; G1338-I1342 WeakPolarHBondContact O-CG1 3.39Å; G1338-I1342 PolarHBondContact O-N 3Å; L1339-I1342 PolarHBondContact O-N 3.34Å; I1340-I1342 VanDerWaalsContact C-N 3.3Å; I1340-I1342 PolarHBondContact O-N 3.07Å; I1342-L1344 VanDerWaalsContact C-N 3.33Å; I1342-L1344 PolarHBondContact O-N 2.88Å; I1342-L1345 PolarHBondContact O-N 2.85Å; I1342-V1346 HydrophobicContact CG2-CG2 4.17Å; I1342-V1346 WeakPolarHBondContact O-CB 3.38Å; I1342-V1346 VanDerWaalsContact O-CG2 3.28Å; I1342-V1346 WeakPolarHBondContact O-CG2 3.46Å; I1342-V1346 PolarHBondContact O-N 3.41Å |
| 1343 | A | 84.8 | Confident | 81.6 | Confident | 60 Ų | 60 | 59 Ų | 59 | 50% | 0.496 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1339 I1340 W1347 | L1339-A1343 WeakPolarHBondContact O-CB 3.41Å; L1339-A1343 PolarHBondContact O-N 2.88Å; I1340-A1343 PolarHBondContact O-N 2.57Å; A1343-W1347 WeakPolarHBondContact O-CB 3.29Å; A1343-W1347 PolarHBondContact O-N 2.73Å |
| 1344 | L | 85.2 | Confident | 80.7 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 174.6 | -74.4 | 165.8 | 0 | 0 | 0 | 112.4 | I1340 I1342 W1347 T1348 V1370 | I1340-L1344 HydrophobicContact CG2-CD1 3.87Å; I1340-L1344 WeakPolarHBondContact O-CB 3.4Å; I1340-L1344 WeakPolarHBondContact O-CG 3.33Å; I1340-L1344 PolarHBondContact O-N 3.43Å; I1342-L1344 VanDerWaalsContact C-N 3.33Å; I1342-L1344 PolarHBondContact O-N 2.88Å; L1344-W1347 HydrophobicContact CD2-CE3 4.23Å; L1344-W1347 PolarHBondContact O-N 3.09Å; L1344-T1348 WeakPolarHBondContact O-CB 3.45Å; L1344-T1348 WeakPolarHBondContact O-CG2 3.3Å; L1344-T1348 PolarHBondContact O-N 3.02Å; L1344-T1348 PolarHBondContact O-OG1 2.95Å; L1344-V1370 HydrophobicContact CD1-CG2 3.39Å |
| 1345 | L | 84.6 | Confident | 79.2 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 175.2 | -170.8 | 153.2 | 0 | 0 | 0 | 111.7 | L723 T726 I727 L730 L736 I743 T1341 I1342 T1348 S1349 V1367 | L723-L1345 HydrophobicContact CD1-CD1 3.81Å; T726-L1345 HydrophobicContact CG2-CD1 3.66Å; T726-L1345 HydrophobicContact CG2-CD2 3.8Å; T726-L1345 HydrophobicContact CG2-CG 4.3Å; I727-L1345 HydrophobicContact CG1-CD1 4.47Å; L730-L1345 HydrophobicContact CD1-CD2 3.78Å; L730-L1345 HydrophobicContact CD1-CG 4.25Å; L736-L1345 HydrophobicContact CD1-CD2 3.84Å; I743-L1345 HydrophobicContact CD1-CD2 3.86Å; I743-L1345 HydrophobicContact CG1-CD2 4.2Å; T1341-L1345 VanDerWaalsContact O-CB 3.31Å; T1341-L1345 WeakPolarHBondContact O-CB 3.24Å; T1341-L1345 PolarHBondContact O-N 3.32Å; I1342-L1345 PolarHBondContact O-N 2.85Å; L1345-T1348 PolarHBondContact O-OG1 2.89Å; L1345-S1349 WeakPolarHBondContact O-CB 3.42Å; L1345-S1349 PolarHBondContact O-N 3Å; L1345-V1367 HydrophobicContact CB-CG2 3.72Å; L1345-V1367 HydrophobicContact CD1-CG1 4.35Å; L1345-V1367 HydrophobicContact CD1-CG2 4.49Å; L1345-V1367 HydrophobicContact CG-CG2 4.23Å |
| 1346 | V | 84.6 | Confident | 77.7 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 22% | 0.218 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L736 I1342 R1350 | L736-V1346 HydrophobicContact CD2-CB 4.44Å; L736-V1346 HydrophobicContact CD2-CG1 4.18Å; L736-V1346 HydrophobicContact CD2-CG2 4.27Å; I1342-V1346 HydrophobicContact CG2-CG2 4.17Å; I1342-V1346 WeakPolarHBondContact O-CB 3.38Å; I1342-V1346 VanDerWaalsContact O-CG2 3.28Å; I1342-V1346 WeakPolarHBondContact O-CG2 3.46Å; I1342-V1346 PolarHBondContact O-N 3.41Å; V1346-R1350 WeakPolarHBondContact O-CB 3.4Å; V1346-R1350 VanDerWaalsContact O-CG 3.23Å; V1346-R1350 WeakPolarHBondContact O-CG 3.4Å; V1346-R1350 PolarHBondContact O-N 2.87Å; V1346-R1350 VanDerWaalsContact O-N 3.07Å |
| 1347 | W | 82.3 | Confident | 76.5 | Confident | 127 Ų | 127 | 67.5 Ų | 67.5 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.4 | -51.3 | 178.9 | 174.7 | 72.8 | 0 | 0 | 0 | 112 | A1343 L1344 R1350 Q1351 F1366 | A1343-W1347 WeakPolarHBondContact O-CB 3.29Å; A1343-W1347 PolarHBondContact O-N 2.73Å; L1344-W1347 HydrophobicContact CD2-CE3 4.23Å; L1344-W1347 PolarHBondContact O-N 3.09Å; W1347-R1350 PolarHBondContact O-N 3.39Å; W1347-Q1351 WeakPolarHBondContact O-CB 3.34Å; W1347-Q1351 PolarHBondContact O-N 3.4Å; W1347-F1366 HydrophobicContact CZ3-CD2 4.32Å; W1347-F1366 HydrophobicContact CZ3-CE2 4.39Å |
| 1348 | T | 78 | Confident | 75.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.6 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | L1344 L1345 R1350 Q1351 F1352 F1366 | L1344-T1348 WeakPolarHBondContact O-CB 3.45Å; L1344-T1348 WeakPolarHBondContact O-CG2 3.3Å; L1344-T1348 PolarHBondContact O-N 3.02Å; L1344-T1348 PolarHBondContact O-OG1 2.95Å; L1345-T1348 PolarHBondContact O-OG1 2.89Å; T1348-R1350 PolarHBondContact O-N 2.72Å; T1348-Q1351 PolarHBondContact O-N 2.63Å; T1348-Q1351 VanDerWaalsContact O-N 3.12Å; T1348-F1352 HydrophobicContact CG2-CE2 4.37Å; T1348-F1352 WeakPolarHBondContact O-CB 3.44Å; T1348-F1352 VanDerWaalsContact O-CD2 3.25Å; T1348-F1352 WeakPolarHBondContact O-CD2 3.14Å; T1348-F1352 PolarHBondContact O-N 3.42Å; T1348-F1366 HydrophobicContact CG2-CB 3.85Å; T1348-F1366 HydrophobicContact CG2-CD2 3.61Å; T1348-F1366 HydrophobicContact CG2-CG 4.08Å |
| 1349 | S | 77.8 | Confident | 74.3 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56 | -39.8 | 174.2 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | L730 L1345 | L730-S1349 WeakPolarHBondContact CD2-OG 3.44Å; L1345-S1349 WeakPolarHBondContact O-CB 3.42Å; L1345-S1349 PolarHBondContact O-N 3Å |
| 1350 | R | 79.6 | Confident | 73.2 | Confident | 169 Ų | 169 | 65.1 Ų | 65.1 | 64% | 0.638 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.5 | -35.8 | 175.9 | -76.3 | 174.1 | 179 | 179.1 | 1.8 | 113.8 | V1346 W1347 T1348 H1353 | V1346-R1350 WeakPolarHBondContact O-CB 3.4Å; V1346-R1350 VanDerWaalsContact O-CG 3.23Å; V1346-R1350 WeakPolarHBondContact O-CG 3.4Å; V1346-R1350 PolarHBondContact O-N 2.87Å; V1346-R1350 VanDerWaalsContact O-N 3.07Å; W1347-R1350 PolarHBondContact O-N 3.39Å; T1348-R1350 PolarHBondContact O-N 2.72Å; R1350-H1353 PolarHBondContact O-ND1 2.85Å |
| 1351 | Q | 78.9 | Confident | 72.5 | Confident | 127 Ų | 127 | 66.1 Ų | 66.1 | 59% | 0.593 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -75.6 | -26.8 | -178.5 | -167 | 62.9 | 22.8 | 0 | 0 | 112.7 | W1347 T1348 | W1347-Q1351 WeakPolarHBondContact O-CB 3.34Å; W1347-Q1351 PolarHBondContact O-N 3.4Å; T1348-Q1351 PolarHBondContact O-N 2.63Å; T1348-Q1351 VanDerWaalsContact O-N 3.12Å |
| 1352 | F | 72.7 | Confident | 72 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 25.3 | -169.4 | -66.7 | -56.8 | 0 | 0 | 0 | 114.8 | T1348 A1359 W1362 I1363 F1366 | T1348-F1352 HydrophobicContact CG2-CE2 4.37Å; T1348-F1352 WeakPolarHBondContact O-CB 3.44Å; T1348-F1352 VanDerWaalsContact O-CD2 3.25Å; T1348-F1352 WeakPolarHBondContact O-CD2 3.14Å; T1348-F1352 PolarHBondContact O-N 3.42Å; F1352-A1359 HydrophobicContact CB-CB 3.84Å; F1352-A1359 HydrophobicContact CD1-CB 3.98Å; F1352-A1359 HydrophobicContact CG-CB 4.21Å; F1352-W1362 HydrophobicContact CD2-CB 4Å; F1352-W1362 HydrophobicContact CE1-CB 4.49Å; F1352-W1362 HydrophobicContact CE1-CG 4.45Å; F1352-W1362 HydrophobicContact CE2-CB 3.46Å; F1352-W1362 VanDerWaalsContact CE2-CB 3.46Å; F1352-W1362 HydrophobicContact CE2-CG 4.17Å; F1352-W1362 HydrophobicContact CZ-CB 3.74Å; F1352-W1362 AromaticContact CZ-CG 3.92Å; F1352-W1362 HydrophobicContact CZ-CG 3.92Å; F1352-I1363 HydrophobicContact CD2-CG1 4.42Å; F1352-F1366 HydrophobicContact CE2-CE2 4.5Å |
| 1353 | H | 60 | Low | 71.4 | Confident | 135 Ų | 135 | 71.7 Ų | 71.7 | 63% | 0.625 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 138.4 | 177 | -76.6 | 110.6 | 0 | 0 | 0 | 113.9 | R1350 N1355 | R1350-H1353 PolarHBondContact O-ND1 2.85Å; H1353-N1355 PolarHBondContact O-N 2.81Å |
| 1354 | G | 58.5 | Low | 70.9 | Confident | 78 Ų | 78 | 70 Ų | 70 | 80% | 0.804 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 0.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1355 | N | 54.3 | Low | 70.5 | Confident | 130 Ų | 130 | 70.3 Ų | 70.3 | 70% | 0.695 | 38% | 0.383 | S | S | * | . | trans | -117.5 | 110 | 175.8 | -91.8 | -36.1 | 0 | 0 | 0 | 111.8 | H1353 | H1353-N1355 PolarHBondContact O-N 2.81Š| ||
| 1356 | H | 54.9 | Low | 70.4 | Confident | 161 Ų | 161 | 73.4 Ų | 73.4 | 75% | 0.745 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 145.8 | 179 | -60.2 | -73.5 | 0 | 0 | 0 | 112.9 | G1358 | H1356-G1358 PolarHBondContact O-N 3.43Š|
| 1357 | G | 57 | Low | 70.2 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 44% | 0.443 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -58.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1358 | G | 61.2 | Low | 70.2 | Confident | 50 Ų | 50 | 68 Ų | 68 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -45.2 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1356 | H1356-G1358 PolarHBondContact O-N 3.43Š|
| 1359 | A | 60.7 | Low | 70.4 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113 | F1352 N1361 W1362 | F1352-A1359 HydrophobicContact CB-CB 3.84Å; F1352-A1359 HydrophobicContact CD1-CB 3.98Å; F1352-A1359 HydrophobicContact CG-CB 4.21Å; A1359-N1361 VanDerWaalsContact C-N 3.31Å; A1359-N1361 PolarHBondContact O-N 3.28Å; A1359-W1362 PolarHBondContact O-N 3.05Å |
| 1360 | A | 63.6 | Low | 70.6 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 7% | 0.074 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.5 | -23.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W731 W1362 I1363 A1364 | W731-A1360 HydrophobicContact CB-CB 3.92Å; W731-A1360 HydrophobicContact CG-CB 3.77Å; A1360-W1362 PolarHBondContact O-N 2.91Å; A1360-I1363 HydrophobicContact CB-CD1 4.44Å; A1360-I1363 WeakPolarHBondContact O-CB 3.31Å; A1360-I1363 PolarHBondContact O-N 3.03Å; A1360-I1363 VanDerWaalsContact O-N 3.08Å; A1360-A1364 PolarHBondContact O-N 2.93Å |
| 1361 | N | 70.5 | Confident | 70.7 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -30.2 | 177.1 | -67 | -8.4 | 0 | 0 | 0 | 112 | W731 A1359 A1364 A1365 | W731-N1361 PolarHBondContact NE1-OD1 3.04Å; A1359-N1361 VanDerWaalsContact C-N 3.31Å; A1359-N1361 PolarHBondContact O-N 3.28Å; N1361-A1364 PolarHBondContact O-N 3.01Å; N1361-A1365 PolarHBondContact O-N 3.32Å; N1361-A1365 VanDerWaalsContact O-N 3.08Å |
| 1362 | W | 75.6 | Confident | 70.5 | Confident | 141 Ų | 141 | 62.9 Ų | 62.9 | 53% | 0.534 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.6 | -32.1 | 174.5 | -67.1 | 101.9 | 0 | 0 | 0 | 112.9 | F1352 A1359 A1360 A1364 A1365 F1366 | F1352-W1362 HydrophobicContact CD2-CB 4Å; F1352-W1362 HydrophobicContact CE1-CB 4.49Å; F1352-W1362 HydrophobicContact CE1-CG 4.45Å; F1352-W1362 HydrophobicContact CE2-CB 3.46Å; F1352-W1362 VanDerWaalsContact CE2-CB 3.46Å; F1352-W1362 HydrophobicContact CE2-CG 4.17Å; F1352-W1362 HydrophobicContact CZ-CB 3.74Å; F1352-W1362 AromaticContact CZ-CG 3.92Å; F1352-W1362 HydrophobicContact CZ-CG 3.92Å; A1359-W1362 PolarHBondContact O-N 3.05Å; A1360-W1362 PolarHBondContact O-N 2.91Å; W1362-A1364 VanDerWaalsContact C-N 3.35Å; W1362-A1365 PolarHBondContact O-N 3.36Å; W1362-F1366 HydrophobicContact CB-CD2 4.27Å; W1362-F1366 HydrophobicContact CB-CE2 4.22Å; W1362-F1366 HydrophobicContact CD2-CE2 4.4Å; W1362-F1366 HydrophobicContact CE3-CD2 4.41Å; W1362-F1366 AromaticContact CE3-CE2 3.67Å; W1362-F1366 HydrophobicContact CE3-CE2 3.67Å; W1362-F1366 HydrophobicContact CE3-CZ 4.03Å; W1362-F1366 HydrophobicContact CZ3-CE2 4.45Å; W1362-F1366 HydrophobicContact CZ3-CZ 4.37Å; W1362-F1366 WeakPolarHBondContact O-CD2 3.39Å; W1362-F1366 PolarHBondContact O-N 2.83Å |
| 1363 | I | 74.7 | Confident | 70.7 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 174.9 | -56 | 175.5 | 0 | 0 | 0 | 109.1 | L730 F1352 A1360 V1367 | L730-I1363 HydrophobicContact CB-CD1 4.3Å; L730-I1363 HydrophobicContact CD1-CG2 4.28Å; F1352-I1363 HydrophobicContact CD2-CG1 4.42Å; A1360-I1363 HydrophobicContact CB-CD1 4.44Å; A1360-I1363 WeakPolarHBondContact O-CB 3.31Å; A1360-I1363 PolarHBondContact O-N 3.03Å; A1360-I1363 VanDerWaalsContact O-N 3.08Å; I1363-V1367 VanDerWaalsContact O-CB 3.26Å; I1363-V1367 WeakPolarHBondContact O-CB 3.38Å; I1363-V1367 WeakPolarHBondContact O-CG2 3.45Å; I1363-V1367 PolarHBondContact O-N 3.15Å |
| 1364 | A | 74.5 | Confident | 71.6 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I727 A1360 N1361 W1362 V1367 L1368 | I727-A1364 HydrophobicContact CG2-CB 4Å; A1360-A1364 PolarHBondContact O-N 2.93Å; N1361-A1364 PolarHBondContact O-N 3.01Å; W1362-A1364 VanDerWaalsContact C-N 3.35Å; A1364-V1367 PolarHBondContact O-N 2.93Å; A1364-L1368 VanDerWaalsContact O-CB 3.31Å; A1364-L1368 WeakPolarHBondContact O-CB 3.44Å; A1364-L1368 WeakPolarHBondContact O-CG 3.45Å; A1364-L1368 PolarHBondContact O-N 3.27Å |
| 1365 | A | 77.4 | Confident | 72.3 | Confident | 54 Ų | 54 | 59 Ų | 59 | 45% | 0.446 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.5 | -51.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1361 W1362 S1369 | N1361-A1365 PolarHBondContact O-N 3.32Å; N1361-A1365 VanDerWaalsContact O-N 3.08Å; W1362-A1365 PolarHBondContact O-N 3.36Å; A1365-S1369 WeakPolarHBondContact O-CB 3.39Å; A1365-S1369 PolarHBondContact O-N 3.33Å; A1365-S1369 VanDerWaalsContact O-N 3.11Å |
| 1366 | F | 81.6 | Confident | 73.1 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 31% | 0.307 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 180 | -72.7 | -64 | 0 | 0 | 0 | 112.2 | W1347 T1348 F1352 W1362 S1369 | W1347-F1366 HydrophobicContact CZ3-CD2 4.32Å; W1347-F1366 HydrophobicContact CZ3-CE2 4.39Å; T1348-F1366 HydrophobicContact CG2-CB 3.85Å; T1348-F1366 HydrophobicContact CG2-CD2 3.61Å; T1348-F1366 HydrophobicContact CG2-CG 4.08Å; F1352-F1366 HydrophobicContact CE2-CE2 4.5Å; W1362-F1366 HydrophobicContact CB-CD2 4.27Å; W1362-F1366 HydrophobicContact CB-CE2 4.22Å; W1362-F1366 HydrophobicContact CD2-CE2 4.4Å; W1362-F1366 HydrophobicContact CE3-CD2 4.41Å; W1362-F1366 AromaticContact CE3-CE2 3.67Å; W1362-F1366 HydrophobicContact CE3-CE2 3.67Å; W1362-F1366 HydrophobicContact CE3-CZ 4.03Å; W1362-F1366 HydrophobicContact CZ3-CE2 4.45Å; W1362-F1366 HydrophobicContact CZ3-CZ 4.37Å; W1362-F1366 WeakPolarHBondContact O-CD2 3.39Å; W1362-F1366 PolarHBondContact O-N 2.83Å; F1366-S1369 PolarHBondContact O-N 2.94Å; F1366-S1369 PolarHBondContact O-OG 3.19Å |
| 1367 | V | 81.4 | Confident | 74 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.9 | -38.2 | -178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | L723 I727 T1341 L1345 I1363 A1364 | L723-V1367 HydrophobicContact CD1-CG1 3.85Å; L723-V1367 HydrophobicContact CD2-CG1 4.44Å; I727-V1367 HydrophobicContact CD1-CG1 4.04Å; T1341-V1367 HydrophobicContact CG2-CG1 3.77Å; L1345-V1367 HydrophobicContact CB-CG2 3.72Å; L1345-V1367 HydrophobicContact CD1-CG1 4.35Å; L1345-V1367 HydrophobicContact CD1-CG2 4.49Å; L1345-V1367 HydrophobicContact CG-CG2 4.23Å; I1363-V1367 VanDerWaalsContact O-CB 3.26Å; I1363-V1367 WeakPolarHBondContact O-CB 3.38Å; I1363-V1367 WeakPolarHBondContact O-CG2 3.45Å; I1363-V1367 PolarHBondContact O-N 3.15Å; A1364-V1367 PolarHBondContact O-N 2.93Å |
| 1368 | L | 81.8 | Confident | 74.7 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -73.5 | -29.3 | 176.6 | -66.7 | 171.7 | 0 | 0 | 0 | 112.8 | L960 I964 A1364 V1370 F1371 P1372 | L960-L1368 HydrophobicContact CD1-CD1 3.99Å; L960-L1368 HydrophobicContact CD1-CD2 4.35Å; I964-L1368 HydrophobicContact CD1-CD2 3.94Å; I964-L1368 HydrophobicContact CG1-CD2 3.96Å; A1364-L1368 VanDerWaalsContact O-CB 3.31Å; A1364-L1368 WeakPolarHBondContact O-CB 3.44Å; A1364-L1368 WeakPolarHBondContact O-CG 3.45Å; A1364-L1368 PolarHBondContact O-N 3.27Å; L1368-V1370 PolarHBondContact O-N 3.4Å; L1368-V1370 VanDerWaalsContact O-N 3.1Å; L1368-F1371 PolarHBondContact O-N 3.18Å; L1368-P1372 WeakPolarHBondContact O-CD 3.46Å |
| 1369 | S | 82.4 | Confident | 75.3 | Confident | 56 Ų | 56 | 55 Ų | 55 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.1 | 179.1 | 71.8 | 0 | 0 | 0 | 0 | 115 | A1365 F1366 | A1365-S1369 WeakPolarHBondContact O-CB 3.39Å; A1365-S1369 PolarHBondContact O-N 3.33Å; A1365-S1369 VanDerWaalsContact O-N 3.11Å; F1366-S1369 PolarHBondContact O-N 2.94Å; F1366-S1369 PolarHBondContact O-OG 3.19Å |
| 1370 | V | 81.9 | Confident | 75.8 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | I1340 T1341 L1344 L1368 L1373 I1374 | I1340-V1370 HydrophobicContact CG2-CG1 4.21Å; I1340-V1370 HydrophobicContact CG2-CG2 4.41Å; T1341-V1370 WeakPolarHBondContact OG1-CG1 3.31Å; L1344-V1370 HydrophobicContact CD1-CG2 3.39Å; L1368-V1370 PolarHBondContact O-N 3.4Å; L1368-V1370 VanDerWaalsContact O-N 3.1Å; V1370-L1373 WeakPolarHBondContact O-CA 3.32Å; V1370-L1373 WeakPolarHBondContact O-CB 3.43Å; V1370-L1373 PolarHBondContact O-N 2.85Å; V1370-I1374 HydrophobicContact CG1-CD1 4.43Å; V1370-I1374 HydrophobicContact CG1-CG1 4.38Å; V1370-I1374 PolarHBondContact O-N 2.9Å; V1370-I1374 VanDerWaalsContact O-N 3.17Å |
| 1371 | F | 80.6 | Confident | 76 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 20% | 0.197 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | -171.2 | -61.4 | -84.3 | 0 | 0 | 0 | 113.3 | L723 F746 F750 T1341 L1368 L1373 I1374 D1375 | L723-F1371 HydrophobicContact CD2-CE2 3.78Å; L723-F1371 HydrophobicContact CD2-CZ 3.74Å; F746-F1371 HydrophobicContact CE2-CZ 4.41Å; F746-F1371 HydrophobicContact CZ-CZ 4.5Å; F750-F1371 HydrophobicContact CE2-CE1 4.48Å; T1341-F1371 HydrophobicContact CG2-CZ 4.44Å; L1368-F1371 PolarHBondContact O-N 3.18Å; F1371-L1373 PolarHBondContact O-N 3.29Å; F1371-I1374 HydrophobicContact CD1-CD1 4.2Å; F1371-I1374 WeakPolarHBondContact O-CB 3.35Å; F1371-I1374 PolarHBondContact O-N 2.82Å; F1371-D1375 PolarHBondContact O-N 2.77Å |
| 1372 | P | 76.2 | Confident | 75.8 | Confident | 90 Ų | 90 | 58 Ų | 58 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.1 | -25.3 | 173.5 | -24.4 | 35.7 | 0 | 0 | 0 | 114.7 | L1368 A1376 | L1368-P1372 WeakPolarHBondContact O-CD 3.46Å; P1372-A1376 PolarHBondContact O-N 3.31Å |
| 1373 | L | 76.9 | Confident | 75.3 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -76.4 | -26.2 | 175.3 | -65.2 | 169.9 | 0 | 0 | 0 | 112.2 | V1370 F1371 F1377 | V1370-L1373 WeakPolarHBondContact O-CA 3.32Å; V1370-L1373 WeakPolarHBondContact O-CB 3.43Å; V1370-L1373 PolarHBondContact O-N 2.85Å; F1371-L1373 PolarHBondContact O-N 3.29Å; L1373-F1377 HydrophobicContact CD2-CE2 4.24Å; L1373-F1377 WeakPolarHBondContact O-CD2 3.33Å; L1373-F1377 PolarHBondContact O-N 2.88Å |
| 1374 | I | 79.2 | Confident | 74.8 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.051 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -55.5 | 173.6 | -58.4 | 175.4 | 0 | 0 | 0 | 109.2 | F1337 V1370 F1371 A1376 F1377 A1378 | F1337-I1374 HydrophobicContact CB-CD1 3.66Å; F1337-I1374 HydrophobicContact CB-CG1 3.88Å; F1337-I1374 HydrophobicContact CD1-CG1 3.93Å; F1337-I1374 HydrophobicContact CD2-CB 4.28Å; F1337-I1374 HydrophobicContact CD2-CD1 4.28Å; F1337-I1374 HydrophobicContact CD2-CG1 3.85Å; F1337-I1374 HydrophobicContact CD2-CG2 3.73Å; F1337-I1374 HydrophobicContact CE1-CG1 4.4Å; F1337-I1374 HydrophobicContact CE2-CB 4.39Å; F1337-I1374 HydrophobicContact CE2-CG1 4.34Å; F1337-I1374 HydrophobicContact CE2-CG2 3.84Å; F1337-I1374 HydrophobicContact CG-CD1 4.01Å; F1337-I1374 HydrophobicContact CG-CG1 3.65Å; F1337-I1374 HydrophobicContact CG-CG2 4.42Å; V1370-I1374 HydrophobicContact CG1-CD1 4.43Å; V1370-I1374 HydrophobicContact CG1-CG1 4.38Å; V1370-I1374 PolarHBondContact O-N 2.9Å; V1370-I1374 VanDerWaalsContact O-N 3.17Å; F1371-I1374 HydrophobicContact CD1-CD1 4.2Å; F1371-I1374 WeakPolarHBondContact O-CB 3.35Å; F1371-I1374 PolarHBondContact O-N 2.82Å; I1374-A1376 PolarHBondContact O-N 3Å; I1374-F1377 PolarHBondContact O-N 3.33Å; I1374-A1378 WeakPolarHBondContact O-CB 3.4Å; I1374-A1378 PolarHBondContact O-N 3.29Å |
| 1375 | D | 71.6 | Confident | 74.3 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.8 | -39.3 | -179.5 | -79.4 | 33.6 | 0 | 0 | 0 | 111.9 | R974 F1371 P1379 | R974-D1375 IonicContact CZ-OD2 2.68Å; R974-D1375 IonicContact NH1-OD2 2.58Å; R974-D1375 PolarHBondContact NH1-OD2 3.35Å; R974-D1375 IonicContact NH2-OD2 2.7Å; R974-D1375 PolarHBondContact NH2-OD2 3.15Å; F1371-D1375 PolarHBondContact O-N 2.77Å; D1375-P1379 WeakPolarHBondContact O-CD 3.1Å |
| 1376 | A | 71.4 | Confident | 73.7 | Confident | 60 Ų | 60 | 57 Ų | 57 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.7 | -36.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1372 I1374 | P1372-A1376 PolarHBondContact O-N 3.31Å; I1374-A1376 PolarHBondContact O-N 3Å |
| 1377 | F | 73.4 | Confident | 72.9 | Confident | 126 Ų | 126 | 56.8 Ų | 56.8 | 55% | 0.553 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -101.3 | -22.3 | -172.5 | -78.4 | -90.2 | 0 | 0 | 0 | 114.6 | L1373 I1374 L1380 | L1373-F1377 HydrophobicContact CD2-CE2 4.24Å; L1373-F1377 WeakPolarHBondContact O-CD2 3.33Å; L1373-F1377 PolarHBondContact O-N 2.88Å; I1374-F1377 PolarHBondContact O-N 3.33Å; F1377-L1380 HydrophobicContact CD1-CD1 3.72Å; F1377-L1380 HydrophobicContact CE1-CD1 4.29Å; F1377-L1380 HydrophobicContact CG-CD1 4.42Å; F1377-L1380 PolarHBondContact O-N 3.36Å |
| 1378 | A | 72.5 | Confident | 72 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1374 P1381 | I1374-A1378 WeakPolarHBondContact O-CB 3.4Å; I1374-A1378 PolarHBondContact O-N 3.29Å; A1378-P1381 WeakPolarHBondContact O-CD 3.45Å |
| 1379 | P | 73 | Confident | 71.2 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 51% | 0.506 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -23.8 | -179.9 | -20.6 | 34.5 | 0 | 0 | 0 | 115.1 | D1375 P1381 A1382 A1383 | D1375-P1379 WeakPolarHBondContact O-CD 3.1Å; P1379-P1381 VanDerWaalsContact C-CD 3.46Å; P1379-A1382 WeakPolarHBondContact O-CB 3.16Å; P1379-A1382 PolarHBondContact O-N 3.03Å; P1379-A1383 PolarHBondContact O-N 3Å |
| 1380 | L | 70.5 | Confident | 70.4 | Confident | 98 Ų | 98 | 61.6 Ų | 61.6 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55 | -39.1 | -170.8 | -65 | 171.4 | 0 | 0 | 0 | 114.7 | F1377 A1382 A1383 A1384 | F1377-L1380 HydrophobicContact CD1-CD1 3.72Å; F1377-L1380 HydrophobicContact CE1-CD1 4.29Å; F1377-L1380 HydrophobicContact CG-CD1 4.42Å; F1377-L1380 PolarHBondContact O-N 3.36Å; L1380-A1382 PolarHBondContact O-N 3.29Å; L1380-A1383 PolarHBondContact O-N 3.03Å; L1380-A1384 WeakPolarHBondContact O-CB 3.48Å; L1380-A1384 PolarHBondContact O-N 3.06Å |
| 1381 | P | 68 | Low | 69.7 | Low | 45 Ų | 45 | 63.6 Ų | 63.6 | 29% | 0.292 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.2 | -12.2 | 176.8 | -19.9 | 34.6 | 0 | 0 | 0 | 115 | R1329 A1378 P1379 Q1385 | R1329-P1381 PolarHBondContact NH1-O 3.22Å; A1378-P1381 WeakPolarHBondContact O-CD 3.45Å; P1379-P1381 VanDerWaalsContact C-CD 3.46Å; P1381-Q1385 WeakPolarHBondContact O-CG 3.27Å |
| 1382 | A | 67.7 | Low | 69 | Low | 42 Ų | 42 | 62 Ų | 62 | 35% | 0.347 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -90.8 | -43.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1379 L1380 A1384 Q1385 E1386 | P1379-A1382 WeakPolarHBondContact O-CB 3.16Å; P1379-A1382 PolarHBondContact O-N 3.03Å; L1380-A1382 PolarHBondContact O-N 3.29Å; A1382-A1384 PolarHBondContact O-N 2.94Å; A1382-Q1385 WeakPolarHBondContact O-CA 3.45Å; A1382-Q1385 WeakPolarHBondContact O-CB 3.47Å; A1382-Q1385 PolarHBondContact O-N 2.89Å; A1382-E1386 PolarHBondContact O-N 3.42Å |
| 1383 | A | 65.6 | Low | 68.7 | Low | 63 Ų | 63 | 61.3 Ų | 61.3 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58 | -33.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1379 L1380 Q1385 E1386 T1387 | P1379-A1383 PolarHBondContact O-N 3Å; L1380-A1383 PolarHBondContact O-N 3.03Å; A1383-Q1385 VanDerWaalsContact C-N 3.35Å; A1383-E1386 PolarHBondContact O-N 3.44Å; A1383-T1387 PolarHBondContact O-OG1 3.43Å |
| 1384 | A | 64 | Low | 68.3 | Low | 36 Ų | 36 | 61 Ų | 61 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -23.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1380 A1382 T1387 N1388 | L1380-A1384 WeakPolarHBondContact O-CB 3.48Å; L1380-A1384 PolarHBondContact O-N 3.06Å; A1382-A1384 PolarHBondContact O-N 2.94Å; A1384-T1387 PolarHBondContact O-OG1 3.35Å; A1384-N1388 PolarHBondContact O-ND2 3.2Å |
| 1385 | Q | 64 | Low | 68 | Low | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -39.8 | 172.7 | -72.8 | 173.4 | -40.6 | 0 | 0 | 110.1 | P1381 A1382 A1383 T1387 N1388 | P1381-Q1385 WeakPolarHBondContact O-CG 3.27Å; A1382-Q1385 WeakPolarHBondContact O-CA 3.45Å; A1382-Q1385 WeakPolarHBondContact O-CB 3.47Å; A1382-Q1385 PolarHBondContact O-N 2.89Å; A1383-Q1385 VanDerWaalsContact C-N 3.35Å; Q1385-T1387 PolarHBondContact O-N 2.91Å; Q1385-T1387 VanDerWaalsContact O-N 3.12Å; Q1385-N1388 PolarHBondContact O-ND2 3.41Å |
| 1386 | E | 64.6 | Low | 67.9 | Low | 98 Ų | 98 | 65.7 Ų | 65.7 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -10.2 | 177.6 | -66 | -46.1 | 123.6 | 0 | 0 | 115.5 | A1382 A1383 N1388 S1389 Y1390 | A1382-E1386 PolarHBondContact O-N 3.42Å; A1383-E1386 PolarHBondContact O-N 3.44Å; E1386-N1388 PolarHBondContact O-N 3.08Å; E1386-S1389 PolarHBondContact O-OG 3.47Å; E1386-S1389 PolarHBondContact OE2-OG 2.95Å; E1386-Y1390 HydrophobicContact CB-CE2 4.31Å; E1386-Y1390 WeakPolarHBondContact O-CD2 3.4Å; E1386-Y1390 VanDerWaalsContact O-CE2 3.28Å; E1386-Y1390 WeakPolarHBondContact O-CE2 3.44Å |
| 1387 | T | 63.8 | Low | 67.9 | Low | 67 Ų | 67 | 68.5 Ų | 68.5 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -0.4 | 178.9 | -48.7 | 0 | 0 | 0 | 0 | 113.5 | L1259 A1383 A1384 Q1385 K1391 | L1259-T1387 HydrophobicContact CD1-CG2 4.23Å; A1383-T1387 PolarHBondContact O-OG1 3.43Å; A1384-T1387 PolarHBondContact O-OG1 3.35Å; Q1385-T1387 PolarHBondContact O-N 2.91Å; Q1385-T1387 VanDerWaalsContact O-N 3.12Å; T1387-K1391 PolarHBondContact O-N 2.76Å |
| 1388 | N | 64 | Low | 68 | Low | 14 Ų | 14 | 68.1 Ų | 68.1 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -31.1 | -158.3 | -63.1 | -77.9 | 0 | 0 | 0 | 115.3 | L1259 A1384 Q1385 E1386 Y1390 K1391 | L1259-N1388 WeakPolarHBondContact CA-OD1 3.03Å; L1259-N1388 WeakPolarHBondContact CB-OD1 3.44Å; L1259-N1388 PolarHBondContact N-OD1 3.33Å; L1259-N1388 PolarHBondContact O-ND2 2.92Å; L1259-N1388 PolarHBondContact O-OD1 3.39Å; L1259-N1388 VanDerWaalsContact O-OD1 3.08Å; A1384-N1388 PolarHBondContact O-ND2 3.2Å; Q1385-N1388 PolarHBondContact O-ND2 3.41Å; E1386-N1388 PolarHBondContact O-N 3.08Å; N1388-Y1390 PolarHBondContact O-N 3.36Å; N1388-K1391 PolarHBondContact O-N 2.87Å |
| 1389 | S | 64.5 | Low | 68.2 | Low | 56 Ų | 56 | 71.2 Ų | 71.2 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -51.6 | -43.1 | 153.7 | 40.4 | 0 | 0 | 0 | 0 | 109.4 | E1386 | E1386-S1389 PolarHBondContact O-OG 3.47Å; E1386-S1389 PolarHBondContact OE2-OG 2.95Å |
| 1390 | Y | 65.5 | Low | 68.1 | Low | 136 Ų | 136 | 72.7 Ų | 72.7 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -80.1 | -18.5 | 179.1 | -52 | -48.9 | 0 | 0 | 0 | 115.9 | E1386 N1388 D1392 S1393 I1394 | E1386-Y1390 HydrophobicContact CB-CE2 4.31Å; E1386-Y1390 WeakPolarHBondContact O-CD2 3.4Å; E1386-Y1390 VanDerWaalsContact O-CE2 3.28Å; E1386-Y1390 WeakPolarHBondContact O-CE2 3.44Å; N1388-Y1390 PolarHBondContact O-N 3.36Å; Y1390-D1392 PolarHBondContact O-N 2.85Å; Y1390-S1393 PolarHBondContact O-N 3.39Å; Y1390-I1394 VanDerWaalsContact O-CG1 3.3Å; Y1390-I1394 WeakPolarHBondContact O-CG1 3.31Å; Y1390-I1394 PolarHBondContact O-N 2.96Å |
| 1391 | K | 66.7 | Low | 67.8 | Low | 47 Ų | 47 | 73.1 Ų | 73.1 | 20% | 0.204 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.3 | -49.7 | -174.3 | 169.6 | -179.2 | 150.5 | -85.9 | 0 | 111.9 | V1256 F1257 L1258 T1387 N1388 S1393 I1394 K1395 | V1256-K1391 PolarHBondContact O-NZ 2.73Å; F1257-K1391 VanDerWaalsContact C-NZ 3.34Å; F1257-K1391 WeakPolarHBondContact O-CE 3.46Å; F1257-K1391 PolarHBondContact O-NZ 3.06Å; L1258-K1391 HydrophobicContact CB-CD 3.35Å; T1387-K1391 PolarHBondContact O-N 2.76Å; N1388-K1391 PolarHBondContact O-N 2.87Å; K1391-S1393 VanDerWaalsContact C-N 3.31Å; K1391-I1394 PolarHBondContact O-N 3.47Å; K1391-K1395 PolarHBondContact O-N 3.11Å |
| 1392 | D | 65.1 | Low | 67.2 | Low | 13 Ų | 13 | 77.3 Ų | 77.3 | 7% | 0.07 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70.1 | -34.8 | -174.2 | -62.7 | -22.4 | 0 | 0 | 0 | 110.6 | V1255 V1256 K1275 Y1390 K1395 N1396 | V1255-D1392 HydrophobicContact CG1-CB 4.32Å; V1256-D1392 PolarHBondContact N-OD2 2.77Å; K1275-D1392 IonicContact NZ-OD2 3.7Å; K1275-D1392 PolarHBondContact NZ-OD2 3.42Å; Y1390-D1392 PolarHBondContact O-N 2.85Å; D1392-K1395 PolarHBondContact O-N 3.08Å; D1392-N1396 VanDerWaalsContact O-CB 3.31Å; D1392-N1396 WeakPolarHBondContact O-CB 3.33Å; D1392-N1396 PolarHBondContact O-N 3.18Å; D1392-N1396 PolarHBondContact O-ND2 2.94Å; D1392-N1396 PolarHBondContact O-OD1 3.05Å |
| 1393 | S | 70.2 | Confident | 66.6 | Low | 75 Ų | 75 | 82.5 Ų | 82.5 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 171.4 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | Y1390 K1391 L1397 | Y1390-S1393 PolarHBondContact O-N 3.39Å; K1391-S1393 VanDerWaalsContact C-N 3.31Å; S1393-L1397 VanDerWaalsContact O-CB 3.27Å; S1393-L1397 WeakPolarHBondContact O-CB 3.33Å; S1393-L1397 PolarHBondContact O-N 3.1Å |
| 1394 | I | 69.3 | Low | 65.9 | Low | 89 Ų | 89 | 87.4 Ų | 87.4 | 46% | 0.456 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 175.7 | -68.3 | 164.3 | 0 | 0 | 0 | 110.9 | Y1390 K1391 L1397 N1398 | Y1390-I1394 VanDerWaalsContact O-CG1 3.3Å; Y1390-I1394 WeakPolarHBondContact O-CG1 3.31Å; Y1390-I1394 PolarHBondContact O-N 2.96Å; K1391-I1394 PolarHBondContact O-N 3.47Å; I1394-L1397 PolarHBondContact O-N 3.01Å; I1394-N1398 WeakPolarHBondContact O-CB 3.1Å; I1394-N1398 PolarHBondContact O-N 2.83Å; I1394-N1398 PolarHBondContact O-ND2 2.91Å |
| 1395 | K | 73.7 | Confident | 65 | Low | 103 Ų | 103 | 94 Ų | 94 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 175.3 | -177.5 | 178 | -179.5 | -64.4 | 0 | 110.8 | K1391 D1392 L1397 N1398 D1399 | K1391-K1395 PolarHBondContact O-N 3.11Å; D1392-K1395 PolarHBondContact O-N 3.08Å; K1395-L1397 VanDerWaalsContact C-N 3.25Å; K1395-L1397 PolarHBondContact O-N 3.24Å; K1395-N1398 PolarHBondContact O-N 3.5Å; K1395-N1398 VanDerWaalsContact O-N 3.14Å; K1395-D1399 WeakPolarHBondContact CG-OD2 3.34Å; K1395-D1399 IonicContact NZ-OD2 2.77Å; K1395-D1399 PolarHBondContact NZ-OD2 3.35Å; K1395-D1399 WeakPolarHBondContact O-CB 3.46Å; K1395-D1399 VanDerWaalsContact O-CG 3.24Å; K1395-D1399 PolarHBondContact O-N 3.49Å |
| 1396 | N | 68.6 | Low | 64 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -35 | 179.1 | -67.5 | -8.4 | 0 | 0 | 0 | 112.1 | D1392 L1400 | D1392-N1396 VanDerWaalsContact O-CB 3.31Å; D1392-N1396 WeakPolarHBondContact O-CB 3.33Å; D1392-N1396 PolarHBondContact O-N 3.18Å; D1392-N1396 PolarHBondContact O-ND2 2.94Å; D1392-N1396 PolarHBondContact O-OD1 3.05Å; N1396-L1400 WeakPolarHBondContact O-CG 3.44Å; N1396-L1400 PolarHBondContact O-N 3.09Å |
| 1397 | L | 72.1 | Confident | 63.1 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.1 | -40.5 | 174.9 | -176.5 | 67.7 | 0 | 0 | 0 | 112.5 | S1393 I1394 K1395 L1400 | S1393-L1397 VanDerWaalsContact O-CB 3.27Å; S1393-L1397 WeakPolarHBondContact O-CB 3.33Å; S1393-L1397 PolarHBondContact O-N 3.1Å; I1394-L1397 PolarHBondContact O-N 3.01Å; K1395-L1397 VanDerWaalsContact C-N 3.25Å; K1395-L1397 PolarHBondContact O-N 3.24Å; L1397-L1400 HydrophobicContact CD1-CD1 4.15Å; L1397-L1400 WeakPolarHBondContact O-CB 3.42Å |
| 1398 | N | 73.9 | Confident | 62.6 | Low | 118 Ų | 118 | 105.6 Ų | 105.6 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77.3 | -27.6 | 179.1 | -69.4 | -20.1 | 0 | 0 | 0 | 113.2 | I1394 K1395 L1400 | I1394-N1398 WeakPolarHBondContact O-CB 3.1Å; I1394-N1398 PolarHBondContact O-N 2.83Å; I1394-N1398 PolarHBondContact O-ND2 2.91Å; K1395-N1398 PolarHBondContact O-N 3.5Å; K1395-N1398 VanDerWaalsContact O-N 3.14Å; N1398-L1400 VanDerWaalsContact C-N 3.27Å |
| 1399 | D | 76.9 | Confident | 62.2 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -4.5 | 176.2 | -70.1 | -7.2 | 0 | 0 | 0 | 112.5 | K1395 | K1395-D1399 WeakPolarHBondContact CG-OD2 3.34Å; K1395-D1399 IonicContact NZ-OD2 2.77Å; K1395-D1399 PolarHBondContact NZ-OD2 3.35Å; K1395-D1399 WeakPolarHBondContact O-CB 3.46Å; K1395-D1399 VanDerWaalsContact O-CG 3.24Å; K1395-D1399 PolarHBondContact O-N 3.49Å |
| 1400 | L | 71.8 | Confident | 62.1 | Low | 108 Ų | 108 | 109.4 Ų | 109.4 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -60.9 | 132.7 | 169.5 | -69.1 | -179.2 | 0 | 0 | 0 | 109.6 | N1396 L1397 N1398 T1402 | N1396-L1400 WeakPolarHBondContact O-CG 3.44Å; N1396-L1400 PolarHBondContact O-N 3.09Å; L1397-L1400 HydrophobicContact CD1-CD1 4.15Å; L1397-L1400 WeakPolarHBondContact O-CB 3.42Å; N1398-L1400 VanDerWaalsContact C-N 3.27Å; L1400-T1402 PolarHBondContact O-N 3.4Å; L1400-T1402 VanDerWaalsContact O-N 3.15Å |
| 1401 | P | 63.3 | Low | 62.3 | Low | 107 Ų | 107 | 104.4 Ų | 104.4 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | trans | -61.6 | 123 | 179.1 | 25.5 | -33.6 | 0 | 0 | 0 | 109.8 | I1403 | P1401-I1403 PolarHBondContact O-N 2.89Š| ||
| 1402 | T | 55.9 | Low | 62.4 | Low | 133 Ų | 133 | 111.5 Ų | 111.5 | 82% | 0.816 | 60% | 0.595 | S | S | * | * | trans | -62.7 | 108.3 | 174.6 | -52.9 | 0 | 0 | 0 | 0 | 108.5 | L1400 Q1404 | L1400-T1402 PolarHBondContact O-N 3.4Å; L1400-T1402 VanDerWaalsContact O-N 3.15Å; T1402-Q1404 PolarHBondContact O-N 3.28Å | ||
| 1403 | I | 56.3 | Low | 62.7 | Low | 152 Ų | 152 | 112.4 Ų | 112.4 | 78% | 0.779 | 60% | 0.599 | S | S | * | * | trans | -65.2 | 100.8 | -176.1 | -55 | 176.1 | 0 | 0 | 0 | 108.6 | P1401 K1405 | P1401-I1403 PolarHBondContact O-N 2.89Å; I1403-K1405 PolarHBondContact O-N 3.37Å | ||
| 1404 | Q | 49.1 | Very low | 62.4 | Low | 166 Ų | 166 | 114.2 Ų | 114.2 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | trans | -64.3 | 118.5 | 166.9 | -73.6 | -172.6 | -20.1 | 0 | 0 | 107.9 | T1402 C1406 | T1402-Q1404 PolarHBondContact O-N 3.28Å; Q1404-C1406 VanDerWaalsContact C-N 3.29Å; Q1404-C1406 PolarHBondContact O-N 2.97Å | ||
| 1405 | K | 45.7 | Very low | 62.1 | Low | 173 Ų | 173 | 115.2 Ų | 115.2 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | trans | -69.4 | 89.5 | 167.7 | -70.6 | -171.8 | 175.6 | -172.6 | 0 | 108.5 | I1403 H1407 | I1403-K1405 PolarHBondContact O-N 3.37Å; K1405-H1407 PolarHBondContact O-CD2 2.9Å; K1405-H1407 PolarHBondContact O-N 2.98Å | ||
| 1406 | C | 42.2 | Very low | 61.9 | Low | 101 Ų | 101 | 113.8 Ų | 113.8 | 68% | 0.682 | 63% | 0.626 | S | S | * | * | trans | -66.1 | 96.1 | 167.4 | -73.3 | 0 | 0 | 0 | 0 | 108.9 | Q1404 E1408 | Q1404-C1406 VanDerWaalsContact C-N 3.29Å; Q1404-C1406 PolarHBondContact O-N 2.97Å; C1406-E1408 PolarHBondContact O-N 2.57Å | ||
| 1407 | H | 45.8 | Very low | 62.4 | Low | 166 Ų | 166 | 110.1 Ų | 110.1 | 77% | 0.769 | 61% | 0.606 | S | S | * | * | trans | -79.2 | 43.1 | 171.7 | -78.4 | -92.3 | 0 | 0 | 0 | 111.5 | K1405 | K1405-H1407 PolarHBondContact O-CD2 2.9Å; K1405-H1407 PolarHBondContact O-N 2.98Å | ||
| 1408 | E | 53.9 | Low | 63.1 | Low | 150 Ų | 150 | 106.7 Ų | 106.7 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 128.2 | 165 | -67.2 | -169.8 | 173.9 | 0 | 0 | 107.7 | C1406 T1410 | C1406-E1408 PolarHBondContact O-N 2.57Å; E1408-T1410 PolarHBondContact O-N 3.13Å |
| 1409 | A | 56.5 | Low | 63.9 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 1410 | T | 62.4 | Low | 64.7 | Low | 52 Ų | 52 | 100.6 Ų | 100.6 | 32% | 0.319 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 134.7 | -173 | -11.2 | 0 | 0 | 0 | 0 | 111.8 | E1408 K1412 F1487 D1490 | E1408-T1410 PolarHBondContact O-N 3.13Å; T1410-K1412 PolarHBondContact O-N 2.88Å; T1410-F1487 WeakPolarHBondContact CG2-O 3.25Å; T1410-D1490 WeakPolarHBondContact CB-OD2 3.29Å; T1410-D1490 HydrophobicContact CG2-CB 3.8Å; T1410-D1490 VanDerWaalsContact CG2-OD2 3.24Å; T1410-D1490 WeakPolarHBondContact CG2-OD2 3.49Å; T1410-D1490 PolarHBondContact OG1-OD2 3.09Å |
| 1411 | P | 69.1 | Low | 65.7 | Low | 30 Ų | 30 | 95.6 Ų | 95.6 | 20% | 0.195 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 119.7 | -176.8 | -18.7 | 30.9 | 0 | 0 | 0 | 111.5 | E1482 K1486 F1487 | P1411-E1482 HydrophobicContact CB-CB 4.36Å; P1411-E1482 HydrophobicContact CB-CG 4.08Å; P1411-E1482 HydrophobicContact CG-CB 4.39Å; P1411-E1482 HydrophobicContact CG-CG 4.3Å; P1411-K1486 HydrophobicContact CG-CB 4.38Å; P1411-F1487 HydrophobicContact CB-CD1 4.49Å; P1411-F1487 HydrophobicContact CB-CE1 3.83Å; P1411-F1487 HydrophobicContact CB-CZ 3.88Å; P1411-F1487 HydrophobicContact CG-CE1 4.24Å; P1411-F1487 HydrophobicContact CG-CE2 4.4Å; P1411-F1487 HydrophobicContact CG-CZ 4.15Å; P1411-F1487 VanDerWaalsContact O-CE1 3.25Å; P1411-F1487 WeakPolarHBondContact O-CE1 3.34Å |
| 1412 | K | 69.5 | Low | 67 | Low | 197 Ų | 197 | 93.8 Ų | 93.8 | 86% | 0.857 | 51% | 0.512 | S | S | * | . | trans | -93.5 | 109.5 | 173 | -67.9 | -171 | 177.4 | -174.6 | 0 | 110 | T1410 | T1410-K1412 PolarHBondContact O-N 2.88Š| ||
| 1413 | I | 71.3 | Confident | 68.7 | Low | 31 Ų | 31 | 90.8 Ų | 90.8 | 16% | 0.159 | 49% | 0.491 | C | S | . | . | trans | -95.7 | 130.9 | 172.3 | -57 | 164.7 | 0 | 0 | 0 | 109.5 | L1417 L1479 N1480 F1487 Y1494 | I1413-L1417 HydrophobicContact CB-CD2 4.03Å; I1413-L1417 HydrophobicContact CD1-CD2 4.04Å; I1413-L1417 HydrophobicContact CG2-CD2 3.51Å; I1413-L1479 HydrophobicContact CD1-CB 4.33Å; I1413-L1479 HydrophobicContact CD1-CD2 4.05Å; I1413-L1479 HydrophobicContact CD1-CG 3.96Å; I1413-L1479 WeakPolarHBondContact CD1-O 3.44Å; I1413-N1480 HydrophobicContact CD1-CB 4.18Å; I1413-N1480 HydrophobicContact CG2-CB 4.35Å; I1413-F1487 HydrophobicContact CD1-CE1 3.96Å; I1413-F1487 HydrophobicContact CD1-CZ 3.66Å; I1413-F1487 HydrophobicContact CG1-CE1 4.45Å; I1413-F1487 HydrophobicContact CG1-CZ 4.42Å; I1413-Y1494 HydrophobicContact CB-CE1 4.39Å; I1413-Y1494 PolarHBondContact N-OH 3.01Å; I1413-Y1494 PolarHBondContact O-OH 2.9Å; I1413-Y1494 VanDerWaalsContact O-OH 3.12Å | ||
| 1414 | S | 62.5 | Low | 70.4 | Confident | 113 Ų | 113 | 83.6 Ų | 83.6 | 79% | 0.79 | 45% | 0.454 | S | S | * | . | trans | -101 | -20 | 173.5 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1415 | D | 62.8 | Low | 72.4 | Confident | 111 Ų | 111 | 77.9 Ų | 77.9 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -100.2 | 162 | -165.4 | -60.6 | -7.1 | 0 | 0 | 0 | 111.8 | L1417 N1480 | D1415-L1417 WeakPolarHBondContact O-CD2 3.48Å; D1415-L1417 PolarHBondContact O-N 2.83Å; D1415-N1480 PolarHBondContact O-ND2 3.48Å |
| 1416 | A | 70.3 | Confident | 74.5 | Confident | 73 Ų | 73 | 70.4 Ų | 70.4 | 60% | 0.603 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 126.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1445 N1480 | A1416-P1445 HydrophobicContact CB-CB 4.2Å; A1416-P1445 HydrophobicContact CB-CG 3.74Å; A1416-N1480 PolarHBondContact O-ND2 3.3Å; A1416-N1480 PolarHBondContact O-OD1 3.29Å |
| 1417 | L | 79.5 | Confident | 76.7 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 119.6 | -166.1 | -58.3 | 180 | 0 | 0 | 0 | 113.4 | I1413 D1415 P1445 L1479 Y1494 P1575 I1576 | I1413-L1417 HydrophobicContact CB-CD2 4.03Å; I1413-L1417 HydrophobicContact CD1-CD2 4.04Å; I1413-L1417 HydrophobicContact CG2-CD2 3.51Å; D1415-L1417 WeakPolarHBondContact O-CD2 3.48Å; D1415-L1417 PolarHBondContact O-N 2.83Å; L1417-P1445 WeakPolarHBondContact O-CD 3.42Å; L1417-P1445 WeakPolarHBondContact O-CG 3.16Å; L1417-L1479 HydrophobicContact CB-CD1 4.02Å; L1417-L1479 HydrophobicContact CD1-CD1 4.35Å; L1417-L1479 HydrophobicContact CD1-CD2 4.36Å; L1417-L1479 HydrophobicContact CD2-CD1 4.45Å; L1417-L1479 HydrophobicContact CD2-CD2 4.38Å; L1417-L1479 HydrophobicContact CD2-CG 4.2Å; L1417-Y1494 HydrophobicContact CD1-CD1 3.88Å; L1417-Y1494 HydrophobicContact CD1-CG 4.36Å; L1417-P1575 HydrophobicContact CD1-CB 4.31Å; L1417-P1575 HydrophobicContact CD1-CG 3.45Å; L1417-P1575 VanDerWaalsContact CD1-CG 3.45Å; L1417-P1575 HydrophobicContact CG-CG 4.45Å; L1417-I1576 HydrophobicContact CB-CD1 4.1Å; L1417-I1576 HydrophobicContact CD1-CD1 4.04Å; L1417-I1576 HydrophobicContact CD1-CG1 4.27Å |
| 1418 | T | 87.3 | Confident | 78.4 | Confident | 47 Ų | 47 | 66 Ų | 66 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | trans | -105.9 | 124.4 | 168.6 | -53.2 | 0 | 0 | 0 | 0 | 108.9 | T1442 N1480 | T1418-T1442 HydrophobicContact CG2-CG2 3.99Å; T1418-N1480 PolarHBondContact N-OD1 3.33Å; T1418-N1480 PolarHBondContact O-N 2.91Å | ||
| 1419 | L | 90.6 | Very high | 79.3 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.2 | 174.1 | 178.8 | 73.4 | 0 | 0 | 0 | 108.9 | T1442 L1443 I1466 I1477 T1478 L1479 T1484 I1608 | L1419-T1442 WeakPolarHBondContact O-CA 3.26Å; L1419-L1443 HydrophobicContact CB-CB 4.35Å; L1419-L1443 PolarHBondContact N-O 2.83Å; L1419-L1443 PolarHBondContact O-N 2.64Å; L1419-I1466 HydrophobicContact CD1-CG2 4.34Å; L1419-I1466 HydrophobicContact CD2-CD1 4.38Å; L1419-I1466 HydrophobicContact CD2-CG1 4.28Å; L1419-I1466 HydrophobicContact CD2-CG2 3.73Å; L1419-I1477 HydrophobicContact CD1-CG2 3.77Å; L1419-T1478 WeakPolarHBondContact CA-O 3.32Å; L1419-L1479 HydrophobicContact CB-CD1 4.49Å; L1419-L1479 HydrophobicContact CD1-CD1 4.45Å; L1419-T1484 HydrophobicContact CD1-CG2 4.2Å; L1419-I1608 HydrophobicContact CD2-CD1 3.74Å |
| 1420 | K | 92.4 | Very high | 80 | Confident | 85 Ų | 85 | 69 Ų | 69 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.8 | 177.6 | -173 | -165.3 | -179.4 | -157.9 | 0 | 111.1 | D1422 I1477 T1478 | K1420-D1422 WeakPolarHBondContact CE-OD2 3.25Å; K1420-D1422 IonicContact NZ-OD2 3.11Å; K1420-D1422 PolarHBondContact NZ-OD2 3.4Å; K1420-I1477 CarbonylContact O-C 3.58Å; K1420-I1477 WeakPolarHBondContact O-CA 3.49Å; K1420-T1478 PolarHBondContact N-O 3.44Å; K1420-T1478 PolarHBondContact O-N 3.41Å; K1420-T1478 PolarHBondContact O-OG1 3.06Å |
| 1421 | I | 92.4 | Very high | 80.1 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.1 | 174.7 | -62.8 | 155.6 | 0 | 0 | 0 | 106.4 | V1424 I1439 L1441 L1462 I1466 I1477 | I1421-V1424 HydrophobicContact CG2-CB 3.96Å; I1421-V1424 HydrophobicContact CG2-CG2 3.73Å; I1421-I1439 HydrophobicContact CG2-CB 4.39Å; I1421-I1439 HydrophobicContact CG2-CG2 3.98Å; I1421-I1439 WeakPolarHBondContact CG2-O 3.32Å; I1421-L1441 HydrophobicContact CB-CB 4.17Å; I1421-L1441 HydrophobicContact CD1-CB 3.97Å; I1421-L1441 HydrophobicContact CD1-CD2 3.98Å; I1421-L1441 HydrophobicContact CD1-CG 4.36Å; I1421-L1441 PolarHBondContact N-O 3.47Å; I1421-L1441 PolarHBondContact O-N 2.82Å; I1421-L1441 VanDerWaalsContact O-O 3.06Å; I1421-L1462 HydrophobicContact CD1-CD1 4.28Å; I1421-I1466 HydrophobicContact CD1-CD1 4Å; I1421-I1466 HydrophobicContact CD1-CG1 4.06Å; I1421-I1477 HydrophobicContact CB-CG1 4.4Å; I1421-I1477 HydrophobicContact CG1-CB 4.37Å; I1421-I1477 HydrophobicContact CG1-CD1 3.97Å; I1421-I1477 HydrophobicContact CG1-CG1 3.91Å; I1421-I1477 HydrophobicContact CG1-CG2 3.77Å; I1421-I1477 HydrophobicContact CG2-CD1 4.43Å; I1421-I1477 HydrophobicContact CG2-CG1 4.22Å |
| 1422 | D | 91.6 | Very high | 79.9 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 109 | -169.8 | -165.6 | -34 | 0 | 0 | 0 | 109.7 | K1420 V1424 G1475 A1476 | K1420-D1422 WeakPolarHBondContact CE-OD2 3.25Å; K1420-D1422 IonicContact NZ-OD2 3.11Å; K1420-D1422 PolarHBondContact NZ-OD2 3.4Å; D1422-V1424 VanDerWaalsContact C-N 3.34Å; D1422-V1424 PolarHBondContact O-N 3.14Å; D1422-G1475 CarbonylContact O-C 3.6Å; D1422-G1475 WeakPolarHBondContact O-CA 3.49Å; D1422-A1476 PolarHBondContact N-O 3.16Å; D1422-A1476 PolarHBondContact O-N 2.85Å |
| 1423 | N | 91.8 | Very high | 80.1 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 40.1 | 53.9 | -178.7 | 177.7 | 48.8 | 0 | 0 | 0 | 113.7 | H1425 I1439 D1440 G1475 | N1423-H1425 PolarHBondContact O-CD2 3.48Å; N1423-H1425 PolarHBondContact OD1-NE2 3.36Å; N1423-I1439 PolarHBondContact N-O 2.88Å; N1423-D1440 PolarHBondContact N-OD1 3.18Å; N1423-G1475 VanDerWaalsContact O-CA 3.27Å; N1423-G1475 WeakPolarHBondContact O-CA 3.4Å |
| 1424 | V | 90.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.1 | -174.2 | 165.7 | 0 | 0 | 0 | 0 | 112.4 | I1421 D1422 G1438 I1439 L1465 A1472 E1474 A1476 I1477 | I1421-V1424 HydrophobicContact CG2-CB 3.96Å; I1421-V1424 HydrophobicContact CG2-CG2 3.73Å; D1422-V1424 VanDerWaalsContact C-N 3.34Å; D1422-V1424 PolarHBondContact O-N 3.14Å; V1424-G1438 PolarHBondContact O-N 3.23Å; V1424-G1438 VanDerWaalsContact O-N 3.1Å; V1424-I1439 HydrophobicContact CB-CB 4.37Å; V1424-I1439 PolarHBondContact N-O 2.95Å; V1424-I1439 PolarHBondContact O-N 2.84Å; V1424-L1465 HydrophobicContact CG1-CD1 4.24Å; V1424-A1472 HydrophobicContact CG1-CB 3.98Å; V1424-A1472 HydrophobicContact CG2-CB 4.34Å; V1424-E1474 WeakPolarHBondContact CA-O 3.4Å; V1424-A1476 WeakPolarHBondContact CG2-O 3.26Å; V1424-I1477 HydrophobicContact CG2-CD1 4.46Å; V1424-I1477 HydrophobicContact CG2-CG1 3.77Å |
| 1425 | H | 91.8 | Very high | 81.7 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 143 | 169.5 | -57.2 | -103.4 | 0 | 0 | 0 | 109.8 | N1423 L1436 S1437 G1438 T1473 E1474 | N1423-H1425 PolarHBondContact O-CD2 3.48Å; N1423-H1425 PolarHBondContact OD1-NE2 3.36Å; H1425-L1436 CarbonylContact C-O 3.55Å; H1425-L1436 VanDerWaalsContact CA-O 3.26Å; H1425-L1436 WeakPolarHBondContact CA-O 3.45Å; H1425-S1437 WeakPolarHBondContact ND1-CA 3.17Å; H1425-G1438 PolarHBondContact CE1-N 3.32Å; H1425-G1438 PolarHBondContact ND1-N 3.13Å; H1425-G1438 PolarHBondContact NE2-N 2.86Å; H1425-T1473 PolarHBondContact O-N 2.89Å; H1425-E1474 HydrophobicContact CB-CB 4.17Å; H1425-E1474 PolarHBondContact N-O 3.25Å; H1425-E1474 PolarHBondContact O-N 3.07Å |
| 1426 | Y | 90.1 | Very high | 82.9 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 136 | 176.3 | -175.3 | -94.7 | 0 | 0 | 0 | 112.9 | Y1428 V1435 L1436 T1461 L1465 L1470 R1471 | Y1426-Y1428 AromaticContact CE1-CD1 3.72Å; Y1426-Y1428 HydrophobicContact CE1-CD1 3.72Å; Y1426-Y1428 HydrophobicContact CE1-CD2 4.05Å; Y1426-Y1428 AromaticContact CE1-CE1 3.79Å; Y1426-Y1428 HydrophobicContact CE1-CE1 3.79Å; Y1426-Y1428 HydrophobicContact CE1-CE2 4.09Å; Y1426-Y1428 AromaticContact CE1-CG 3.85Å; Y1426-Y1428 HydrophobicContact CE1-CG 3.85Å; Y1426-Y1428 AromaticContact CE1-CZ 3.97Å; Y1426-Y1428 WeakPolarHBondContact OH-CD1 3.38Å; Y1426-V1435 PolarHBondContact O-N 3.23Å; Y1426-L1436 PolarHBondContact N-O 3.35Å; Y1426-L1436 PolarHBondContact O-N 3.14Å; Y1426-T1461 HydrophobicContact CD1-CG2 3.42Å; Y1426-T1461 VanDerWaalsContact CD1-CG2 3.42Å; Y1426-T1461 HydrophobicContact CE1-CG2 3.78Å; Y1426-T1461 HydrophobicContact CG-CG2 4.24Å; Y1426-L1465 HydrophobicContact CD2-CD2 3.97Å; Y1426-L1465 HydrophobicContact CE2-CD2 4.49Å; Y1426-L1465 HydrophobicContact CG-CD1 4.2Å; Y1426-L1465 HydrophobicContact CG-CD2 4.44Å; Y1426-L1470 HydrophobicContact CE1-CD1 4.14Å; Y1426-L1470 HydrophobicContact CE2-CB 4.34Å; Y1426-L1470 HydrophobicContact CE2-CD1 4.4Å; Y1426-R1471 VanDerWaalsContact CD2-O 3.31Å; Y1426-R1471 WeakPolarHBondContact CD2-O 3.47Å; Y1426-R1471 VanDerWaalsContact CE2-O 3.32Å; Y1426-R1471 WeakPolarHBondContact CE2-O 3.48Å |
| 1427 | H | 87.5 | Confident | 83.8 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | trans | -129.4 | 148.1 | 162 | 70.5 | 86.6 | 0 | 0 | 0 | 109.9 | T1473 | H1427-T1473 PolarHBondContact CD2-OG1 3.32Å; H1427-T1473 PolarHBondContact N-OG1 3.22Å | ||
| 1428 | Y | 82.5 | Confident | 84.2 | Confident | 92 Ų | 92 | 63.6 Ų | 63.6 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | trans | -67.8 | 150.5 | 171.6 | -70.9 | -78 | 0 | 0 | 0 | 110.4 | Y1426 E1430 G1431 V1435 T1461 L1470 | Y1426-Y1428 AromaticContact CE1-CD1 3.72Å; Y1426-Y1428 HydrophobicContact CE1-CD1 3.72Å; Y1426-Y1428 HydrophobicContact CE1-CD2 4.05Å; Y1426-Y1428 AromaticContact CE1-CE1 3.79Å; Y1426-Y1428 HydrophobicContact CE1-CE1 3.79Å; Y1426-Y1428 HydrophobicContact CE1-CE2 4.09Å; Y1426-Y1428 AromaticContact CE1-CG 3.85Å; Y1426-Y1428 HydrophobicContact CE1-CG 3.85Å; Y1426-Y1428 AromaticContact CE1-CZ 3.97Å; Y1426-Y1428 WeakPolarHBondContact OH-CD1 3.38Å; Y1428-E1430 VanDerWaalsContact C-N 3.26Å; Y1428-E1430 PolarHBondContact O-N 3.49Å; Y1428-G1431 PolarHBondContact O-N 3.42Å; Y1428-V1435 HydrophobicContact CD2-CG2 3.82Å; Y1428-V1435 HydrophobicContact CE2-CG1 4.42Å; Y1428-V1435 HydrophobicContact CE2-CG2 3.96Å; Y1428-T1461 HydrophobicContact CE2-CG2 4.31Å; Y1428-T1461 PolarHBondContact OH-OG1 3Å; Y1428-L1470 HydrophobicContact CE1-CD1 4.28Å | ||
| 1429 | P | 73.5 | Confident | 84.3 | Confident | 116 Ų | 116 | 61.3 Ų | 61.3 | 75% | 0.753 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -34 | -175.5 | -28.2 | 36.1 | 0 | 0 | 0 | 114.9 | ||
| 1430 | E | 69.8 | Low | 84.3 | Confident | 195 Ų | 195 | 65 Ų | 65 | 91% | 0.911 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -13.6 | 177.2 | -56.2 | -172.8 | 160.7 | 0 | 0 | 112.9 | Y1428 | Y1428-E1430 VanDerWaalsContact C-N 3.26Å; Y1428-E1430 PolarHBondContact O-N 3.49Å |
| 1431 | G | 66.2 | Low | 84.2 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | trans | -91.5 | 119.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y1428 K1433 | Y1428-G1431 PolarHBondContact O-N 3.42Å; G1431-K1433 VanDerWaalsContact C-N 3.34Å | ||
| 1432 | K | 64 | Low | 84.1 | Confident | 219 Ų | 219 | 64.6 Ų | 64.6 | 95% | 0.952 | 34% | 0.339 | S | S | * | . | trans | -77.5 | -12.7 | 172.5 | -69.1 | -176.2 | 179.6 | 176.1 | 0 | 114.6 | ||||
| 1433 | K | 74.2 | Confident | 84 | Confident | 134 Ų | 134 | 61.4 Ų | 61.4 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -87.7 | 128 | 175.2 | -163.4 | -168.4 | 174.6 | -177.6 | 0 | 108.6 | G1431 D1628 | G1431-K1433 VanDerWaalsContact C-N 3.34Å; K1433-D1628 IonicContact NZ-OD1 3.56Å; K1433-D1628 PolarHBondContact NZ-OD1 3.48Å |
| 1434 | S | 80.3 | Confident | 83.9 | Confident | 47 Ų | 47 | 65 Ų | 65 | 33% | 0.329 | 33% | 0.331 | S | S | . | . | trans | -62.3 | 133.9 | 164.6 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | L1436 S1437 | S1434-L1436 PolarHBondContact OG-O 2.98Å; S1434-S1437 WeakPolarHBondContact CB-OG 3.37Å; S1434-S1437 PolarHBondContact OG-OG 2.95Å | ||
| 1435 | V | 85.6 | Confident | 83.6 | Confident | 29 Ų | 29 | 68.1 Ų | 68.1 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -100.6 | -31.3 | -178 | -178.9 | 0 | 0 | 0 | 0 | 111 | Y1426 Y1428 T1461 G1629 | Y1426-V1435 PolarHBondContact O-N 3.23Å; Y1428-V1435 HydrophobicContact CD2-CG2 3.82Å; Y1428-V1435 HydrophobicContact CE2-CG1 4.42Å; Y1428-V1435 HydrophobicContact CE2-CG2 3.96Å; V1435-T1461 HydrophobicContact CG1-CG2 4.07Å; V1435-G1629 WeakPolarHBondContact O-CA 3.38Å |
| 1436 | L | 89.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.4 | 172 | -64.2 | 173.8 | 0 | 0 | 0 | 108.2 | H1425 Y1426 S1434 I1439 T1461 L1462 L1465 I1626 G1629 | H1425-L1436 CarbonylContact C-O 3.55Å; H1425-L1436 VanDerWaalsContact CA-O 3.26Å; H1425-L1436 WeakPolarHBondContact CA-O 3.45Å; Y1426-L1436 PolarHBondContact N-O 3.35Å; Y1426-L1436 PolarHBondContact O-N 3.14Å; S1434-L1436 PolarHBondContact OG-O 2.98Å; L1436-I1439 HydrophobicContact CB-CG1 3.95Å; L1436-I1439 HydrophobicContact CD2-CD1 4.16Å; L1436-I1439 HydrophobicContact CD2-CG1 4.07Å; L1436-I1439 HydrophobicContact CG-CG1 4.42Å; L1436-T1461 HydrophobicContact CD1-CG2 4.27Å; L1436-L1462 HydrophobicContact CD1-CB 3.93Å; L1436-L1462 HydrophobicContact CD1-CD1 4.27Å; L1436-L1465 HydrophobicContact CD1-CD1 3.51Å; L1436-I1626 HydrophobicContact CD2-CG2 4.41Å; L1436-G1629 CarbonylContact C-O 3.58Å; L1436-G1629 WeakPolarHBondContact CA-O 3.48Å |
| 1437 | S | 89 | Confident | 83.3 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 15% | 0.147 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 104 | -174.4 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | H1425 S1434 G1629 H1630 | H1425-S1437 WeakPolarHBondContact ND1-CA 3.17Å; S1434-S1437 WeakPolarHBondContact CB-OG 3.37Å; S1434-S1437 PolarHBondContact OG-OG 2.95Å; S1437-G1629 PolarHBondContact N-O 3.48Å; S1437-H1630 PolarHBondContact O-CD2 3.33Å |
| 1438 | G | 87.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.2 | 49.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1424 H1425 | V1424-G1438 PolarHBondContact O-N 3.23Å; V1424-G1438 VanDerWaalsContact O-N 3.1Å; H1425-G1438 PolarHBondContact CE1-N 3.32Å; H1425-G1438 PolarHBondContact ND1-N 3.13Å; H1425-G1438 PolarHBondContact NE2-N 2.86Å |
| 1439 | I | 90 | Very high | 84 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.6 | 174 | -53 | -62.6 | 0 | 0 | 0 | 109.2 | I1421 N1423 V1424 L1436 L1462 G1629 L1631 | I1421-I1439 HydrophobicContact CG2-CB 4.39Å; I1421-I1439 HydrophobicContact CG2-CG2 3.98Å; I1421-I1439 WeakPolarHBondContact CG2-O 3.32Å; N1423-I1439 PolarHBondContact N-O 2.88Å; V1424-I1439 HydrophobicContact CB-CB 4.37Å; V1424-I1439 PolarHBondContact N-O 2.95Å; V1424-I1439 PolarHBondContact O-N 2.84Å; L1436-I1439 HydrophobicContact CB-CG1 3.95Å; L1436-I1439 HydrophobicContact CD2-CD1 4.16Å; L1436-I1439 HydrophobicContact CD2-CG1 4.07Å; L1436-I1439 HydrophobicContact CG-CG1 4.42Å; I1439-L1462 HydrophobicContact CG2-CD1 4.32Å; I1439-L1462 HydrophobicContact CG2-CD2 4.37Å; I1439-G1629 WeakPolarHBondContact CD1-O 3.43Å; I1439-L1631 HydrophobicContact CD1-CG 4Å; I1439-L1631 HydrophobicContact CG2-CD1 4.14Å; I1439-L1631 HydrophobicContact CG2-CG 4.46Å |
| 1440 | D | 90.5 | Very high | 84.8 | Confident | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128 | 173.2 | -79.2 | -63.8 | 0 | 0 | 0 | 109.6 | N1423 L1631 | N1423-D1440 PolarHBondContact N-OD1 3.18Å; D1440-L1631 WeakPolarHBondContact O-CD1 3.22Å |
| 1441 | L | 89.6 | Confident | 85.8 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 148.3 | 177.6 | 179.9 | 63.3 | 0 | 0 | 0 | 111.2 | I1421 I1449 I1624 | I1421-L1441 HydrophobicContact CB-CB 4.17Å; I1421-L1441 HydrophobicContact CD1-CB 3.97Å; I1421-L1441 HydrophobicContact CD1-CD2 3.98Å; I1421-L1441 HydrophobicContact CD1-CG 4.36Å; I1421-L1441 PolarHBondContact N-O 3.47Å; I1421-L1441 PolarHBondContact O-N 2.82Å; I1421-L1441 VanDerWaalsContact O-O 3.06Å; L1441-I1449 HydrophobicContact CD1-CD1 3.81Å; L1441-I1449 HydrophobicContact CD2-CD1 3.63Å; L1441-I1449 HydrophobicContact CG-CD1 4.35Å; L1441-I1624 HydrophobicContact CD2-CD1 4.23Å |
| 1442 | T | 90.2 | Very high | 86.9 | Confident | 68 Ų | 68 | 44.4 Ų | 44.4 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.5 | 168.4 | -57 | 0 | 0 | 0 | 0 | 109.1 | T1418 L1419 | T1418-T1442 HydrophobicContact CG2-CG2 3.99Å; L1419-T1442 WeakPolarHBondContact O-CA 3.26Å |
| 1443 | L | 89.5 | Confident | 87.7 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.9 | -177.8 | -170.4 | 71.2 | 0 | 0 | 0 | 109 | L1419 E1447 I1449 T1606 I1608 | L1419-L1443 HydrophobicContact CB-CB 4.35Å; L1419-L1443 PolarHBondContact N-O 2.83Å; L1419-L1443 PolarHBondContact O-N 2.64Å; L1443-E1447 HydrophobicContact CD1-CB 3.81Å; L1443-E1447 HydrophobicContact CD1-CG 3.79Å; L1443-E1447 HydrophobicContact CG-CB 4.37Å; L1443-I1449 HydrophobicContact CD1-CB 3.96Å; L1443-I1449 HydrophobicContact CD1-CG2 3.72Å; L1443-I1449 HydrophobicContact CD2-CG2 4.04Å; L1443-T1606 HydrophobicContact CD2-CG2 3.67Å; L1443-T1606 HydrophobicContact CG-CG2 3.9Å; L1443-I1608 HydrophobicContact CD2-CD1 3.86Å; L1443-I1608 HydrophobicContact CD2-CG1 3.54Å |
| 1444 | R | 88.7 | Confident | 87.8 | Confident | 147 Ų | 147 | 35.8 Ų | 35.8 | 56% | 0.555 | 19% | 0.194 | S | C | * | . | trans | -90.7 | 160.4 | -176.5 | -66.6 | 163.7 | -72.1 | -173.5 | -1.9 | 111.3 | G1446 E1447 | R1444-G1446 PolarHBondContact O-N 2.81Å; R1444-E1447 HydrophobicContact CB-CB 4.4Å; R1444-E1447 VanDerWaalsContact CB-OE2 3.32Å; R1444-E1447 WeakPolarHBondContact CB-OE2 3.35Å; R1444-E1447 IonicContact CZ-OE1 3.35Å; R1444-E1447 IonicContact CZ-OE2 2.7Å; R1444-E1447 PolarHBondContact N-OE2 2.78Å; R1444-E1447 IonicContact NE-OE1 3.04Å; R1444-E1447 IonicContact NE-OE2 3.11Å; R1444-E1447 PolarHBondContact NE-OE2 3.28Å; R1444-E1447 IonicContact NH2-OE1 2.7Å; R1444-E1447 PolarHBondContact NH2-OE1 3.09Å; R1444-E1447 IonicContact NH2-OE2 2.87Å; R1444-E1447 PolarHBondContact NH2-OE2 2.62Å; R1444-E1447 WeakPolarHBondContact O-CB 3.41Å; R1444-E1447 PolarHBondContact O-N 3.07Å | ||
| 1445 | P | 86 | Confident | 87.3 | Confident | 65 Ų | 65 | 38.9 Ų | 38.9 | 42% | 0.422 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 124.9 | 176 | -23.3 | 28.6 | 0 | 0 | 0 | 112.3 | A1416 L1417 E1447 | A1416-P1445 HydrophobicContact CB-CB 4.2Å; A1416-P1445 HydrophobicContact CB-CG 3.74Å; L1417-P1445 WeakPolarHBondContact O-CD 3.42Å; L1417-P1445 WeakPolarHBondContact O-CG 3.16Å; P1445-E1447 VanDerWaalsContact C-N 3.3Å; P1445-E1447 PolarHBondContact O-N 2.93Å |
| 1446 | G | 86.1 | Confident | 86.7 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -6.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | R1444 K1448 T1606 | R1444-G1446 PolarHBondContact O-N 2.81Å; G1446-K1448 PolarHBondContact O-NZ 3.09Å; G1446-T1606 PolarHBondContact N-OG1 2.67Å |
| 1447 | E | 89.7 | Confident | 86.3 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | trans | -71.3 | 140.4 | 178.3 | -167.3 | 166.5 | -162.6 | 0 | 0 | 111 | L1443 R1444 P1445 T1606 I1607 D1621 Q1622 | L1443-E1447 HydrophobicContact CD1-CB 3.81Å; L1443-E1447 HydrophobicContact CD1-CG 3.79Å; L1443-E1447 HydrophobicContact CG-CB 4.37Å; R1444-E1447 HydrophobicContact CB-CB 4.4Å; R1444-E1447 VanDerWaalsContact CB-OE2 3.32Å; R1444-E1447 WeakPolarHBondContact CB-OE2 3.35Å; R1444-E1447 IonicContact CZ-OE1 3.35Å; R1444-E1447 IonicContact CZ-OE2 2.7Å; R1444-E1447 PolarHBondContact N-OE2 2.78Å; R1444-E1447 IonicContact NE-OE1 3.04Å; R1444-E1447 IonicContact NE-OE2 3.11Å; R1444-E1447 PolarHBondContact NE-OE2 3.28Å; R1444-E1447 IonicContact NH2-OE1 2.7Å; R1444-E1447 PolarHBondContact NH2-OE1 3.09Å; R1444-E1447 IonicContact NH2-OE2 2.87Å; R1444-E1447 PolarHBondContact NH2-OE2 2.62Å; R1444-E1447 WeakPolarHBondContact O-CB 3.41Å; R1444-E1447 PolarHBondContact O-N 3.07Å; P1445-E1447 VanDerWaalsContact C-N 3.3Å; P1445-E1447 PolarHBondContact O-N 2.93Å; E1447-T1606 VanDerWaalsContact O-CG2 3.28Å; E1447-T1606 WeakPolarHBondContact O-CG2 3.28Å; E1447-I1607 PolarHBondContact O-N 3.43Å; E1447-D1621 HydrophobicContact CG-CB 4.04Å; E1447-Q1622 PolarHBondContact OE1-NE2 2.76Å | ||
| 1448 | K | 91.7 | Very high | 86 | Confident | 31 Ų | 31 | 41 Ų | 41 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.3 | -173.5 | -62.1 | 173 | 175.1 | 46.5 | 0 | 110.2 | G1446 Q1603 K1605 I1607 M1620 D1621 Q1622 | G1446-K1448 PolarHBondContact O-NZ 3.09Å; K1448-Q1603 WeakPolarHBondContact CE-O 3.29Å; K1448-Q1603 PolarHBondContact NZ-O 3.09Å; K1448-K1605 PolarHBondContact NZ-O 3.47Å; K1448-I1607 WeakPolarHBondContact CA-O 3.45Å; K1448-I1607 HydrophobicContact CB-CB 4.39Å; K1448-I1607 HydrophobicContact CD-CD1 4.14Å; K1448-I1607 HydrophobicContact CG-CB 4.05Å; K1448-I1607 HydrophobicContact CG-CD1 4.25Å; K1448-I1607 HydrophobicContact CG-CG1 4.15Å; K1448-M1620 HydrophobicContact CB-CE 3.83Å; K1448-M1620 HydrophobicContact CB-SD 4.23Å; K1448-D1621 PolarHBondContact N-OD2 3.46Å; K1448-D1621 PolarHBondContact O-N 3.44Å; K1448-Q1622 PolarHBondContact O-N 3.41Å; K1448-Q1622 VanDerWaalsContact O-N 3.15Å |
| 1449 | I | 92.3 | Very high | 86 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.3 | -175.9 | -170.9 | 174.4 | 0 | 0 | 0 | 112.3 | L1441 L1443 I1607 I1608 W1609 Q1622 I1624 | L1441-I1449 HydrophobicContact CD1-CD1 3.81Å; L1441-I1449 HydrophobicContact CD2-CD1 3.63Å; L1441-I1449 HydrophobicContact CG-CD1 4.35Å; L1443-I1449 HydrophobicContact CD1-CB 3.96Å; L1443-I1449 HydrophobicContact CD1-CG2 3.72Å; L1443-I1449 HydrophobicContact CD2-CG2 4.04Å; I1449-I1607 PolarHBondContact N-O 3.48Å; I1449-I1608 HydrophobicContact CG2-CB 4.29Å; I1449-I1608 HydrophobicContact CG2-CG1 4.07Å; I1449-I1608 HydrophobicContact CG2-CG2 4.23Å; I1449-W1609 PolarHBondContact O-N 3.35Å; I1449-Q1622 WeakPolarHBondContact CA-O 3.43Å; I1449-Q1622 HydrophobicContact CD1-CB 4.5Å; I1449-Q1622 HydrophobicContact CG1-CB 4.11Å; I1449-I1624 HydrophobicContact CD1-CD1 4.03Å; I1449-I1624 HydrophobicContact CD1-CG1 4.08Å; I1449-I1624 HydrophobicContact CD1-CG2 4.09Å; I1449-I1624 HydrophobicContact CG1-CG1 4.46Å |
| 1450 | A | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1609 I1617 M1620 Q1622 V1623 I1624 | A1450-W1609 CarbonylContact C-O 3.46Å; A1450-W1609 VanDerWaalsContact CA-O 3.3Å; A1450-W1609 WeakPolarHBondContact CA-O 3.46Å; A1450-I1617 HydrophobicContact CB-CD1 4.21Å; A1450-I1617 HydrophobicContact CB-CG1 4.24Å; A1450-M1620 HydrophobicContact CB-CG 3.78Å; A1450-M1620 HydrophobicContact CB-SD 4.02Å; A1450-Q1622 PolarHBondContact N-O 3.09Å; A1450-V1623 HydrophobicContact CB-CG1 4.26Å; A1450-V1623 HydrophobicContact CB-CG2 4.5Å; A1450-V1623 WeakPolarHBondContact O-CA 3.36Å; A1450-I1624 PolarHBondContact O-N 3.21Å |
| 1451 | I | 90.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 106.5 | 177.9 | -49.8 | -170.5 | 0 | 0 | 0 | 109.1 | K1459 L1462 I1608 W1609 I1610 T1611 I1624 I1626 | I1451-K1459 HydrophobicContact CG2-CB 4.49Å; I1451-L1462 HydrophobicContact CD1-CD2 4.31Å; I1451-I1608 HydrophobicContact CD1-CG2 3.63Å; I1451-I1608 HydrophobicContact CG1-CG2 4.28Å; I1451-W1609 PolarHBondContact N-O 2.96Å; I1451-I1610 HydrophobicContact CB-CG1 4.06Å; I1451-I1610 HydrophobicContact CD1-CG1 4.25Å; I1451-I1610 HydrophobicContact CG1-CG1 4.46Å; I1451-T1611 PolarHBondContact O-N 2.93Å; I1451-I1624 HydrophobicContact CB-CD1 4.4Å; I1451-I1624 HydrophobicContact CB-CG1 4.2Å; I1451-I1624 HydrophobicContact CD1-CD1 4.21Å; I1451-I1624 HydrophobicContact CG1-CD1 3.91Å; I1451-I1624 HydrophobicContact CG1-CG1 3.99Å; I1451-I1624 HydrophobicContact CG2-CD1 4.1Å; I1451-I1624 HydrophobicContact CG2-CG1 4.14Å; I1451-I1626 HydrophobicContact CG2-CD1 3.8Å; I1451-I1626 HydrophobicContact CG2-CG1 4.38Å |
| 1452 | L | 87.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 162.2 | -179.7 | -58.1 | -177.4 | 0 | 0 | 0 | 111.9 | T1611 L1614 I1617 V1623 I1624 F1625 I1626 | L1452-T1611 HydrophobicContact CD2-CG2 3.65Å; L1452-T1611 WeakPolarHBondContact CD2-O 3.19Å; L1452-L1614 HydrophobicContact CD1-CD2 3.54Å; L1452-L1614 HydrophobicContact CD2-CD2 4.18Å; L1452-I1617 HydrophobicContact CD1-CD1 4.06Å; L1452-I1617 HydrophobicContact CD2-CD1 3.77Å; L1452-I1617 HydrophobicContact CG-CD1 4.32Å; L1452-V1623 HydrophobicContact CD1-CG1 3.48Å; L1452-V1623 VanDerWaalsContact CD1-CG1 3.48Å; L1452-V1623 HydrophobicContact CG-CG1 3.86Å; L1452-I1624 WeakPolarHBondContact CB-O 3.28Å; L1452-I1624 PolarHBondContact N-O 3.22Å; L1452-F1625 HydrophobicContact CB-CB 4.44Å; L1452-F1625 HydrophobicContact CB-CD2 3.46Å; L1452-F1625 VanDerWaalsContact CB-CD2 3.46Å; L1452-F1625 HydrophobicContact CB-CE2 4.08Å; L1452-F1625 HydrophobicContact CB-CG 4.25Å; L1452-F1625 HydrophobicContact CD1-CD2 4.32Å; L1452-F1625 WeakPolarHBondContact O-CA 3.24Å; L1452-I1626 PolarHBondContact O-N 3.2Å |
| 1453 | G | 81.5 | Confident | 85.5 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | trans | 149 | 158.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1459 I1626 | G1453-K1459 PolarHBondContact O-NZ 2.85Å; G1453-I1626 WeakPolarHBondContact CA-O 3.21Å | ||
| 1454 | R | 75.8 | Confident | 85.5 | Confident | 164 Ų | 164 | 37.5 Ų | 37.5 | 62% | 0.619 | 22% | 0.221 | S | C | * | . | trans | -61.8 | 156 | 178.6 | -51.6 | -173.6 | -163.8 | -138.6 | 10.1 | 111.3 | G1456 S1457 E1627 | R1454-G1456 PolarHBondContact O-N 2.78Å; R1454-S1457 VanDerWaalsContact O-CB 3.3Å; R1454-S1457 WeakPolarHBondContact O-CB 3.47Å; R1454-S1457 PolarHBondContact O-N 3.42Å; R1454-S1457 PolarHBondContact O-OG 3.15Å; R1454-E1627 IonicContact CZ-OE1 3.5Å; R1454-E1627 IonicContact NE-OE1 2.83Å; R1454-E1627 PolarHBondContact NE-OE1 3.47Å; R1454-E1627 IonicContact NH2-OE1 2.71Å; R1454-E1627 PolarHBondContact NH2-OE1 2.89Å | ||
| 1455 | S | 70.7 | Confident | 85.6 | Confident | 112 Ų | 112 | 30.6 Ų | 30.6 | 78% | 0.783 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 129.4 | 169.2 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1456 | G | 71.9 | Confident | 85.8 | Confident | 80 Ų | 80 | 27.6 Ų | 27.6 | 83% | 0.825 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 5.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R1454 G1458 | R1454-G1456 PolarHBondContact O-N 2.78Å; G1456-G1458 VanDerWaalsContact C-N 3.27Å; G1456-G1458 PolarHBondContact O-N 2.86Å |
| 1457 | S | 82.2 | Confident | 85.9 | Confident | 10 Ų | 10 | 27.2 Ų | 27.2 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -75.4 | -9.4 | 178.6 | 78 | 0 | 0 | 0 | 0 | 115.4 | R1454 I1626 G1629 | R1454-S1457 VanDerWaalsContact O-CB 3.3Å; R1454-S1457 WeakPolarHBondContact O-CB 3.47Å; R1454-S1457 PolarHBondContact O-N 3.42Å; R1454-S1457 PolarHBondContact O-OG 3.15Å; S1457-I1626 WeakPolarHBondContact CB-O 3.21Å; S1457-I1626 VanDerWaalsContact O-CG2 3.26Å; S1457-I1626 WeakPolarHBondContact O-CG2 3.1Å; S1457-I1626 PolarHBondContact OG-O 3.03Å; S1457-G1629 PolarHBondContact O-N 3.06Å |
| 1458 | G | 82.9 | Confident | 85.7 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 118.2 | -2.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G1456 S1460 T1461 L1462 | G1456-G1458 VanDerWaalsContact C-N 3.27Å; G1456-G1458 PolarHBondContact O-N 2.86Å; G1458-S1460 PolarHBondContact O-N 3.5Å; G1458-T1461 WeakPolarHBondContact O-CB 3.34Å; G1458-T1461 PolarHBondContact O-N 3Å; G1458-T1461 VanDerWaalsContact O-N 3.1Å; G1458-L1462 PolarHBondContact O-N 2.96Å |
| 1459 | K | 87 | Confident | 85.3 | Confident | 10 Ų | 10 | 29.5 Ų | 29.5 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -50.1 | -58.1 | -174.4 | -41.8 | -159 | -53.5 | -90.1 | 0 | 113.7 | I1451 G1453 T1461 L1462 A1463 E1581 I1610 | I1451-K1459 HydrophobicContact CG2-CB 4.49Å; G1453-K1459 PolarHBondContact O-NZ 2.85Å; K1459-T1461 VanDerWaalsContact C-N 3.29Å; K1459-T1461 PolarHBondContact O-N 3.3Å; K1459-L1462 WeakPolarHBondContact O-CB 3.33Å; K1459-L1462 PolarHBondContact O-N 3.3Å; K1459-L1462 VanDerWaalsContact O-N 3.13Å; K1459-A1463 PolarHBondContact O-N 3.19Å; K1459-A1463 VanDerWaalsContact O-N 3.07Å; K1459-E1581 VanDerWaalsContact CE-OE1 3.31Å; K1459-E1581 WeakPolarHBondContact CE-OE1 3.36Å; K1459-E1581 IonicContact NZ-OE1 3.01Å; K1459-E1581 PolarHBondContact NZ-OE1 3.26Å; K1459-I1610 HydrophobicContact CB-CD1 4.47Å; K1459-I1610 HydrophobicContact CB-CG2 3.77Å; K1459-I1610 HydrophobicContact CD-CG2 3.95Å; K1459-I1610 HydrophobicContact CG-CG2 4.48Å |
| 1460 | S | 83.3 | Confident | 85.1 | Confident | 56 Ų | 56 | 31.3 Ų | 31.3 | 39% | 0.392 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -69.9 | -25.8 | -178.6 | -44.6 | 0 | 0 | 0 | 0 | 112.7 | G1458 A1463 N1464 | G1458-S1460 PolarHBondContact O-N 3.5Å; S1460-A1463 WeakPolarHBondContact O-CB 3.42Å; S1460-A1463 PolarHBondContact O-N 2.88Å; S1460-N1464 PolarHBondContact O-N 3Å; S1460-N1464 PolarHBondContact O-OD1 2.95Å |
| 1461 | T | 87.6 | Confident | 84.9 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 170.7 | -48.5 | 0 | 0 | 0 | 0 | 110.9 | Y1426 Y1428 V1435 L1436 G1458 K1459 N1464 L1465 L1470 | Y1426-T1461 HydrophobicContact CD1-CG2 3.42Å; Y1426-T1461 VanDerWaalsContact CD1-CG2 3.42Å; Y1426-T1461 HydrophobicContact CE1-CG2 3.78Å; Y1426-T1461 HydrophobicContact CG-CG2 4.24Å; Y1428-T1461 HydrophobicContact CE2-CG2 4.31Å; Y1428-T1461 PolarHBondContact OH-OG1 3Å; V1435-T1461 HydrophobicContact CG1-CG2 4.07Å; L1436-T1461 HydrophobicContact CD1-CG2 4.27Å; G1458-T1461 WeakPolarHBondContact O-CB 3.34Å; G1458-T1461 PolarHBondContact O-N 3Å; G1458-T1461 VanDerWaalsContact O-N 3.1Å; K1459-T1461 VanDerWaalsContact C-N 3.29Å; K1459-T1461 PolarHBondContact O-N 3.3Å; T1461-N1464 PolarHBondContact O-N 2.82Å; T1461-L1465 HydrophobicContact CG2-CD1 4.32Å; T1461-L1465 WeakPolarHBondContact O-CD1 3.23Å; T1461-L1465 VanDerWaalsContact O-CG 3.31Å; T1461-L1465 WeakPolarHBondContact O-CG 3.48Å; T1461-L1465 PolarHBondContact O-N 3.44Å; T1461-L1470 HydrophobicContact CG2-CD1 4.19Å |
| 1462 | L | 90.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 174 | -177.7 | 59.8 | 0 | 0 | 0 | 111.5 | I1421 L1436 I1439 I1451 G1458 K1459 L1465 I1466 I1477 I1626 | I1421-L1462 HydrophobicContact CD1-CD1 4.28Å; L1436-L1462 HydrophobicContact CD1-CB 3.93Å; L1436-L1462 HydrophobicContact CD1-CD1 4.27Å; I1439-L1462 HydrophobicContact CG2-CD1 4.32Å; I1439-L1462 HydrophobicContact CG2-CD2 4.37Å; I1451-L1462 HydrophobicContact CD1-CD2 4.31Å; G1458-L1462 PolarHBondContact O-N 2.96Å; K1459-L1462 WeakPolarHBondContact O-CB 3.33Å; K1459-L1462 PolarHBondContact O-N 3.3Å; K1459-L1462 VanDerWaalsContact O-N 3.13Å; L1462-L1465 PolarHBondContact O-N 3.49Å; L1462-I1466 HydrophobicContact CD1-CD1 4.27Å; L1462-I1466 HydrophobicContact CD1-CG1 4.42Å; L1462-I1466 HydrophobicContact CG-CD1 3.96Å; L1462-I1466 VanDerWaalsContact O-CG1 3.27Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.37Å; L1462-I1466 PolarHBondContact O-N 2.84Å; L1462-I1477 HydrophobicContact CD1-CD1 4.41Å; L1462-I1626 HydrophobicContact CD2-CD1 3.81Å |
| 1463 | A | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.8 | -51.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1459 S1460 L1465 I1466 R1467 L1578 I1610 | K1459-A1463 PolarHBondContact O-N 3.19Å; K1459-A1463 VanDerWaalsContact O-N 3.07Å; S1460-A1463 WeakPolarHBondContact O-CB 3.42Å; S1460-A1463 PolarHBondContact O-N 2.88Å; A1463-L1465 VanDerWaalsContact C-N 3.27Å; A1463-L1465 PolarHBondContact O-N 3.23Å; A1463-I1466 PolarHBondContact O-N 3.35Å; A1463-I1466 VanDerWaalsContact O-N 3.1Å; A1463-R1467 WeakPolarHBondContact O-CG 3.45Å; A1463-R1467 PolarHBondContact O-N 3.46Å; A1463-L1578 HydrophobicContact CB-CD1 4.23Å; A1463-L1578 HydrophobicContact CB-CD2 3.77Å; A1463-I1610 HydrophobicContact CB-CD1 3.6Å |
| 1464 | N | 87.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 22% | 0.219 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -34.1 | -179.6 | -65.2 | -2.7 | 0 | 0 | 0 | 112.5 | S1460 T1461 R1467 G1468 D1469 L1470 | S1460-N1464 PolarHBondContact O-N 3Å; S1460-N1464 PolarHBondContact O-OD1 2.95Å; T1461-N1464 PolarHBondContact O-N 2.82Å; N1464-R1467 PolarHBondContact OD1-NH2 2.82Å; N1464-G1468 PolarHBondContact O-N 3.18Å; N1464-D1469 HydrophobicContact CB-CB 4.36Å; N1464-D1469 PolarHBondContact O-N 3.38Å; N1464-L1470 HydrophobicContact CB-CD1 3.66Å; N1464-L1470 HydrophobicContact CB-CG 3.89Å; N1464-L1470 PolarHBondContact O-N 3.38Å |
| 1465 | L | 90.7 | Very high | 85.8 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.9 | -39.9 | 173.4 | -68.8 | 158.5 | 0 | 0 | 0 | 111.8 | V1424 Y1426 L1436 T1461 L1462 A1463 R1467 G1468 L1470 R1471 A1472 I1477 T1484 | V1424-L1465 HydrophobicContact CG1-CD1 4.24Å; Y1426-L1465 HydrophobicContact CD2-CD2 3.97Å; Y1426-L1465 HydrophobicContact CE2-CD2 4.49Å; Y1426-L1465 HydrophobicContact CG-CD1 4.2Å; Y1426-L1465 HydrophobicContact CG-CD2 4.44Å; L1436-L1465 HydrophobicContact CD1-CD1 3.51Å; T1461-L1465 HydrophobicContact CG2-CD1 4.32Å; T1461-L1465 WeakPolarHBondContact O-CD1 3.23Å; T1461-L1465 VanDerWaalsContact O-CG 3.31Å; T1461-L1465 WeakPolarHBondContact O-CG 3.48Å; T1461-L1465 PolarHBondContact O-N 3.44Å; L1462-L1465 PolarHBondContact O-N 3.49Å; A1463-L1465 VanDerWaalsContact C-N 3.27Å; A1463-L1465 PolarHBondContact O-N 3.23Å; L1465-R1467 VanDerWaalsContact C-N 3.34Å; L1465-R1467 PolarHBondContact O-N 2.89Å; L1465-G1468 PolarHBondContact O-N 2.78Å; L1465-G1468 VanDerWaalsContact O-N 3.09Å; L1465-L1470 HydrophobicContact CD2-CB 3.6Å; L1465-L1470 HydrophobicContact CG-CB 3.95Å; L1465-R1471 VanDerWaalsContact CD2-C 3.47Å; L1465-A1472 HydrophobicContact CD2-CB 4.39Å; L1465-I1477 HydrophobicContact CB-CD1 3.54Å; L1465-T1484 PolarHBondContact O-OG1 3.25Å; L1465-T1484 VanDerWaalsContact O-OG1 3.06Å |
| 1466 | I | 91.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 175.5 | -70.7 | 166.2 | 0 | 0 | 0 | 111.2 | L1419 I1421 L1462 A1463 G1468 I1477 T1484 L1495 I1608 | L1419-I1466 HydrophobicContact CD1-CG2 4.34Å; L1419-I1466 HydrophobicContact CD2-CD1 4.38Å; L1419-I1466 HydrophobicContact CD2-CG1 4.28Å; L1419-I1466 HydrophobicContact CD2-CG2 3.73Å; I1421-I1466 HydrophobicContact CD1-CD1 4Å; I1421-I1466 HydrophobicContact CD1-CG1 4.06Å; L1462-I1466 HydrophobicContact CD1-CD1 4.27Å; L1462-I1466 HydrophobicContact CD1-CG1 4.42Å; L1462-I1466 HydrophobicContact CG-CD1 3.96Å; L1462-I1466 VanDerWaalsContact O-CG1 3.27Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.37Å; L1462-I1466 PolarHBondContact O-N 2.84Å; A1463-I1466 PolarHBondContact O-N 3.35Å; A1463-I1466 VanDerWaalsContact O-N 3.1Å; I1466-G1468 PolarHBondContact O-N 2.86Å; I1466-I1477 HydrophobicContact CG1-CD1 4.11Å; I1466-T1484 WeakPolarHBondContact O-CB 3.46Å; I1466-T1484 WeakPolarHBondContact O-CG2 3.35Å; I1466-L1495 HydrophobicContact CG2-CD1 3.73Å; I1466-I1608 HydrophobicContact CD1-CD1 4.44Å; I1466-I1608 HydrophobicContact CG2-CD1 4.12Å |
| 1467 | R | 87.8 | Confident | 87.8 | Confident | 20 Ų | 20 | 34.5 Ų | 34.5 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12.9 | 173.1 | -63 | -162.1 | -52 | -105.6 | -5.1 | 114.2 | F894 A1463 N1464 L1465 D1469 L1495 V1497 L1578 | F894-R1467 VanDerWaalsContact CE1-CZ 3.44Å; A1463-R1467 WeakPolarHBondContact O-CG 3.45Å; A1463-R1467 PolarHBondContact O-N 3.46Å; N1464-R1467 PolarHBondContact OD1-NH2 2.82Å; L1465-R1467 VanDerWaalsContact C-N 3.34Å; L1465-R1467 PolarHBondContact O-N 2.89Å; R1467-D1469 VanDerWaalsContact C-N 3.29Å; R1467-D1469 IonicContact CZ-OD2 2.68Å; R1467-D1469 IonicContact NE-OD2 3.67Å; R1467-D1469 PolarHBondContact NE-OD2 3.07Å; R1467-D1469 IonicContact NH2-OD2 3.63Å; R1467-D1469 PolarHBondContact NH2-OD2 2.97Å; R1467-D1469 PolarHBondContact O-N 3.33Å; R1467-L1495 HydrophobicContact CG-CD2 3.99Å; R1467-V1497 HydrophobicContact CG-CG2 4.37Å; R1467-L1578 HydrophobicContact CG-CD2 3.9Å |
| 1468 | G | 86.5 | Confident | 88.2 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N1464 L1465 I1466 L1470 | N1464-G1468 PolarHBondContact O-N 3.18Å; L1465-G1468 PolarHBondContact O-N 2.78Å; L1465-G1468 VanDerWaalsContact O-N 3.09Å; I1466-G1468 PolarHBondContact O-N 2.86Å; G1468-L1470 PolarHBondContact O-N 3.31Å |
| 1469 | D | 83.2 | Confident | 88.5 | Confident | 79 Ų | 79 | 35.1 Ų | 35.1 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -59.8 | -29.9 | 172.9 | -69.5 | -62.6 | 0 | 0 | 0 | 112.2 | N1464 R1467 | N1464-D1469 HydrophobicContact CB-CB 4.36Å; N1464-D1469 PolarHBondContact O-N 3.38Å; R1467-D1469 VanDerWaalsContact C-N 3.29Å; R1467-D1469 IonicContact CZ-OD2 2.68Å; R1467-D1469 IonicContact NE-OD2 3.67Å; R1467-D1469 PolarHBondContact NE-OD2 3.07Å; R1467-D1469 IonicContact NH2-OD2 3.63Å; R1467-D1469 PolarHBondContact NH2-OD2 2.97Å; R1467-D1469 PolarHBondContact O-N 3.33Å |
| 1470 | L | 86.8 | Confident | 88.5 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 20% | 0.199 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -119.2 | 149.2 | 175.6 | -62.5 | 178.9 | 0 | 0 | 0 | 109.7 | Y1426 Y1428 T1461 N1464 L1465 G1468 | Y1426-L1470 HydrophobicContact CE1-CD1 4.14Å; Y1426-L1470 HydrophobicContact CE2-CB 4.34Å; Y1426-L1470 HydrophobicContact CE2-CD1 4.4Å; Y1428-L1470 HydrophobicContact CE1-CD1 4.28Å; T1461-L1470 HydrophobicContact CG2-CD1 4.19Å; N1464-L1470 HydrophobicContact CB-CD1 3.66Å; N1464-L1470 HydrophobicContact CB-CG 3.89Å; N1464-L1470 PolarHBondContact O-N 3.38Å; L1465-L1470 HydrophobicContact CD2-CB 3.6Å; L1465-L1470 HydrophobicContact CG-CB 3.95Å; G1468-L1470 PolarHBondContact O-N 3.31Å |
| 1471 | R | 87.1 | Confident | 88.5 | Confident | 150 Ų | 150 | 37.8 Ų | 37.8 | 57% | 0.566 | 22% | 0.221 | S | C | * | . | trans | -100.4 | 139.9 | 166.8 | -166.6 | -179.1 | -173.5 | 168.2 | 9.9 | 109.7 | Y1426 L1465 Y1485 | Y1426-R1471 VanDerWaalsContact CD2-O 3.31Å; Y1426-R1471 WeakPolarHBondContact CD2-O 3.47Å; Y1426-R1471 VanDerWaalsContact CE2-O 3.32Å; Y1426-R1471 WeakPolarHBondContact CE2-O 3.48Å; L1465-R1471 VanDerWaalsContact CD2-C 3.47Å; R1471-Y1485 HydrophobicContact CG-CD1 4.2Å; R1471-Y1485 HydrophobicContact CG-CE1 4.48Å; R1471-Y1485 PolarHBondContact NH2-OH 2.92Å | ||
| 1472 | A | 88.6 | Confident | 88.5 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | trans | -61.8 | 149.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1424 L1465 E1474 | V1424-A1472 HydrophobicContact CG1-CB 3.98Å; V1424-A1472 HydrophobicContact CG2-CB 4.34Å; L1465-A1472 HydrophobicContact CD2-CB 4.39Å; A1472-E1474 WeakPolarHBondContact CB-O 3.32Å | ||
| 1473 | T | 88.7 | Confident | 88.4 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -75.1 | -43.1 | 172.4 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | H1425 H1427 | H1425-T1473 PolarHBondContact O-N 2.89Å; H1427-T1473 PolarHBondContact CD2-OG1 3.32Å; H1427-T1473 PolarHBondContact N-OG1 3.22Å |
| 1474 | E | 89 | Confident | 88.3 | Confident | 122 Ų | 122 | 43.6 Ų | 43.6 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 156.5 | 171.3 | -59 | -174.6 | -171.1 | 0 | 0 | 108.9 | V1424 H1425 A1472 | V1424-E1474 WeakPolarHBondContact CA-O 3.4Å; H1425-E1474 HydrophobicContact CB-CB 4.17Å; H1425-E1474 PolarHBondContact N-O 3.25Å; H1425-E1474 PolarHBondContact O-N 3.07Å; A1472-E1474 WeakPolarHBondContact CB-O 3.32Å |
| 1475 | G | 89 | Confident | 88.2 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.9 | -173.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1422 N1423 | D1422-G1475 CarbonylContact O-C 3.6Å; D1422-G1475 WeakPolarHBondContact O-CA 3.49Å; N1423-G1475 VanDerWaalsContact O-CA 3.27Å; N1423-G1475 WeakPolarHBondContact O-CA 3.4Å |
| 1476 | A | 91 | Very high | 87.9 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 22% | 0.223 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1422 V1424 T1478 | D1422-A1476 PolarHBondContact N-O 3.16Å; D1422-A1476 PolarHBondContact O-N 2.85Å; V1424-A1476 WeakPolarHBondContact CG2-O 3.26Å; A1476-T1478 HydrophobicContact CB-CG2 4.49Å |
| 1477 | I | 92.7 | Very high | 87.5 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.3 | 165.8 | -53.3 | -172.4 | 0 | 0 | 0 | 107.9 | L1419 K1420 I1421 V1424 L1462 L1465 I1466 E1483 T1484 | L1419-I1477 HydrophobicContact CD1-CG2 3.77Å; K1420-I1477 CarbonylContact O-C 3.58Å; K1420-I1477 WeakPolarHBondContact O-CA 3.49Å; I1421-I1477 HydrophobicContact CB-CG1 4.4Å; I1421-I1477 HydrophobicContact CG1-CB 4.37Å; I1421-I1477 HydrophobicContact CG1-CD1 3.97Å; I1421-I1477 HydrophobicContact CG1-CG1 3.91Å; I1421-I1477 HydrophobicContact CG1-CG2 3.77Å; I1421-I1477 HydrophobicContact CG2-CD1 4.43Å; I1421-I1477 HydrophobicContact CG2-CG1 4.22Å; V1424-I1477 HydrophobicContact CG2-CD1 4.46Å; V1424-I1477 HydrophobicContact CG2-CG1 3.77Å; L1462-I1477 HydrophobicContact CD1-CD1 4.41Å; L1465-I1477 HydrophobicContact CB-CD1 3.54Å; I1466-I1477 HydrophobicContact CG1-CD1 4.11Å; I1477-E1483 VanDerWaalsContact O-CA 3.28Å; I1477-E1483 WeakPolarHBondContact O-CA 3.5Å; I1477-T1484 HydrophobicContact CB-CG2 4.36Å; I1477-T1484 HydrophobicContact CG2-CG2 3.75Å; I1477-T1484 PolarHBondContact O-N 2.99Å |
| 1478 | T | 91.8 | Very high | 87.1 | Confident | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.2 | -172.1 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | L1419 K1420 A1476 E1482 E1483 | L1419-T1478 WeakPolarHBondContact CA-O 3.32Å; K1420-T1478 PolarHBondContact N-O 3.44Å; K1420-T1478 PolarHBondContact O-N 3.41Å; K1420-T1478 PolarHBondContact O-OG1 3.06Å; A1476-T1478 HydrophobicContact CB-CG2 4.49Å; T1478-E1482 CarbonylContact C-O 3.5Å; T1478-E1482 WeakPolarHBondContact CA-O 3.19Å; T1478-E1483 HydrophobicContact CG2-CG 4.01Å |
| 1479 | L | 88.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 110.9 | 174.7 | -170.2 | 68 | 0 | 0 | 0 | 107.4 | I1413 L1417 L1419 G1481 E1482 F1487 I1491 Y1494 I1576 | I1413-L1479 HydrophobicContact CD1-CB 4.33Å; I1413-L1479 HydrophobicContact CD1-CD2 4.05Å; I1413-L1479 HydrophobicContact CD1-CG 3.96Å; I1413-L1479 WeakPolarHBondContact CD1-O 3.44Å; L1417-L1479 HydrophobicContact CB-CD1 4.02Å; L1417-L1479 HydrophobicContact CD1-CD1 4.35Å; L1417-L1479 HydrophobicContact CD1-CD2 4.36Å; L1417-L1479 HydrophobicContact CD2-CD1 4.45Å; L1417-L1479 HydrophobicContact CD2-CD2 4.38Å; L1417-L1479 HydrophobicContact CD2-CG 4.2Å; L1419-L1479 HydrophobicContact CB-CD1 4.49Å; L1419-L1479 HydrophobicContact CD1-CD1 4.45Å; L1479-G1481 PolarHBondContact O-N 2.87Å; L1479-E1482 PolarHBondContact N-O 2.81Å; L1479-E1482 PolarHBondContact O-N 3.22Å; L1479-E1482 VanDerWaalsContact O-N 3.08Å; L1479-F1487 HydrophobicContact CB-CE2 4.36Å; L1479-F1487 HydrophobicContact CB-CZ 4.39Å; L1479-F1487 HydrophobicContact CD2-CZ 4.27Å; L1479-I1491 HydrophobicContact CD2-CD1 4.33Å; L1479-Y1494 HydrophobicContact CD2-CG 4.34Å; L1479-I1576 HydrophobicContact CD1-CD1 3.75Å |
| 1480 | N | 86.6 | Confident | 86.6 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 27.1 | -168 | -76.9 | -2.9 | 0 | 0 | 0 | 115.2 | I1413 D1415 A1416 T1418 | I1413-N1480 HydrophobicContact CD1-CB 4.18Å; I1413-N1480 HydrophobicContact CG2-CB 4.35Å; D1415-N1480 PolarHBondContact O-ND2 3.48Å; A1416-N1480 PolarHBondContact O-ND2 3.3Å; A1416-N1480 PolarHBondContact O-OD1 3.29Å; T1418-N1480 PolarHBondContact N-OD1 3.33Å; T1418-N1480 PolarHBondContact O-N 2.91Å |
| 1481 | G | 83.3 | Confident | 86.6 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.3 | -13.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1479 | L1479-G1481 PolarHBondContact O-N 2.87Š|
| 1482 | E | 87.3 | Confident | 86.6 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 36% | 0.355 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136 | 174.6 | -76.3 | -62.6 | 165.1 | 0 | 0 | 111.9 | P1411 T1478 L1479 K1486 F1487 | P1411-E1482 HydrophobicContact CB-CB 4.36Å; P1411-E1482 HydrophobicContact CB-CG 4.08Å; P1411-E1482 HydrophobicContact CG-CB 4.39Å; P1411-E1482 HydrophobicContact CG-CG 4.3Å; T1478-E1482 CarbonylContact C-O 3.5Å; T1478-E1482 WeakPolarHBondContact CA-O 3.19Å; L1479-E1482 PolarHBondContact N-O 2.81Å; L1479-E1482 PolarHBondContact O-N 3.22Å; L1479-E1482 VanDerWaalsContact O-N 3.08Å; E1482-K1486 WeakPolarHBondContact OE2-CD 3.25Å; E1482-K1486 IonicContact OE2-NZ 2.69Å; E1482-K1486 PolarHBondContact OE2-NZ 3.15Å; E1482-F1487 HydrophobicContact CB-CE2 3.92Å; E1482-F1487 HydrophobicContact CB-CZ 3.94Å |
| 1483 | E | 87.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 131.7 | -175.4 | -70.4 | 176.5 | -94.5 | 0 | 0 | 112.2 | I1477 T1478 Y1485 K1486 | I1477-E1483 VanDerWaalsContact O-CA 3.28Å; I1477-E1483 WeakPolarHBondContact O-CA 3.5Å; T1478-E1483 HydrophobicContact CG2-CG 4.01Å; E1483-Y1485 VanDerWaalsContact C-N 3.26Å; E1483-Y1485 HydrophobicContact CB-CD1 3.9Å; E1483-Y1485 HydrophobicContact CB-CE1 3.81Å; E1483-Y1485 HydrophobicContact CG-CE1 4.42Å; E1483-Y1485 PolarHBondContact O-N 3.42Å; E1483-Y1485 VanDerWaalsContact O-N 3.13Å; E1483-Y1485 WeakPolarHBondContact OE2-CE1 3.17Å; E1483-K1486 HydrophobicContact CB-CD 4.38Å; E1483-K1486 HydrophobicContact CB-CG 4.25Å; E1483-K1486 WeakPolarHBondContact O-CB 3.25Å; E1483-K1486 PolarHBondContact O-N 3Å |
| 1484 | T | 88.6 | Confident | 86.5 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -57.9 | -33.4 | -170.2 | 50.1 | 0 | 0 | 0 | 0 | 114 | L1419 L1465 I1466 I1477 K1486 F1487 | L1419-T1484 HydrophobicContact CD1-CG2 4.2Å; L1465-T1484 PolarHBondContact O-OG1 3.25Å; L1465-T1484 VanDerWaalsContact O-OG1 3.06Å; I1466-T1484 WeakPolarHBondContact O-CB 3.46Å; I1466-T1484 WeakPolarHBondContact O-CG2 3.35Å; I1477-T1484 HydrophobicContact CB-CG2 4.36Å; I1477-T1484 HydrophobicContact CG2-CG2 3.75Å; I1477-T1484 PolarHBondContact O-N 2.99Å; T1484-K1486 PolarHBondContact O-N 3.5Å; T1484-F1487 WeakPolarHBondContact O-CD2 3.41Å; T1484-F1487 PolarHBondContact O-N 2.94Å |
| 1485 | Y | 85 | Confident | 86.6 | Confident | 78 Ų | 78 | 40.1 Ų | 40.1 | 31% | 0.306 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -66 | -22.3 | 178.4 | 84.2 | -96.7 | 0 | 0 | 0 | 113.7 | R1471 E1483 F1487 G1488 | R1471-Y1485 HydrophobicContact CG-CD1 4.2Å; R1471-Y1485 HydrophobicContact CG-CE1 4.48Å; R1471-Y1485 PolarHBondContact NH2-OH 2.92Å; E1483-Y1485 VanDerWaalsContact C-N 3.26Å; E1483-Y1485 HydrophobicContact CB-CD1 3.9Å; E1483-Y1485 HydrophobicContact CB-CE1 3.81Å; E1483-Y1485 HydrophobicContact CG-CE1 4.42Å; E1483-Y1485 PolarHBondContact O-N 3.42Å; E1483-Y1485 VanDerWaalsContact O-N 3.13Å; E1483-Y1485 WeakPolarHBondContact OE2-CE1 3.17Å; Y1485-F1487 PolarHBondContact O-N 3.24Å; Y1485-G1488 PolarHBondContact O-N 3.15Å |
| 1486 | K | 84.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 38.1 Ų | 38.1 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -70.5 | -19.9 | -179.2 | -62.9 | -178 | -174.5 | 177.3 | 0 | 113.3 | P1411 E1482 E1483 T1484 G1488 | P1411-K1486 HydrophobicContact CG-CB 4.38Å; E1482-K1486 WeakPolarHBondContact OE2-CD 3.25Å; E1482-K1486 IonicContact OE2-NZ 2.69Å; E1482-K1486 PolarHBondContact OE2-NZ 3.15Å; E1483-K1486 HydrophobicContact CB-CD 4.38Å; E1483-K1486 HydrophobicContact CB-CG 4.25Å; E1483-K1486 WeakPolarHBondContact O-CB 3.25Å; E1483-K1486 PolarHBondContact O-N 3Å; T1484-K1486 PolarHBondContact O-N 3.5Å; K1486-G1488 VanDerWaalsContact C-N 3.3Å |
| 1487 | F | 83.6 | Confident | 86.7 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -76.2 | -19.7 | -178.2 | -66.6 | -99 | 0 | 0 | 0 | 112.4 | T1410 P1411 I1413 L1479 E1482 T1484 Y1485 D1489 D1490 I1491 Y1494 | T1410-F1487 WeakPolarHBondContact CG2-O 3.25Å; P1411-F1487 HydrophobicContact CB-CD1 4.49Å; P1411-F1487 HydrophobicContact CB-CE1 3.83Å; P1411-F1487 HydrophobicContact CB-CZ 3.88Å; P1411-F1487 HydrophobicContact CG-CE1 4.24Å; P1411-F1487 HydrophobicContact CG-CE2 4.4Å; P1411-F1487 HydrophobicContact CG-CZ 4.15Å; P1411-F1487 VanDerWaalsContact O-CE1 3.25Å; P1411-F1487 WeakPolarHBondContact O-CE1 3.34Å; I1413-F1487 HydrophobicContact CD1-CE1 3.96Å; I1413-F1487 HydrophobicContact CD1-CZ 3.66Å; I1413-F1487 HydrophobicContact CG1-CE1 4.45Å; I1413-F1487 HydrophobicContact CG1-CZ 4.42Å; L1479-F1487 HydrophobicContact CB-CE2 4.36Å; L1479-F1487 HydrophobicContact CB-CZ 4.39Å; L1479-F1487 HydrophobicContact CD2-CZ 4.27Å; E1482-F1487 HydrophobicContact CB-CE2 3.92Å; E1482-F1487 HydrophobicContact CB-CZ 3.94Å; T1484-F1487 WeakPolarHBondContact O-CD2 3.41Å; T1484-F1487 PolarHBondContact O-N 2.94Å; Y1485-F1487 PolarHBondContact O-N 3.24Å; F1487-D1489 PolarHBondContact O-N 2.84Å; F1487-D1490 WeakPolarHBondContact O-CB 3.35Å; F1487-D1490 PolarHBondContact O-N 3.22Å; F1487-I1491 HydrophobicContact CB-CB 3.85Å; F1487-I1491 HydrophobicContact CB-CD1 3.89Å; F1487-I1491 HydrophobicContact CB-CG1 4.41Å; F1487-I1491 HydrophobicContact CD1-CD1 4.49Å; F1487-I1491 HydrophobicContact CD2-CD1 4.13Å; F1487-I1491 HydrophobicContact CG-CD1 3.93Å; F1487-Y1494 AromaticContact CD1-CD2 4Å; F1487-Y1494 HydrophobicContact CD1-CD2 4Å; F1487-Y1494 AromaticContact CD1-CE2 3.96Å; F1487-Y1494 HydrophobicContact CD1-CE2 3.96Å; F1487-Y1494 HydrophobicContact CE1-CD2 4.12Å; F1487-Y1494 AromaticContact CE1-CE2 3.91Å; F1487-Y1494 HydrophobicContact CE1-CE2 3.91Å |
| 1488 | G | 78.9 | Confident | 86.5 | Confident | 47 Ų | 47 | 37 Ų | 37 | 49% | 0.485 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | 53.7 | -136 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1485 K1486 D1490 I1491 | Y1485-G1488 PolarHBondContact O-N 3.15Å; K1486-G1488 VanDerWaalsContact C-N 3.3Å; G1488-D1490 PolarHBondContact O-N 3.26Å; G1488-I1491 VanDerWaalsContact O-CG2 3.23Å; G1488-I1491 WeakPolarHBondContact O-CG2 3.49Å; G1488-I1491 PolarHBondContact O-N 2.85Å |
| 1489 | D | 76.9 | Confident | 86.3 | Confident | 41 Ų | 41 | 38.8 Ų | 38.8 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -63.2 | -27.2 | 175 | -52.9 | -94.6 | 0 | 0 | 0 | 113 | S898 K899 F1487 I1491 S1492 | S898-D1489 PolarHBondContact OG-OD1 2.79Å; K899-D1489 WeakPolarHBondContact CE-OD2 3.32Å; K899-D1489 IonicContact NZ-OD2 3.07Å; K899-D1489 PolarHBondContact NZ-OD2 3.04Å; F1487-D1489 PolarHBondContact O-N 2.84Å; D1489-I1491 PolarHBondContact O-N 3.39Å; D1489-I1491 VanDerWaalsContact O-N 3.08Å; D1489-S1492 PolarHBondContact O-N 3.45Å; D1489-S1492 VanDerWaalsContact O-N 3.16Å; D1489-S1492 PolarHBondContact O-OG 2.87Å |
| 1490 | D | 82.7 | Confident | 85.9 | Confident | 71 Ų | 71 | 42 Ų | 42 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -69.8 | -6.8 | -177.2 | -64.6 | -27.1 | 0 | 0 | 0 | 113 | T1410 F1487 G1488 S1492 N1493 | T1410-D1490 WeakPolarHBondContact CB-OD2 3.29Å; T1410-D1490 HydrophobicContact CG2-CB 3.8Å; T1410-D1490 VanDerWaalsContact CG2-OD2 3.24Å; T1410-D1490 WeakPolarHBondContact CG2-OD2 3.49Å; T1410-D1490 PolarHBondContact OG1-OD2 3.09Å; F1487-D1490 WeakPolarHBondContact O-CB 3.35Å; F1487-D1490 PolarHBondContact O-N 3.22Å; G1488-D1490 PolarHBondContact O-N 3.26Å; D1490-S1492 PolarHBondContact O-N 3Å; D1490-N1493 WeakPolarHBondContact CA-ND2 3.21Å; D1490-N1493 WeakPolarHBondContact O-CB 3.39Å; D1490-N1493 PolarHBondContact O-N 3.1Å; D1490-N1493 VanDerWaalsContact O-N 3.11Å; D1490-N1493 PolarHBondContact O-ND2 3.16Å |
| 1491 | I | 87.1 | Confident | 85.5 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -58.9 | -26.8 | 169.7 | -162.3 | 63.7 | 0 | 0 | 0 | 111.6 | L1479 F1487 G1488 D1489 N1493 Y1494 L1495 | L1479-I1491 HydrophobicContact CD2-CD1 4.33Å; F1487-I1491 HydrophobicContact CB-CB 3.85Å; F1487-I1491 HydrophobicContact CB-CD1 3.89Å; F1487-I1491 HydrophobicContact CB-CG1 4.41Å; F1487-I1491 HydrophobicContact CD1-CD1 4.49Å; F1487-I1491 HydrophobicContact CD2-CD1 4.13Å; F1487-I1491 HydrophobicContact CG-CD1 3.93Å; G1488-I1491 VanDerWaalsContact O-CG2 3.23Å; G1488-I1491 WeakPolarHBondContact O-CG2 3.49Å; G1488-I1491 PolarHBondContact O-N 2.85Å; D1489-I1491 PolarHBondContact O-N 3.39Å; D1489-I1491 VanDerWaalsContact O-N 3.08Å; I1491-N1493 PolarHBondContact O-N 3.38Å; I1491-Y1494 PolarHBondContact O-N 3.34Å; I1491-L1495 PolarHBondContact O-N 2.68Å |
| 1492 | S | 86.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 41 Ų | 41 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -64.4 | -19.1 | 177 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | F894 F895 D1489 D1490 Y1494 Q1572 V1574 | F894-S1492 WeakPolarHBondContact O-CB 3.42Å; F895-S1492 PolarHBondContact O-OG 2.78Å; D1489-S1492 PolarHBondContact O-N 3.45Å; D1489-S1492 VanDerWaalsContact O-N 3.16Å; D1489-S1492 PolarHBondContact O-OG 2.87Å; D1490-S1492 PolarHBondContact O-N 3Å; S1492-Y1494 PolarHBondContact O-N 3.06Å; S1492-Q1572 PolarHBondContact O-NE2 2.9Å; S1492-V1574 WeakPolarHBondContact O-CG1 3.37Å |
| 1493 | N | 85.6 | Confident | 85.3 | Confident | 98 Ų | 98 | 38.6 Ų | 38.6 | 52% | 0.524 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -74.8 | -14.6 | 173 | -57.7 | -68.4 | 0 | 0 | 0 | 112.6 | D1490 I1491 | D1490-N1493 WeakPolarHBondContact CA-ND2 3.21Å; D1490-N1493 WeakPolarHBondContact O-CB 3.39Å; D1490-N1493 PolarHBondContact O-N 3.1Å; D1490-N1493 VanDerWaalsContact O-N 3.11Å; D1490-N1493 PolarHBondContact O-ND2 3.16Å; I1491-N1493 PolarHBondContact O-N 3.38Å |
| 1494 | Y | 88.8 | Confident | 85.4 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -29.6 | -175 | -62.8 | -63.2 | 0 | 0 | 0 | 113.2 | I1413 L1417 L1479 F1487 I1491 S1492 P1575 I1576 | I1413-Y1494 HydrophobicContact CB-CE1 4.39Å; I1413-Y1494 PolarHBondContact N-OH 3.01Å; I1413-Y1494 PolarHBondContact O-OH 2.9Å; I1413-Y1494 VanDerWaalsContact O-OH 3.12Å; L1417-Y1494 HydrophobicContact CD1-CD1 3.88Å; L1417-Y1494 HydrophobicContact CD1-CG 4.36Å; L1479-Y1494 HydrophobicContact CD2-CG 4.34Å; F1487-Y1494 AromaticContact CD1-CD2 4Å; F1487-Y1494 HydrophobicContact CD1-CD2 4Å; F1487-Y1494 AromaticContact CD1-CE2 3.96Å; F1487-Y1494 HydrophobicContact CD1-CE2 3.96Å; F1487-Y1494 HydrophobicContact CE1-CD2 4.12Å; F1487-Y1494 AromaticContact CE1-CE2 3.91Å; F1487-Y1494 HydrophobicContact CE1-CE2 3.91Å; I1491-Y1494 PolarHBondContact O-N 3.34Å; S1492-Y1494 PolarHBondContact O-N 3.06Å; Y1494-P1575 WeakPolarHBondContact O-CD 3.31Å; Y1494-P1575 WeakPolarHBondContact O-CG 3.3Å; Y1494-I1576 WeakPolarHBondContact O-CB 3.48Å; Y1494-I1576 PolarHBondContact O-N 3.37Å |
| 1495 | L | 90.4 | Very high | 85.2 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 113.2 | -177 | -171.6 | 160 | 0 | 0 | 0 | 110.8 | I1466 R1467 I1491 V1497 I1576 L1578 | I1466-L1495 HydrophobicContact CG2-CD1 3.73Å; R1467-L1495 HydrophobicContact CG-CD2 3.99Å; I1491-L1495 PolarHBondContact O-N 2.68Å; L1495-V1497 HydrophobicContact CD2-CG2 3.7Å; L1495-I1576 WeakPolarHBondContact CA-O 3.27Å; L1495-I1576 HydrophobicContact CB-CB 4.43Å; L1495-I1576 HydrophobicContact CD1-CG2 4.2Å; L1495-I1576 HydrophobicContact CG-CB 4.38Å; L1495-I1576 HydrophobicContact CG-CG2 4.15Å; L1495-L1578 HydrophobicContact CD2-CB 3.88Å; L1495-L1578 HydrophobicContact CD2-CD2 4.48Å |
| 1496 | G | 91 | Very high | 85 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 149.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1576 L1578 | G1496-I1576 PolarHBondContact N-O 3.23Å; G1496-L1578 PolarHBondContact O-N 2.76Å |
| 1497 | V | 91.5 | Very high | 84.9 | Confident | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.8 | -171 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | F894 R1467 L1495 L1578 | F894-V1497 HydrophobicContact CB-CB 3.95Å; F894-V1497 HydrophobicContact CB-CG2 4.06Å; F894-V1497 HydrophobicContact CD1-CB 4.38Å; F894-V1497 HydrophobicContact CD1-CG1 4.47Å; F894-V1497 HydrophobicContact CD1-CG2 4.18Å; F894-V1497 HydrophobicContact CD2-CB 4.03Å; F894-V1497 HydrophobicContact CD2-CG1 3.99Å; F894-V1497 HydrophobicContact CE2-CG1 4.2Å; F894-V1497 HydrophobicContact CG-CB 3.86Å; F894-V1497 HydrophobicContact CG-CG1 4.15Å; F894-V1497 HydrophobicContact CG-CG2 4.05Å; R1467-V1497 HydrophobicContact CG-CG2 4.37Å; L1495-V1497 HydrophobicContact CD2-CG2 3.7Å; V1497-L1578 WeakPolarHBondContact CA-O 3.49Å; V1497-L1578 HydrophobicContact CG1-CD2 4.19Å |
| 1498 | I | 89.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.1 | 166.1 | -56 | -171.3 | 0 | 0 | 0 | 108.2 | A1565 L1566 I1569 L1578 L1579 D1580 P1582 F1598 | I1498-A1565 HydrophobicContact CG2-CB 4.28Å; I1498-L1566 HydrophobicContact CD1-CB 4.27Å; I1498-L1566 HydrophobicContact CD1-CD1 4.07Å; I1498-I1569 HydrophobicContact CD1-CB 4.46Å; I1498-I1569 HydrophobicContact CD1-CG1 3.92Å; I1498-I1569 HydrophobicContact CG1-CD1 4.41Å; I1498-I1569 HydrophobicContact CG1-CG1 3.58Å; I1498-L1578 PolarHBondContact N-O 2.84Å; I1498-L1579 HydrophobicContact CB-CD2 3.81Å; I1498-L1579 HydrophobicContact CD1-CD2 3.75Å; I1498-L1579 HydrophobicContact CG1-CD2 3.92Å; I1498-D1580 PolarHBondContact O-N 3.38Å; I1498-P1582 HydrophobicContact CG2-CB 4.14Å; I1498-F1598 HydrophobicContact CD1-CD1 4.27Å; I1498-F1598 HydrophobicContact CD1-CE1 3.48Å; I1498-F1598 VanDerWaalsContact CD1-CE1 3.48Å; I1498-F1598 HydrophobicContact CD1-CZ 4.19Å; I1498-F1598 HydrophobicContact CG2-CZ 4.35Å |
| 1499 | H | 86.4 | Confident | 85.7 | Confident | 60 Ų | 60 | 33.8 Ų | 33.8 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | trans | -89.1 | 152.7 | -179.2 | -172.9 | -116.9 | 0 | 0 | 0 | 111.3 | F894 T1501 Q1562 | F894-H1499 HydrophobicContact CE2-CB 4.05Å; H1499-T1501 PolarHBondContact CE1-OG1 2.98Å; H1499-T1501 PolarHBondContact ND1-N 2.94Å; H1499-T1501 PolarHBondContact ND1-O 3.32Å; H1499-T1501 PolarHBondContact ND1-OG1 3.43Å; H1499-T1501 PolarHBondContact O-N 3.23Å; H1499-Q1562 PolarHBondContact O-NE2 3.38Å | ||
| 1500 | Q | 80.6 | Confident | 86.4 | Confident | 73 Ų | 73 | 31.9 Ų | 31.9 | 34% | 0.341 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -50.2 | -42.7 | 176.8 | -176.6 | 178.7 | 72.8 | 0 | 0 | 112.5 | Q1562 D1580 E1581 V1584 | Q1500-Q1562 PolarHBondContact O-NE2 2.95Å; Q1500-D1580 WeakPolarHBondContact CA-O 3.24Å; Q1500-D1580 PolarHBondContact N-O 3.11Å; Q1500-E1581 PolarHBondContact NE2-OE2 3.42Å; Q1500-V1584 HydrophobicContact CG-CB 4.16Å |
| 1501 | T | 78.2 | Confident | 86.7 | Confident | 86 Ų | 86 | 31.9 Ų | 31.9 | 53% | 0.528 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -119.6 | 95.1 | 173.9 | 59.6 | 0 | 0 | 0 | 0 | 110.5 | H1499 | H1499-T1501 PolarHBondContact CE1-OG1 2.98Å; H1499-T1501 PolarHBondContact ND1-N 2.94Å; H1499-T1501 PolarHBondContact ND1-O 3.32Å; H1499-T1501 PolarHBondContact ND1-OG1 3.43Å; H1499-T1501 PolarHBondContact O-N 3.23Å |
| 1502 | P | 81.8 | Confident | 86.9 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | trans | -77.1 | 130.9 | 177.9 | 28.9 | -32.3 | 0 | 0 | 0 | 111.2 | R1561 A1565 | P1502-R1561 HydrophobicContact CG-CB 4.24Å; P1502-A1565 HydrophobicContact CB-CB 3.64Å; P1502-A1565 HydrophobicContact CG-CB 3.96Å | ||
| 1503 | Y | 86.2 | Confident | 87.1 | Confident | 26 Ų | 26 | 30.9 Ų | 30.9 | 10% | 0.102 | 16% | 0.159 | C | C | . | . | trans | -82.4 | 135.9 | 180 | -164.2 | -98.8 | 0 | 0 | 0 | 111.6 | D884 R887 F1505 A1552 R1568 | D884-Y1503 VanDerWaalsContact OD1-CE1 3.28Å; D884-Y1503 WeakPolarHBondContact OD1-CE1 3.37Å; D884-Y1503 PolarHBondContact OD1-OH 3.36Å; R887-Y1503 HydrophobicContact CB-CD2 4.39Å; R887-Y1503 HydrophobicContact CB-CE1 4.47Å; R887-Y1503 HydrophobicContact CB-CE2 3.58Å; Y1503-F1505 AromaticContact CD1-CD1 3.98Å; Y1503-F1505 HydrophobicContact CD1-CD1 3.98Å; Y1503-F1505 HydrophobicContact CD1-CD2 4.04Å; Y1503-F1505 AromaticContact CD1-CE1 3.93Å; Y1503-F1505 HydrophobicContact CD1-CE1 3.93Å; Y1503-F1505 AromaticContact CD1-CE2 3.97Å; Y1503-F1505 HydrophobicContact CD1-CE2 3.97Å; Y1503-F1505 HydrophobicContact CD1-CG 4.03Å; Y1503-F1505 AromaticContact CD1-CZ 3.91Å; Y1503-F1505 HydrophobicContact CD1-CZ 3.91Å; Y1503-F1505 AromaticContact CE1-CD1 3.85Å; Y1503-F1505 HydrophobicContact CE1-CD1 3.85Å; Y1503-F1505 HydrophobicContact CE1-CE1 4.11Å; Y1503-F1505 HydrophobicContact CE1-CG 4.1Å; Y1503-A1552 HydrophobicContact CD2-CB 4.32Å; Y1503-A1552 HydrophobicContact CE2-CB 3.67Å; Y1503-R1568 PolarHBondContact O-NH1 3.34Å; Y1503-R1568 PolarHBondContact O-NH2 3.33Å | ||
| 1504 | L | 87.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | -111.9 | 128 | 167.3 | -56.1 | -174.9 | 0 | 0 | 0 | 108.8 | N1512 V1549 A1552 F1556 R1561 L1564 | L1504-N1512 WeakPolarHBondContact CA-OD1 3.5Å; L1504-V1549 HydrophobicContact CB-CG1 3.85Å; L1504-V1549 HydrophobicContact CD1-CG1 4.14Å; L1504-A1552 WeakPolarHBondContact O-CA 3.35Å; L1504-F1556 HydrophobicContact CD1-CD2 3.91Å; L1504-F1556 HydrophobicContact CD1-CE2 4.4Å; L1504-F1556 HydrophobicContact CD1-CG 4.45Å; L1504-R1561 HydrophobicContact CD1-CG 3.93Å; L1504-R1561 HydrophobicContact CG-CG 4.49Å; L1504-L1564 HydrophobicContact CD1-CD1 3.61Å; L1504-L1564 HydrophobicContact CD2-CB 4.28Å; L1504-L1564 HydrophobicContact CD2-CD1 4.25Å | ||
| 1505 | F | 84.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -82.5 | 155.3 | -176.1 | -64 | -95 | 0 | 0 | 0 | 110.8 | D884 G888 T891 L892 Y1503 T1507 N1512 I1515 | D884-F1505 WeakPolarHBondContact OD2-CA 3.43Å; D884-F1505 WeakPolarHBondContact OD2-CB 3.4Å; G888-F1505 WeakPolarHBondContact O-CZ 3.34Å; T891-F1505 HydrophobicContact CG2-CE2 4Å; T891-F1505 HydrophobicContact CG2-CZ 4.47Å; L892-F1505 HydrophobicContact CD1-CE1 4.21Å; L892-F1505 HydrophobicContact CD1-CZ 4.37Å; L892-F1505 HydrophobicContact CD2-CE1 3.93Å; L892-F1505 HydrophobicContact CD2-CE2 4.15Å; L892-F1505 HydrophobicContact CD2-CZ 3.5Å; L892-F1505 VanDerWaalsContact CD2-CZ 3.5Å; L892-F1505 HydrophobicContact CG-CE1 4.01Å; L892-F1505 HydrophobicContact CG-CZ 3.66Å; Y1503-F1505 AromaticContact CD1-CD1 3.98Å; Y1503-F1505 HydrophobicContact CD1-CD1 3.98Å; Y1503-F1505 HydrophobicContact CD1-CD2 4.04Å; Y1503-F1505 AromaticContact CD1-CE1 3.93Å; Y1503-F1505 HydrophobicContact CD1-CE1 3.93Å; Y1503-F1505 AromaticContact CD1-CE2 3.97Å; Y1503-F1505 HydrophobicContact CD1-CE2 3.97Å; Y1503-F1505 HydrophobicContact CD1-CG 4.03Å; Y1503-F1505 AromaticContact CD1-CZ 3.91Å; Y1503-F1505 HydrophobicContact CD1-CZ 3.91Å; Y1503-F1505 AromaticContact CE1-CD1 3.85Å; Y1503-F1505 HydrophobicContact CE1-CD1 3.85Å; Y1503-F1505 HydrophobicContact CE1-CE1 4.11Å; Y1503-F1505 HydrophobicContact CE1-CG 4.1Å; F1505-T1507 HydrophobicContact CB-CG2 4.1Å; F1505-T1507 PolarHBondContact O-N 3.29Å; F1505-N1512 PolarHBondContact N-OD1 3.14Å; F1505-N1512 PolarHBondContact O-ND2 3.29Å; F1505-I1515 HydrophobicContact CD2-CD1 3.37Å; F1505-I1515 HydrophobicContact CE2-CD1 3.55Å; F1505-I1515 HydrophobicContact CG-CD1 4.32Å | ||
| 1506 | H | 81.8 | Confident | 87.3 | Confident | 100 Ų | 100 | 27.7 Ų | 27.7 | 46% | 0.463 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -76.2 | 69.1 | 178.2 | -171.3 | 54.6 | 0 | 0 | 0 | 111.6 | D884 M1548 V1549 | D884-H1506 PolarHBondContact OD2-N 2.85Å; H1506-M1548 WeakPolarHBondContact O-CE 3.37Å; H1506-V1549 PolarHBondContact ND1-O 2.91Å |
| 1507 | T | 81.7 | Confident | 87.2 | Confident | 32 Ų | 32 | 31 Ų | 31 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -150.3 | -177.1 | -179.6 | -165.5 | 0 | 0 | 0 | 0 | 109.3 | F1505 N1511 N1512 V1549 | F1505-T1507 HydrophobicContact CB-CG2 4.1Å; F1505-T1507 PolarHBondContact O-N 3.29Å; T1507-N1511 HydrophobicContact CG2-CB 3.62Å; T1507-N1511 PolarHBondContact OG1-ND2 3.47Å; T1507-N1512 WeakPolarHBondContact CG2-ND2 3.16Å; T1507-N1512 PolarHBondContact O-ND2 3.37Å; T1507-V1549 WeakPolarHBondContact O-CB 3.42Å; T1507-V1549 WeakPolarHBondContact O-CG2 3.32Å; T1507-V1549 PolarHBondContact O-N 2.84Å |
| 1508 | T | 89 | Confident | 86.8 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -63.7 | 160.2 | -178.9 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | A1510 N1511 N1512 L1546 T1547 M1548 | T1508-A1510 VanDerWaalsContact C-N 3.25Å; T1508-A1510 PolarHBondContact O-N 3.1Å; T1508-N1511 PolarHBondContact O-N 3.2Å; T1508-N1511 WeakPolarHBondContact OG1-CB 3.27Å; T1508-N1511 PolarHBondContact OG1-N 3.39Å; T1508-N1511 PolarHBondContact OG1-ND2 3.02Å; T1508-N1511 PolarHBondContact OG1-OD1 3.4Å; T1508-N1512 WeakPolarHBondContact O-CB 3.41Å; T1508-N1512 PolarHBondContact O-N 2.99Å; T1508-N1512 PolarHBondContact O-ND2 3.34Å; T1508-N1512 VanDerWaalsContact O-ND2 3.12Å; T1508-L1546 WeakPolarHBondContact CG2-O 3.37Å; T1508-T1547 WeakPolarHBondContact CA-O 3.35Å; T1508-M1548 HydrophobicContact CG2-SD 4.21Å |
| 1509 | I | 91.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | 171 | -66.2 | 168 | 0 | 0 | 0 | 110.3 | N1511 N1512 L1513 V1538 L1541 L1545 T1547 V1549 F1556 | I1509-N1511 PolarHBondContact O-N 2.96Å; I1509-N1512 WeakPolarHBondContact O-CB 3.48Å; I1509-N1512 PolarHBondContact O-N 3.21Å; I1509-L1513 HydrophobicContact CG2-CD1 4.16Å; I1509-L1513 WeakPolarHBondContact O-CG 3.45Å; I1509-L1513 PolarHBondContact O-N 3.15Å; I1509-V1538 HydrophobicContact CD1-CG1 4.15Å; I1509-V1538 HydrophobicContact CD1-CG2 4.36Å; I1509-V1538 HydrophobicContact CG2-CG1 4.41Å; I1509-V1538 HydrophobicContact CG2-CG2 4.43Å; I1509-L1541 HydrophobicContact CD1-CD1 3.33Å; I1509-L1545 HydrophobicContact CG2-CD2 4.23Å; I1509-L1545 PolarHBondContact N-O 2.87Å; I1509-T1547 PolarHBondContact N-O 3.42Å; I1509-T1547 VanDerWaalsContact N-O 3.13Å; I1509-V1549 HydrophobicContact CG1-CG2 3.76Å; I1509-F1556 HydrophobicContact CD1-CZ 3.93Å; I1509-F1556 HydrophobicContact CG1-CZ 4.21Å |
| 1510 | A | 92.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1508 N1512 L1513 R1514 L1525 L1545 | T1508-A1510 VanDerWaalsContact C-N 3.25Å; T1508-A1510 PolarHBondContact O-N 3.1Å; A1510-N1512 VanDerWaalsContact C-N 3.32Å; A1510-N1512 PolarHBondContact O-N 3.5Å; A1510-L1513 PolarHBondContact O-N 3.26Å; A1510-L1513 VanDerWaalsContact O-N 3.17Å; A1510-R1514 WeakPolarHBondContact O-CG 3.17Å; A1510-R1514 PolarHBondContact O-N 3.38Å; A1510-L1525 HydrophobicContact CB-CD1 3.73Å; A1510-L1545 HydrophobicContact CB-CB 4.21Å; A1510-L1545 HydrophobicContact CB-CD2 4.34Å; A1510-L1545 PolarHBondContact N-O 2.92Å |
| 1511 | N | 88.4 | Confident | 87.3 | Confident | 72 Ų | 72 | 37.5 Ų | 37.5 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.6 | -36.7 | 178.1 | -67.7 | -5.5 | 0 | 0 | 0 | 111.3 | T1507 T1508 I1509 L1513 R1514 I1515 | T1507-N1511 HydrophobicContact CG2-CB 3.62Å; T1507-N1511 PolarHBondContact OG1-ND2 3.47Å; T1508-N1511 PolarHBondContact O-N 3.2Å; T1508-N1511 WeakPolarHBondContact OG1-CB 3.27Å; T1508-N1511 PolarHBondContact OG1-N 3.39Å; T1508-N1511 PolarHBondContact OG1-ND2 3.02Å; T1508-N1511 PolarHBondContact OG1-OD1 3.4Å; I1509-N1511 PolarHBondContact O-N 2.96Å; N1511-L1513 VanDerWaalsContact C-N 3.27Å; N1511-L1513 PolarHBondContact O-N 2.75Å; N1511-R1514 PolarHBondContact O-N 2.99Å; N1511-I1515 PolarHBondContact O-N 2.81Å |
| 1512 | N | 90 | Very high | 87.9 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -31.1 | 173.3 | -94 | -75.9 | 0 | 0 | 0 | 113.2 | L1504 F1505 T1507 T1508 I1509 A1510 R1568 | L1504-N1512 WeakPolarHBondContact CA-OD1 3.5Å; F1505-N1512 PolarHBondContact N-OD1 3.14Å; F1505-N1512 PolarHBondContact O-ND2 3.29Å; T1507-N1512 WeakPolarHBondContact CG2-ND2 3.16Å; T1507-N1512 PolarHBondContact O-ND2 3.37Å; T1508-N1512 WeakPolarHBondContact O-CB 3.41Å; T1508-N1512 PolarHBondContact O-N 2.99Å; T1508-N1512 PolarHBondContact O-ND2 3.34Å; T1508-N1512 VanDerWaalsContact O-ND2 3.12Å; I1509-N1512 WeakPolarHBondContact O-CB 3.48Å; I1509-N1512 PolarHBondContact O-N 3.21Å; A1510-N1512 VanDerWaalsContact C-N 3.32Å; A1510-N1512 PolarHBondContact O-N 3.5Å; N1512-R1568 PolarHBondContact O-NE 3.43Å; N1512-R1568 PolarHBondContact O-NH2 2.84Å; N1512-R1568 PolarHBondContact OD1-NH2 3.49Å |
| 1513 | L | 93.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -80.9 | -40.8 | 174.8 | -68.6 | 170.4 | 0 | 0 | 0 | 112.3 | I1509 A1510 N1511 I1515 G1516 L1525 L1529 L1545 L1564 A1567 L1571 | I1509-L1513 HydrophobicContact CG2-CD1 4.16Å; I1509-L1513 WeakPolarHBondContact O-CG 3.45Å; I1509-L1513 PolarHBondContact O-N 3.15Å; A1510-L1513 PolarHBondContact O-N 3.26Å; A1510-L1513 VanDerWaalsContact O-N 3.17Å; N1511-L1513 VanDerWaalsContact C-N 3.27Å; N1511-L1513 PolarHBondContact O-N 2.75Å; L1513-I1515 PolarHBondContact O-N 3.11Å; L1513-G1516 PolarHBondContact O-N 2.81Å; L1513-L1525 HydrophobicContact CB-CD2 3.75Å; L1513-L1525 HydrophobicContact CD1-CB 4.22Å; L1513-L1525 HydrophobicContact CD1-CD2 4.33Å; L1513-L1529 HydrophobicContact CD1-CD1 3.88Å; L1513-L1529 HydrophobicContact CD1-CD2 4.06Å; L1513-L1529 HydrophobicContact CD1-CG 3.83Å; L1513-L1545 HydrophobicContact CD1-CD2 4.21Å; L1513-L1564 HydrophobicContact CD2-CD2 3.97Å; L1513-A1567 HydrophobicContact CD2-CB 3.56Å; L1513-L1571 HydrophobicContact CB-CD1 4.14Å; L1513-L1571 WeakPolarHBondContact O-CD1 3.37Å |
| 1514 | R | 91.6 | Very high | 88.7 | Confident | 59 Ų | 59 | 41.6 Ų | 41.6 | 22% | 0.223 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -16.2 | 177.4 | -79.9 | -179.7 | 172.3 | 110.5 | 13.7 | 114.4 | A1510 N1511 G1516 N1517 E1518 A1520 D1522 L1525 | A1510-R1514 WeakPolarHBondContact O-CG 3.17Å; A1510-R1514 PolarHBondContact O-N 3.38Å; N1511-R1514 PolarHBondContact O-N 2.99Å; R1514-G1516 PolarHBondContact O-N 3.08Å; R1514-N1517 CarbonylContact O-C 3.58Å; R1514-N1517 PolarHBondContact O-N 3.12Å; R1514-E1518 WeakPolarHBondContact O-CA 3.22Å; R1514-E1518 PolarHBondContact O-N 3.34Å; R1514-E1518 VanDerWaalsContact O-N 3.08Å; R1514-A1520 VanDerWaalsContact CZ-O 3.26Å; R1514-A1520 PolarHBondContact NE-O 3.37Å; R1514-A1520 PolarHBondContact NH2-O 3.26Å; R1514-D1522 IonicContact CZ-OD1 2.81Å; R1514-D1522 IonicContact NH1-OD1 3.57Å; R1514-D1522 PolarHBondContact NH1-OD1 2.83Å; R1514-D1522 VanDerWaalsContact NH1-OD1 3.11Å; R1514-D1522 IonicContact NH2-OD1 3.9Å; R1514-D1522 PolarHBondContact NH2-OD1 2.99Å; R1514-L1525 HydrophobicContact CG-CD1 4.32Å; R1514-L1525 HydrophobicContact CG-CD2 4.33Å |
| 1515 | I | 88.1 | Confident | 89 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.8 | 166 | -72.7 | 169.2 | 0 | 0 | 0 | 112.6 | F895 I897 F1505 N1511 L1513 | F895-I1515 HydrophobicContact CB-CG2 4.17Å; F895-I1515 WeakPolarHBondContact CB-O 3.31Å; F895-I1515 WeakPolarHBondContact CD1-O 3.22Å; F895-I1515 HydrophobicContact CD2-CG2 3.48Å; F895-I1515 VanDerWaalsContact CD2-CG2 3.48Å; F895-I1515 HydrophobicContact CE2-CG2 4.07Å; F895-I1515 HydrophobicContact CG-CG2 3.79Å; F895-I1515 WeakPolarHBondContact CG-O 3.49Å; I897-I1515 HydrophobicContact CD1-CB 4.22Å; I897-I1515 HydrophobicContact CD1-CG1 4.02Å; I897-I1515 HydrophobicContact CD1-CG2 3.92Å; F1505-I1515 HydrophobicContact CD2-CD1 3.37Å; F1505-I1515 HydrophobicContact CE2-CD1 3.55Å; F1505-I1515 HydrophobicContact CG-CD1 4.32Å; N1511-I1515 PolarHBondContact O-N 2.81Å; L1513-I1515 PolarHBondContact O-N 3.11Å |
| 1516 | G | 87.3 | Confident | 89.5 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -28.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1513 R1514 R1568 Q1572 | L1513-G1516 PolarHBondContact O-N 2.81Å; R1514-G1516 PolarHBondContact O-N 3.08Å; G1516-R1568 WeakPolarHBondContact CA-O 3.27Å; G1516-Q1572 WeakPolarHBondContact O-CA 3.14Å |
| 1517 | N | 88.9 | Confident | 90 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | trans | -167.6 | 107.7 | 178.7 | -176.1 | -23.9 | 0 | 0 | 0 | 108.9 | R1514 A1519 A1520 L1571 | R1514-N1517 CarbonylContact O-C 3.58Å; R1514-N1517 PolarHBondContact O-N 3.12Å; N1517-A1519 PolarHBondContact O-N 3.25Å; N1517-A1519 PolarHBondContact OD1-N 3.33Å; N1517-A1519 VanDerWaalsContact OD1-N 3.16Å; N1517-A1520 HydrophobicContact CB-CB 4.41Å; N1517-A1520 WeakPolarHBondContact O-CB 3.49Å; N1517-A1520 PolarHBondContact O-N 2.9Å; N1517-L1571 HydrophobicContact CB-CB 3.98Å; N1517-L1571 WeakPolarHBondContact CB-O 3.48Å; N1517-L1571 PolarHBondContact ND2-O 3.46Å | ||
| 1518 | E | 83.6 | Confident | 90.5 | Very high | 111 Ų | 111 | 45.1 Ų | 45.1 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.1 | -173.4 | -63.7 | -167.4 | 145.6 | 0 | 0 | 112.6 | R1514 A1520 | R1514-E1518 WeakPolarHBondContact O-CA 3.22Å; R1514-E1518 PolarHBondContact O-N 3.34Å; R1514-E1518 VanDerWaalsContact O-N 3.08Å; E1518-A1520 VanDerWaalsContact C-N 3.3Å; E1518-A1520 PolarHBondContact O-N 2.73Å |
| 1519 | A | 86 | Confident | 90.8 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 72% | 0.719 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1517 T1521 | N1517-A1519 PolarHBondContact O-N 3.25Å; N1517-A1519 PolarHBondContact OD1-N 3.33Å; N1517-A1519 VanDerWaalsContact OD1-N 3.16Å; A1519-T1521 PolarHBondContact O-N 2.96Å |
| 1520 | A | 89.2 | Confident | 90.8 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | trans | -64.1 | 122.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1514 N1517 E1518 A1524 L1525 L1571 | R1514-A1520 VanDerWaalsContact CZ-O 3.26Å; R1514-A1520 PolarHBondContact NE-O 3.37Å; R1514-A1520 PolarHBondContact NH2-O 3.26Å; N1517-A1520 HydrophobicContact CB-CB 4.41Å; N1517-A1520 WeakPolarHBondContact O-CB 3.49Å; N1517-A1520 PolarHBondContact O-N 2.9Å; E1518-A1520 VanDerWaalsContact C-N 3.3Å; E1518-A1520 PolarHBondContact O-N 2.73Å; A1520-A1524 HydrophobicContact CB-CB 4.34Å; A1520-L1525 HydrophobicContact CB-CD2 3.8Å; A1520-L1571 HydrophobicContact CB-CD1 4.49Å; A1520-L1571 HydrophobicContact CB-CD2 4.02Å | ||
| 1521 | T | 91.8 | Very high | 90.7 | Very high | 74 Ų | 74 | 51.9 Ų | 51.9 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | trans | -71.6 | 160.8 | 174.2 | 79.8 | 0 | 0 | 0 | 0 | 111.1 | A1519 E1523 A1524 L1525 | A1519-T1521 PolarHBondContact O-N 2.96Å; T1521-E1523 WeakPolarHBondContact CB-OE2 3.38Å; T1521-E1523 PolarHBondContact O-N 3.48Å; T1521-E1523 PolarHBondContact OG1-N 3.49Å; T1521-E1523 PolarHBondContact OG1-OE2 2.86Å; T1521-A1524 WeakPolarHBondContact O-CA 3.46Å; T1521-A1524 WeakPolarHBondContact O-CB 3.49Å; T1521-A1524 PolarHBondContact O-N 3.07Å; T1521-A1524 PolarHBondContact OG1-N 3.46Å; T1521-L1525 WeakPolarHBondContact O-CG 3.27Å; T1521-L1525 PolarHBondContact O-N 3.48Å | ||
| 1522 | D | 90.8 | Very high | 90.8 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.342 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60 | -28.8 | 179.4 | -82.2 | 14.2 | 0 | 0 | 0 | 112.2 | R1514 L1525 W1526 L1545 | R1514-D1522 IonicContact CZ-OD1 2.81Å; R1514-D1522 IonicContact NH1-OD1 3.57Å; R1514-D1522 PolarHBondContact NH1-OD1 2.83Å; R1514-D1522 VanDerWaalsContact NH1-OD1 3.11Å; R1514-D1522 IonicContact NH2-OD1 3.9Å; R1514-D1522 PolarHBondContact NH2-OD1 2.99Å; D1522-L1525 PolarHBondContact O-N 2.82Å; D1522-W1526 PolarHBondContact O-N 3.06Å; D1522-L1545 HydrophobicContact CB-CD1 4.11Å |
| 1523 | E | 92.5 | Very high | 90.7 | Very high | 119 Ų | 119 | 54.1 Ų | 54.1 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 171.4 | -58.6 | 72.4 | -157.8 | 0 | 0 | 112.1 | T1521 L1525 W1526 Q1527 | T1521-E1523 WeakPolarHBondContact CB-OE2 3.38Å; T1521-E1523 PolarHBondContact O-N 3.48Å; T1521-E1523 PolarHBondContact OG1-N 3.49Å; T1521-E1523 PolarHBondContact OG1-OE2 2.86Å; E1523-L1525 VanDerWaalsContact C-N 3.34Å; E1523-W1526 PolarHBondContact O-N 3.46Å; E1523-Q1527 WeakPolarHBondContact O-CB 3.38Å; E1523-Q1527 VanDerWaalsContact O-CG 3.25Å; E1523-Q1527 WeakPolarHBondContact O-CG 3.16Å; E1523-Q1527 PolarHBondContact O-N 2.88Å |
| 1524 | A | 92.2 | Very high | 90.6 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 24% | 0.24 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1520 T1521 Q1527 V1528 L1571 | A1520-A1524 HydrophobicContact CB-CB 4.34Å; T1521-A1524 WeakPolarHBondContact O-CA 3.46Å; T1521-A1524 WeakPolarHBondContact O-CB 3.49Å; T1521-A1524 PolarHBondContact O-N 3.07Å; T1521-A1524 PolarHBondContact OG1-N 3.46Å; A1524-Q1527 PolarHBondContact O-N 3.27Å; A1524-V1528 PolarHBondContact O-N 3.41Å; A1524-L1571 HydrophobicContact CB-CD2 4.48Å |
| 1525 | L | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 173.6 | -58.1 | -170.8 | 0 | 0 | 0 | 111.7 | A1510 L1513 R1514 A1520 T1521 D1522 E1523 V1528 L1529 L1545 L1571 | A1510-L1525 HydrophobicContact CB-CD1 3.73Å; L1513-L1525 HydrophobicContact CB-CD2 3.75Å; L1513-L1525 HydrophobicContact CD1-CB 4.22Å; L1513-L1525 HydrophobicContact CD1-CD2 4.33Å; R1514-L1525 HydrophobicContact CG-CD1 4.32Å; R1514-L1525 HydrophobicContact CG-CD2 4.33Å; A1520-L1525 HydrophobicContact CB-CD2 3.8Å; T1521-L1525 WeakPolarHBondContact O-CG 3.27Å; T1521-L1525 PolarHBondContact O-N 3.48Å; D1522-L1525 PolarHBondContact O-N 2.82Å; E1523-L1525 VanDerWaalsContact C-N 3.34Å; L1525-V1528 WeakPolarHBondContact O-CG1 3.31Å; L1525-L1529 WeakPolarHBondContact O-CB 3.25Å; L1525-L1529 VanDerWaalsContact O-CG 3.26Å; L1525-L1529 WeakPolarHBondContact O-CG 3.48Å; L1525-L1529 PolarHBondContact O-N 3.38Å; L1525-L1545 HydrophobicContact CB-CD1 4.12Å; L1525-L1545 HydrophobicContact CB-CD2 4.18Å; L1525-L1545 HydrophobicContact CD1-CD1 4.35Å; L1525-L1545 HydrophobicContact CD1-CD2 4.38Å; L1525-L1571 HydrophobicContact CD2-CD1 3.74Å |
| 1526 | W | 95.6 | Very high | 90.7 | Very high | 68 Ų | 68 | 62 Ų | 62 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68 | -34.3 | 175.3 | -77.6 | 121.5 | 0 | 0 | 0 | 113.6 | D1522 E1523 L1529 A1530 K1535 V1538 E1539 L1545 | D1522-W1526 PolarHBondContact O-N 3.06Å; E1523-W1526 PolarHBondContact O-N 3.46Å; W1526-L1529 HydrophobicContact CE3-CD1 3.99Å; W1526-L1529 HydrophobicContact CZ3-CD1 4.16Å; W1526-A1530 PolarHBondContact O-N 3.1Å; W1526-A1530 VanDerWaalsContact O-N 3.11Å; W1526-K1535 HydrophobicContact CE3-CD 4.46Å; W1526-K1535 HydrophobicContact CE3-CG 4.01Å; W1526-K1535 HydrophobicContact CZ3-CG 4.15Å; W1526-V1538 HydrophobicContact CH2-CB 4.23Å; W1526-V1538 HydrophobicContact CH2-CG1 3.76Å; W1526-V1538 HydrophobicContact CZ3-CB 3.99Å; W1526-V1538 HydrophobicContact CZ3-CG1 3.92Å; W1526-E1539 HydrophobicContact CE3-CG 4.48Å; W1526-E1539 HydrophobicContact CH2-CB 4.5Å; W1526-E1539 HydrophobicContact CH2-CG 3.59Å; W1526-E1539 HydrophobicContact CZ3-CG 3.58Å; W1526-L1545 HydrophobicContact CD2-CD1 4.22Å; W1526-L1545 HydrophobicContact CD2-CG 4.37Å; W1526-L1545 HydrophobicContact CG-CD1 4.32Å; W1526-L1545 HydrophobicContact CH2-CG 4.34Å; W1526-L1545 HydrophobicContact CZ2-CB 4.49Å; W1526-L1545 HydrophobicContact CZ2-CD1 4.16Å; W1526-L1545 HydrophobicContact CZ2-CG 3.79Å |
| 1527 | Q | 92.3 | Very high | 90.8 | Very high | 134 Ų | 134 | 64.4 Ų | 64.4 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.3 | -46.4 | 174.7 | -76.2 | 173.7 | 46.3 | 0 | 0 | 111.5 | E1523 A1524 A1530 R1531 | E1523-Q1527 WeakPolarHBondContact O-CB 3.38Å; E1523-Q1527 VanDerWaalsContact O-CG 3.25Å; E1523-Q1527 WeakPolarHBondContact O-CG 3.16Å; E1523-Q1527 PolarHBondContact O-N 2.88Å; A1524-Q1527 PolarHBondContact O-N 3.27Å; Q1527-A1530 WeakPolarHBondContact O-CB 3.46Å; Q1527-A1530 PolarHBondContact O-N 3.38Å; Q1527-R1531 WeakPolarHBondContact O-CG 3.37Å; Q1527-R1531 PolarHBondContact O-N 3.28Å; Q1527-R1531 VanDerWaalsContact O-N 3.09Å |
| 1528 | V | 92.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.2 | -36.6 | 178.6 | 76.9 | 0 | 0 | 0 | 0 | 112 | A1524 L1525 A1530 R1531 V1532 A1567 L1570 L1571 | A1524-V1528 PolarHBondContact O-N 3.41Å; L1525-V1528 WeakPolarHBondContact O-CG1 3.31Å; V1528-A1530 PolarHBondContact O-N 2.87Å; V1528-R1531 WeakPolarHBondContact O-CB 3.18Å; V1528-R1531 PolarHBondContact O-N 2.86Å; V1528-R1531 VanDerWaalsContact O-N 3.12Å; V1528-V1532 WeakPolarHBondContact O-CG2 3.35Å; V1528-V1532 PolarHBondContact O-N 3.27Å; V1528-A1567 HydrophobicContact CG1-CB 4.06Å; V1528-A1567 HydrophobicContact CG2-CB 3.89Å; V1528-L1570 HydrophobicContact CG2-CB 3.61Å; V1528-L1570 HydrophobicContact CG2-CD1 4.12Å; V1528-L1571 HydrophobicContact CB-CD2 4.28Å; V1528-L1571 HydrophobicContact CB-CG 4.34Å; V1528-L1571 HydrophobicContact CG1-CD1 3.98Å; V1528-L1571 HydrophobicContact CG1-CD2 4.04Å; V1528-L1571 HydrophobicContact CG1-CG 3.94Å; V1528-L1571 HydrophobicContact CG2-CG 4.42Å |
| 1529 | L | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -28.6 | 171.7 | -77.4 | 171.9 | 0 | 0 | 0 | 112.9 | L1513 L1525 W1526 L1534 K1535 V1538 L1545 L1564 | L1513-L1529 HydrophobicContact CD1-CD1 3.88Å; L1513-L1529 HydrophobicContact CD1-CD2 4.06Å; L1513-L1529 HydrophobicContact CD1-CG 3.83Å; L1525-L1529 WeakPolarHBondContact O-CB 3.25Å; L1525-L1529 VanDerWaalsContact O-CG 3.26Å; L1525-L1529 WeakPolarHBondContact O-CG 3.48Å; L1525-L1529 PolarHBondContact O-N 3.38Å; W1526-L1529 HydrophobicContact CE3-CD1 3.99Å; W1526-L1529 HydrophobicContact CZ3-CD1 4.16Å; L1529-L1534 HydrophobicContact CD2-CB 3.72Å; L1529-L1534 HydrophobicContact CD2-CD1 4.21Å; L1529-L1534 CarbonylContact O-C 3.6Å; L1529-L1534 PolarHBondContact O-N 3.26Å; L1529-K1535 HydrophobicContact CB-CB 4.37Å; L1529-K1535 PolarHBondContact O-N 2.98Å; L1529-V1538 HydrophobicContact CD1-CB 4.22Å; L1529-V1538 HydrophobicContact CD1-CG1 4.15Å; L1529-V1538 HydrophobicContact CD1-CG2 4.03Å; L1529-V1538 HydrophobicContact CD2-CG2 4Å; L1529-L1545 HydrophobicContact CD1-CD2 3.72Å; L1529-L1564 HydrophobicContact CD2-CD2 4.1Å |
| 1530 | A | 92.2 | Very high | 91.2 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 45% | 0.446 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.9 | -43.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W1526 Q1527 V1528 V1532 E1533 K1535 | W1526-A1530 PolarHBondContact O-N 3.1Å; W1526-A1530 VanDerWaalsContact O-N 3.11Å; Q1527-A1530 WeakPolarHBondContact O-CB 3.46Å; Q1527-A1530 PolarHBondContact O-N 3.38Å; V1528-A1530 PolarHBondContact O-N 2.87Å; A1530-V1532 VanDerWaalsContact C-N 3.33Å; A1530-V1532 PolarHBondContact O-N 2.92Å; A1530-E1533 PolarHBondContact O-N 3.41Å; A1530-K1535 HydrophobicContact CB-CB 4.3Å; A1530-K1535 HydrophobicContact CB-CD 4.18Å |
| 1531 | R | 90.1 | Very high | 91.2 | Very high | 110 Ų | 110 | 64.3 Ų | 64.3 | 42% | 0.415 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 176.9 | -68 | 174.1 | 66.2 | -178.4 | 0.2 | 112.8 | Q1527 V1528 E1533 L1570 E1601 | Q1527-R1531 WeakPolarHBondContact O-CG 3.37Å; Q1527-R1531 PolarHBondContact O-N 3.28Å; Q1527-R1531 VanDerWaalsContact O-N 3.09Å; V1528-R1531 WeakPolarHBondContact O-CB 3.18Å; V1528-R1531 PolarHBondContact O-N 2.86Å; V1528-R1531 VanDerWaalsContact O-N 3.12Å; R1531-E1533 VanDerWaalsContact C-N 3.33Å; R1531-E1533 PolarHBondContact O-N 2.64Å; R1531-L1570 HydrophobicContact CB-CD1 4.41Å; R1531-E1601 IonicContact CZ-OE2 2.78Å; R1531-E1601 IonicContact NE-OE2 2.8Å; R1531-E1601 PolarHBondContact NE-OE2 3.48Å; R1531-E1601 IonicContact NH2-OE2 3.5Å; R1531-E1601 PolarHBondContact NH2-OE2 3.34Å |
| 1532 | V | 89.9 | Confident | 90.5 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 14.4 | 178.8 | -53.5 | 0 | 0 | 0 | 0 | 114.6 | V1528 A1530 L1534 R1563 L1566 A1567 L1570 | V1528-V1532 WeakPolarHBondContact O-CG2 3.35Å; V1528-V1532 PolarHBondContact O-N 3.27Å; A1530-V1532 VanDerWaalsContact C-N 3.33Å; A1530-V1532 PolarHBondContact O-N 2.92Å; V1532-L1534 VanDerWaalsContact C-N 3.35Å; V1532-L1534 HydrophobicContact CG2-CB 4.09Å; V1532-L1534 HydrophobicContact CG2-CD1 3.9Å; V1532-L1534 HydrophobicContact CG2-CG 3.94Å; V1532-L1534 PolarHBondContact O-N 3.41Å; V1532-R1563 HydrophobicContact CB-CB 4.21Å; V1532-R1563 HydrophobicContact CG2-CB 4.29Å; V1532-R1563 VanDerWaalsContact O-CD 3.29Å; V1532-R1563 WeakPolarHBondContact O-CD 3.42Å; V1532-R1563 WeakPolarHBondContact O-CG 3.42Å; V1532-L1566 HydrophobicContact CG1-CB 4.11Å; V1532-L1566 HydrophobicContact CG1-CD2 3.99Å; V1532-L1566 HydrophobicContact CG1-CG 3.84Å; V1532-A1567 HydrophobicContact CG1-CB 4.01Å; V1532-A1567 HydrophobicContact CG2-CB 3.93Å; V1532-L1570 HydrophobicContact CG1-CD1 3.88Å |
| 1533 | E | 88.5 | Confident | 90.2 | Very high | 123 Ų | 123 | 69.1 Ų | 69.1 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 44.5 | 179.9 | -63.8 | 175.8 | -160.3 | 0 | 0 | 113.9 | A1530 R1531 R1563 | A1530-E1533 PolarHBondContact O-N 3.41Å; R1531-E1533 VanDerWaalsContact C-N 3.33Å; R1531-E1533 PolarHBondContact O-N 2.64Å; E1533-R1563 PolarHBondContact O-NH1 3.06Å; E1533-R1563 IonicContact OE2-CZ 3.59Å; E1533-R1563 IonicContact OE2-NH1 3.18Å; E1533-R1563 PolarHBondContact OE2-NH1 3.16Å; E1533-R1563 IonicContact OE2-NH2 3.98Å; E1533-R1563 PolarHBondContact OE2-NH2 2.78Å |
| 1534 | L | 91.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | trans | -119.8 | -11.5 | 175.3 | -72.8 | -177.9 | 0 | 0 | 0 | 114.4 | L1529 V1532 E1536 L1537 V1538 E1560 R1563 L1564 | L1529-L1534 HydrophobicContact CD2-CB 3.72Å; L1529-L1534 HydrophobicContact CD2-CD1 4.21Å; L1529-L1534 CarbonylContact O-C 3.6Å; L1529-L1534 PolarHBondContact O-N 3.26Å; V1532-L1534 VanDerWaalsContact C-N 3.35Å; V1532-L1534 HydrophobicContact CG2-CB 4.09Å; V1532-L1534 HydrophobicContact CG2-CD1 3.9Å; V1532-L1534 HydrophobicContact CG2-CG 3.94Å; V1532-L1534 PolarHBondContact O-N 3.41Å; L1534-E1536 PolarHBondContact O-N 3.36Å; L1534-L1537 WeakPolarHBondContact O-CB 3.36Å; L1534-L1537 PolarHBondContact O-N 3.27Å; L1534-V1538 PolarHBondContact O-N 3.09Å; L1534-E1560 HydrophobicContact CD2-CB 4.24Å; L1534-E1560 HydrophobicContact CD2-CG 3.89Å; L1534-R1563 HydrophobicContact CD1-CB 3.55Å; L1534-R1563 HydrophobicContact CD2-CB 4.12Å; L1534-R1563 HydrophobicContact CG-CB 3.74Å; L1534-L1564 HydrophobicContact CD1-CB 4.45Å; L1534-L1564 HydrophobicContact CD1-CD2 3.64Å; L1534-L1564 HydrophobicContact CD1-CG 3.58Å | ||
| 1535 | K | 91.8 | Very high | 90.1 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -50.1 | -53.8 | -175.7 | 176.2 | 170 | 177.2 | 179.2 | 0 | 113 | W1526 L1529 A1530 L1537 V1538 E1539 | W1526-K1535 HydrophobicContact CE3-CD 4.46Å; W1526-K1535 HydrophobicContact CE3-CG 4.01Å; W1526-K1535 HydrophobicContact CZ3-CG 4.15Å; L1529-K1535 HydrophobicContact CB-CB 4.37Å; L1529-K1535 PolarHBondContact O-N 2.98Å; A1530-K1535 HydrophobicContact CB-CB 4.3Å; A1530-K1535 HydrophobicContact CB-CD 4.18Å; K1535-L1537 VanDerWaalsContact C-N 3.25Å; K1535-L1537 PolarHBondContact O-N 2.93Å; K1535-V1538 PolarHBondContact O-N 2.97Å; K1535-V1538 VanDerWaalsContact O-N 3.15Å; K1535-E1539 WeakPolarHBondContact CE-OE1 3.34Å; K1535-E1539 WeakPolarHBondContact CE-OE2 3.3Å; K1535-E1539 HydrophobicContact CG-CG 4.24Å; K1535-E1539 IonicContact NZ-OE1 3.71Å; K1535-E1539 PolarHBondContact NZ-OE1 3.35Å; K1535-E1539 WeakPolarHBondContact O-CG 3.43Å; K1535-E1539 PolarHBondContact O-N 3.35Å |
| 1536 | E | 89.1 | Confident | 89.8 | Confident | 156 Ų | 156 | 68.4 Ų | 68.4 | 73% | 0.729 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.7 | -34.3 | -179.5 | -64 | -172.6 | 174.2 | 0 | 0 | 112.5 | L1534 N1540 | L1534-E1536 PolarHBondContact O-N 3.36Å; E1536-N1540 PolarHBondContact O-N 2.88Å; E1536-N1540 PolarHBondContact O-ND2 2.93Å |
| 1537 | L | 88.8 | Confident | 89.5 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 177.3 | -178.1 | 148 | 0 | 0 | 0 | 110.9 | L1534 K1535 N1540 L1541 F1556 E1560 | L1534-L1537 WeakPolarHBondContact O-CB 3.36Å; L1534-L1537 PolarHBondContact O-N 3.27Å; K1535-L1537 VanDerWaalsContact C-N 3.25Å; K1535-L1537 PolarHBondContact O-N 2.93Å; L1537-N1540 PolarHBondContact O-N 2.78Å; L1537-L1541 HydrophobicContact CD2-CD1 4.44Å; L1537-L1541 WeakPolarHBondContact O-CG 3.33Å; L1537-F1556 HydrophobicContact CD2-CD1 4.3Å; L1537-F1556 HydrophobicContact CD2-CE1 3.88Å; L1537-E1560 HydrophobicContact CD1-CG 3.9Å |
| 1538 | V | 89.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 179.3 | -179 | 0 | 0 | 0 | 0 | 111.6 | I1509 W1526 L1529 L1534 K1535 N1540 L1541 G1544 L1545 | I1509-V1538 HydrophobicContact CD1-CG1 4.15Å; I1509-V1538 HydrophobicContact CD1-CG2 4.36Å; I1509-V1538 HydrophobicContact CG2-CG1 4.41Å; I1509-V1538 HydrophobicContact CG2-CG2 4.43Å; W1526-V1538 HydrophobicContact CH2-CB 4.23Å; W1526-V1538 HydrophobicContact CH2-CG1 3.76Å; W1526-V1538 HydrophobicContact CZ3-CB 3.99Å; W1526-V1538 HydrophobicContact CZ3-CG1 3.92Å; L1529-V1538 HydrophobicContact CD1-CB 4.22Å; L1529-V1538 HydrophobicContact CD1-CG1 4.15Å; L1529-V1538 HydrophobicContact CD1-CG2 4.03Å; L1529-V1538 HydrophobicContact CD2-CG2 4Å; L1534-V1538 PolarHBondContact O-N 3.09Å; K1535-V1538 PolarHBondContact O-N 2.97Å; K1535-V1538 VanDerWaalsContact O-N 3.15Å; V1538-N1540 PolarHBondContact O-N 2.78Å; V1538-L1541 PolarHBondContact O-N 3.36Å; V1538-L1541 VanDerWaalsContact O-N 3.12Å; V1538-G1544 WeakPolarHBondContact O-CA 3.38Å; V1538-L1545 HydrophobicContact CG1-CD2 4.47Å |
| 1539 | E | 90.7 | Very high | 88.6 | Confident | 103 Ų | 103 | 62.7 Ų | 62.7 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.9 | -24.9 | 173.6 | -73.4 | 179.4 | 144.4 | 0 | 0 | 113.1 | W1526 K1535 | W1526-E1539 HydrophobicContact CE3-CG 4.48Å; W1526-E1539 HydrophobicContact CH2-CB 4.5Å; W1526-E1539 HydrophobicContact CH2-CG 3.59Å; W1526-E1539 HydrophobicContact CZ3-CG 3.58Å; K1535-E1539 WeakPolarHBondContact CE-OE1 3.34Å; K1535-E1539 WeakPolarHBondContact CE-OE2 3.3Å; K1535-E1539 HydrophobicContact CG-CG 4.24Å; K1535-E1539 IonicContact NZ-OE1 3.71Å; K1535-E1539 PolarHBondContact NZ-OE1 3.35Å; K1535-E1539 WeakPolarHBondContact O-CG 3.43Å; K1535-E1539 PolarHBondContact O-N 3.35Å |
| 1540 | N | 88.2 | Confident | 87.5 | Confident | 141 Ų | 141 | 66 Ų | 66 | 75% | 0.754 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 5 | 176.4 | -80.3 | -77.8 | 0 | 0 | 0 | 114.3 | E1536 L1537 V1538 | E1536-N1540 PolarHBondContact O-N 2.88Å; E1536-N1540 PolarHBondContact O-ND2 2.93Å; L1537-N1540 PolarHBondContact O-N 2.78Å; V1538-N1540 PolarHBondContact O-N 2.78Å |
| 1541 | L | 87.4 | Confident | 86.2 | Confident | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -89 | 149.5 | 173.7 | -64 | 174.1 | 0 | 0 | 0 | 111.5 | I1509 L1537 V1538 E1543 G1544 T1547 F1556 | I1509-L1541 HydrophobicContact CD1-CD1 3.33Å; L1537-L1541 HydrophobicContact CD2-CD1 4.44Å; L1537-L1541 WeakPolarHBondContact O-CG 3.33Å; V1538-L1541 PolarHBondContact O-N 3.36Å; V1538-L1541 VanDerWaalsContact O-N 3.12Å; L1541-E1543 PolarHBondContact O-N 2.91Å; L1541-G1544 PolarHBondContact O-N 3.48Å; L1541-G1544 VanDerWaalsContact O-N 3.12Å; L1541-T1547 HydrophobicContact CB-CG2 4.2Å; L1541-T1547 WeakPolarHBondContact CB-OG1 3.44Å; L1541-T1547 HydrophobicContact CD1-CG2 4.3Å; L1541-F1556 HydrophobicContact CD1-CZ 4.4Å |
| 1542 | P | 78.2 | Confident | 85 | Confident | 113 Ų | 113 | 64 Ų | 64 | 73% | 0.734 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.8 | -168.9 | -26.7 | 35.7 | 0 | 0 | 0 | 115.7 | ||
| 1543 | E | 85.5 | Confident | 83.7 | Confident | 126 Ų | 126 | 64 Ų | 64 | 59% | 0.589 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | 14.3 | -177.3 | -59.8 | 175.3 | 149 | 0 | 0 | 111.5 | L1541 L1545 L1546 T1547 | L1541-E1543 PolarHBondContact O-N 2.91Å; E1543-L1545 PolarHBondContact O-N 3.36Å; E1543-L1546 HydrophobicContact CB-CB 4.19Å; E1543-L1546 WeakPolarHBondContact O-CB 3.3Å; E1543-L1546 PolarHBondContact O-N 3.02Å; E1543-T1547 PolarHBondContact N-OG1 2.92Å |
| 1544 | G | 89.7 | Confident | 82.7 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | 53.8 | -128.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1538 L1541 L1546 T1547 | V1538-G1544 WeakPolarHBondContact O-CA 3.38Å; L1541-G1544 PolarHBondContact O-N 3.48Å; L1541-G1544 VanDerWaalsContact O-N 3.12Å; G1544-L1546 PolarHBondContact O-N 2.96Å; G1544-T1547 PolarHBondContact N-OG1 3.44Å; G1544-T1547 VanDerWaalsContact O-CB 3.28Å; G1544-T1547 WeakPolarHBondContact O-CB 3.38Å; G1544-T1547 PolarHBondContact O-N 3.5Å; G1544-T1547 VanDerWaalsContact O-N 3.11Å; G1544-T1547 PolarHBondContact O-OG1 2.92Å |
| 1545 | L | 90.9 | Very high | 81.7 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -56.3 | -27.2 | 173.9 | -86.6 | -179.9 | 0 | 0 | 0 | 114.5 | I1509 A1510 L1513 D1522 L1525 W1526 L1529 V1538 E1543 T1547 | I1509-L1545 HydrophobicContact CG2-CD2 4.23Å; I1509-L1545 PolarHBondContact N-O 2.87Å; A1510-L1545 HydrophobicContact CB-CB 4.21Å; A1510-L1545 HydrophobicContact CB-CD2 4.34Å; A1510-L1545 PolarHBondContact N-O 2.92Å; L1513-L1545 HydrophobicContact CD1-CD2 4.21Å; D1522-L1545 HydrophobicContact CB-CD1 4.11Å; L1525-L1545 HydrophobicContact CB-CD1 4.12Å; L1525-L1545 HydrophobicContact CB-CD2 4.18Å; L1525-L1545 HydrophobicContact CD1-CD1 4.35Å; L1525-L1545 HydrophobicContact CD1-CD2 4.38Å; W1526-L1545 HydrophobicContact CD2-CD1 4.22Å; W1526-L1545 HydrophobicContact CD2-CG 4.37Å; W1526-L1545 HydrophobicContact CG-CD1 4.32Å; W1526-L1545 HydrophobicContact CH2-CG 4.34Å; W1526-L1545 HydrophobicContact CZ2-CB 4.49Å; W1526-L1545 HydrophobicContact CZ2-CD1 4.16Å; W1526-L1545 HydrophobicContact CZ2-CG 3.79Å; L1529-L1545 HydrophobicContact CD1-CD2 3.72Å; V1538-L1545 HydrophobicContact CG1-CD2 4.47Å; E1543-L1545 PolarHBondContact O-N 3.36Å; L1545-T1547 VanDerWaalsContact C-N 3.33Å |
| 1546 | L | 89.9 | Confident | 81.1 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 58% | 0.581 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -82.3 | -11 | 179.7 | -63.5 | 178.2 | 0 | 0 | 0 | 113.2 | T1508 E1543 G1544 M1548 | T1508-L1546 WeakPolarHBondContact CG2-O 3.37Å; E1543-L1546 HydrophobicContact CB-CB 4.19Å; E1543-L1546 WeakPolarHBondContact O-CB 3.3Å; E1543-L1546 PolarHBondContact O-N 3.02Å; G1544-L1546 PolarHBondContact O-N 2.96Å; L1546-M1548 PolarHBondContact O-N 2.98Å; L1546-M1548 VanDerWaalsContact O-N 3.14Å |
| 1547 | T | 88.6 | Confident | 80.6 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 121.6 | -179.8 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | T1508 I1509 L1541 E1543 G1544 L1545 | T1508-T1547 WeakPolarHBondContact CA-O 3.35Å; I1509-T1547 PolarHBondContact N-O 3.42Å; I1509-T1547 VanDerWaalsContact N-O 3.13Å; L1541-T1547 HydrophobicContact CB-CG2 4.2Å; L1541-T1547 WeakPolarHBondContact CB-OG1 3.44Å; L1541-T1547 HydrophobicContact CD1-CG2 4.3Å; E1543-T1547 PolarHBondContact N-OG1 2.92Å; G1544-T1547 PolarHBondContact N-OG1 3.44Å; G1544-T1547 VanDerWaalsContact O-CB 3.28Å; G1544-T1547 WeakPolarHBondContact O-CB 3.38Å; G1544-T1547 PolarHBondContact O-N 3.5Å; G1544-T1547 VanDerWaalsContact O-N 3.11Å; G1544-T1547 PolarHBondContact O-OG1 2.92Å; L1545-T1547 VanDerWaalsContact C-N 3.33Å |
| 1548 | M | 83.1 | Confident | 80 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 39% | 0.394 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 134.1 | 174 | -74.8 | -68.9 | -66.9 | 0 | 0 | 111 | H1506 T1508 L1546 | H1506-M1548 WeakPolarHBondContact O-CE 3.37Å; T1508-M1548 HydrophobicContact CG2-SD 4.21Å; L1546-M1548 PolarHBondContact O-N 2.98Å; L1546-M1548 VanDerWaalsContact O-N 3.14Å |
| 1549 | V | 82.5 | Confident | 79.4 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 129.7 | 174.3 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | L1504 H1506 T1507 I1509 F1556 | L1504-V1549 HydrophobicContact CB-CG1 3.85Å; L1504-V1549 HydrophobicContact CD1-CG1 4.14Å; H1506-V1549 PolarHBondContact ND1-O 2.91Å; T1507-V1549 WeakPolarHBondContact O-CB 3.42Å; T1507-V1549 WeakPolarHBondContact O-CG2 3.32Å; T1507-V1549 PolarHBondContact O-N 2.84Å; I1509-V1549 HydrophobicContact CG1-CG2 3.76Å; V1549-F1556 HydrophobicContact CB-CE2 4.46Å; V1549-F1556 HydrophobicContact CG1-CD2 4.29Å; V1549-F1556 HydrophobicContact CG1-CE2 3.91Å; V1549-F1556 HydrophobicContact CG2-CE2 4Å |
| 1550 | D | 71.6 | Confident | 79.2 | Confident | 70 Ų | 70 | 58.3 Ų | 58.3 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 160.7 | 175.3 | -57.5 | -71 | 0 | 0 | 0 | 111.8 | A1552 G1553 R1555 | D1550-A1552 PolarHBondContact O-N 2.93Å; D1550-G1553 WeakPolarHBondContact O-CA 3.22Å; D1550-G1553 PolarHBondContact O-N 2.96Å; D1550-R1555 WeakPolarHBondContact OD2-CB 3.19Å; D1550-R1555 VanDerWaalsContact OD2-CD 3.27Å; D1550-R1555 WeakPolarHBondContact OD2-CD 3.34Å |
| 1551 | E | 65 | Low | 79.1 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -49.6 | 125.5 | -178.3 | -162.9 | -180 | 177.3 | 0 | 0 | 111.8 | R887 G1553 L1554 | R887-E1551 IonicContact CZ-OE1 3.71Å; R887-E1551 IonicContact NH1-OE1 3.82Å; R887-E1551 PolarHBondContact NH1-OE1 2.93Å; R887-E1551 IonicContact NH2-OE1 2.69Å; R887-E1551 PolarHBondContact NH2-OE1 3.15Å; E1551-G1553 PolarHBondContact O-N 2.86Å; E1551-L1554 WeakPolarHBondContact O-CD1 3.47Å; E1551-L1554 WeakPolarHBondContact O-CG 3.33Å; E1551-L1554 PolarHBondContact O-N 2.72Å |
| 1552 | A | 63.9 | Low | 79 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 20% | 0.198 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | 54.6 | 16.4 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y1503 L1504 D1550 R1561 | Y1503-A1552 HydrophobicContact CD2-CB 4.32Å; Y1503-A1552 HydrophobicContact CE2-CB 3.67Å; L1504-A1552 WeakPolarHBondContact O-CA 3.35Å; D1550-A1552 PolarHBondContact O-N 2.93Å; A1552-R1561 PolarHBondContact O-NH1 3.05Å |
| 1553 | G | 63.8 | Low | 79.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | 72.2 | 27 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1550 E1551 R1555 F1556 | D1550-G1553 WeakPolarHBondContact O-CA 3.22Å; D1550-G1553 PolarHBondContact O-N 2.96Å; E1551-G1553 PolarHBondContact O-N 2.86Å; G1553-R1555 PolarHBondContact O-N 3.21Å; G1553-F1556 PolarHBondContact O-N 3.33Å |
| 1554 | L | 66.6 | Low | 79.8 | Confident | 140 Ų | 140 | 43.9 Ų | 43.9 | 73% | 0.733 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -20.4 | -174.2 | -75.5 | 166.2 | 0 | 0 | 0 | 115.8 | E1551 | E1551-L1554 WeakPolarHBondContact O-CD1 3.47Å; E1551-L1554 WeakPolarHBondContact O-CG 3.33Å; E1551-L1554 PolarHBondContact O-N 2.72Å |
| 1555 | R | 71.2 | Confident | 79.8 | Confident | 127 Ų | 127 | 43.6 Ų | 43.6 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -20.6 | 176.7 | 177.1 | 173.5 | 177.3 | 169.6 | 0.1 | 114.7 | D1550 G1553 | D1550-R1555 WeakPolarHBondContact OD2-CB 3.19Å; D1550-R1555 VanDerWaalsContact OD2-CD 3.27Å; D1550-R1555 WeakPolarHBondContact OD2-CD 3.34Å; G1553-R1555 PolarHBondContact O-N 3.21Å |
| 1556 | F | 78 | Confident | 79.8 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -97.8 | 142.9 | -177.3 | -65.9 | -83.9 | 0 | 0 | 0 | 111.7 | L1504 I1509 L1537 L1541 V1549 G1553 E1560 R1561 L1564 | L1504-F1556 HydrophobicContact CD1-CD2 3.91Å; L1504-F1556 HydrophobicContact CD1-CE2 4.4Å; L1504-F1556 HydrophobicContact CD1-CG 4.45Å; I1509-F1556 HydrophobicContact CD1-CZ 3.93Å; I1509-F1556 HydrophobicContact CG1-CZ 4.21Å; L1537-F1556 HydrophobicContact CD2-CD1 4.3Å; L1537-F1556 HydrophobicContact CD2-CE1 3.88Å; L1541-F1556 HydrophobicContact CD1-CZ 4.4Å; V1549-F1556 HydrophobicContact CB-CE2 4.46Å; V1549-F1556 HydrophobicContact CG1-CD2 4.29Å; V1549-F1556 HydrophobicContact CG1-CE2 3.91Å; V1549-F1556 HydrophobicContact CG2-CE2 4Å; G1553-F1556 PolarHBondContact O-N 3.33Å; F1556-E1560 WeakPolarHBondContact CA-OE2 3.2Å; F1556-E1560 HydrophobicContact CB-CB 4.04Å; F1556-E1560 HydrophobicContact CD1-CB 4.18Å; F1556-R1561 HydrophobicContact CB-CG 3.67Å; F1556-L1564 HydrophobicContact CD1-CD1 4.31Å; F1556-L1564 HydrophobicContact CE1-CD1 4.36Å; F1556-L1564 HydrophobicContact CG-CD1 4.45Å |
| 1557 | S | 79.8 | Confident | 80 | Confident | 50 Ų | 50 | 37.9 Ų | 37.9 | 35% | 0.35 | 19% | 0.193 | S | C | . | . | trans | -67.2 | 164 | 174.4 | 81.5 | 0 | 0 | 0 | 0 | 112.3 | G1559 E1560 R1561 | S1557-G1559 VanDerWaalsContact C-N 3.25Å; S1557-G1559 PolarHBondContact O-N 2.84Å; S1557-E1560 WeakPolarHBondContact CB-OE1 3.44Å; S1557-E1560 PolarHBondContact N-OE2 2.94Å; S1557-E1560 PolarHBondContact O-N 2.92Å; S1557-E1560 PolarHBondContact OG-N 3.09Å; S1557-E1560 PolarHBondContact OG-OE1 2.83Å; S1557-R1561 WeakPolarHBondContact O-CG 3.41Å; S1557-R1561 PolarHBondContact O-N 3.43Å | ||
| 1558 | G | 74.9 | Confident | 80.2 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | R1561 Q1562 | G1558-R1561 PolarHBondContact O-N 2.72Å; G1558-Q1562 PolarHBondContact O-N 3.44Å |
| 1559 | G | 78 | Confident | 80.5 | Confident | 4 Ų | 4 | 34 Ų | 34 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.6 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1557 Q1562 R1563 | S1557-G1559 VanDerWaalsContact C-N 3.25Å; S1557-G1559 PolarHBondContact O-N 2.84Å; G1559-Q1562 PolarHBondContact O-N 3.25Å; G1559-R1563 WeakPolarHBondContact O-CB 3.46Å; G1559-R1563 VanDerWaalsContact O-CG 3.3Å; G1559-R1563 WeakPolarHBondContact O-CG 3.27Å; G1559-R1563 PolarHBondContact O-N 3.31Å |
| 1560 | E | 86.6 | Confident | 80.9 | Confident | 47 Ų | 47 | 34.7 Ų | 34.7 | 22% | 0.22 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 173.7 | -73.1 | 143.1 | -125.1 | 0 | 0 | 112 | L1534 L1537 F1556 S1557 Q1562 R1563 L1564 | L1534-E1560 HydrophobicContact CD2-CB 4.24Å; L1534-E1560 HydrophobicContact CD2-CG 3.89Å; L1537-E1560 HydrophobicContact CD1-CG 3.9Å; F1556-E1560 WeakPolarHBondContact CA-OE2 3.2Å; F1556-E1560 HydrophobicContact CB-CB 4.04Å; F1556-E1560 HydrophobicContact CD1-CB 4.18Å; S1557-E1560 WeakPolarHBondContact CB-OE1 3.44Å; S1557-E1560 PolarHBondContact N-OE2 2.94Å; S1557-E1560 PolarHBondContact O-N 2.92Å; S1557-E1560 PolarHBondContact OG-N 3.09Å; S1557-E1560 PolarHBondContact OG-OE1 2.83Å; E1560-Q1562 VanDerWaalsContact C-N 3.35Å; E1560-Q1562 PolarHBondContact O-N 3.35Å; E1560-R1563 PolarHBondContact O-N 3.31Å; E1560-L1564 WeakPolarHBondContact O-CG 3.37Å; E1560-L1564 PolarHBondContact O-N 3.39Å |
| 1561 | R | 86.5 | Confident | 81.9 | Confident | 53 Ų | 53 | 32.2 Ų | 32.2 | 20% | 0.2 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 177.1 | -65.8 | -170.5 | -65.3 | 171.9 | 4 | 112.1 | P1502 L1504 A1552 F1556 S1557 G1558 L1564 A1565 | P1502-R1561 HydrophobicContact CG-CB 4.24Å; L1504-R1561 HydrophobicContact CD1-CG 3.93Å; L1504-R1561 HydrophobicContact CG-CG 4.49Å; A1552-R1561 PolarHBondContact O-NH1 3.05Å; F1556-R1561 HydrophobicContact CB-CG 3.67Å; S1557-R1561 WeakPolarHBondContact O-CG 3.41Å; S1557-R1561 PolarHBondContact O-N 3.43Å; G1558-R1561 PolarHBondContact O-N 2.72Å; R1561-L1564 PolarHBondContact O-N 3.49Å; R1561-A1565 PolarHBondContact O-N 3.07Å |
| 1562 | Q | 85.4 | Confident | 83 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.4 | -38.8 | 171.8 | -76.1 | -67.3 | -3.8 | 0 | 0 | 112.8 | H1499 Q1500 G1558 G1559 E1560 A1565 L1566 P1582 L1594 | H1499-Q1562 PolarHBondContact O-NE2 3.38Å; Q1500-Q1562 PolarHBondContact O-NE2 2.95Å; G1558-Q1562 PolarHBondContact O-N 3.44Å; G1559-Q1562 PolarHBondContact O-N 3.25Å; E1560-Q1562 VanDerWaalsContact C-N 3.35Å; E1560-Q1562 PolarHBondContact O-N 3.35Å; Q1562-A1565 WeakPolarHBondContact O-CB 3.4Å; Q1562-A1565 PolarHBondContact O-N 3.06Å; Q1562-L1566 PolarHBondContact O-N 3.39Å; Q1562-P1582 WeakPolarHBondContact CG-O 3.41Å; Q1562-P1582 PolarHBondContact NE2-O 3.47Å; Q1562-L1594 HydrophobicContact CB-CD1 4.23Å; Q1562-L1594 HydrophobicContact CB-CD2 3.65Å; Q1562-L1594 HydrophobicContact CG-CD2 4.09Å |
| 1563 | R | 89.3 | Confident | 84 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 172.8 | -75.5 | 169.1 | 174.7 | -145.7 | -14 | 112.3 | V1532 E1533 L1534 G1559 E1560 L1566 A1567 L1594 | V1532-R1563 HydrophobicContact CB-CB 4.21Å; V1532-R1563 HydrophobicContact CG2-CB 4.29Å; V1532-R1563 VanDerWaalsContact O-CD 3.29Å; V1532-R1563 WeakPolarHBondContact O-CD 3.42Å; V1532-R1563 WeakPolarHBondContact O-CG 3.42Å; E1533-R1563 PolarHBondContact O-NH1 3.06Å; E1533-R1563 IonicContact OE2-CZ 3.59Å; E1533-R1563 IonicContact OE2-NH1 3.18Å; E1533-R1563 PolarHBondContact OE2-NH1 3.16Å; E1533-R1563 IonicContact OE2-NH2 3.98Å; E1533-R1563 PolarHBondContact OE2-NH2 2.78Å; L1534-R1563 HydrophobicContact CD1-CB 3.55Å; L1534-R1563 HydrophobicContact CD2-CB 4.12Å; L1534-R1563 HydrophobicContact CG-CB 3.74Å; G1559-R1563 WeakPolarHBondContact O-CB 3.46Å; G1559-R1563 VanDerWaalsContact O-CG 3.3Å; G1559-R1563 WeakPolarHBondContact O-CG 3.27Å; G1559-R1563 PolarHBondContact O-N 3.31Å; E1560-R1563 PolarHBondContact O-N 3.31Å; R1563-L1566 PolarHBondContact O-N 3.43Å; R1563-A1567 PolarHBondContact O-N 2.98Å; R1563-L1594 HydrophobicContact CG-CD1 4.05Å |
| 1564 | L | 90.8 | Very high | 85.2 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.5 | -36.6 | 171.8 | -73.2 | 171.1 | 0 | 0 | 0 | 112.2 | L1504 L1513 L1529 L1534 F1556 E1560 R1561 A1567 R1568 | L1504-L1564 HydrophobicContact CD1-CD1 3.61Å; L1504-L1564 HydrophobicContact CD2-CB 4.28Å; L1504-L1564 HydrophobicContact CD2-CD1 4.25Å; L1513-L1564 HydrophobicContact CD2-CD2 3.97Å; L1529-L1564 HydrophobicContact CD2-CD2 4.1Å; L1534-L1564 HydrophobicContact CD1-CB 4.45Å; L1534-L1564 HydrophobicContact CD1-CD2 3.64Å; L1534-L1564 HydrophobicContact CD1-CG 3.58Å; F1556-L1564 HydrophobicContact CD1-CD1 4.31Å; F1556-L1564 HydrophobicContact CE1-CD1 4.36Å; F1556-L1564 HydrophobicContact CG-CD1 4.45Å; E1560-L1564 WeakPolarHBondContact O-CG 3.37Å; E1560-L1564 PolarHBondContact O-N 3.39Å; R1561-L1564 PolarHBondContact O-N 3.49Å; L1564-A1567 PolarHBondContact O-N 3.3Å; L1564-R1568 PolarHBondContact O-N 2.97Å; L1564-R1568 VanDerWaalsContact O-N 3.15Å |
| 1565 | A | 90.1 | Very high | 86.3 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1498 P1502 R1561 Q1562 A1567 R1568 I1569 | I1498-A1565 HydrophobicContact CG2-CB 4.28Å; P1502-A1565 HydrophobicContact CB-CB 3.64Å; P1502-A1565 HydrophobicContact CG-CB 3.96Å; R1561-A1565 PolarHBondContact O-N 3.07Å; Q1562-A1565 WeakPolarHBondContact O-CB 3.4Å; Q1562-A1565 PolarHBondContact O-N 3.06Å; A1565-A1567 VanDerWaalsContact C-N 3.29Å; A1565-A1567 PolarHBondContact O-N 3.31Å; A1565-R1568 WeakPolarHBondContact O-CB 3.43Å; A1565-R1568 PolarHBondContact O-N 3.43Å; A1565-I1569 PolarHBondContact O-N 2.94Å |
| 1566 | L | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 172.2 | -178.7 | 55.3 | 0 | 0 | 0 | 111.5 | I1498 V1532 Q1562 R1563 R1568 I1569 L1570 T1597 F1598 L1602 | I1498-L1566 HydrophobicContact CD1-CB 4.27Å; I1498-L1566 HydrophobicContact CD1-CD1 4.07Å; V1532-L1566 HydrophobicContact CG1-CB 4.11Å; V1532-L1566 HydrophobicContact CG1-CD2 3.99Å; V1532-L1566 HydrophobicContact CG1-CG 3.84Å; Q1562-L1566 PolarHBondContact O-N 3.39Å; R1563-L1566 PolarHBondContact O-N 3.43Å; L1566-R1568 VanDerWaalsContact C-N 3.32Å; L1566-R1568 PolarHBondContact O-N 3.42Å; L1566-I1569 PolarHBondContact O-N 2.73Å; L1566-I1569 VanDerWaalsContact O-N 3.13Å; L1566-L1570 HydrophobicContact CD1-CD1 4.27Å; L1566-L1570 HydrophobicContact CD1-CD2 4.36Å; L1566-L1570 HydrophobicContact CD1-CG 4Å; L1566-L1570 HydrophobicContact CG-CD1 4.03Å; L1566-L1570 HydrophobicContact CG-CG 4.21Å; L1566-L1570 WeakPolarHBondContact O-CG 3.2Å; L1566-L1570 PolarHBondContact O-N 3.43Å; L1566-T1597 HydrophobicContact CD2-CG2 3.73Å; L1566-F1598 HydrophobicContact CB-CE1 4Å; L1566-F1598 HydrophobicContact CD1-CD1 3.83Å; L1566-F1598 HydrophobicContact CD1-CE1 3.99Å; L1566-F1598 HydrophobicContact CD2-CD1 3.78Å; L1566-F1598 HydrophobicContact CD2-CE1 3.99Å; L1566-F1598 HydrophobicContact CG-CD1 4.26Å; L1566-F1598 HydrophobicContact CG-CE1 4.21Å; L1566-L1602 HydrophobicContact CD1-CD1 4.33Å; L1566-L1602 HydrophobicContact CD1-CD2 4.37Å; L1566-L1602 HydrophobicContact CD1-CG 4.47Å |
| 1567 | A | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1513 V1528 V1532 R1563 L1564 A1565 L1570 L1571 | L1513-A1567 HydrophobicContact CD2-CB 3.56Å; V1528-A1567 HydrophobicContact CG1-CB 4.06Å; V1528-A1567 HydrophobicContact CG2-CB 3.89Å; V1532-A1567 HydrophobicContact CG1-CB 4.01Å; V1532-A1567 HydrophobicContact CG2-CB 3.93Å; R1563-A1567 PolarHBondContact O-N 2.98Å; L1564-A1567 PolarHBondContact O-N 3.3Å; A1565-A1567 VanDerWaalsContact C-N 3.29Å; A1565-A1567 PolarHBondContact O-N 3.31Å; A1567-L1570 PolarHBondContact O-N 3.39Å; A1567-L1571 WeakPolarHBondContact O-CG 3.28Å; A1567-L1571 PolarHBondContact O-N 2.93Å; A1567-L1571 VanDerWaalsContact O-N 3.14Å |
| 1568 | R | 92.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.9 | -45.9 | 171.6 | -65.2 | 169.9 | 175.3 | 160.8 | -5.6 | 111.6 | F895 Y1503 N1512 G1516 L1564 A1565 L1566 L1570 L1571 Q1572 | F895-R1568 HydrophobicContact CE1-CB 3.72Å; F895-R1568 HydrophobicContact CE2-CB 4.19Å; F895-R1568 HydrophobicContact CZ-CB 3.37Å; F895-R1568 HydrophobicContact CZ-CG 4.26Å; Y1503-R1568 PolarHBondContact O-NH1 3.34Å; Y1503-R1568 PolarHBondContact O-NH2 3.33Å; N1512-R1568 PolarHBondContact O-NE 3.43Å; N1512-R1568 PolarHBondContact O-NH2 2.84Å; N1512-R1568 PolarHBondContact OD1-NH2 3.49Å; G1516-R1568 WeakPolarHBondContact CA-O 3.27Å; L1564-R1568 PolarHBondContact O-N 2.97Å; L1564-R1568 VanDerWaalsContact O-N 3.15Å; A1565-R1568 WeakPolarHBondContact O-CB 3.43Å; A1565-R1568 PolarHBondContact O-N 3.43Å; L1566-R1568 VanDerWaalsContact C-N 3.32Å; L1566-R1568 PolarHBondContact O-N 3.42Å; R1568-L1570 VanDerWaalsContact C-N 3.35Å; R1568-L1570 PolarHBondContact O-N 3.48Å; R1568-L1571 PolarHBondContact O-N 2.94Å; R1568-Q1572 PolarHBondContact O-N 2.88Å; R1568-Q1572 VanDerWaalsContact O-N 3.11Å |
| 1569 | I | 90.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 178.6 | -63.3 | -57.1 | 0 | 0 | 0 | 112.1 | F895 I1498 A1565 L1566 L1571 Q1572 E1573 V1574 I1577 | F895-I1569 HydrophobicContact CE1-CD1 3.77Å; F895-I1569 HydrophobicContact CZ-CD1 3.69Å; F895-I1569 HydrophobicContact CZ-CG1 4.4Å; I1498-I1569 HydrophobicContact CD1-CB 4.46Å; I1498-I1569 HydrophobicContact CD1-CG1 3.92Å; I1498-I1569 HydrophobicContact CG1-CD1 4.41Å; I1498-I1569 HydrophobicContact CG1-CG1 3.58Å; A1565-I1569 PolarHBondContact O-N 2.94Å; L1566-I1569 PolarHBondContact O-N 2.73Å; L1566-I1569 VanDerWaalsContact O-N 3.13Å; I1569-L1571 VanDerWaalsContact C-N 3.28Å; I1569-L1571 PolarHBondContact O-N 3.2Å; I1569-Q1572 VanDerWaalsContact CD1-OE1 3.23Å; I1569-Q1572 WeakPolarHBondContact O-CB 3.45Å; I1569-Q1572 PolarHBondContact O-N 3.23Å; I1569-Q1572 VanDerWaalsContact O-N 3.15Å; I1569-E1573 PolarHBondContact O-N 3.48Å; I1569-V1574 HydrophobicContact CG2-CG2 4.2Å; I1569-I1577 HydrophobicContact CG2-CD1 3.61Å; I1569-I1577 HydrophobicContact CG2-CG2 4.5Å |
| 1570 | L | 91.7 | Very high | 89.8 | Confident | 16 Ų | 16 | 21.4 Ų | 21.4 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.9 | -23.4 | 176.7 | -68.1 | 179.7 | 0 | 0 | 0 | 113.2 | V1528 R1531 V1532 L1566 A1567 R1568 E1601 L1602 | V1528-L1570 HydrophobicContact CG2-CB 3.61Å; V1528-L1570 HydrophobicContact CG2-CD1 4.12Å; R1531-L1570 HydrophobicContact CB-CD1 4.41Å; V1532-L1570 HydrophobicContact CG1-CD1 3.88Å; L1566-L1570 HydrophobicContact CD1-CD1 4.27Å; L1566-L1570 HydrophobicContact CD1-CD2 4.36Å; L1566-L1570 HydrophobicContact CD1-CG 4Å; L1566-L1570 HydrophobicContact CG-CD1 4.03Å; L1566-L1570 HydrophobicContact CG-CG 4.21Å; L1566-L1570 WeakPolarHBondContact O-CG 3.2Å; L1566-L1570 PolarHBondContact O-N 3.43Å; A1567-L1570 PolarHBondContact O-N 3.39Å; R1568-L1570 VanDerWaalsContact C-N 3.35Å; R1568-L1570 PolarHBondContact O-N 3.48Å; L1570-E1601 HydrophobicContact CD1-CB 4.02Å; L1570-E1601 HydrophobicContact CD1-CG 4.21Å; L1570-E1601 HydrophobicContact CD2-CB 4.13Å; L1570-L1602 HydrophobicContact CD2-CD2 3.82Å |
| 1571 | L | 91.6 | Very high | 89.7 | Confident | 17 Ų | 17 | 20.1 Ų | 20.1 | 9% | 0.089 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -79.9 | -24.5 | 169.7 | -69.9 | 169.5 | 0 | 0 | 0 | 112.9 | L1513 N1517 A1520 A1524 L1525 V1528 A1567 R1568 I1569 | L1513-L1571 HydrophobicContact CB-CD1 4.14Å; L1513-L1571 WeakPolarHBondContact O-CD1 3.37Å; N1517-L1571 HydrophobicContact CB-CB 3.98Å; N1517-L1571 WeakPolarHBondContact CB-O 3.48Å; N1517-L1571 PolarHBondContact ND2-O 3.46Å; A1520-L1571 HydrophobicContact CB-CD1 4.49Å; A1520-L1571 HydrophobicContact CB-CD2 4.02Å; A1524-L1571 HydrophobicContact CB-CD2 4.48Å; L1525-L1571 HydrophobicContact CD2-CD1 3.74Å; V1528-L1571 HydrophobicContact CB-CD2 4.28Å; V1528-L1571 HydrophobicContact CB-CG 4.34Å; V1528-L1571 HydrophobicContact CG1-CD1 3.98Å; V1528-L1571 HydrophobicContact CG1-CD2 4.04Å; V1528-L1571 HydrophobicContact CG1-CG 3.94Å; V1528-L1571 HydrophobicContact CG2-CG 4.42Å; A1567-L1571 WeakPolarHBondContact O-CG 3.28Å; A1567-L1571 PolarHBondContact O-N 2.93Å; A1567-L1571 VanDerWaalsContact O-N 3.14Å; R1568-L1571 PolarHBondContact O-N 2.94Å; I1569-L1571 VanDerWaalsContact C-N 3.28Å; I1569-L1571 PolarHBondContact O-N 3.2Å |
| 1572 | Q | 88.1 | Confident | 89.4 | Confident | 31 Ų | 31 | 17.7 Ų | 17.7 | 15% | 0.145 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -79.7 | -16 | -179.7 | -159.4 | -174.8 | 7.2 | 0 | 0 | 113 | F895 S1492 G1516 R1568 I1569 V1574 | F895-Q1572 HydrophobicContact CD1-CG 4.29Å; F895-Q1572 HydrophobicContact CE1-CB 4.46Å; F895-Q1572 HydrophobicContact CE1-CG 4.46Å; F895-Q1572 VanDerWaalsContact CE1-OE1 3.25Å; S1492-Q1572 PolarHBondContact O-NE2 2.9Å; G1516-Q1572 WeakPolarHBondContact O-CA 3.14Å; R1568-Q1572 PolarHBondContact O-N 2.88Å; R1568-Q1572 VanDerWaalsContact O-N 3.11Å; I1569-Q1572 VanDerWaalsContact CD1-OE1 3.23Å; I1569-Q1572 WeakPolarHBondContact O-CB 3.45Å; I1569-Q1572 PolarHBondContact O-N 3.23Å; I1569-Q1572 VanDerWaalsContact O-N 3.15Å; Q1572-V1574 HydrophobicContact CB-CG2 4.48Å; Q1572-V1574 HydrophobicContact CG-CG1 3.96Å; Q1572-V1574 PolarHBondContact O-N 3.19Å |
| 1573 | E | 85 | Confident | 89 | Confident | 153 Ų | 153 | 17.5 Ų | 17.5 | 72% | 0.715 | 9% | 0.088 | S | C | * | . | trans | 54.1 | 3 | 176.2 | -59.7 | -155 | 130.6 | 0 | 0 | 118.4 | I1569 K1605 | I1569-E1573 PolarHBondContact O-N 3.48Å; E1573-K1605 PolarHBondContact O-NZ 2.98Å | ||
| 1574 | V | 89 | Confident | 88.2 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | trans | -40.4 | 145.9 | 179.5 | -80 | 0 | 0 | 0 | 0 | 116.3 | S1492 I1569 Q1572 I1577 K1605 | S1492-V1574 WeakPolarHBondContact O-CG1 3.37Å; I1569-V1574 HydrophobicContact CG2-CG2 4.2Å; Q1572-V1574 HydrophobicContact CB-CG2 4.48Å; Q1572-V1574 HydrophobicContact CG-CG1 3.96Å; Q1572-V1574 PolarHBondContact O-N 3.19Å; V1574-I1577 HydrophobicContact CB-CD1 4.46Å; V1574-I1577 HydrophobicContact CG2-CD1 3.44Å; V1574-I1577 VanDerWaalsContact CG2-CD1 3.44Å; V1574-K1605 VanDerWaalsContact O-CD 3.32Å; V1574-K1605 WeakPolarHBondContact O-CD 3.36Å; V1574-K1605 WeakPolarHBondContact O-CE 3.32Å; V1574-K1605 PolarHBondContact O-NZ 3.28Å | ||
| 1575 | P | 89.1 | Confident | 87 | Confident | 50 Ų | 50 | 19.9 Ų | 19.9 | 33% | 0.325 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -83.9 | -21.4 | 178.7 | 31.8 | -37 | 0 | 0 | 0 | 115.7 | L1417 Y1494 T1606 | L1417-P1575 HydrophobicContact CD1-CB 4.31Å; L1417-P1575 HydrophobicContact CD1-CG 3.45Å; L1417-P1575 VanDerWaalsContact CD1-CG 3.45Å; L1417-P1575 HydrophobicContact CG-CG 4.45Å; Y1494-P1575 WeakPolarHBondContact O-CD 3.31Å; Y1494-P1575 WeakPolarHBondContact O-CG 3.3Å; P1575-T1606 PolarHBondContact O-N 2.88Å; P1575-T1606 VanDerWaalsContact O-N 3.07Å; P1575-T1606 PolarHBondContact O-OG1 2.84Å |
| 1576 | I | 91.3 | Very high | 86.2 | Confident | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.8 | 177.4 | -53.2 | 178.5 | 0 | 0 | 0 | 109.2 | L1417 L1479 Y1494 L1495 G1496 T1606 I1608 | L1417-I1576 HydrophobicContact CB-CD1 4.1Å; L1417-I1576 HydrophobicContact CD1-CD1 4.04Å; L1417-I1576 HydrophobicContact CD1-CG1 4.27Å; L1479-I1576 HydrophobicContact CD1-CD1 3.75Å; Y1494-I1576 WeakPolarHBondContact O-CB 3.48Å; Y1494-I1576 PolarHBondContact O-N 3.37Å; L1495-I1576 WeakPolarHBondContact CA-O 3.27Å; L1495-I1576 HydrophobicContact CB-CB 4.43Å; L1495-I1576 HydrophobicContact CD1-CG2 4.2Å; L1495-I1576 HydrophobicContact CG-CB 4.38Å; L1495-I1576 HydrophobicContact CG-CG2 4.15Å; G1496-I1576 PolarHBondContact N-O 3.23Å; I1576-T1606 WeakPolarHBondContact CA-O 3.23Å; I1576-I1608 HydrophobicContact CG2-CD1 4.21Å |
| 1577 | I | 92.7 | Very high | 85.2 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127 | 176.1 | -46.2 | -55.4 | 0 | 0 | 0 | 110 | I1569 V1574 L1579 L1602 K1605 T1606 I1608 | I1569-I1577 HydrophobicContact CG2-CD1 3.61Å; I1569-I1577 HydrophobicContact CG2-CG2 4.5Å; V1574-I1577 HydrophobicContact CB-CD1 4.46Å; V1574-I1577 HydrophobicContact CG2-CD1 3.44Å; V1574-I1577 VanDerWaalsContact CG2-CD1 3.44Å; I1577-L1579 HydrophobicContact CG2-CD2 3.63Å; I1577-L1579 HydrophobicContact CG2-CG 4.06Å; I1577-L1602 HydrophobicContact CB-CD1 4.47Å; I1577-L1602 HydrophobicContact CD1-CD2 4.41Å; I1577-L1602 HydrophobicContact CG1-CD1 4.16Å; I1577-L1602 HydrophobicContact CG1-CD2 4.06Å; I1577-L1602 HydrophobicContact CG2-CD1 4.14Å; I1577-K1605 HydrophobicContact CG1-CB 4.07Å; I1577-K1605 HydrophobicContact CG1-CG 4.35Å; I1577-T1606 PolarHBondContact N-O 2.83Å; I1577-I1608 PolarHBondContact O-N 3.29Å |
| 1578 | L | 92.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.7 | 168.2 | 177.4 | 66.6 | 0 | 0 | 0 | 109.5 | A1463 R1467 L1495 G1496 V1497 I1498 I1608 I1610 | A1463-L1578 HydrophobicContact CB-CD1 4.23Å; A1463-L1578 HydrophobicContact CB-CD2 3.77Å; R1467-L1578 HydrophobicContact CG-CD2 3.9Å; L1495-L1578 HydrophobicContact CD2-CB 3.88Å; L1495-L1578 HydrophobicContact CD2-CD2 4.48Å; G1496-L1578 PolarHBondContact O-N 2.76Å; V1497-L1578 WeakPolarHBondContact CA-O 3.49Å; V1497-L1578 HydrophobicContact CG1-CD2 4.19Å; I1498-L1578 PolarHBondContact N-O 2.84Å; L1578-I1608 WeakPolarHBondContact CA-O 3.44Å; L1578-I1608 HydrophobicContact CD1-CB 3.92Å; L1578-I1608 HydrophobicContact CD1-CG2 3.68Å; L1578-I1610 HydrophobicContact CD1-CD1 4.34Å |
| 1579 | L | 91.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 105.1 | 177 | -59.6 | -179.5 | 0 | 0 | 0 | 108.7 | I1498 I1577 P1582 F1598 I1607 I1608 W1609 I1610 | I1498-L1579 HydrophobicContact CB-CD2 3.81Å; I1498-L1579 HydrophobicContact CD1-CD2 3.75Å; I1498-L1579 HydrophobicContact CG1-CD2 3.92Å; I1577-L1579 HydrophobicContact CG2-CD2 3.63Å; I1577-L1579 HydrophobicContact CG2-CG 4.06Å; L1579-P1582 HydrophobicContact CB-CG 4.11Å; L1579-F1598 HydrophobicContact CD2-CD1 4.44Å; L1579-F1598 HydrophobicContact CD2-CE1 4.37Å; L1579-I1607 HydrophobicContact CD1-CG2 3.89Å; L1579-I1607 HydrophobicContact CG-CG2 4.33Å; L1579-I1608 PolarHBondContact N-O 2.88Å; L1579-W1609 HydrophobicContact CB-CB 4.46Å; L1579-W1609 HydrophobicContact CB-CG 4.35Å; L1579-I1610 PolarHBondContact O-N 3.29Å |
| 1580 | D | 88.1 | Confident | 82.3 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.064 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 95.1 | -177.7 | -159.5 | 10.3 | 0 | 0 | 0 | 111.1 | I1498 Q1500 I1610 | I1498-D1580 PolarHBondContact O-N 3.38Å; Q1500-D1580 WeakPolarHBondContact CA-O 3.24Å; Q1500-D1580 PolarHBondContact N-O 3.11Å; D1580-I1610 WeakPolarHBondContact OD1-CD1 3.43Å; D1580-I1610 WeakPolarHBondContact OD1-CG2 3.28Å |
| 1581 | E | 84.7 | Confident | 81.5 | Confident | 20 Ų | 20 | 34.1 Ų | 34.1 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 44.5 | 51.5 | -177.6 | -54.2 | -161.1 | 161.1 | 0 | 0 | 114.9 | K1459 Q1500 T1583 V1584 I1610 H1612 | K1459-E1581 VanDerWaalsContact CE-OE1 3.31Å; K1459-E1581 WeakPolarHBondContact CE-OE1 3.36Å; K1459-E1581 IonicContact NZ-OE1 3.01Å; K1459-E1581 PolarHBondContact NZ-OE1 3.26Å; Q1500-E1581 PolarHBondContact NE2-OE2 3.42Å; E1581-T1583 VanDerWaalsContact C-N 3.29Å; E1581-T1583 PolarHBondContact O-N 3.35Å; E1581-T1583 VanDerWaalsContact O-N 3.15Å; E1581-V1584 HydrophobicContact CB-CG2 3.8Å; E1581-V1584 WeakPolarHBondContact O-CG2 3.42Å; E1581-V1584 PolarHBondContact O-N 3.26Å; E1581-I1610 WeakPolarHBondContact CA-O 3.03Å; E1581-I1610 HydrophobicContact CG-CG2 4Å; E1581-I1610 PolarHBondContact N-O 3.49Å; E1581-H1612 IonicContact OE1-CE1 3.72Å; E1581-H1612 IonicContact OE1-CG 2.74Å; E1581-H1612 IonicContact OE1-ND1 2.73Å; E1581-H1612 PolarHBondContact OE1-ND1 2.97Å; E1581-H1612 IonicContact OE2-CE1 3.38Å; E1581-H1612 PolarHBondContact OE2-CE1 3.33Å; E1581-H1612 IonicContact OE2-ND1 3.2Å; E1581-H1612 PolarHBondContact OE2-ND1 3.05Å |
| 1582 | P | 80.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.1 | -165.1 | 33.8 | -41.6 | 0 | 0 | 0 | 115.7 | I1498 Q1562 L1579 F1598 | I1498-P1582 HydrophobicContact CG2-CB 4.14Å; Q1562-P1582 WeakPolarHBondContact CG-O 3.41Å; Q1562-P1582 PolarHBondContact NE2-O 3.47Å; L1579-P1582 HydrophobicContact CB-CG 4.11Å; P1582-F1598 HydrophobicContact CB-CE2 3.8Å; P1582-F1598 HydrophobicContact CB-CZ 3.94Å; P1582-F1598 HydrophobicContact CG-CE2 3.84Å; P1582-F1598 HydrophobicContact CG-CZ 4.38Å |
| 1583 | T | 77.6 | Confident | 80.5 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -4.1 | -177.5 | 60 | 0 | 0 | 0 | 0 | 114.1 | E1581 G1585 L1586 E1591 L1594 I1595 | E1581-T1583 VanDerWaalsContact C-N 3.29Å; E1581-T1583 PolarHBondContact O-N 3.35Å; E1581-T1583 VanDerWaalsContact O-N 3.15Å; T1583-G1585 PolarHBondContact O-N 2.8Å; T1583-L1586 VanDerWaalsContact O-CB 3.29Å; T1583-L1586 WeakPolarHBondContact O-CB 3.43Å; T1583-L1586 VanDerWaalsContact O-CG 3.25Å; T1583-L1586 WeakPolarHBondContact O-CG 3.2Å; T1583-L1586 PolarHBondContact O-N 3.4Å; T1583-L1586 VanDerWaalsContact O-N 3.08Å; T1583-E1591 WeakPolarHBondContact CB-OE1 3.49Å; T1583-E1591 HydrophobicContact CG2-CG 3.96Å; T1583-E1591 PolarHBondContact OG1-OE1 3.01Å; T1583-L1594 HydrophobicContact CG2-CD2 4.46Å; T1583-I1595 HydrophobicContact CG2-CD1 4.1Å; T1583-I1595 HydrophobicContact CG2-CG1 3.69Å |
| 1584 | V | 71.1 | Confident | 80.4 | Confident | 56 Ų | 56 | 29.3 Ų | 29.3 | 34% | 0.339 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 131.1 | -171.1 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | Q1500 E1581 L1586 H1612 | Q1500-V1584 HydrophobicContact CG-CB 4.16Å; E1581-V1584 HydrophobicContact CB-CG2 3.8Å; E1581-V1584 WeakPolarHBondContact O-CG2 3.42Å; E1581-V1584 PolarHBondContact O-N 3.26Å; V1584-L1586 VanDerWaalsContact C-N 3.32Å; V1584-H1612 VanDerWaalsContact CG2-CE1 3.45Å; V1584-H1612 WeakPolarHBondContact CG2-CE1 3.4Å |
| 1585 | G | 67.2 | Low | 80.2 | Confident | 37 Ų | 37 | 29.4 Ų | 29.4 | 38% | 0.381 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 10.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1246 T1583 | K1246-G1585 WeakPolarHBondContact CD-O 3.49Å; K1246-G1585 WeakPolarHBondContact CE-O 3.34Å; K1246-G1585 WeakPolarHBondContact CG-O 3.32Å; T1583-G1585 PolarHBondContact O-N 2.8Å |
| 1586 | L | 72.1 | Confident | 80 | Confident | 23 Ų | 23 | 30.8 Ų | 30.8 | 12% | 0.12 | 19% | 0.188 | C | C | . | . | trans | -81.8 | 169.7 | 164.3 | -58.9 | -179.4 | 0 | 0 | 0 | 111 | T1583 V1584 T1590 E1591 L1594 | T1583-L1586 VanDerWaalsContact O-CB 3.29Å; T1583-L1586 WeakPolarHBondContact O-CB 3.43Å; T1583-L1586 VanDerWaalsContact O-CG 3.25Å; T1583-L1586 WeakPolarHBondContact O-CG 3.2Å; T1583-L1586 PolarHBondContact O-N 3.4Å; T1583-L1586 VanDerWaalsContact O-N 3.08Å; V1584-L1586 VanDerWaalsContact C-N 3.32Å; L1586-T1590 HydrophobicContact CD1-CG2 4.44Å; L1586-T1590 HydrophobicContact CD2-CG2 4.24Å; L1586-E1591 HydrophobicContact CB-CB 4.06Å; L1586-L1594 HydrophobicContact CD1-CB 4.35Å; L1586-L1594 HydrophobicContact CD1-CD2 3.49Å; L1586-L1594 VanDerWaalsContact CD1-CD2 3.49Å | ||
| 1587 | D | 71 | Confident | 79.8 | Confident | 38 Ų | 38 | 31 Ų | 31 | 20% | 0.203 | 19% | 0.189 | C | C | . | . | trans | -92 | 151.3 | 166.1 | 47.1 | 90.9 | 0 | 0 | 0 | 109.5 | T1245 K1246 V1589 T1590 E1591 | T1245-D1587 HydrophobicContact CG2-CB 4.05Å; K1246-D1587 IonicContact NZ-OD2 2.57Å; K1246-D1587 PolarHBondContact NZ-OD2 2.88Å; D1587-V1589 PolarHBondContact O-N 3.27Å; D1587-T1590 VanDerWaalsContact CG-OG1 3.26Å; D1587-T1590 PolarHBondContact O-N 3.28Å; D1587-T1590 VanDerWaalsContact OD1-CB 3.23Å; D1587-T1590 WeakPolarHBondContact OD1-CB 3.24Å; D1587-T1590 PolarHBondContact OD1-N 3.02Å; D1587-T1590 PolarHBondContact OD1-OG1 3.04Å; D1587-T1590 PolarHBondContact OD2-OG1 2.85Å; D1587-E1591 WeakPolarHBondContact O-CB 3.33Å; D1587-E1591 PolarHBondContact O-N 2.98Å | ||
| 1588 | P | 69.3 | Low | 79.5 | Confident | 89 Ų | 89 | 31.1 Ų | 31.1 | 58% | 0.578 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -57.3 | -20.8 | -171.2 | -30.3 | 36.7 | 0 | 0 | 0 | 116.2 | Q1592 | P1588-Q1592 VanDerWaalsContact O-CB 3.31Å; P1588-Q1592 WeakPolarHBondContact O-CB 3.14Å; P1588-Q1592 PolarHBondContact O-N 2.8Å; P1588-Q1592 VanDerWaalsContact O-N 3.12Å |
| 1589 | V | 73.6 | Confident | 79.1 | Confident | 117 Ų | 117 | 32.7 Ų | 32.7 | 71% | 0.709 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -81.2 | -49.1 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | D1587 E1591 Q1592 A1593 | D1587-V1589 PolarHBondContact O-N 3.27Å; V1589-E1591 VanDerWaalsContact C-N 3.3Å; V1589-E1591 PolarHBondContact O-N 3.42Å; V1589-Q1592 PolarHBondContact O-N 2.89Å; V1589-A1593 WeakPolarHBondContact O-CB 3.29Å; V1589-A1593 PolarHBondContact O-N 3.19Å |
| 1590 | T | 71.1 | Confident | 78.9 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.7 | -35.8 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | L1586 D1587 L1594 | L1586-T1590 HydrophobicContact CD1-CG2 4.44Å; L1586-T1590 HydrophobicContact CD2-CG2 4.24Å; D1587-T1590 VanDerWaalsContact CG-OG1 3.26Å; D1587-T1590 PolarHBondContact O-N 3.28Å; D1587-T1590 VanDerWaalsContact OD1-CB 3.23Å; D1587-T1590 WeakPolarHBondContact OD1-CB 3.24Å; D1587-T1590 PolarHBondContact OD1-N 3.02Å; D1587-T1590 PolarHBondContact OD1-OG1 3.04Å; D1587-T1590 PolarHBondContact OD2-OG1 2.85Å; T1590-L1594 WeakPolarHBondContact O-CB 3.36Å; T1590-L1594 PolarHBondContact O-N 3.35Å |
| 1591 | E | 76.1 | Confident | 78.9 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -56.3 | 172.3 | 171.5 | 160.4 | -138.4 | 0 | 0 | 111.7 | T1583 L1586 D1587 V1589 A1593 L1594 I1595 H1613 | T1583-E1591 WeakPolarHBondContact CB-OE1 3.49Å; T1583-E1591 HydrophobicContact CG2-CG 3.96Å; T1583-E1591 PolarHBondContact OG1-OE1 3.01Å; L1586-E1591 HydrophobicContact CB-CB 4.06Å; D1587-E1591 WeakPolarHBondContact O-CB 3.33Å; D1587-E1591 PolarHBondContact O-N 2.98Å; V1589-E1591 VanDerWaalsContact C-N 3.3Å; V1589-E1591 PolarHBondContact O-N 3.42Å; E1591-A1593 PolarHBondContact O-N 2.96Å; E1591-L1594 PolarHBondContact O-N 2.96Å; E1591-L1594 VanDerWaalsContact O-N 3.09Å; E1591-I1595 HydrophobicContact CG-CD1 3.7Å; E1591-I1595 HydrophobicContact CG-CG1 4.38Å; E1591-I1595 WeakPolarHBondContact O-CG1 3.12Å; E1591-I1595 PolarHBondContact O-N 3.31Å; E1591-H1613 IonicContact OE1-CD2 3.35Å |
| 1592 | Q | 77.8 | Confident | 79.1 | Confident | 64 Ų | 64 | 37.9 Ų | 37.9 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -36 | 179.3 | -173.7 | 63.6 | 74.3 | 0 | 0 | 111.9 | P1588 V1589 N1596 | P1588-Q1592 VanDerWaalsContact O-CB 3.31Å; P1588-Q1592 WeakPolarHBondContact O-CB 3.14Å; P1588-Q1592 PolarHBondContact O-N 2.8Å; P1588-Q1592 VanDerWaalsContact O-N 3.12Å; V1589-Q1592 PolarHBondContact O-N 2.89Å; Q1592-N1596 PolarHBondContact NE2-OD1 3.07Å; Q1592-N1596 WeakPolarHBondContact O-CB 3.26Å; Q1592-N1596 PolarHBondContact O-N 3.37Å; Q1592-N1596 PolarHBondContact O-ND2 3.07Å; Q1592-N1596 PolarHBondContact O-OD1 3.01Å |
| 1593 | A | 80.4 | Confident | 79.3 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 29% | 0.289 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1589 E1591 N1596 T1597 | V1589-A1593 WeakPolarHBondContact O-CB 3.29Å; V1589-A1593 PolarHBondContact O-N 3.19Å; E1591-A1593 PolarHBondContact O-N 2.96Å; A1593-N1596 WeakPolarHBondContact O-CB 3.25Å; A1593-N1596 PolarHBondContact O-N 3.07Å; A1593-T1597 PolarHBondContact O-N 3.32Å; A1593-T1597 PolarHBondContact O-OG1 2.78Å |
| 1594 | L | 83.2 | Confident | 79.6 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 178.7 | -177.6 | 67.5 | 0 | 0 | 0 | 112.7 | Q1562 R1563 T1583 L1586 T1590 E1591 N1596 T1597 F1598 | Q1562-L1594 HydrophobicContact CB-CD1 4.23Å; Q1562-L1594 HydrophobicContact CB-CD2 3.65Å; Q1562-L1594 HydrophobicContact CG-CD2 4.09Å; R1563-L1594 HydrophobicContact CG-CD1 4.05Å; T1583-L1594 HydrophobicContact CG2-CD2 4.46Å; L1586-L1594 HydrophobicContact CD1-CB 4.35Å; L1586-L1594 HydrophobicContact CD1-CD2 3.49Å; L1586-L1594 VanDerWaalsContact CD1-CD2 3.49Å; T1590-L1594 WeakPolarHBondContact O-CB 3.36Å; T1590-L1594 PolarHBondContact O-N 3.35Å; E1591-L1594 PolarHBondContact O-N 2.96Å; E1591-L1594 VanDerWaalsContact O-N 3.09Å; L1594-N1596 VanDerWaalsContact C-N 3.29Å; L1594-N1596 PolarHBondContact O-N 3.03Å; L1594-T1597 WeakPolarHBondContact O-CB 3.49Å; L1594-T1597 PolarHBondContact O-N 2.94Å; L1594-T1597 VanDerWaalsContact O-N 3.15Å; L1594-F1598 HydrophobicContact CD1-CD2 4.48Å; L1594-F1598 HydrophobicContact CD1-CE1 4.48Å; L1594-F1598 HydrophobicContact CD1-CE2 3.97Å; L1594-F1598 HydrophobicContact CD1-CZ 3.96Å; L1594-F1598 HydrophobicContact CD2-CE2 3.75Å; L1594-F1598 HydrophobicContact CD2-CZ 4.12Å; L1594-F1598 HydrophobicContact CG-CD2 3.99Å; L1594-F1598 HydrophobicContact CG-CE2 3.49Å; L1594-F1598 VanDerWaalsContact CG-CE2 3.49Å; L1594-F1598 HydrophobicContact CG-CZ 3.98Å; L1594-F1598 WeakPolarHBondContact O-CD2 3.23Å; L1594-F1598 PolarHBondContact O-N 2.73Å |
| 1595 | I | 84.2 | Confident | 80.5 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 173 | -69.1 | 170.5 | 0 | 0 | 0 | 110.2 | T1583 E1591 F1598 F1599 W1609 | T1583-I1595 HydrophobicContact CG2-CD1 4.1Å; T1583-I1595 HydrophobicContact CG2-CG1 3.69Å; E1591-I1595 HydrophobicContact CG-CD1 3.7Å; E1591-I1595 HydrophobicContact CG-CG1 4.38Å; E1591-I1595 WeakPolarHBondContact O-CG1 3.12Å; E1591-I1595 PolarHBondContact O-N 3.31Å; I1595-F1598 PolarHBondContact O-N 3.15Å; I1595-F1599 HydrophobicContact CG2-CD2 3.65Å; I1595-F1599 HydrophobicContact CG2-CE2 3.58Å; I1595-F1599 WeakPolarHBondContact O-CD2 3.33Å; I1595-F1599 PolarHBondContact O-N 2.99Å; I1595-W1609 HydrophobicContact CD1-CH2 4.44Å |
| 1596 | N | 85.6 | Confident | 81.6 | Confident | 79 Ų | 79 | 46.9 Ų | 46.9 | 42% | 0.422 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.8 | -66 | -7.9 | 0 | 0 | 0 | 111.7 | Q1592 A1593 L1594 F1599 N1600 | Q1592-N1596 PolarHBondContact NE2-OD1 3.07Å; Q1592-N1596 WeakPolarHBondContact O-CB 3.26Å; Q1592-N1596 PolarHBondContact O-N 3.37Å; Q1592-N1596 PolarHBondContact O-ND2 3.07Å; Q1592-N1596 PolarHBondContact O-OD1 3.01Å; A1593-N1596 WeakPolarHBondContact O-CB 3.25Å; A1593-N1596 PolarHBondContact O-N 3.07Å; L1594-N1596 VanDerWaalsContact C-N 3.29Å; L1594-N1596 PolarHBondContact O-N 3.03Å; N1596-F1599 PolarHBondContact O-N 3.38Å; N1596-N1600 VanDerWaalsContact O-CB 3.26Å; N1596-N1600 WeakPolarHBondContact O-CB 3.43Å; N1596-N1600 PolarHBondContact O-N 3.02Å; N1596-N1600 PolarHBondContact O-ND2 3.28Å |
| 1597 | T | 85.6 | Confident | 82.6 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 174.3 | -46 | 0 | 0 | 0 | 0 | 111 | L1566 A1593 L1594 F1599 N1600 E1601 | L1566-T1597 HydrophobicContact CD2-CG2 3.73Å; A1593-T1597 PolarHBondContact O-N 3.32Å; A1593-T1597 PolarHBondContact O-OG1 2.78Å; L1594-T1597 WeakPolarHBondContact O-CB 3.49Å; L1594-T1597 PolarHBondContact O-N 2.94Å; L1594-T1597 VanDerWaalsContact O-N 3.15Å; T1597-F1599 PolarHBondContact O-N 3.08Å; T1597-N1600 PolarHBondContact O-N 2.86Å; T1597-E1601 HydrophobicContact CG2-CG 4.22Å; T1597-E1601 WeakPolarHBondContact O-CB 3.44Å; T1597-E1601 WeakPolarHBondContact O-CG 3.39Å; T1597-E1601 PolarHBondContact O-N 3.43Å |
| 1598 | F | 86.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -50.5 | 176.1 | -72.2 | -48.2 | 0 | 0 | 0 | 112.1 | I1498 L1566 L1579 P1582 L1594 I1595 N1600 E1601 L1602 | I1498-F1598 HydrophobicContact CD1-CD1 4.27Å; I1498-F1598 HydrophobicContact CD1-CE1 3.48Å; I1498-F1598 VanDerWaalsContact CD1-CE1 3.48Å; I1498-F1598 HydrophobicContact CD1-CZ 4.19Å; I1498-F1598 HydrophobicContact CG2-CZ 4.35Å; L1566-F1598 HydrophobicContact CB-CE1 4Å; L1566-F1598 HydrophobicContact CD1-CD1 3.83Å; L1566-F1598 HydrophobicContact CD1-CE1 3.99Å; L1566-F1598 HydrophobicContact CD2-CD1 3.78Å; L1566-F1598 HydrophobicContact CD2-CE1 3.99Å; L1566-F1598 HydrophobicContact CG-CD1 4.26Å; L1566-F1598 HydrophobicContact CG-CE1 4.21Å; L1579-F1598 HydrophobicContact CD2-CD1 4.44Å; L1579-F1598 HydrophobicContact CD2-CE1 4.37Å; P1582-F1598 HydrophobicContact CB-CE2 3.8Å; P1582-F1598 HydrophobicContact CB-CZ 3.94Å; P1582-F1598 HydrophobicContact CG-CE2 3.84Å; P1582-F1598 HydrophobicContact CG-CZ 4.38Å; L1594-F1598 HydrophobicContact CD1-CD2 4.48Å; L1594-F1598 HydrophobicContact CD1-CE1 4.48Å; L1594-F1598 HydrophobicContact CD1-CE2 3.97Å; L1594-F1598 HydrophobicContact CD1-CZ 3.96Å; L1594-F1598 HydrophobicContact CD2-CE2 3.75Å; L1594-F1598 HydrophobicContact CD2-CZ 4.12Å; L1594-F1598 HydrophobicContact CG-CD2 3.99Å; L1594-F1598 HydrophobicContact CG-CE2 3.49Å; L1594-F1598 VanDerWaalsContact CG-CE2 3.49Å; L1594-F1598 HydrophobicContact CG-CZ 3.98Å; L1594-F1598 WeakPolarHBondContact O-CD2 3.23Å; L1594-F1598 PolarHBondContact O-N 2.73Å; I1595-F1598 PolarHBondContact O-N 3.15Å; F1598-N1600 VanDerWaalsContact C-N 3.31Å; F1598-N1600 PolarHBondContact O-N 3.02Å; F1598-E1601 PolarHBondContact O-N 2.8Å; F1598-L1602 HydrophobicContact CD1-CD1 4.38Å; F1598-L1602 VanDerWaalsContact O-CB 3.26Å; F1598-L1602 WeakPolarHBondContact O-CB 3.34Å; F1598-L1602 WeakPolarHBondContact O-CG 3.39Å; F1598-L1602 PolarHBondContact O-N 3.35Å; F1598-L1602 VanDerWaalsContact O-N 3.13Å |
| 1599 | F | 84.5 | Confident | 84.7 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.8 | -11.6 | -178 | -66.1 | -43.1 | 0 | 0 | 0 | 114.9 | I1595 N1596 T1597 Q1603 I1607 W1609 A1619 M1620 | I1595-F1599 HydrophobicContact CG2-CD2 3.65Å; I1595-F1599 HydrophobicContact CG2-CE2 3.58Å; I1595-F1599 WeakPolarHBondContact O-CD2 3.33Å; I1595-F1599 PolarHBondContact O-N 2.99Å; N1596-F1599 PolarHBondContact O-N 3.38Å; T1597-F1599 PolarHBondContact O-N 3.08Å; F1599-Q1603 WeakPolarHBondContact O-CG 3.25Å; F1599-I1607 HydrophobicContact CD1-CD1 4.05Å; F1599-I1607 HydrophobicContact CE1-CD1 4.1Å; F1599-W1609 HydrophobicContact CE2-CE3 4.43Å; F1599-W1609 HydrophobicContact CE2-CH2 4.16Å; F1599-W1609 AromaticContact CE2-CZ3 3.83Å; F1599-W1609 HydrophobicContact CE2-CZ3 3.83Å; F1599-W1609 HydrophobicContact CZ-CD2 4.41Å; F1599-W1609 AromaticContact CZ-CE3 3.68Å; F1599-W1609 HydrophobicContact CZ-CE3 3.68Å; F1599-W1609 HydrophobicContact CZ-CH2 4.16Å; F1599-W1609 AromaticContact CZ-CZ3 3.54Å; F1599-W1609 HydrophobicContact CZ-CZ3 3.54Å; F1599-A1619 HydrophobicContact CD2-CB 4.27Å; F1599-A1619 HydrophobicContact CE2-CB 4.27Å; F1599-M1620 HydrophobicContact CD1-CE 4.46Å; F1599-M1620 HydrophobicContact CE1-CE 3.44Å; F1599-M1620 VanDerWaalsContact CE1-CE 3.44Å; F1599-M1620 HydrophobicContact CE2-CE 4.49Å; F1599-M1620 HydrophobicContact CZ-CE 3.46Å; F1599-M1620 VanDerWaalsContact CZ-CE 3.46Å |
| 1600 | N | 87.2 | Confident | 85.4 | Confident | 97 Ų | 97 | 34.5 Ų | 34.5 | 52% | 0.519 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -86.3 | -42 | 169.2 | -73.4 | -24.3 | 0 | 0 | 0 | 112 | N1596 T1597 F1598 | N1596-N1600 VanDerWaalsContact O-CB 3.26Å; N1596-N1600 WeakPolarHBondContact O-CB 3.43Å; N1596-N1600 PolarHBondContact O-N 3.02Å; N1596-N1600 PolarHBondContact O-ND2 3.28Å; T1597-N1600 PolarHBondContact O-N 2.86Å; F1598-N1600 VanDerWaalsContact C-N 3.31Å; F1598-N1600 PolarHBondContact O-N 3.02Å |
| 1601 | E | 88.2 | Confident | 86.1 | Confident | 45 Ų | 45 | 32.4 Ų | 32.4 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -84.5 | -10.6 | -174.2 | -64.5 | -60.4 | 135.7 | 0 | 0 | 114.3 | R1531 L1570 T1597 F1598 | R1531-E1601 IonicContact CZ-OE2 2.78Å; R1531-E1601 IonicContact NE-OE2 2.8Å; R1531-E1601 PolarHBondContact NE-OE2 3.48Å; R1531-E1601 IonicContact NH2-OE2 3.5Å; R1531-E1601 PolarHBondContact NH2-OE2 3.34Å; L1570-E1601 HydrophobicContact CD1-CB 4.02Å; L1570-E1601 HydrophobicContact CD1-CG 4.21Å; L1570-E1601 HydrophobicContact CD2-CB 4.13Å; T1597-E1601 HydrophobicContact CG2-CG 4.22Å; T1597-E1601 WeakPolarHBondContact O-CB 3.44Å; T1597-E1601 WeakPolarHBondContact O-CG 3.39Å; T1597-E1601 PolarHBondContact O-N 3.43Å; F1598-E1601 PolarHBondContact O-N 2.8Å |
| 1602 | L | 87.9 | Confident | 86 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 21.8 | -176.2 | -52.5 | 174.1 | 0 | 0 | 0 | 113.6 | L1566 L1570 I1577 F1598 D1604 K1605 I1607 | L1566-L1602 HydrophobicContact CD1-CD1 4.33Å; L1566-L1602 HydrophobicContact CD1-CD2 4.37Å; L1566-L1602 HydrophobicContact CD1-CG 4.47Å; L1570-L1602 HydrophobicContact CD2-CD2 3.82Å; I1577-L1602 HydrophobicContact CB-CD1 4.47Å; I1577-L1602 HydrophobicContact CD1-CD2 4.41Å; I1577-L1602 HydrophobicContact CG1-CD1 4.16Å; I1577-L1602 HydrophobicContact CG1-CD2 4.06Å; I1577-L1602 HydrophobicContact CG2-CD1 4.14Å; F1598-L1602 HydrophobicContact CD1-CD1 4.38Å; F1598-L1602 VanDerWaalsContact O-CB 3.26Å; F1598-L1602 WeakPolarHBondContact O-CB 3.34Å; F1598-L1602 WeakPolarHBondContact O-CG 3.39Å; F1598-L1602 PolarHBondContact O-N 3.35Å; F1598-L1602 VanDerWaalsContact O-N 3.13Å; L1602-D1604 VanDerWaalsContact C-N 3.3Å; L1602-D1604 PolarHBondContact O-N 2.83Å; L1602-K1605 HydrophobicContact CB-CB 4.33Å; L1602-K1605 HydrophobicContact CB-CG 4.25Å; L1602-K1605 HydrophobicContact CD2-CG 4.26Å; L1602-K1605 PolarHBondContact O-N 3.44Å; L1602-K1605 VanDerWaalsContact O-N 3.08Å; L1602-I1607 HydrophobicContact CB-CD1 3.99Å |
| 1603 | Q | 84.4 | Confident | 85.8 | Confident | 123 Ų | 123 | 35.7 Ų | 35.7 | 58% | 0.575 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -40.7 | -173.1 | -72.2 | -176.4 | 3.8 | 0 | 0 | 113.8 | K1448 F1599 K1605 | K1448-Q1603 WeakPolarHBondContact CE-O 3.29Å; K1448-Q1603 PolarHBondContact NZ-O 3.09Å; F1599-Q1603 WeakPolarHBondContact O-CG 3.25Å; Q1603-K1605 VanDerWaalsContact C-N 3.32Å |
| 1604 | D | 84.5 | Confident | 85.5 | Confident | 116 Ų | 116 | 34.9 Ų | 34.9 | 62% | 0.62 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8.7 | -179.3 | 59.2 | -64.7 | 0 | 0 | 0 | 114.1 | L1602 | L1602-D1604 VanDerWaalsContact C-N 3.3Å; L1602-D1604 PolarHBondContact O-N 2.83Å |
| 1605 | K | 89.4 | Confident | 85.1 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -92.6 | 157.5 | -174.3 | -52.7 | -59.1 | -173.8 | 166.1 | 0 | 112.7 | K1448 E1573 V1574 I1577 L1602 Q1603 | K1448-K1605 PolarHBondContact NZ-O 3.47Å; E1573-K1605 PolarHBondContact O-NZ 2.98Å; V1574-K1605 VanDerWaalsContact O-CD 3.32Å; V1574-K1605 WeakPolarHBondContact O-CD 3.36Å; V1574-K1605 WeakPolarHBondContact O-CE 3.32Å; V1574-K1605 PolarHBondContact O-NZ 3.28Å; I1577-K1605 HydrophobicContact CG1-CB 4.07Å; I1577-K1605 HydrophobicContact CG1-CG 4.35Å; L1602-K1605 HydrophobicContact CB-CB 4.33Å; L1602-K1605 HydrophobicContact CB-CG 4.25Å; L1602-K1605 HydrophobicContact CD2-CG 4.26Å; L1602-K1605 PolarHBondContact O-N 3.44Å; L1602-K1605 VanDerWaalsContact O-N 3.08Å; Q1603-K1605 VanDerWaalsContact C-N 3.32Å |
| 1606 | T | 91.4 | Very high | 84.7 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.7 | 167.2 | -40.2 | 0 | 0 | 0 | 0 | 107.7 | L1443 G1446 E1447 P1575 I1576 I1577 | L1443-T1606 HydrophobicContact CD2-CG2 3.67Å; L1443-T1606 HydrophobicContact CG-CG2 3.9Å; G1446-T1606 PolarHBondContact N-OG1 2.67Å; E1447-T1606 VanDerWaalsContact O-CG2 3.28Å; E1447-T1606 WeakPolarHBondContact O-CG2 3.28Å; P1575-T1606 PolarHBondContact O-N 2.88Å; P1575-T1606 VanDerWaalsContact O-N 3.07Å; P1575-T1606 PolarHBondContact O-OG1 2.84Å; I1576-T1606 WeakPolarHBondContact CA-O 3.23Å; I1577-T1606 PolarHBondContact N-O 2.83Å |
| 1607 | I | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.4 | -173.2 | -55 | 179.3 | 0 | 0 | 0 | 110.4 | E1447 K1448 I1449 L1579 F1599 L1602 W1609 | E1447-I1607 PolarHBondContact O-N 3.43Å; K1448-I1607 WeakPolarHBondContact CA-O 3.45Å; K1448-I1607 HydrophobicContact CB-CB 4.39Å; K1448-I1607 HydrophobicContact CD-CD1 4.14Å; K1448-I1607 HydrophobicContact CG-CB 4.05Å; K1448-I1607 HydrophobicContact CG-CD1 4.25Å; K1448-I1607 HydrophobicContact CG-CG1 4.15Å; I1449-I1607 PolarHBondContact N-O 3.48Å; L1579-I1607 HydrophobicContact CD1-CG2 3.89Å; L1579-I1607 HydrophobicContact CG-CG2 4.33Å; F1599-I1607 HydrophobicContact CD1-CD1 4.05Å; F1599-I1607 HydrophobicContact CE1-CD1 4.1Å; L1602-I1607 HydrophobicContact CB-CD1 3.99Å; I1607-W1609 HydrophobicContact CG2-CB 4.36Å |
| 1608 | I | 92.4 | Very high | 84.4 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 106.5 | 170.1 | -55 | 175.2 | 0 | 0 | 0 | 107.1 | L1419 L1443 I1449 I1451 I1466 I1576 I1577 L1578 L1579 | L1419-I1608 HydrophobicContact CD2-CD1 3.74Å; L1443-I1608 HydrophobicContact CD2-CD1 3.86Å; L1443-I1608 HydrophobicContact CD2-CG1 3.54Å; I1449-I1608 HydrophobicContact CG2-CB 4.29Å; I1449-I1608 HydrophobicContact CG2-CG1 4.07Å; I1449-I1608 HydrophobicContact CG2-CG2 4.23Å; I1451-I1608 HydrophobicContact CD1-CG2 3.63Å; I1451-I1608 HydrophobicContact CG1-CG2 4.28Å; I1466-I1608 HydrophobicContact CD1-CD1 4.44Å; I1466-I1608 HydrophobicContact CG2-CD1 4.12Å; I1576-I1608 HydrophobicContact CG2-CD1 4.21Å; I1577-I1608 PolarHBondContact O-N 3.29Å; L1578-I1608 WeakPolarHBondContact CA-O 3.44Å; L1578-I1608 HydrophobicContact CD1-CB 3.92Å; L1578-I1608 HydrophobicContact CD1-CG2 3.68Å; L1579-I1608 PolarHBondContact N-O 2.88Å |
| 1609 | W | 91.6 | Very high | 84.3 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 107.4 | -175.7 | -174.7 | 20.8 | 0 | 0 | 0 | 111.5 | I1449 A1450 I1451 L1579 I1595 F1599 I1607 T1611 Q1615 I1617 M1620 | I1449-W1609 PolarHBondContact O-N 3.35Å; A1450-W1609 CarbonylContact C-O 3.46Å; A1450-W1609 VanDerWaalsContact CA-O 3.3Å; A1450-W1609 WeakPolarHBondContact CA-O 3.46Å; I1451-W1609 PolarHBondContact N-O 2.96Å; L1579-W1609 HydrophobicContact CB-CB 4.46Å; L1579-W1609 HydrophobicContact CB-CG 4.35Å; I1595-W1609 HydrophobicContact CD1-CH2 4.44Å; F1599-W1609 HydrophobicContact CE2-CE3 4.43Å; F1599-W1609 HydrophobicContact CE2-CH2 4.16Å; F1599-W1609 AromaticContact CE2-CZ3 3.83Å; F1599-W1609 HydrophobicContact CE2-CZ3 3.83Å; F1599-W1609 HydrophobicContact CZ-CD2 4.41Å; F1599-W1609 AromaticContact CZ-CE3 3.68Å; F1599-W1609 HydrophobicContact CZ-CE3 3.68Å; F1599-W1609 HydrophobicContact CZ-CH2 4.16Å; F1599-W1609 AromaticContact CZ-CZ3 3.54Å; F1599-W1609 HydrophobicContact CZ-CZ3 3.54Å; I1607-W1609 HydrophobicContact CG2-CB 4.36Å; W1609-T1611 HydrophobicContact CD2-CG2 4.16Å; W1609-T1611 HydrophobicContact CE3-CG2 4.49Å; W1609-Q1615 VanDerWaalsContact CH2-O 3.26Å; W1609-Q1615 WeakPolarHBondContact CH2-O 3.25Å; W1609-I1617 HydrophobicContact CZ3-CG1 4.3Å; W1609-M1620 HydrophobicContact CB-SD 4.5Å; W1609-M1620 HydrophobicContact CE3-CE 4.25Å; W1609-M1620 HydrophobicContact CE3-SD 3.99Å |
| 1610 | I | 90 | Very high | 84.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125 | 168.1 | -59.9 | 175.2 | 0 | 0 | 0 | 107.8 | I1451 K1459 A1463 L1578 L1579 D1580 E1581 | I1451-I1610 HydrophobicContact CB-CG1 4.06Å; I1451-I1610 HydrophobicContact CD1-CG1 4.25Å; I1451-I1610 HydrophobicContact CG1-CG1 4.46Å; K1459-I1610 HydrophobicContact CB-CD1 4.47Å; K1459-I1610 HydrophobicContact CB-CG2 3.77Å; K1459-I1610 HydrophobicContact CD-CG2 3.95Å; K1459-I1610 HydrophobicContact CG-CG2 4.48Å; A1463-I1610 HydrophobicContact CB-CD1 3.6Å; L1578-I1610 HydrophobicContact CD1-CD1 4.34Å; L1579-I1610 PolarHBondContact O-N 3.29Å; D1580-I1610 WeakPolarHBondContact OD1-CD1 3.43Å; D1580-I1610 WeakPolarHBondContact OD1-CG2 3.28Å; E1581-I1610 WeakPolarHBondContact CA-O 3.03Å; E1581-I1610 HydrophobicContact CG-CG2 4Å; E1581-I1610 PolarHBondContact N-O 3.49Å |
| 1611 | T | 84.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | trans | -150.9 | 162.2 | 179.5 | -177 | 0 | 0 | 0 | 0 | 111.2 | I1451 L1452 W1609 H1613 I1617 | I1451-T1611 PolarHBondContact O-N 2.93Å; L1452-T1611 HydrophobicContact CD2-CG2 3.65Å; L1452-T1611 WeakPolarHBondContact CD2-O 3.19Å; W1609-T1611 HydrophobicContact CD2-CG2 4.16Å; W1609-T1611 HydrophobicContact CE3-CG2 4.49Å; T1611-H1613 WeakPolarHBondContact CG2-O 3.43Å; T1611-H1613 PolarHBondContact OG1-N 3.41Å; T1611-H1613 VanDerWaalsContact OG1-N 3.1Å; T1611-H1613 PolarHBondContact OG1-O 3.05Å; T1611-H1613 VanDerWaalsContact OG1-O 3.08Å; T1611-I1617 HydrophobicContact CG2-CD1 4.26Å | ||
| 1612 | H | 74.8 | Confident | 84.6 | Confident | 83 Ų | 83 | 41.3 Ų | 41.3 | 38% | 0.384 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -118.3 | -8.8 | 166.1 | 54.4 | -105 | 0 | 0 | 0 | 113.3 | E1581 V1584 | E1581-H1612 IonicContact OE1-CE1 3.72Å; E1581-H1612 IonicContact OE1-CG 2.74Å; E1581-H1612 IonicContact OE1-ND1 2.73Å; E1581-H1612 PolarHBondContact OE1-ND1 2.97Å; E1581-H1612 IonicContact OE2-CE1 3.38Å; E1581-H1612 PolarHBondContact OE2-CE1 3.33Å; E1581-H1612 IonicContact OE2-ND1 3.2Å; E1581-H1612 PolarHBondContact OE2-ND1 3.05Å; V1584-H1612 VanDerWaalsContact CG2-CE1 3.45Å; V1584-H1612 WeakPolarHBondContact CG2-CE1 3.4Å |
| 1613 | H | 73.2 | Confident | 84.7 | Confident | 63 Ų | 63 | 41.3 Ų | 41.3 | 29% | 0.292 | 22% | 0.215 | S | C | . | . | trans | -90.8 | 144 | 169.8 | -65.1 | -64.1 | 0 | 0 | 0 | 110.4 | E1591 T1611 | E1591-H1613 IonicContact OE1-CD2 3.35Å; T1611-H1613 WeakPolarHBondContact CG2-O 3.43Å; T1611-H1613 PolarHBondContact OG1-N 3.41Å; T1611-H1613 VanDerWaalsContact OG1-N 3.1Å; T1611-H1613 PolarHBondContact OG1-O 3.05Å; T1611-H1613 VanDerWaalsContact OG1-O 3.08Å | ||
| 1614 | L | 74.5 | Confident | 85 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 9% | 0.094 | 19% | 0.188 | C | C | . | . | trans | -92.2 | -10.8 | 177.9 | -54.3 | 177.9 | 0 | 0 | 0 | 113.5 | L1452 G1616 I1617 L1650 K1651 D1654 | L1452-L1614 HydrophobicContact CD1-CD2 3.54Å; L1452-L1614 HydrophobicContact CD2-CD2 4.18Å; L1614-G1616 PolarHBondContact O-N 3.19Å; L1614-I1617 HydrophobicContact CB-CD1 4.21Å; L1614-I1617 HydrophobicContact CD2-CD1 3.6Å; L1614-I1617 WeakPolarHBondContact O-CB 3.42Å; L1614-I1617 WeakPolarHBondContact O-CG1 3.38Å; L1614-I1617 PolarHBondContact O-N 3.27Å; L1614-I1617 VanDerWaalsContact O-N 3.1Å; L1614-L1650 HydrophobicContact CD1-CB 3.79Å; L1614-K1651 VanDerWaalsContact CD1-CA 3.49Å; L1614-K1651 HydrophobicContact CD1-CB 4.16Å; L1614-K1651 VanDerWaalsContact CD1-N 3.33Å; L1614-D1654 HydrophobicContact CB-CB 4.11Å; L1614-D1654 HydrophobicContact CD1-CB 3.93Å; L1614-D1654 HydrophobicContact CG-CB 4.12Å; L1614-D1654 PolarHBondContact N-OD1 2.94Å | ||
| 1615 | Q | 74.5 | Confident | 85.2 | Confident | 64 Ų | 64 | 30.6 Ų | 30.6 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 124.3 | 174.8 | -169.1 | 166.7 | -13.6 | 0 | 0 | 110.8 | W1609 | W1609-Q1615 VanDerWaalsContact CH2-O 3.26Å; W1609-Q1615 WeakPolarHBondContact CH2-O 3.25Å |
| 1616 | G | 76.6 | Confident | 85.1 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 24% | 0.237 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -9.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1614 E1618 A1619 | L1614-G1616 PolarHBondContact O-N 3.19Å; G1616-E1618 PolarHBondContact O-N 3.36Å; G1616-E1618 VanDerWaalsContact O-N 3.15Å; G1616-A1619 PolarHBondContact O-N 3.35Å; G1616-A1619 VanDerWaalsContact O-N 3.14Å |
| 1617 | I | 83.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -64.5 | -20.1 | -178.6 | -70.4 | -174.5 | 0 | 0 | 0 | 113.5 | A1450 L1452 W1609 T1611 L1614 A1619 M1620 V1623 P1637 | A1450-I1617 HydrophobicContact CB-CD1 4.21Å; A1450-I1617 HydrophobicContact CB-CG1 4.24Å; L1452-I1617 HydrophobicContact CD1-CD1 4.06Å; L1452-I1617 HydrophobicContact CD2-CD1 3.77Å; L1452-I1617 HydrophobicContact CG-CD1 4.32Å; W1609-I1617 HydrophobicContact CZ3-CG1 4.3Å; T1611-I1617 HydrophobicContact CG2-CD1 4.26Å; L1614-I1617 HydrophobicContact CB-CD1 4.21Å; L1614-I1617 HydrophobicContact CD2-CD1 3.6Å; L1614-I1617 WeakPolarHBondContact O-CB 3.42Å; L1614-I1617 WeakPolarHBondContact O-CG1 3.38Å; L1614-I1617 PolarHBondContact O-N 3.27Å; L1614-I1617 VanDerWaalsContact O-N 3.1Å; I1617-A1619 PolarHBondContact O-N 2.88Å; I1617-M1620 HydrophobicContact CG2-CG 4.4Å; I1617-M1620 WeakPolarHBondContact O-CB 3.23Å; I1617-M1620 WeakPolarHBondContact O-CG 3.31Å; I1617-M1620 PolarHBondContact O-N 3.11Å; I1617-V1623 HydrophobicContact CG2-CG2 3.45Å; I1617-V1623 VanDerWaalsContact CG2-CG2 3.45Å; I1617-P1637 HydrophobicContact CG2-CB 4.4Å; I1617-P1637 HydrophobicContact CG2-CG 4.04Å; I1617-P1637 VanDerWaalsContact O-CG 3.28Å; I1617-P1637 WeakPolarHBondContact O-CG 3.32Å |
| 1618 | E | 81.7 | Confident | 84.1 | Confident | 145 Ų | 145 | 35.4 Ų | 35.4 | 68% | 0.678 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -64.4 | -8.3 | 175.3 | -58 | -171.5 | 161 | 0 | 0 | 113.5 | G1616 K1651 | G1616-E1618 PolarHBondContact O-N 3.36Å; G1616-E1618 VanDerWaalsContact O-N 3.15Å; E1618-K1651 WeakPolarHBondContact OE1-CE 3.48Å; E1618-K1651 IonicContact OE1-NZ 3.98Å; E1618-K1651 PolarHBondContact OE1-NZ 2.79Å |
| 1619 | A | 83.2 | Confident | 83.5 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -92.7 | 2.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1599 G1616 I1617 | F1599-A1619 HydrophobicContact CD2-CB 4.27Å; F1599-A1619 HydrophobicContact CE2-CB 4.27Å; G1616-A1619 PolarHBondContact O-N 3.35Å; G1616-A1619 VanDerWaalsContact O-N 3.14Å; I1617-A1619 PolarHBondContact O-N 2.88Å |
| 1620 | M | 88 | Confident | 83.2 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | trans | -95.2 | 141 | -178.9 | -57.7 | -73.4 | 94 | 0 | 0 | 112.3 | K1448 A1450 F1599 W1609 I1617 P1637 | K1448-M1620 HydrophobicContact CB-CE 3.83Å; K1448-M1620 HydrophobicContact CB-SD 4.23Å; A1450-M1620 HydrophobicContact CB-CG 3.78Å; A1450-M1620 HydrophobicContact CB-SD 4.02Å; F1599-M1620 HydrophobicContact CD1-CE 4.46Å; F1599-M1620 HydrophobicContact CE1-CE 3.44Å; F1599-M1620 VanDerWaalsContact CE1-CE 3.44Å; F1599-M1620 HydrophobicContact CE2-CE 4.49Å; F1599-M1620 HydrophobicContact CZ-CE 3.46Å; F1599-M1620 VanDerWaalsContact CZ-CE 3.46Å; W1609-M1620 HydrophobicContact CB-SD 4.5Å; W1609-M1620 HydrophobicContact CE3-CE 4.25Å; W1609-M1620 HydrophobicContact CE3-SD 3.99Å; I1617-M1620 HydrophobicContact CG2-CG 4.4Å; I1617-M1620 WeakPolarHBondContact O-CB 3.23Å; I1617-M1620 WeakPolarHBondContact O-CG 3.31Å; I1617-M1620 PolarHBondContact O-N 3.11Å; M1620-P1637 HydrophobicContact CB-CG 4.42Å; M1620-P1637 WeakPolarHBondContact O-CD 3.48Å; M1620-P1637 WeakPolarHBondContact O-CG 3.35Å | ||
| 1621 | D | 89.4 | Confident | 83 | Confident | 84 Ų | 84 | 42 Ų | 42 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -72.6 | -37.6 | 171.1 | -59.5 | -67 | 0 | 0 | 0 | 111.2 | E1447 K1448 S1636 | E1447-D1621 HydrophobicContact CG-CB 4.04Å; K1448-D1621 PolarHBondContact N-OD2 3.46Å; K1448-D1621 PolarHBondContact O-N 3.44Å; D1621-S1636 WeakPolarHBondContact O-CA 3.43Å; D1621-S1636 VanDerWaalsContact O-CB 3.3Å; D1621-S1636 WeakPolarHBondContact O-CB 3.33Å |
| 1622 | Q | 90.3 | Very high | 83 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 13% | 0.131 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.1 | 178.4 | -66.6 | -166.7 | 52.6 | 0 | 0 | 112.6 | E1447 K1448 I1449 A1450 | E1447-Q1622 PolarHBondContact OE1-NE2 2.76Å; K1448-Q1622 PolarHBondContact O-N 3.41Å; K1448-Q1622 VanDerWaalsContact O-N 3.15Å; I1449-Q1622 WeakPolarHBondContact CA-O 3.43Å; I1449-Q1622 HydrophobicContact CD1-CB 4.5Å; I1449-Q1622 HydrophobicContact CG1-CB 4.11Å; A1450-Q1622 PolarHBondContact N-O 3.09Å |
| 1623 | V | 89.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.2 | 169.9 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | A1450 L1452 I1617 Q1634 G1635 P1637 L1640 Y1647 | A1450-V1623 HydrophobicContact CB-CG1 4.26Å; A1450-V1623 HydrophobicContact CB-CG2 4.5Å; A1450-V1623 WeakPolarHBondContact O-CA 3.36Å; L1452-V1623 HydrophobicContact CD1-CG1 3.48Å; L1452-V1623 VanDerWaalsContact CD1-CG1 3.48Å; L1452-V1623 HydrophobicContact CG-CG1 3.86Å; I1617-V1623 HydrophobicContact CG2-CG2 3.45Å; I1617-V1623 VanDerWaalsContact CG2-CG2 3.45Å; V1623-Q1634 WeakPolarHBondContact O-CA 3.38Å; V1623-G1635 PolarHBondContact N-O 3.1Å; V1623-G1635 PolarHBondContact O-N 2.78Å; V1623-P1637 HydrophobicContact CG2-CG 3.8Å; V1623-L1640 HydrophobicContact CB-CD1 3.8Å; V1623-L1640 HydrophobicContact CG1-CD1 4.47Å; V1623-L1640 HydrophobicContact CG2-CD1 4.44Å; V1623-Y1647 HydrophobicContact CG1-CE2 4.45Å |
| 1624 | I | 90 | Very high | 84.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.7 | 170.8 | 59.6 | 171.6 | 0 | 0 | 0 | 111 | L1441 I1449 A1450 I1451 L1452 L1631 M1633 Q1634 | L1441-I1624 HydrophobicContact CD2-CD1 4.23Å; I1449-I1624 HydrophobicContact CD1-CD1 4.03Å; I1449-I1624 HydrophobicContact CD1-CG1 4.08Å; I1449-I1624 HydrophobicContact CD1-CG2 4.09Å; I1449-I1624 HydrophobicContact CG1-CG1 4.46Å; A1450-I1624 PolarHBondContact O-N 3.21Å; I1451-I1624 HydrophobicContact CB-CD1 4.4Å; I1451-I1624 HydrophobicContact CB-CG1 4.2Å; I1451-I1624 HydrophobicContact CD1-CD1 4.21Å; I1451-I1624 HydrophobicContact CG1-CD1 3.91Å; I1451-I1624 HydrophobicContact CG1-CG1 3.99Å; I1451-I1624 HydrophobicContact CG2-CD1 4.1Å; I1451-I1624 HydrophobicContact CG2-CG1 4.14Å; L1452-I1624 WeakPolarHBondContact CB-O 3.28Å; L1452-I1624 PolarHBondContact N-O 3.22Å; I1624-L1631 HydrophobicContact CB-CD2 3.98Å; I1624-L1631 HydrophobicContact CD1-CD2 3.93Å; I1624-L1631 HydrophobicContact CG1-CD2 4.45Å; I1624-L1631 HydrophobicContact CG2-CD2 4.35Å; I1624-M1633 VanDerWaalsContact CA-O 3.28Å; I1624-M1633 WeakPolarHBondContact CA-O 3.09Å; I1624-Q1634 HydrophobicContact CG2-CB 4.03Å; I1624-Q1634 HydrophobicContact CG2-CG 3.81Å |
| 1625 | F | 88.5 | Confident | 84.7 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.9 | 173.5 | -161.9 | -84.5 | 0 | 0 | 0 | 110.1 | L1452 E1627 T1632 M1633 H1646 L1650 | L1452-F1625 HydrophobicContact CB-CB 4.44Å; L1452-F1625 HydrophobicContact CB-CD2 3.46Å; L1452-F1625 VanDerWaalsContact CB-CD2 3.46Å; L1452-F1625 HydrophobicContact CB-CE2 4.08Å; L1452-F1625 HydrophobicContact CB-CG 4.25Å; L1452-F1625 HydrophobicContact CD1-CD2 4.32Å; L1452-F1625 WeakPolarHBondContact O-CA 3.24Å; F1625-E1627 HydrophobicContact CD1-CB 4.21Å; F1625-E1627 HydrophobicContact CE1-CB 4.03Å; F1625-E1627 HydrophobicContact CE1-CG 4.5Å; F1625-T1632 WeakPolarHBondContact CD1-OG1 3.22Å; F1625-T1632 PolarHBondContact O-N 3.38Å; F1625-M1633 HydrophobicContact CB-CB 3.55Å; F1625-M1633 HydrophobicContact CB-CE 4.25Å; F1625-M1633 HydrophobicContact CB-SD 4.46Å; F1625-M1633 HydrophobicContact CG-CE 4.49Å; F1625-M1633 PolarHBondContact N-O 3.16Å; F1625-H1646 AromaticContact CZ-NE2 3.87Å; F1625-L1650 HydrophobicContact CD2-CD1 4.02Å; F1625-L1650 HydrophobicContact CE2-CD1 3.51Å; F1625-L1650 HydrophobicContact CZ-CD1 4.29Å |
| 1626 | I | 87.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.5 | 177.6 | -52.2 | 175.4 | 0 | 0 | 0 | 109.1 | L1436 I1451 L1452 G1453 S1457 L1462 H1630 L1631 | L1436-I1626 HydrophobicContact CD2-CG2 4.41Å; I1451-I1626 HydrophobicContact CG2-CD1 3.8Å; I1451-I1626 HydrophobicContact CG2-CG1 4.38Å; L1452-I1626 PolarHBondContact O-N 3.2Å; G1453-I1626 WeakPolarHBondContact CA-O 3.21Å; S1457-I1626 WeakPolarHBondContact CB-O 3.21Å; S1457-I1626 VanDerWaalsContact O-CG2 3.26Å; S1457-I1626 WeakPolarHBondContact O-CG2 3.1Å; S1457-I1626 PolarHBondContact OG-O 3.03Å; L1462-I1626 HydrophobicContact CD2-CD1 3.81Å; I1626-H1630 WeakPolarHBondContact CA-O 3.37Å; I1626-L1631 HydrophobicContact CG1-CD2 4.07Å |
| 1627 | E | 83.7 | Confident | 85.8 | Confident | 42 Ų | 42 | 41.1 Ų | 41.1 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.5 | 175.4 | -164.1 | 162.2 | -138 | 0 | 0 | 109.8 | R1454 F1625 G1629 H1630 T1632 | R1454-E1627 IonicContact CZ-OE1 3.5Å; R1454-E1627 IonicContact NE-OE1 2.83Å; R1454-E1627 PolarHBondContact NE-OE1 3.47Å; R1454-E1627 IonicContact NH2-OE1 2.71Å; R1454-E1627 PolarHBondContact NH2-OE1 2.89Å; F1625-E1627 HydrophobicContact CD1-CB 4.21Å; F1625-E1627 HydrophobicContact CE1-CB 4.03Å; F1625-E1627 HydrophobicContact CE1-CG 4.5Å; E1627-G1629 PolarHBondContact O-N 2.85Å; E1627-G1629 VanDerWaalsContact O-N 3.1Å; E1627-H1630 PolarHBondContact N-O 3.36Å; E1627-H1630 PolarHBondContact O-N 2.73Å; E1627-T1632 HydrophobicContact CB-CG2 3.88Å |
| 1628 | D | 78.3 | Confident | 85.9 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 57% | 0.567 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 41.2 | 44 | -171.1 | -85.2 | -60.1 | 0 | 0 | 0 | 114.5 | K1433 H1630 | K1433-D1628 IonicContact NZ-OD1 3.56Å; K1433-D1628 PolarHBondContact NZ-OD1 3.48Å; D1628-H1630 VanDerWaalsContact C-N 3.29Å; D1628-H1630 PolarHBondContact O-N 3.11Å; D1628-H1630 PolarHBondContact O-ND1 3.2Å |
| 1629 | G | 80.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | V1435 L1436 S1437 I1439 S1457 E1627 | V1435-G1629 WeakPolarHBondContact O-CA 3.38Å; L1436-G1629 CarbonylContact C-O 3.58Å; L1436-G1629 WeakPolarHBondContact CA-O 3.48Å; S1437-G1629 PolarHBondContact N-O 3.48Å; I1439-G1629 WeakPolarHBondContact CD1-O 3.43Å; S1457-G1629 PolarHBondContact O-N 3.06Å; E1627-G1629 PolarHBondContact O-N 2.85Å; E1627-G1629 VanDerWaalsContact O-N 3.1Å |
| 1630 | H | 85.2 | Confident | 86.3 | Confident | 97 Ų | 97 | 41.2 Ų | 41.2 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.1 | 179.1 | -60.9 | 76.7 | 0 | 0 | 0 | 111.1 | S1437 I1626 E1627 D1628 T1632 | S1437-H1630 PolarHBondContact O-CD2 3.33Å; I1626-H1630 WeakPolarHBondContact CA-O 3.37Å; E1627-H1630 PolarHBondContact N-O 3.36Å; E1627-H1630 PolarHBondContact O-N 2.73Å; D1628-H1630 VanDerWaalsContact C-N 3.29Å; D1628-H1630 PolarHBondContact O-N 3.11Å; D1628-H1630 PolarHBondContact O-ND1 3.2Å; H1630-T1632 PolarHBondContact O-N 3.05Å |
| 1631 | L | 85.2 | Confident | 86.1 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 109.6 | 169.1 | -69.4 | 169 | 0 | 0 | 0 | 109.7 | I1439 D1440 I1624 I1626 | I1439-L1631 HydrophobicContact CD1-CG 4Å; I1439-L1631 HydrophobicContact CG2-CD1 4.14Å; I1439-L1631 HydrophobicContact CG2-CG 4.46Å; D1440-L1631 WeakPolarHBondContact O-CD1 3.22Å; I1624-L1631 HydrophobicContact CB-CD2 3.98Å; I1624-L1631 HydrophobicContact CD1-CD2 3.93Å; I1624-L1631 HydrophobicContact CG1-CD2 4.45Å; I1624-L1631 HydrophobicContact CG2-CD2 4.35Å; I1626-L1631 HydrophobicContact CG1-CD2 4.07Å |
| 1632 | T | 84.7 | Confident | 85.8 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 45% | 0.454 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -8.4 | 178.1 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | F1625 E1627 H1630 | F1625-T1632 WeakPolarHBondContact CD1-OG1 3.22Å; F1625-T1632 PolarHBondContact O-N 3.38Å; E1627-T1632 HydrophobicContact CB-CG2 3.88Å; H1630-T1632 PolarHBondContact O-N 3.05Å |
| 1633 | M | 84 | Confident | 85.5 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 138.7 | -179.9 | -165.2 | -177.2 | -51 | 0 | 0 | 110.6 | I1624 F1625 L1640 H1646 Y1647 | I1624-M1633 VanDerWaalsContact CA-O 3.28Å; I1624-M1633 WeakPolarHBondContact CA-O 3.09Å; F1625-M1633 HydrophobicContact CB-CB 3.55Å; F1625-M1633 HydrophobicContact CB-CE 4.25Å; F1625-M1633 HydrophobicContact CB-SD 4.46Å; F1625-M1633 HydrophobicContact CG-CE 4.49Å; F1625-M1633 PolarHBondContact N-O 3.16Å; M1633-L1640 HydrophobicContact CG-CD1 4.06Å; M1633-L1640 HydrophobicContact CG-CD2 3.49Å; M1633-L1640 VanDerWaalsContact CG-CD2 3.49Å; M1633-L1640 HydrophobicContact CG-CG 4.4Å; M1633-L1640 HydrophobicContact SD-CD1 3.91Å; M1633-L1640 HydrophobicContact SD-CD2 3.97Å; M1633-L1640 HydrophobicContact SD-CG 4.42Å; M1633-H1646 HydrophobicContact CE-CB 4.13Å; M1633-Y1647 HydrophobicContact SD-CD2 3.82Å; M1633-Y1647 HydrophobicContact SD-CG 4.17Å |
| 1634 | Q | 87.7 | Confident | 85.2 | Confident | 95 Ų | 95 | 52.4 Ų | 52.4 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 141.7 | 167.5 | -178.3 | 172.6 | 14 | 0 | 0 | 109.7 | V1623 I1624 | V1623-Q1634 WeakPolarHBondContact O-CA 3.38Å; I1624-Q1634 HydrophobicContact CG2-CB 4.03Å; I1624-Q1634 HydrophobicContact CG2-CG 3.81Å |
| 1635 | G | 86.8 | Confident | 84.9 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | V1623 L1640 | V1623-G1635 PolarHBondContact N-O 3.1Å; V1623-G1635 PolarHBondContact O-N 2.78Å; G1635-L1640 WeakPolarHBondContact O-CD1 3.36Å |
| 1636 | S | 88.6 | Confident | 84.5 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | trans | -70.5 | 156.4 | 170 | 68 | 0 | 0 | 0 | 0 | 111.3 | D1621 S1638 E1639 L1640 | D1621-S1636 WeakPolarHBondContact O-CA 3.43Å; D1621-S1636 VanDerWaalsContact O-CB 3.3Å; D1621-S1636 WeakPolarHBondContact O-CB 3.33Å; S1636-S1638 PolarHBondContact O-N 3.25Å; S1636-E1639 VanDerWaalsContact CB-OE2 3.28Å; S1636-E1639 WeakPolarHBondContact CB-OE2 3.32Å; S1636-E1639 PolarHBondContact N-OE2 3.38Å; S1636-E1639 PolarHBondContact O-N 2.83Å; S1636-E1639 VanDerWaalsContact O-N 3.08Å; S1636-E1639 WeakPolarHBondContact OG-CB 3.35Å; S1636-E1639 VanDerWaalsContact OG-CD 3.23Å; S1636-E1639 VanDerWaalsContact OG-CG 3.23Å; S1636-E1639 WeakPolarHBondContact OG-CG 3.34Å; S1636-E1639 PolarHBondContact OG-N 3.21Å; S1636-E1639 PolarHBondContact OG-OE2 3.02Å; S1636-L1640 WeakPolarHBondContact O-CG 3.48Å; S1636-L1640 PolarHBondContact O-N 3.28Å | ||
| 1637 | P | 85.5 | Confident | 84.4 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 8% | 0.078 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.9 | -40.3 | 179.1 | -25.7 | 32.2 | 0 | 0 | 0 | 113.3 | I1617 M1620 V1623 E1641 | I1617-P1637 HydrophobicContact CG2-CB 4.4Å; I1617-P1637 HydrophobicContact CG2-CG 4.04Å; I1617-P1637 VanDerWaalsContact O-CG 3.28Å; I1617-P1637 WeakPolarHBondContact O-CG 3.32Å; M1620-P1637 HydrophobicContact CB-CG 4.42Å; M1620-P1637 WeakPolarHBondContact O-CD 3.48Å; M1620-P1637 WeakPolarHBondContact O-CG 3.35Å; V1623-P1637 HydrophobicContact CG2-CG 3.8Å; P1637-E1641 WeakPolarHBondContact O-CB 3.47Å; P1637-E1641 PolarHBondContact O-N 2.69Å |
| 1638 | S | 84.8 | Confident | 84.4 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -71.1 | -33.5 | 179.5 | -74.1 | 0 | 0 | 0 | 0 | 113.8 | S1636 Q1642 | S1636-S1638 PolarHBondContact O-N 3.25Å; S1638-Q1642 WeakPolarHBondContact O-CG 3.49Å; S1638-Q1642 PolarHBondContact O-N 2.84Å; S1638-Q1642 PolarHBondContact O-NE2 2.8Å |
| 1639 | E | 87 | Confident | 84.5 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.6 | -39.4 | 175.3 | -71.9 | 165.9 | 132.2 | 0 | 0 | 111.2 | S1636 Q1642 S1643 | S1636-E1639 VanDerWaalsContact CB-OE2 3.28Å; S1636-E1639 WeakPolarHBondContact CB-OE2 3.32Å; S1636-E1639 PolarHBondContact N-OE2 3.38Å; S1636-E1639 PolarHBondContact O-N 2.83Å; S1636-E1639 VanDerWaalsContact O-N 3.08Å; S1636-E1639 WeakPolarHBondContact OG-CB 3.35Å; S1636-E1639 VanDerWaalsContact OG-CD 3.23Å; S1636-E1639 VanDerWaalsContact OG-CG 3.23Å; S1636-E1639 WeakPolarHBondContact OG-CG 3.34Å; S1636-E1639 PolarHBondContact OG-N 3.21Å; S1636-E1639 PolarHBondContact OG-OE2 3.02Å; E1639-Q1642 PolarHBondContact O-N 2.85Å; E1639-S1643 VanDerWaalsContact O-CB 3.27Å; E1639-S1643 WeakPolarHBondContact O-CB 3.17Å; E1639-S1643 PolarHBondContact O-N 2.96Å; E1639-S1643 PolarHBondContact O-OG 2.98Å |
| 1640 | L | 86.3 | Confident | 84.4 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 178.4 | -69 | 175.1 | 0 | 0 | 0 | 112.1 | V1623 M1633 G1635 S1636 Q1642 S1643 N1644 Y1647 | V1623-L1640 HydrophobicContact CB-CD1 3.8Å; V1623-L1640 HydrophobicContact CG1-CD1 4.47Å; V1623-L1640 HydrophobicContact CG2-CD1 4.44Å; M1633-L1640 HydrophobicContact CG-CD1 4.06Å; M1633-L1640 HydrophobicContact CG-CD2 3.49Å; M1633-L1640 VanDerWaalsContact CG-CD2 3.49Å; M1633-L1640 HydrophobicContact CG-CG 4.4Å; M1633-L1640 HydrophobicContact SD-CD1 3.91Å; M1633-L1640 HydrophobicContact SD-CD2 3.97Å; M1633-L1640 HydrophobicContact SD-CG 4.42Å; G1635-L1640 WeakPolarHBondContact O-CD1 3.36Å; S1636-L1640 WeakPolarHBondContact O-CG 3.48Å; S1636-L1640 PolarHBondContact O-N 3.28Å; L1640-Q1642 VanDerWaalsContact C-N 3.25Å; L1640-Q1642 PolarHBondContact O-N 2.82Å; L1640-S1643 PolarHBondContact O-N 3.45Å; L1640-N1644 WeakPolarHBondContact O-CA 3.31Å; L1640-N1644 HydrophobicContact CD2-CB 4.09Å; L1640-N1644 PolarHBondContact O-N 3.46Å; L1640-N1644 WeakPolarHBondContact O-CB 3.32Å; L1640-Y1647 HydrophobicContact CB-CD1 3.66Å; L1640-Y1647 HydrophobicContact CB-CD2 4.18Å; L1640-Y1647 HydrophobicContact CB-CE1 4.03Å; L1640-Y1647 HydrophobicContact CB-CG 3.74Å; L1640-Y1647 HydrophobicContact CD1-CD2 4.3Å; L1640-Y1647 HydrophobicContact CD1-CE2 4.43Å |
| 1641 | E | 83.4 | Confident | 84.1 | Confident | 76 Ų | 76 | 60 Ų | 60 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.6 | -31 | 174 | -170.4 | 157.2 | -162.6 | 0 | 0 | 112.6 | P1637 Y1647 R1648 K1651 | P1637-E1641 WeakPolarHBondContact O-CB 3.47Å; P1637-E1641 PolarHBondContact O-N 2.69Å; E1641-Y1647 HydrophobicContact CB-CD1 4.27Å; E1641-Y1647 HydrophobicContact CB-CE1 4.13Å; E1641-R1648 VanDerWaalsContact O-CD 3.25Å; E1641-R1648 WeakPolarHBondContact O-CD 3.43Å; E1641-R1648 WeakPolarHBondContact O-CG 3.19Å; E1641-R1648 PolarHBondContact O-NH1 2.65Å; E1641-K1651 PolarHBondContact OE2-NZ 2.96Å; E1641-K1651 IonicContact OE2-NZ 2.95Å; E1641-K1651 IonicContact OE1-NZ 3.19Å; E1641-K1651 WeakPolarHBondContact OE1-CD 3.48Å; E1641-K1651 PolarHBondContact OE1-NZ 2.98Å |
| 1642 | Q | 83.9 | Confident | 83.6 | Confident | 155 Ų | 155 | 61.7 Ų | 61.7 | 72% | 0.724 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -83.5 | -44.2 | 175 | -69.4 | 174.1 | 63.1 | 0 | 0 | 112.9 | S1638 E1639 L1640 R1648 | S1638-Q1642 WeakPolarHBondContact O-CG 3.49Å; S1638-Q1642 PolarHBondContact O-N 2.84Å; S1638-Q1642 PolarHBondContact O-NE2 2.8Å; E1639-Q1642 PolarHBondContact O-N 2.85Å; L1640-Q1642 VanDerWaalsContact C-N 3.25Å; L1640-Q1642 PolarHBondContact O-N 2.82Å; Q1642-R1648 PolarHBondContact O-NH1 2.86Å |
| 1643 | S | 84.3 | Confident | 83.1 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 61% | 0.608 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -88.9 | -39.5 | -171.6 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | E1639 L1640 | E1639-S1643 VanDerWaalsContact O-CB 3.27Å; E1639-S1643 WeakPolarHBondContact O-CB 3.17Å; E1639-S1643 PolarHBondContact O-N 2.96Å; E1639-S1643 PolarHBondContact O-OG 2.98Å; L1640-S1643 PolarHBondContact O-N 3.45Å |
| 1644 | N | 84 | Confident | 82.3 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.203 | 34% | 0.341 | C | S | . | . | trans | -105.4 | 117.8 | -162 | -165.6 | -55.5 | 0 | 0 | 0 | 112.9 | L1640 H1646 Y1647 R1648 | L1640-N1644 WeakPolarHBondContact O-CA 3.31Å; L1640-N1644 HydrophobicContact CD2-CB 4.09Å; L1640-N1644 PolarHBondContact O-N 3.46Å; L1640-N1644 WeakPolarHBondContact O-CB 3.32Å; N1644-H1646 WeakPolarHBondContact OD1-CA 3.22Å; N1644-H1646 VanDerWaalsContact OD1-CB 3.31Å; N1644-H1646 WeakPolarHBondContact OD1-CB 3.47Å; N1644-H1646 PolarHBondContact OD1-N 2.71Å; N1644-Y1647 PolarHBondContact OD1-N 2.71Å; N1644-R1648 PolarHBondContact O-N 2.79Å | ||
| 1645 | A | 83.4 | Confident | 81.4 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.7 | -28.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1649 | A1645-K1649 PolarHBondContact O-N 3.5Å |
| 1646 | H | 80.6 | Confident | 80.1 | Confident | 73 Ų | 73 | 67.7 Ų | 67.7 | 34% | 0.338 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.6 | -44.9 | 175.7 | -170.2 | 109.1 | 0 | 0 | 0 | 110.3 | F1625 M1633 N1644 R1648 K1649 L1650 | F1625-H1646 AromaticContact CZ-NE2 3.87Å; M1633-H1646 HydrophobicContact CE-CB 4.13Å; N1644-H1646 WeakPolarHBondContact OD1-CA 3.22Å; N1644-H1646 VanDerWaalsContact OD1-CB 3.31Å; N1644-H1646 WeakPolarHBondContact OD1-CB 3.47Å; N1644-H1646 PolarHBondContact OD1-N 2.71Å; H1646-R1648 PolarHBondContact O-N 3.26Å; H1646-K1649 WeakPolarHBondContact O-CB 3.35Å; H1646-K1649 PolarHBondContact O-N 2.95Å; H1646-K1649 VanDerWaalsContact O-N 3.08Å; H1646-L1650 VanDerWaalsContact CD2-CD1 3.49Å; H1646-L1650 WeakPolarHBondContact CD2-CD1 3.34Å; H1646-L1650 WeakPolarHBondContact O-CG 3.13Å; H1646-L1650 PolarHBondContact O-N 3.26Å |
| 1647 | Y | 83.7 | Confident | 78.9 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.5 | -47.9 | 175 | -172.1 | -105.9 | 0 | 0 | 0 | 112.2 | V1623 M1633 L1640 E1641 N1644 K1649 L1650 K1651 | V1623-Y1647 HydrophobicContact CG1-CE2 4.45Å; M1633-Y1647 HydrophobicContact SD-CD2 3.82Å; M1633-Y1647 HydrophobicContact SD-CG 4.17Å; L1640-Y1647 HydrophobicContact CB-CD1 3.66Å; L1640-Y1647 HydrophobicContact CB-CD2 4.18Å; L1640-Y1647 HydrophobicContact CB-CE1 4.03Å; L1640-Y1647 HydrophobicContact CB-CG 3.74Å; L1640-Y1647 HydrophobicContact CD1-CD2 4.3Å; L1640-Y1647 HydrophobicContact CD1-CE2 4.43Å; E1641-Y1647 HydrophobicContact CB-CD1 4.27Å; E1641-Y1647 HydrophobicContact CB-CE1 4.13Å; N1644-Y1647 PolarHBondContact OD1-N 2.71Å; Y1647-K1649 PolarHBondContact O-N 2.97Å; Y1647-K1649 VanDerWaalsContact C-N 3.3Å; Y1647-L1650 PolarHBondContact O-N 3.26Å; Y1647-K1651 PolarHBondContact O-N 3.34Å |
| 1648 | R | 85.1 | Confident | 77.2 | Confident | 89 Ų | 89 | 78.2 Ų | 78.2 | 34% | 0.336 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 174.4 | -76.4 | -170.7 | -67.2 | -90.4 | 1.6 | 113.1 | E1641 Q1642 N1644 H1646 K1651 Q1652 | E1641-R1648 VanDerWaalsContact O-CD 3.25Å; E1641-R1648 WeakPolarHBondContact O-CD 3.43Å; E1641-R1648 WeakPolarHBondContact O-CG 3.19Å; E1641-R1648 PolarHBondContact O-NH1 2.65Å; Q1642-R1648 PolarHBondContact O-NH1 2.86Å; N1644-R1648 PolarHBondContact O-N 2.79Å; H1646-R1648 PolarHBondContact O-N 3.26Å; R1648-K1651 PolarHBondContact O-N 3.37Å; R1648-Q1652 VanDerWaalsContact O-CG 3.29Å; R1648-Q1652 WeakPolarHBondContact O-CG 3.06Å; R1648-Q1652 PolarHBondContact O-N 3.32Å |
| 1649 | K | 80.2 | Confident | 76.9 | Confident | 122 Ų | 122 | 78.2 Ų | 78.2 | 53% | 0.53 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.4 | -167.1 | -165 | 177 | -160.4 | 0 | 111 | A1645 H1646 Y1647 Q1652 I1653 I1658 | A1645-K1649 PolarHBondContact O-N 3.5Å; H1646-K1649 WeakPolarHBondContact O-CB 3.35Å; H1646-K1649 PolarHBondContact O-N 2.95Å; H1646-K1649 VanDerWaalsContact O-N 3.08Å; Y1647-K1649 PolarHBondContact O-N 2.97Å; Y1647-K1649 VanDerWaalsContact C-N 3.3Å; K1649-Q1652 PolarHBondContact O-N 3.49Å; K1649-I1653 HydrophobicContact CG-CD1 4.29Å; K1649-I1653 WeakPolarHBondContact O-CG1 3.48Å; K1649-I1653 PolarHBondContact O-N 3.05Å; K1649-I1658 HydrophobicContact CG-CD1 4.47Å |
| 1650 | L | 78.3 | Confident | 76.3 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 23% | 0.225 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.9 | -62.9 | 173.6 | 0 | 0 | 0 | 111 | L1614 F1625 H1646 Y1647 Q1652 I1653 D1654 | L1614-L1650 HydrophobicContact CD1-CB 3.79Å; F1625-L1650 HydrophobicContact CD2-CD1 4.02Å; F1625-L1650 HydrophobicContact CE2-CD1 3.51Å; F1625-L1650 HydrophobicContact CZ-CD1 4.29Å; H1646-L1650 VanDerWaalsContact CD2-CD1 3.49Å; H1646-L1650 WeakPolarHBondContact CD2-CD1 3.34Å; H1646-L1650 WeakPolarHBondContact O-CG 3.13Å; H1646-L1650 PolarHBondContact O-N 3.26Å; Y1647-L1650 PolarHBondContact O-N 3.26Å; L1650-Q1652 VanDerWaalsContact C-N 3.25Å; L1650-Q1652 PolarHBondContact O-N 3.28Å; L1650-I1653 PolarHBondContact O-N 2.94Å; L1650-D1654 WeakPolarHBondContact O-CB 2.89Å; L1650-D1654 PolarHBondContact O-N 3.13Å |
| 1651 | K | 78 | Confident | 75.8 | Confident | 21 Ų | 21 | 80.1 Ų | 80.1 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.2 | -35 | 176.6 | -156.7 | 179.4 | -170.6 | -173.4 | 0 | 112.3 | L1614 E1618 E1641 Y1647 R1648 Q1655 | L1614-K1651 VanDerWaalsContact CD1-CA 3.49Å; L1614-K1651 HydrophobicContact CD1-CB 4.16Å; L1614-K1651 VanDerWaalsContact CD1-N 3.33Å; E1618-K1651 WeakPolarHBondContact OE1-CE 3.48Å; E1618-K1651 IonicContact OE1-NZ 3.98Å; E1618-K1651 PolarHBondContact OE1-NZ 2.79Å; E1641-K1651 PolarHBondContact OE2-NZ 2.96Å; E1641-K1651 IonicContact OE2-NZ 2.95Å; E1641-K1651 IonicContact OE1-NZ 3.19Å; E1641-K1651 WeakPolarHBondContact OE1-CD 3.48Å; E1641-K1651 PolarHBondContact OE1-NZ 2.98Å; Y1647-K1651 PolarHBondContact O-N 3.34Å; R1648-K1651 PolarHBondContact O-N 3.37Å; K1651-Q1655 VanDerWaalsContact O-N 3.08Å; K1651-Q1655 PolarHBondContact O-N 3.1Å; K1651-Q1655 WeakPolarHBondContact O-CG 3.24Å; K1651-Q1655 VanDerWaalsContact O-CB 3.25Å; K1651-Q1655 WeakPolarHBondContact O-CB 3.23Å |
| 1652 | Q | 75.5 | Confident | 75.3 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 40% | 0.402 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.5 | -32.6 | 174.9 | -73.5 | 170.9 | -19.5 | 0 | 0 | 113.9 | R1648 K1649 L1650 G1656 I1657 I1658 | R1648-Q1652 VanDerWaalsContact O-CG 3.29Å; R1648-Q1652 WeakPolarHBondContact O-CG 3.06Å; R1648-Q1652 PolarHBondContact O-N 3.32Å; K1649-Q1652 PolarHBondContact O-N 3.49Å; L1650-Q1652 VanDerWaalsContact C-N 3.25Å; L1650-Q1652 PolarHBondContact O-N 3.28Å; Q1652-G1656 PolarHBondContact O-N 2.85Å; Q1652-I1657 HydrophobicContact CB-CB 4.4Å; Q1652-I1657 WeakPolarHBondContact O-CB 3.18Å; Q1652-I1657 PolarHBondContact O-N 2.7Å; Q1652-I1658 HydrophobicContact CB-CD1 3.89Å; Q1652-I1658 HydrophobicContact CB-CG1 4.14Å |
| 1653 | I | 73.5 | Confident | 74.8 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 45% | 0.446 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71 | -49.5 | 174.8 | -65.7 | 165 | 0 | 0 | 0 | 109.9 | K1649 L1650 Q1655 G1656 I1658 | K1649-I1653 HydrophobicContact CG-CD1 4.29Å; K1649-I1653 WeakPolarHBondContact O-CG1 3.48Å; K1649-I1653 PolarHBondContact O-N 3.05Å; L1650-I1653 PolarHBondContact O-N 2.94Å; I1653-Q1655 PolarHBondContact O-N 2.87Å; I1653-Q1655 VanDerWaalsContact C-N 3.29Å; I1653-G1656 PolarHBondContact O-N 2.87Å; I1653-I1658 HydrophobicContact CG1-CD1 4.1Å |
| 1654 | D | 68.2 | Low | 74.2 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 179.3 | -169.7 | 91.1 | 0 | 0 | 0 | 111.9 | L1614 L1650 G1656 | L1614-D1654 HydrophobicContact CB-CB 4.11Å; L1614-D1654 HydrophobicContact CD1-CB 3.93Å; L1614-D1654 HydrophobicContact CG-CB 4.12Å; L1614-D1654 PolarHBondContact N-OD1 2.94Å; L1650-D1654 WeakPolarHBondContact O-CB 2.89Å; L1650-D1654 PolarHBondContact O-N 3.13Å; D1654-G1656 VanDerWaalsContact C-N 3.29Å; D1654-G1656 PolarHBondContact O-N 3.18Å |
| 1655 | Q | 68.2 | Low | 73.5 | Confident | 109 Ų | 109 | 77.6 Ų | 77.6 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -0.7 | 174.1 | -69.4 | 177.8 | -12.7 | 0 | 0 | 114.9 | K1651 I1653 I1657 | K1651-Q1655 VanDerWaalsContact O-N 3.08Å; K1651-Q1655 PolarHBondContact O-N 3.1Å; K1651-Q1655 WeakPolarHBondContact O-CG 3.24Å; K1651-Q1655 VanDerWaalsContact O-CB 3.25Å; K1651-Q1655 WeakPolarHBondContact O-CB 3.23Å; I1653-Q1655 PolarHBondContact O-N 2.87Å; I1653-Q1655 VanDerWaalsContact C-N 3.29Å; Q1655-I1657 VanDerWaalsContact C-N 3.34Å; Q1655-I1657 HydrophobicContact CB-CD1 3.74Å; Q1655-I1657 HydrophobicContact CB-CG1 3.9Å; Q1655-I1657 PolarHBondContact O-N 2.79Å |
| 1656 | G | 59.8 | Low | 72.7 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 62% | 0.619 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 33.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1652 I1653 D1654 | Q1652-G1656 PolarHBondContact O-N 2.85Å; I1653-G1656 PolarHBondContact O-N 2.87Å; D1654-G1656 VanDerWaalsContact C-N 3.29Å; D1654-G1656 PolarHBondContact O-N 3.18Å |
| 1657 | I | 63.7 | Low | 72 | Confident | 111 Ų | 111 | 78.8 Ų | 78.8 | 57% | 0.569 | 40% | 0.404 | S | S | * | . | trans | -91.5 | -9.7 | -178.7 | -61.9 | 175 | 0 | 0 | 0 | 111.7 | Q1652 Q1655 | Q1652-I1657 HydrophobicContact CB-CB 4.4Å; Q1652-I1657 WeakPolarHBondContact O-CB 3.18Å; Q1652-I1657 PolarHBondContact O-N 2.7Å; Q1655-I1657 VanDerWaalsContact C-N 3.34Å; Q1655-I1657 HydrophobicContact CB-CD1 3.74Å; Q1655-I1657 HydrophobicContact CB-CG1 3.9Å; Q1655-I1657 PolarHBondContact O-N 2.79Å | ||
| 1658 | I | 50.2 | Low | 71 | Confident | 151 Ų | 151 | 85.5 Ų | 85.5 | 77% | 0.774 | 44% | 0.439 | S | S | * | . | trans | -118.7 | 0 | 178.5 | -58.2 | 179.9 | 0 | 0 | 0 | 108.8 | K1649 Q1652 I1653 | K1649-I1658 HydrophobicContact CG-CD1 4.47Å; Q1652-I1658 HydrophobicContact CB-CD1 3.89Å; Q1652-I1658 HydrophobicContact CB-CG1 4.14Å; I1653-I1658 HydrophobicContact CG1-CD1 4.1Å |
Retrieved 1,658 of 1,658 residues in 835.8 ms
(Link to these results)