| 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 | 57.8 | Low | 92.2 | Very high | 246 Ų | 246 | 50.5 Ų | 50.5 | 100% | 1.212 | 29% | 0.288 | S | S | * | . | 0 | 136.8 | 0 | -77.5 | 170.6 | 176.3 | 0 | 0 | 107.7 | |||||
| 2 | G | 78.7 | Confident | 92.6 | Very high | 68 Ų | 68 | 49 Ų | 49 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 162.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R4 | G2-R4 PolarHBondContact O-N 3.47Š|
| 3 | T | 91.4 | Very high | 92.9 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 125.3 | 175.1 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | K32 | T3-K32 HydrophobicContact CG2-CB 3.89Š|
| 4 | R | 96.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 27% | 0.272 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.8 | 175.9 | -66.8 | -171.9 | -69.1 | 170.5 | -1.8 | 110.8 | G2 R30 F31 K32 D84 I245 | G2-R4 PolarHBondContact O-N 3.47Å; R4-R30 PolarHBondContact N-O 2.88Å; R4-F31 HydrophobicContact CB-CD1 4.1Å; R4-F31 HydrophobicContact CB-CE1 4.43Å; R4-F31 CarbonylContact O-C 3.52Å; R4-F31 VanDerWaalsContact O-CA 3.29Å; R4-F31 WeakPolarHBondContact O-CA 3.33Å; R4-K32 PolarHBondContact O-N 3.26Å; R4-D84 VanDerWaalsContact CA-OD2 3.32Å; R4-D84 WeakPolarHBondContact CA-OD2 3.44Å; R4-D84 HydrophobicContact CB-CB 4.04Å; R4-D84 HydrophobicContact CG-CB 4.34Å; R4-I245 PolarHBondContact NH1-O 3.03Å; R4-I245 PolarHBondContact NH2-O 3.48Å |
| 5 | R | 98.3 | Very high | 93.5 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 122.9 | 174.1 | -66.9 | 179.3 | -175.6 | 131.8 | 5.9 | 110.1 | K32 P79 Q82 D84 V85 | R5-K32 WeakPolarHBondContact CA-O 3.32Å; R5-K32 HydrophobicContact CG-CB 4.42Å; R5-P79 PolarHBondContact NH1-O 3.03Å; R5-Q82 WeakPolarHBondContact CB-O 3.3Å; R5-Q82 VanDerWaalsContact CD-O 3.25Å; R5-Q82 WeakPolarHBondContact CD-O 3.33Å; R5-D84 PolarHBondContact N-OD2 3.27Å; R5-D84 PolarHBondContact O-N 3.19Å; R5-V85 PolarHBondContact O-N 2.89Å; R5-V85 VanDerWaalsContact O-N 3.08Å |
| 6 | V | 98.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.4 | 179.9 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | V8 L23 F31 K32 V33 V34 V85 V87 | V6-V8 HydrophobicContact CG1-CG2 3.76Å; V6-L23 HydrophobicContact CB-CD1 4.44Å; V6-L23 HydrophobicContact CG1-CD1 3.8Å; V6-L23 HydrophobicContact CG2-CD1 4.47Å; V6-F31 HydrophobicContact CG2-CB 4.24Å; V6-F31 HydrophobicContact CG2-CD1 3.49Å; V6-F31 VanDerWaalsContact CG2-CD1 3.49Å; V6-F31 HydrophobicContact CG2-CE1 4.12Å; V6-F31 HydrophobicContact CG2-CG 4.13Å; V6-K32 PolarHBondContact N-O 3.49Å; V6-V33 CarbonylContact O-C 3.06Å; V6-V33 WeakPolarHBondContact O-CA 3.44Å; V6-V34 PolarHBondContact O-N 3.45Å; V6-V85 CarbonylContact C-O 3.54Å; V6-V85 VanDerWaalsContact CA-O 3.3Å; V6-V85 WeakPolarHBondContact CA-O 3.39Å; V6-V85 HydrophobicContact CB-CB 4.36Å; V6-V85 HydrophobicContact CG1-CB 3.99Å; V6-V85 HydrophobicContact CG1-CG1 4.06Å; V6-V85 HydrophobicContact CG2-CB 4.09Å; V6-V85 HydrophobicContact CG2-CG2 4.37Å; V6-V87 HydrophobicContact CG1-CG2 3.81Å |
| 7 | L | 98.9 | Very high | 94 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.4 | 170.6 | -177 | 65.8 | 0 | 0 | 0 | 108.9 | V34 T36 L63 I75 I78 V83 V85 L86 V87 | L7-V34 HydrophobicContact CD1-CB 3.86Å; L7-V34 HydrophobicContact CD1-CG1 3.67Å; L7-T36 HydrophobicContact CD1-CG2 3.46Å; L7-T36 VanDerWaalsContact CD1-CG2 3.46Å; L7-L63 HydrophobicContact CD2-CD1 4.38Å; L7-I75 HydrophobicContact CD2-CD1 4.37Å; L7-I75 HydrophobicContact CD2-CG1 4.21Å; L7-I78 HydrophobicContact CD1-CD1 4.26Å; L7-V83 HydrophobicContact CB-CG1 3.84Å; L7-V83 HydrophobicContact CB-CG2 4.38Å; L7-V83 HydrophobicContact CD2-CG2 4.42Å; L7-V85 PolarHBondContact N-O 2.84Å; L7-L86 HydrophobicContact CB-CD1 4.39Å; L7-L86 HydrophobicContact CD2-CD1 4.08Å; L7-L86 HydrophobicContact CG-CD1 4.33Å; L7-V87 PolarHBondContact O-N 2.96Å |
| 8 | V | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.4 | 179.8 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | V6 C11 V19 L23 V33 V34 T36 V87 | V6-V8 HydrophobicContact CG1-CG2 3.76Å; V8-C11 WeakPolarHBondContact CG1-SG 3.32Å; V8-C11 PolarHBondContact O-SG 2.64Å; V8-V19 HydrophobicContact CG1-CG1 4.31Å; V8-V19 HydrophobicContact CG2-CG1 4.47Å; V8-L23 HydrophobicContact CG2-CD1 4.42Å; V8-V33 HydrophobicContact CG2-CG1 4Å; V8-V34 PolarHBondContact N-O 2.59Å; V8-T36 PolarHBondContact O-N 3.14Å; V8-T36 PolarHBondContact O-OG1 3.03Å; V8-V87 WeakPolarHBondContact CA-O 3.22Å; V8-V87 HydrophobicContact CB-CB 4.32Å; V8-V87 HydrophobicContact CG1-CB 4.07Å; V8-V87 HydrophobicContact CG1-CG1 4.13Å; V8-V87 HydrophobicContact CG2-CB 4.06Å; V8-V87 HydrophobicContact CG2-CG2 4.19Å |
| 9 | T | 98.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -96.6 | 147 | -179.5 | 68.3 | 0 | 0 | 0 | 0 | 113.3 | T36 L63 V87 N89 A90 L120 | T9-T36 WeakPolarHBondContact CA-OG1 3.39Å; T9-L63 HydrophobicContact CG2-CD2 4.21Å; T9-V87 PolarHBondContact N-O 2.9Å; T9-N89 VanDerWaalsContact O-CB 3.31Å; T9-N89 WeakPolarHBondContact O-CB 3.42Å; T9-N89 PolarHBondContact O-ND2 3.27Å; T9-N89 PolarHBondContact OG1-N 2.68Å; T9-A90 PolarHBondContact O-N 3.18Å; T9-A90 PolarHBondContact OG1-N 2.96Å; T9-L120 HydrophobicContact CG2-CD1 3.72Å; T9-L120 HydrophobicContact CG2-CD2 4.32Å |
| 10 | G | 97.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 22% | 0.216 | 21% | 0.208 | C | C | . | . | trans | 71.5 | 48.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | T36 N89 | G10-T36 PolarHBondContact N-O 3.22Å; G10-N89 PolarHBondContact O-ND2 2.92Å | ||
| 11 | C | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 9 | -173.6 | -59.6 | 0 | 0 | 0 | 0 | 115.1 | V8 S13 L17 A35 T36 L46 | V8-C11 WeakPolarHBondContact CG1-SG 3.32Å; V8-C11 PolarHBondContact O-SG 2.64Å; C11-S13 VanDerWaalsContact C-N 3.26Å; C11-S13 PolarHBondContact O-N 3.28Å; C11-L17 WeakPolarHBondContact O-CB 3.19Å; C11-A35 HydrophobicContact CB-CB 3.95Å; C11-T36 WeakPolarHBondContact CB-O 3.47Å; C11-T36 PolarHBondContact N-O 3.07Å; C11-L46 HydrophobicContact CB-CD2 3.9Å |
| 12 | S | 96.9 | Very high | 96.9 | Very high | 32 Ų | 32 | 25 Ų | 25 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22.4 | 179.4 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 13 | S | 96 | Very high | 97.8 | Very high | 44 Ų | 44 | 21.9 Ų | 21.9 | 31% | 0.308 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -160.8 | 176.9 | 179.1 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | C11 L17 | C11-S13 VanDerWaalsContact C-N 3.26Å; C11-S13 PolarHBondContact O-N 3.28Å; S13-L17 PolarHBondContact O-N 2.95Å |
| 14 | G | 96.3 | Very high | 98.2 | Very high | 17 Ų | 17 | 18 Ų | 18 | 18% | 0.175 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | 57.9 | -141.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G16 L17 A18 | G14-G16 PolarHBondContact O-N 3.19Å; G14-L17 PolarHBondContact O-N 2.77Å; G14-A18 PolarHBondContact O-N 2.73Å |
| 15 | I | 98.1 | Very high | 98.2 | Very high | 25 Ų | 25 | 20.4 Ų | 20.4 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60 | -45 | -173.1 | -62 | 167.6 | 0 | 0 | 0 | 111.5 | L17 A18 V19 N89 M139 P184 V187 T189 V237 | I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.14Å; I15-A18 PolarHBondContact O-N 2.82Å; I15-V19 HydrophobicContact CG2-CG2 3.91Å; I15-V19 WeakPolarHBondContact O-CB 3.28Å; I15-V19 WeakPolarHBondContact O-CG2 3.36Å; I15-V19 PolarHBondContact O-N 3.41Å; I15-N89 WeakPolarHBondContact CB-OD1 3.25Å; I15-M139 HydrophobicContact CD1-CG 4.39Å; I15-M139 HydrophobicContact CG2-CE 3.59Å; I15-M139 HydrophobicContact CG2-CG 4.36Å; I15-M139 HydrophobicContact CG2-SD 4.06Å; I15-P184 HydrophobicContact CD1-CG 4.33Å; I15-V187 HydrophobicContact CD1-CB 4.35Å; I15-V187 HydrophobicContact CD1-CG1 4.3Å; I15-V187 HydrophobicContact CD1-CG2 4.08Å; I15-V187 HydrophobicContact CG1-CG1 4.13Å; I15-T189 HydrophobicContact CG1-CG2 4.4Å; I15-V237 HydrophobicContact CD1-CG1 4.32Å; I15-V237 HydrophobicContact CG1-CB 4.47Å; I15-V237 HydrophobicContact CG1-CG1 4.37Å; I15-V237 HydrophobicContact CG2-CB 4.35Å; I15-V237 HydrophobicContact CG2-CG1 3.69Å |
| 16 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G14 A20 N89 | G14-G16 PolarHBondContact O-N 3.19Å; G16-A20 VanDerWaalsContact O-CB 3.3Å; G16-A20 WeakPolarHBondContact O-CB 3.24Å; G16-A20 PolarHBondContact O-N 2.83Å; G16-N89 VanDerWaalsContact CA-ND2 3.28Å; G16-N89 WeakPolarHBondContact CA-ND2 3.38Å; G16-N89 PolarHBondContact N-ND2 3.13Å |
| 17 | L | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 12% | 0.115 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -52 | 174.3 | -175.9 | 160.2 | 0 | 0 | 0 | 110.7 | C11 S13 G14 I15 V19 A20 V21 P45 L46 A49 | C11-L17 WeakPolarHBondContact O-CB 3.19Å; S13-L17 PolarHBondContact O-N 2.95Å; G14-L17 PolarHBondContact O-N 2.77Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.14Å; L17-V19 PolarHBondContact O-N 3.14Å; L17-A20 PolarHBondContact O-N 2.69Å; L17-V21 HydrophobicContact CD2-CG2 4.16Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 3.42Å; L17-P45 HydrophobicContact CD1-CB 3.86Å; L17-L46 HydrophobicContact CD1-CB 4.16Å; L17-L46 HydrophobicContact CG-CB 4.28Å; L17-L46 HydrophobicContact CG-CD1 3.93Å; L17-A49 HydrophobicContact CD2-CB 3.98Å |
| 18 | A | 98.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 31 Ų | 31 | 5% | 0.05 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G14 I15 R22 P234 A238 | G14-A18 PolarHBondContact O-N 2.73Å; I15-A18 PolarHBondContact O-N 2.82Å; A18-R22 WeakPolarHBondContact O-CB 3.46Å; A18-R22 PolarHBondContact O-N 2.77Å; A18-P234 HydrophobicContact CB-CB 3.68Å; A18-A238 HydrophobicContact CB-CB 3.85Å |
| 19 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.4 | 171 | 0 | 0 | 0 | 0 | 110.8 | V8 I15 L17 V21 R22 L23 V87 A238 T241 | V8-V19 HydrophobicContact CG1-CG1 4.31Å; V8-V19 HydrophobicContact CG2-CG1 4.47Å; I15-V19 HydrophobicContact CG2-CG2 3.91Å; I15-V19 WeakPolarHBondContact O-CB 3.28Å; I15-V19 WeakPolarHBondContact O-CG2 3.36Å; I15-V19 PolarHBondContact O-N 3.41Å; L17-V19 PolarHBondContact O-N 3.14Å; V19-V21 PolarHBondContact O-N 3.42Å; V19-R22 PolarHBondContact O-N 3Å; V19-L23 HydrophobicContact CG1-CD1 3.68Å; V19-L23 HydrophobicContact CG1-CG 4.3Å; V19-L23 WeakPolarHBondContact O-CB 3.34Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.39Å; V19-L23 PolarHBondContact O-N 3.3Å; V19-V87 HydrophobicContact CG1-CG1 4.25Å; V19-A238 HydrophobicContact CG2-CB 3.98Å; V19-T241 HydrophobicContact CG1-CG2 4.04Å; V19-T241 HydrophobicContact CG2-CG2 4.16Å |
| 20 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G16 L17 A24 V33 A35 L46 L58 | G16-A20 VanDerWaalsContact O-CB 3.3Å; G16-A20 WeakPolarHBondContact O-CB 3.24Å; G16-A20 PolarHBondContact O-N 2.83Å; L17-A20 PolarHBondContact O-N 2.69Å; A20-A24 VanDerWaalsContact O-CB 3.29Å; A20-A24 WeakPolarHBondContact O-CB 3.17Å; A20-A24 PolarHBondContact O-N 2.81Å; A20-V33 HydrophobicContact CB-CG1 3.95Å; A20-A35 HydrophobicContact CB-CB 3.89Å; A20-L46 HydrophobicContact CB-CD1 4.42Å; A20-L58 HydrophobicContact CB-CD1 4.05Å |
| 21 | V | 98.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 7% | 0.073 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -44.7 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L17 V19 L23 A24 K25 L46 A49 | L17-V21 HydrophobicContact CD2-CG2 4.16Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 3.42Å; V19-V21 PolarHBondContact O-N 3.42Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.2Å; V21-A24 PolarHBondContact O-N 3.31Å; V21-K25 HydrophobicContact CG1-CD 3.89Å; V21-K25 HydrophobicContact CG1-CG 4.31Å; V21-K25 WeakPolarHBondContact O-CB 3.28Å; V21-K25 WeakPolarHBondContact O-CG 3.19Å; V21-K25 PolarHBondContact O-N 3.5Å; V21-L46 HydrophobicContact CG2-CD1 3.84Å; V21-A49 HydrophobicContact CG2-CB 3.85Å |
| 22 | R | 98.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | -178.7 | 177.3 | 57.1 | -174.9 | 83.9 | 4.5 | 112.8 | A18 V19 A238 E239 H242 | A18-R22 WeakPolarHBondContact O-CB 3.46Å; A18-R22 PolarHBondContact O-N 2.77Å; V19-R22 PolarHBondContact O-N 3Å; R22-A238 HydrophobicContact CB-CB 3.97Å; R22-A238 HydrophobicContact CG-CB 4.33Å; R22-E239 IonicContact CZ-OE2 2.81Å; R22-E239 IonicContact NE-OE2 2.81Å; R22-E239 PolarHBondContact NE-OE2 3.48Å; R22-E239 IonicContact NH2-OE1 4Å; R22-E239 PolarHBondContact NH2-OE1 3.35Å; R22-E239 IonicContact NH2-OE2 3.46Å; R22-E239 PolarHBondContact NH2-OE2 2.86Å; R22-H242 HydrophobicContact CG-CB 4.25Å; R22-H242 PolarHBondContact NH1-CD2 2.86Å; R22-H242 PolarHBondContact NH1-NE2 3.28Å; R22-H242 PolarHBondContact NH2-ND1 3.41Å |
| 23 | L | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.1 | -40.6 | 175.2 | -69.2 | 171.3 | 0 | 0 | 0 | 111.4 | V6 V8 V19 V21 K25 D26 F31 V33 H242 I245 | V6-L23 HydrophobicContact CB-CD1 4.44Å; V6-L23 HydrophobicContact CG1-CD1 3.8Å; V6-L23 HydrophobicContact CG2-CD1 4.47Å; V8-L23 HydrophobicContact CG2-CD1 4.42Å; V19-L23 HydrophobicContact CG1-CD1 3.68Å; V19-L23 HydrophobicContact CG1-CG 4.3Å; V19-L23 WeakPolarHBondContact O-CB 3.34Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.39Å; V19-L23 PolarHBondContact O-N 3.3Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.2Å; L23-K25 VanDerWaalsContact C-N 3.26Å; L23-K25 PolarHBondContact O-N 3.25Å; L23-D26 VanDerWaalsContact O-CB 3.24Å; L23-D26 WeakPolarHBondContact O-CB 3.45Å; L23-D26 PolarHBondContact O-N 3.34Å; L23-F31 HydrophobicContact CB-CD2 4.25Å; L23-F31 HydrophobicContact CD2-CD2 3.99Å; L23-F31 HydrophobicContact CD2-CE1 4.5Å; L23-F31 HydrophobicContact CD2-CE2 3.69Å; L23-F31 HydrophobicContact CD2-CZ 3.96Å; L23-F31 WeakPolarHBondContact O-CD2 3.34Å; L23-V33 HydrophobicContact CB-CG2 3.71Å; L23-H242 HydrophobicContact CD2-CB 4.43Å; L23-I245 HydrophobicContact CD1-CD1 3.92Å; L23-I245 HydrophobicContact CD2-CD1 4Å |
| 24 | A | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -28.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A20 V21 D26 V33 L53 T57 L58 | A20-A24 VanDerWaalsContact O-CB 3.29Å; A20-A24 WeakPolarHBondContact O-CB 3.17Å; A20-A24 PolarHBondContact O-N 2.81Å; V21-A24 PolarHBondContact O-N 3.31Å; A24-D26 VanDerWaalsContact C-N 3.27Å; A24-D26 PolarHBondContact O-N 2.89Å; A24-V33 HydrophobicContact CB-CB 4.5Å; A24-V33 HydrophobicContact CB-CG2 4.04Å; A24-L53 HydrophobicContact CB-CB 4.5Å; A24-L53 HydrophobicContact CB-CD1 4.25Å; A24-T57 PolarHBondContact O-OG1 3.17Å; A24-L58 HydrophobicContact CB-CB 3.78Å; A24-L58 HydrophobicContact CB-CD1 3.97Å; A24-L58 HydrophobicContact CB-CG 4.47Å |
| 25 | K | 97.2 | Very high | 97.5 | Very high | 122 Ų | 122 | 40.4 Ų | 40.4 | 53% | 0.53 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 0.7 | 174.4 | -76.4 | -177.4 | 179.2 | 175.3 | 0 | 114.4 | V21 L23 E27 L53 | V21-K25 HydrophobicContact CG1-CD 3.89Å; V21-K25 HydrophobicContact CG1-CG 4.31Å; V21-K25 WeakPolarHBondContact O-CB 3.28Å; V21-K25 WeakPolarHBondContact O-CG 3.19Å; V21-K25 PolarHBondContact O-N 3.5Å; L23-K25 VanDerWaalsContact C-N 3.26Å; L23-K25 PolarHBondContact O-N 3.25Å; K25-E27 PolarHBondContact O-N 2.97Å; K25-L53 HydrophobicContact CB-CD1 4.48Å; K25-L53 HydrophobicContact CD-CD1 4.25Å; K25-L53 HydrophobicContact CG-CD1 3.35Å |
| 26 | D | 96.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.032 | 18% | 0.183 | C | C | . | . | trans | -54.7 | 127.5 | -177.7 | -175.5 | -90.2 | 0 | 0 | 0 | 112.1 | L23 A24 T28 K29 R30 F31 H242 | L23-D26 VanDerWaalsContact O-CB 3.24Å; L23-D26 WeakPolarHBondContact O-CB 3.45Å; L23-D26 PolarHBondContact O-N 3.34Å; A24-D26 VanDerWaalsContact C-N 3.27Å; A24-D26 PolarHBondContact O-N 2.89Å; D26-T28 PolarHBondContact O-N 3.24Å; D26-T28 PolarHBondContact OD1-N 2.95Å; D26-T28 PolarHBondContact OD1-OG1 3.45Å; D26-K29 WeakPolarHBondContact O-CA 3.47Å; D26-K29 PolarHBondContact O-N 3.16Å; D26-K29 PolarHBondContact OD1-N 3.34Å; D26-R30 WeakPolarHBondContact OD1-CG 3.48Å; D26-R30 IonicContact OD1-CZ 3.98Å; D26-R30 IonicContact OD1-NE 3.14Å; D26-R30 PolarHBondContact OD1-NE 3.42Å; D26-R30 VanDerWaalsContact OD1-NE 3.14Å; D26-R30 IonicContact OD2-CZ 3.2Å; D26-R30 IonicContact OD2-NE 2.82Å; D26-R30 PolarHBondContact OD2-NE 3.3Å; D26-R30 IonicContact OD2-NH2 2.73Å; D26-R30 PolarHBondContact OD2-NH2 3.05Å; D26-F31 HydrophobicContact CB-CD2 3.67Å; D26-F31 HydrophobicContact CB-CE2 4.06Å; D26-H242 IonicContact OD2-CD2 2.69Å; D26-H242 IonicContact OD2-CE1 3.66Å; D26-H242 IonicContact OD2-NE2 2.83Å; D26-H242 PolarHBondContact OD2-NE2 3.5Å | ||
| 27 | E | 92.3 | Very high | 97.5 | Very high | 185 Ų | 185 | 39.4 Ų | 39.4 | 86% | 0.864 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -34.4 | -172.8 | -64.2 | 154.1 | -179.7 | 0 | 0 | 112.4 | K25 K29 | K25-E27 PolarHBondContact O-N 2.97Å; E27-K29 VanDerWaalsContact C-N 3.26Å; E27-K29 PolarHBondContact O-N 3.06Å |
| 28 | T | 93.8 | Very high | 97.4 | Very high | 94 Ų | 94 | 45.8 Ų | 45.8 | 58% | 0.577 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -0.8 | 179.9 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | D26 R30 | D26-T28 PolarHBondContact O-N 3.24Å; D26-T28 PolarHBondContact OD1-N 2.95Å; D26-T28 PolarHBondContact OD1-OG1 3.45Å; T28-R30 PolarHBondContact O-N 2.88Å; T28-R30 VanDerWaalsContact O-N 3.07Å; T28-R30 WeakPolarHBondContact OG1-CB 3.39Å; T28-R30 VanDerWaalsContact OG1-CD 3.28Å; T28-R30 WeakPolarHBondContact OG1-CD 3.36Å; T28-R30 WeakPolarHBondContact OG1-CG 3.48Å |
| 29 | K | 92.5 | Very high | 97.3 | Very high | 154 Ų | 154 | 48.6 Ų | 48.6 | 67% | 0.67 | 22% | 0.22 | S | C | * | . | trans | 49.7 | 33.8 | -176.7 | -60.3 | 179.2 | -179.5 | 175.2 | 0 | 112.5 | D26 E27 F31 | D26-K29 WeakPolarHBondContact O-CA 3.47Å; D26-K29 PolarHBondContact O-N 3.16Å; D26-K29 PolarHBondContact OD1-N 3.34Å; E27-K29 VanDerWaalsContact C-N 3.26Å; E27-K29 PolarHBondContact O-N 3.06Å; K29-F31 PolarHBondContact O-N 2.92Å | ||
| 30 | R | 95.9 | Very high | 97.3 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | trans | -75.6 | -3.9 | -177.2 | 68.5 | -168.9 | 151.3 | 177.4 | -12 | 113.9 | R4 D26 T28 H242 T246 | R4-R30 PolarHBondContact N-O 2.88Å; D26-R30 WeakPolarHBondContact OD1-CG 3.48Å; D26-R30 IonicContact OD1-CZ 3.98Å; D26-R30 IonicContact OD1-NE 3.14Å; D26-R30 PolarHBondContact OD1-NE 3.42Å; D26-R30 VanDerWaalsContact OD1-NE 3.14Å; D26-R30 IonicContact OD2-CZ 3.2Å; D26-R30 IonicContact OD2-NE 2.82Å; D26-R30 PolarHBondContact OD2-NE 3.3Å; D26-R30 IonicContact OD2-NH2 2.73Å; D26-R30 PolarHBondContact OD2-NH2 3.05Å; T28-R30 PolarHBondContact O-N 2.88Å; T28-R30 VanDerWaalsContact O-N 3.07Å; T28-R30 WeakPolarHBondContact OG1-CB 3.39Å; T28-R30 VanDerWaalsContact OG1-CD 3.28Å; T28-R30 WeakPolarHBondContact OG1-CD 3.36Å; T28-R30 WeakPolarHBondContact OG1-CG 3.48Å; R30-H242 PolarHBondContact NH2-CE1 2.87Å; R30-H242 PolarHBondContact NH2-NE2 3.23Å; R30-H242 VanDerWaalsContact NH2-NE2 3.19Å; R30-T246 VanDerWaalsContact NH2-CG2 3.35Å | ||
| 31 | F | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.9 | -176.1 | -57.5 | -64.3 | 0 | 0 | 0 | 112.7 | R4 V6 L23 D26 K29 V33 I245 T246 | R4-F31 HydrophobicContact CB-CD1 4.1Å; R4-F31 HydrophobicContact CB-CE1 4.43Å; R4-F31 CarbonylContact O-C 3.52Å; R4-F31 VanDerWaalsContact O-CA 3.29Å; R4-F31 WeakPolarHBondContact O-CA 3.33Å; V6-F31 HydrophobicContact CG2-CB 4.24Å; V6-F31 HydrophobicContact CG2-CD1 3.49Å; V6-F31 VanDerWaalsContact CG2-CD1 3.49Å; V6-F31 HydrophobicContact CG2-CE1 4.12Å; V6-F31 HydrophobicContact CG2-CG 4.13Å; L23-F31 HydrophobicContact CB-CD2 4.25Å; L23-F31 HydrophobicContact CD2-CD2 3.99Å; L23-F31 HydrophobicContact CD2-CE1 4.5Å; L23-F31 HydrophobicContact CD2-CE2 3.69Å; L23-F31 HydrophobicContact CD2-CZ 3.96Å; L23-F31 WeakPolarHBondContact O-CD2 3.34Å; D26-F31 HydrophobicContact CB-CD2 3.67Å; D26-F31 HydrophobicContact CB-CE2 4.06Å; K29-F31 PolarHBondContact O-N 2.92Å; F31-V33 HydrophobicContact CB-CG2 4.31Å; F31-I245 HydrophobicContact CE1-CG2 3.73Å; F31-I245 HydrophobicContact CZ-CG2 3.73Å; F31-T246 HydrophobicContact CE2-CG2 4.21Å; F31-T246 HydrophobicContact CZ-CG2 3.76Å |
| 32 | K | 98.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 107.6 | 159.8 | -171.9 | 89.9 | -178.9 | -170.3 | 0 | 107 | T3 R4 R5 V6 K56 T57 | T3-K32 HydrophobicContact CG2-CB 3.89Å; R4-K32 PolarHBondContact O-N 3.26Å; R5-K32 WeakPolarHBondContact CA-O 3.32Å; R5-K32 HydrophobicContact CG-CB 4.42Å; V6-K32 PolarHBondContact N-O 3.49Å; K32-K56 WeakPolarHBondContact CD-O 3.46Å; K32-K56 WeakPolarHBondContact CE-O 3.48Å; K32-K56 PolarHBondContact NZ-O 2.88Å; K32-T57 CarbonylContact C-O 3.57Å |
| 33 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.7 | -175 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | V6 V8 A20 L23 A24 F31 A35 T57 L58 V59 | V6-V33 CarbonylContact O-C 3.06Å; V6-V33 WeakPolarHBondContact O-CA 3.44Å; V8-V33 HydrophobicContact CG2-CG1 4Å; A20-V33 HydrophobicContact CB-CG1 3.95Å; L23-V33 HydrophobicContact CB-CG2 3.71Å; A24-V33 HydrophobicContact CB-CB 4.5Å; A24-V33 HydrophobicContact CB-CG2 4.04Å; F31-V33 HydrophobicContact CB-CG2 4.31Å; V33-A35 HydrophobicContact CG1-CB 4.31Å; V33-T57 PolarHBondContact N-O 3.49Å; V33-L58 HydrophobicContact CB-CB 4.5Å; V33-L58 HydrophobicContact CB-CG 4.37Å; V33-L58 HydrophobicContact CG1-CD1 4.41Å; V33-L58 HydrophobicContact CG1-CG 4.45Å; V33-L58 CarbonylContact O-C 3.56Å; V33-L58 WeakPolarHBondContact O-CA 3.45Å; V33-V59 PolarHBondContact O-N 3.35Å |
| 34 | V | 98.8 | Very high | 97 | Very high | 11 Ų | 11 | 68.9 Ų | 68.9 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 95.7 | 166 | -175.3 | 0 | 0 | 0 | 0 | 106.2 | V6 L7 V8 T36 V59 Q61 I78 | V6-V34 PolarHBondContact O-N 3.45Å; L7-V34 HydrophobicContact CD1-CB 3.86Å; L7-V34 HydrophobicContact CD1-CG1 3.67Å; V8-V34 PolarHBondContact N-O 2.59Å; V34-T36 HydrophobicContact CG1-CG2 4.07Å; V34-V59 HydrophobicContact CB-CG2 4.32Å; V34-V59 HydrophobicContact CG1-CG2 4.36Å; V34-V59 HydrophobicContact CG2-CG2 3.96Å; V34-Q61 HydrophobicContact CG1-CB 4.06Å; V34-Q61 HydrophobicContact CG1-CG 3.78Å; V34-I78 HydrophobicContact CG2-CD1 4.28Å; V34-I78 HydrophobicContact CG2-CG1 4.3Å |
| 35 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109 | C11 A20 V33 L46 L58 V59 I60 Q61 | C11-A35 HydrophobicContact CB-CB 3.95Å; A20-A35 HydrophobicContact CB-CB 3.89Å; V33-A35 HydrophobicContact CG1-CB 4.31Å; A35-L46 HydrophobicContact CB-CD2 3.69Å; A35-L58 HydrophobicContact CB-CD1 4.33Å; A35-L58 HydrophobicContact CB-CD2 4.17Å; A35-L58 HydrophobicContact CB-CG 4.21Å; A35-V59 PolarHBondContact N-O 3.28Å; A35-I60 VanDerWaalsContact O-CA 3.3Å; A35-I60 WeakPolarHBondContact O-CA 3.49Å; A35-Q61 PolarHBondContact O-N 3.34Å |
| 36 | T | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 152 | -173.2 | 77.3 | 0 | 0 | 0 | 0 | 113.8 | L7 V8 T9 G10 C11 V34 Q61 L63 | L7-T36 HydrophobicContact CD1-CG2 3.46Å; L7-T36 VanDerWaalsContact CD1-CG2 3.46Å; V8-T36 PolarHBondContact O-N 3.14Å; V8-T36 PolarHBondContact O-OG1 3.03Å; T9-T36 WeakPolarHBondContact CA-OG1 3.39Å; G10-T36 PolarHBondContact N-O 3.22Å; C11-T36 WeakPolarHBondContact CB-O 3.47Å; C11-T36 PolarHBondContact N-O 3.07Å; V34-T36 HydrophobicContact CG1-CG2 4.07Å; T36-Q61 VanDerWaalsContact CA-O 3.22Å; T36-Q61 WeakPolarHBondContact CA-O 3.5Å; T36-Q61 HydrophobicContact CG2-CB 4.23Å; T36-L63 HydrophobicContact CG2-CB 3.99Å; T36-L63 HydrophobicContact CG2-CD1 4.32Å |
| 37 | M | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 153.1 | 173.7 | 60.2 | -167.2 | 74.1 | 0 | 0 | 110.3 | D39 L40 R43 L46 I60 Q61 K62 L63 | M37-D39 WeakPolarHBondContact CG-O 3.3Å; M37-D39 VanDerWaalsContact SD-O 3.41Å; M37-L40 HydrophobicContact CG-CD2 3.97Å; M37-R43 HydrophobicContact CE-CB 4.01Å; M37-R43 HydrophobicContact SD-CB 3.75Å; M37-L46 HydrophobicContact CE-CB 4.44Å; M37-L46 HydrophobicContact CE-CD2 3.67Å; M37-I60 HydrophobicContact CE-CG2 3.96Å; M37-Q61 PolarHBondContact N-O 3.07Å; M37-K62 WeakPolarHBondContact O-CA 3.48Å; M37-L63 CarbonylContact C-O 3.56Å; M37-L63 VanDerWaalsContact C-O 3.32Å; M37-L63 PolarHBondContact O-N 2.93Å |
| 38 | R | 96.4 | Very high | 97.5 | Very high | 155 Ų | 155 | 69.4 Ų | 69.4 | 59% | 0.585 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -65.2 | -43.2 | 177.7 | 178.8 | 176.2 | 71.3 | -175.6 | 4.9 | 112 | L63 D64 | R38-L63 WeakPolarHBondContact CA-O 3.32Å; R38-L63 PolarHBondContact N-O 2.9Å; R38-D64 HydrophobicContact CB-CB 4.47Å; R38-D64 WeakPolarHBondContact CD-OD2 3.41Å; R38-D64 HydrophobicContact CG-CB 3.92Å; R38-D64 WeakPolarHBondContact CG-OD2 3.34Å |
| 39 | D | 96.9 | Very high | 97.6 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 35% | 0.348 | 32% | 0.316 | S | S | . | . | trans | -117.4 | 110.3 | -173.9 | 177.7 | 7.9 | 0 | 0 | 0 | 109.5 | M37 E41 K42 | M37-D39 WeakPolarHBondContact CG-O 3.3Å; M37-D39 VanDerWaalsContact SD-O 3.41Å; D39-E41 VanDerWaalsContact C-N 3.25Å; D39-E41 PolarHBondContact O-N 3.39Å; D39-E41 WeakPolarHBondContact OD1-CB 3.39Å; D39-E41 PolarHBondContact OD1-N 2.96Å; D39-K42 PolarHBondContact O-N 3.29Å; D39-K42 WeakPolarHBondContact OD2-CE 3.44Å | ||
| 40 | L | 97.9 | Very high | 97.9 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -72.3 | -17.5 | -177.4 | -71 | -178.7 | 0 | 0 | 0 | 113 | M37 K42 R43 I60 K62 | M37-L40 HydrophobicContact CG-CD2 3.97Å; L40-K42 PolarHBondContact O-N 3.49Å; L40-K42 VanDerWaalsContact O-N 3.17Å; L40-R43 VanDerWaalsContact O-CB 3.28Å; L40-R43 WeakPolarHBondContact O-CB 3.34Å; L40-R43 WeakPolarHBondContact O-CD 3.15Å; L40-R43 WeakPolarHBondContact O-CG 3.29Å; L40-R43 PolarHBondContact O-N 2.91Å; L40-R43 VanDerWaalsContact O-N 3.13Å; L40-I60 HydrophobicContact CD2-CG2 3.92Å; L40-K62 HydrophobicContact CD1-CB 4.04Å; L40-K62 HydrophobicContact CD2-CB 4.34Å; L40-K62 HydrophobicContact CG-CB 4.09Å |
| 41 | E | 97.9 | Very high | 98 | Very high | 172 Ų | 172 | 58 Ų | 58 | 80% | 0.804 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -64 | -21.4 | 174.9 | -61.1 | -55.4 | 125.9 | 0 | 0 | 111.2 | D39 R43 | D39-E41 VanDerWaalsContact C-N 3.25Å; D39-E41 PolarHBondContact O-N 3.39Å; D39-E41 WeakPolarHBondContact OD1-CB 3.39Å; D39-E41 PolarHBondContact OD1-N 2.96Å; E41-R43 VanDerWaalsContact C-N 3.33Å; E41-R43 PolarHBondContact O-N 2.8Å |
| 42 | K | 96.6 | Very high | 97.9 | Very high | 122 Ų | 122 | 64.4 Ų | 64.4 | 53% | 0.53 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -90.3 | 15.2 | 177.8 | -58.1 | -171.9 | -178 | -171.5 | 0 | 114.1 | D39 L40 G44 P45 | D39-K42 PolarHBondContact O-N 3.29Å; D39-K42 WeakPolarHBondContact OD2-CE 3.44Å; L40-K42 PolarHBondContact O-N 3.49Å; L40-K42 VanDerWaalsContact O-N 3.17Å; K42-G44 VanDerWaalsContact C-N 3.35Å; K42-P45 WeakPolarHBondContact O-CD 3.29Å |
| 43 | R | 97.4 | Very high | 97.8 | Very high | 114 Ų | 114 | 62.7 Ų | 62.7 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -75.1 | -19.4 | -178 | 71.1 | -174.1 | -179.4 | -169.1 | -6.8 | 114.9 | M37 L40 E41 L46 E47 I60 | M37-R43 HydrophobicContact CE-CB 4.01Å; M37-R43 HydrophobicContact SD-CB 3.75Å; L40-R43 VanDerWaalsContact O-CB 3.28Å; L40-R43 WeakPolarHBondContact O-CB 3.34Å; L40-R43 WeakPolarHBondContact O-CD 3.15Å; L40-R43 WeakPolarHBondContact O-CG 3.29Å; L40-R43 PolarHBondContact O-N 2.91Å; L40-R43 VanDerWaalsContact O-N 3.13Å; E41-R43 VanDerWaalsContact C-N 3.33Å; E41-R43 PolarHBondContact O-N 2.8Å; R43-L46 WeakPolarHBondContact O-CB 3.4Å; R43-L46 PolarHBondContact O-N 2.75Å; R43-E47 HydrophobicContact CB-CG 4.44Å; R43-E47 WeakPolarHBondContact CD-OE1 3.44Å; R43-E47 HydrophobicContact CG-CG 4.19Å; R43-E47 IonicContact CZ-OE1 3.42Å; R43-E47 IonicContact NE-OE1 2.63Å; R43-E47 PolarHBondContact NE-OE1 3.27Å; R43-E47 IonicContact NE-OE2 2.65Å; R43-E47 PolarHBondContact O-N 2.94Å; R43-I60 HydrophobicContact CB-CD1 4.18Å; R43-I60 HydrophobicContact CB-CG2 4.47Å |
| 44 | G | 98.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 37% | 0.371 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -50.8 | -47.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K42 L46 E47 K48 | K42-G44 VanDerWaalsContact C-N 3.35Å; G44-L46 VanDerWaalsContact C-N 3.32Å; G44-L46 PolarHBondContact O-N 2.84Å; G44-E47 PolarHBondContact O-N 3.48Å; G44-K48 WeakPolarHBondContact O-CB 3.39Å; G44-K48 PolarHBondContact O-N 3.38Å |
| 45 | P | 97.9 | Very high | 97.6 | Very high | 76 Ų | 76 | 69.9 Ų | 69.9 | 49% | 0.494 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 176.1 | -26.4 | 36 | 0 | 0 | 0 | 113.5 | L17 K42 A49 | L17-P45 HydrophobicContact CD1-CB 3.86Å; K42-P45 WeakPolarHBondContact O-CD 3.29Å; P45-A49 WeakPolarHBondContact O-CB 3.22Å; P45-A49 PolarHBondContact O-N 3.05Å |
| 46 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.1 | -43 | 178.7 | 176.9 | 64.4 | 0 | 0 | 0 | 111.4 | C11 L17 A20 V21 A35 M37 R43 G44 K48 A49 A50 L58 I60 | C11-L46 HydrophobicContact CB-CD2 3.9Å; L17-L46 HydrophobicContact CD1-CB 4.16Å; L17-L46 HydrophobicContact CG-CB 4.28Å; L17-L46 HydrophobicContact CG-CD1 3.93Å; A20-L46 HydrophobicContact CB-CD1 4.42Å; V21-L46 HydrophobicContact CG2-CD1 3.84Å; A35-L46 HydrophobicContact CB-CD2 3.69Å; M37-L46 HydrophobicContact CE-CB 4.44Å; M37-L46 HydrophobicContact CE-CD2 3.67Å; R43-L46 WeakPolarHBondContact O-CB 3.4Å; R43-L46 PolarHBondContact O-N 2.75Å; G44-L46 VanDerWaalsContact C-N 3.32Å; G44-L46 PolarHBondContact O-N 2.84Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.17Å; L46-A49 PolarHBondContact O-N 3.37Å; L46-A50 WeakPolarHBondContact O-CB 3.2Å; L46-A50 PolarHBondContact O-N 3.35Å; L46-L58 HydrophobicContact CD1-CD1 4.17Å; L46-L58 HydrophobicContact CD2-CD2 4.48Å; L46-I60 HydrophobicContact CD2-CD1 3.8Å; L46-I60 HydrophobicContact CD2-CG1 3.82Å; L46-I60 HydrophobicContact CG-CD1 4.1Å; L46-I60 HydrophobicContact CG-CG1 4.5Å |
| 47 | E | 98.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 77.1 Ų | 77.1 | 31% | 0.308 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 175.8 | -70.5 | 179.3 | 152 | 0 | 0 | 111 | R43 G44 A49 A50 G51 L54 I60 | R43-E47 HydrophobicContact CB-CG 4.44Å; R43-E47 WeakPolarHBondContact CD-OE1 3.44Å; R43-E47 HydrophobicContact CG-CG 4.19Å; R43-E47 IonicContact CZ-OE1 3.42Å; R43-E47 IonicContact NE-OE1 2.63Å; R43-E47 PolarHBondContact NE-OE1 3.27Å; R43-E47 IonicContact NE-OE2 2.65Å; R43-E47 PolarHBondContact O-N 2.94Å; G44-E47 PolarHBondContact O-N 3.48Å; E47-A49 PolarHBondContact O-N 2.91Å; E47-A50 PolarHBondContact O-N 3.29Å; E47-G51 PolarHBondContact O-N 3.48Å; E47-L54 HydrophobicContact CB-CD2 4.45Å; E47-L54 HydrophobicContact CG-CD2 4.11Å; E47-I60 HydrophobicContact CG-CD1 3.6Å |
| 48 | K | 98.3 | Very high | 97.4 | Very high | 185 Ų | 185 | 77 Ų | 77 | 80% | 0.804 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 176.3 | -175.5 | 179.1 | 179.2 | -179 | 0 | 112.1 | G44 L46 | G44-K48 WeakPolarHBondContact O-CB 3.39Å; G44-K48 PolarHBondContact O-N 3.38Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.17Å |
| 49 | A | 97.9 | Very high | 97.5 | Very high | 39 Ų | 39 | 71.2 Ų | 71.2 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.7 | -31.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L17 V21 P45 L46 E47 | L17-A49 HydrophobicContact CD2-CB 3.98Å; V21-A49 HydrophobicContact CG2-CB 3.85Å; P45-A49 WeakPolarHBondContact O-CB 3.22Å; P45-A49 PolarHBondContact O-N 3.05Å; L46-A49 PolarHBondContact O-N 3.37Å; E47-A49 PolarHBondContact O-N 2.91Å |
| 50 | A | 97.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.8 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L46 E47 D52 L53 L54 L58 | L46-A50 WeakPolarHBondContact O-CB 3.2Å; L46-A50 PolarHBondContact O-N 3.35Å; E47-A50 PolarHBondContact O-N 3.29Å; A50-D52 PolarHBondContact O-N 3.35Å; A50-L53 WeakPolarHBondContact O-CB 3.38Å; A50-L53 WeakPolarHBondContact O-CD1 3.46Å; A50-L53 WeakPolarHBondContact O-CG 3.5Å; A50-L53 PolarHBondContact O-N 2.93Å; A50-L54 HydrophobicContact CB-CB 4.37Å; A50-L58 HydrophobicContact CB-CD1 4.4Å; A50-L58 HydrophobicContact CB-CD2 4.27Å |
| 51 | G | 97.7 | Very high | 97.6 | Very high | 42 Ų | 42 | 70.4 Ų | 70.4 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | 50.7 | -124.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | E47 L53 L54 | E47-G51 PolarHBondContact O-N 3.48Å; G51-L53 PolarHBondContact O-N 2.71Å; G51-L54 WeakPolarHBondContact O-CB 3.43Å; G51-L54 PolarHBondContact O-N 3.42Å; G51-L54 VanDerWaalsContact O-N 3.11Å |
| 52 | D | 96.5 | Very high | 97.7 | Very high | 135 Ų | 135 | 67.8 Ų | 67.8 | 72% | 0.722 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -64.2 | -11 | -178.7 | -71.9 | -25.4 | 0 | 0 | 0 | 115.5 | A50 L54 K56 | A50-D52 PolarHBondContact O-N 3.35Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-K56 WeakPolarHBondContact O-CD 3.33Å; D52-K56 VanDerWaalsContact O-CE 3.28Å; D52-K56 WeakPolarHBondContact O-CE 3.27Å; D52-K56 PolarHBondContact O-NZ 2.92Å |
| 53 | L | 96.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 62.2 Ų | 62.2 | 19% | 0.194 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -76.6 | -23.3 | 177.1 | -53.1 | 168.2 | 0 | 0 | 0 | 111.8 | A24 K25 A50 G51 N55 K56 T57 L58 | A24-L53 HydrophobicContact CB-CB 4.5Å; A24-L53 HydrophobicContact CB-CD1 4.25Å; K25-L53 HydrophobicContact CB-CD1 4.48Å; K25-L53 HydrophobicContact CD-CD1 4.25Å; K25-L53 HydrophobicContact CG-CD1 3.35Å; A50-L53 WeakPolarHBondContact O-CB 3.38Å; A50-L53 WeakPolarHBondContact O-CD1 3.46Å; A50-L53 WeakPolarHBondContact O-CG 3.5Å; A50-L53 PolarHBondContact O-N 2.93Å; G51-L53 PolarHBondContact O-N 2.71Å; L53-N55 PolarHBondContact O-N 3.24Å; L53-K56 PolarHBondContact O-N 3.45Å; L53-T57 PolarHBondContact O-N 2.9Å; L53-L58 PolarHBondContact O-N 3.39Å |
| 54 | L | 97.1 | Very high | 97.8 | Very high | 42 Ų | 42 | 58.7 Ų | 58.7 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -60.3 | 135.1 | -179.3 | -169.9 | 64.6 | 0 | 0 | 0 | 110 | E47 A50 G51 D52 K56 L58 I60 | E47-L54 HydrophobicContact CB-CD2 4.45Å; E47-L54 HydrophobicContact CG-CD2 4.11Å; A50-L54 HydrophobicContact CB-CB 4.37Å; G51-L54 WeakPolarHBondContact O-CB 3.43Å; G51-L54 PolarHBondContact O-N 3.42Å; G51-L54 VanDerWaalsContact O-N 3.11Å; D52-L54 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.24Å; L54-L58 CarbonylContact C-O 3.56Å; L54-L58 WeakPolarHBondContact CA-O 3.41Å; L54-L58 HydrophobicContact CD1-CD2 3.91Å; L54-I60 HydrophobicContact CD1-CD1 3.93Å; L54-I60 HydrophobicContact CD1-CG1 3.96Å |
| 55 | N | 96.3 | Very high | 97.7 | Very high | 120 Ų | 120 | 57.4 Ų | 57.4 | 64% | 0.642 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -6.5 | -172.2 | -55 | -44.3 | 0 | 0 | 0 | 115.6 | L53 L58 | L53-N55 PolarHBondContact O-N 3.24Å; N55-L58 PolarHBondContact N-O 3.08Å |
| 56 | K | 95.6 | Very high | 97.7 | Very high | 133 Ų | 133 | 56.1 Ų | 56.1 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -69.8 | 176.5 | -60.4 | -174.3 | -162.3 | 145.3 | 0 | 112.1 | K32 D52 L53 L54 | K32-K56 WeakPolarHBondContact CD-O 3.46Å; K32-K56 WeakPolarHBondContact CE-O 3.48Å; K32-K56 PolarHBondContact NZ-O 2.88Å; D52-K56 WeakPolarHBondContact O-CD 3.33Å; D52-K56 VanDerWaalsContact O-CE 3.28Å; D52-K56 WeakPolarHBondContact O-CE 3.27Å; D52-K56 PolarHBondContact O-NZ 2.92Å; L53-K56 PolarHBondContact O-N 3.45Å; L54-K56 PolarHBondContact O-N 3.24Å |
| 57 | T | 97.7 | Very high | 97.7 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -10.6 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | A24 K32 V33 L53 | A24-T57 PolarHBondContact O-OG1 3.17Å; K32-T57 CarbonylContact C-O 3.57Å; V33-T57 PolarHBondContact N-O 3.49Å; L53-T57 PolarHBondContact O-N 2.9Å |
| 58 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.5 | 175.8 | -171.6 | 148.3 | 0 | 0 | 0 | 110.5 | A20 A24 V33 A35 L46 A50 L53 L54 N55 I60 | A20-L58 HydrophobicContact CB-CD1 4.05Å; A24-L58 HydrophobicContact CB-CB 3.78Å; A24-L58 HydrophobicContact CB-CD1 3.97Å; A24-L58 HydrophobicContact CB-CG 4.47Å; V33-L58 HydrophobicContact CB-CB 4.5Å; V33-L58 HydrophobicContact CB-CG 4.37Å; V33-L58 HydrophobicContact CG1-CD1 4.41Å; V33-L58 HydrophobicContact CG1-CG 4.45Å; V33-L58 CarbonylContact O-C 3.56Å; V33-L58 WeakPolarHBondContact O-CA 3.45Å; A35-L58 HydrophobicContact CB-CD1 4.33Å; A35-L58 HydrophobicContact CB-CD2 4.17Å; A35-L58 HydrophobicContact CB-CG 4.21Å; L46-L58 HydrophobicContact CD1-CD1 4.17Å; L46-L58 HydrophobicContact CD2-CD2 4.48Å; A50-L58 HydrophobicContact CB-CD1 4.4Å; A50-L58 HydrophobicContact CB-CD2 4.27Å; L53-L58 PolarHBondContact O-N 3.39Å; L54-L58 CarbonylContact C-O 3.56Å; L54-L58 WeakPolarHBondContact CA-O 3.41Å; L54-L58 HydrophobicContact CD1-CD2 3.91Å; N55-L58 PolarHBondContact N-O 3.08Å; L58-I60 HydrophobicContact CD2-CG1 3.89Å |
| 59 | V | 98.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 148.1 | 169 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | V33 V34 A35 | V33-V59 PolarHBondContact O-N 3.35Å; V34-V59 HydrophobicContact CB-CG2 4.32Å; V34-V59 HydrophobicContact CG1-CG2 4.36Å; V34-V59 HydrophobicContact CG2-CG2 3.96Å; A35-V59 PolarHBondContact N-O 3.28Å |
| 60 | I | 98.7 | Very high | 97.7 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.5 | 178.4 | -58.5 | 178 | 0 | 0 | 0 | 108.7 | A35 M37 L40 R43 L46 E47 L54 L58 | A35-I60 VanDerWaalsContact O-CA 3.3Å; A35-I60 WeakPolarHBondContact O-CA 3.49Å; M37-I60 HydrophobicContact CE-CG2 3.96Å; L40-I60 HydrophobicContact CD2-CG2 3.92Å; R43-I60 HydrophobicContact CB-CD1 4.18Å; R43-I60 HydrophobicContact CB-CG2 4.47Å; L46-I60 HydrophobicContact CD2-CD1 3.8Å; L46-I60 HydrophobicContact CD2-CG1 3.82Å; L46-I60 HydrophobicContact CG-CD1 4.1Å; L46-I60 HydrophobicContact CG-CG1 4.5Å; E47-I60 HydrophobicContact CG-CD1 3.6Å; L54-I60 HydrophobicContact CD1-CD1 3.93Å; L54-I60 HydrophobicContact CD1-CG1 3.96Å; L58-I60 HydrophobicContact CD2-CG1 3.89Å |
| 61 | Q | 98.5 | Very high | 97.8 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 153.7 | 176.1 | -69.6 | -66.4 | -3.6 | 0 | 0 | 111.5 | V34 A35 T36 M37 | V34-Q61 HydrophobicContact CG1-CB 4.06Å; V34-Q61 HydrophobicContact CG1-CG 3.78Å; A35-Q61 PolarHBondContact O-N 3.34Å; T36-Q61 VanDerWaalsContact CA-O 3.22Å; T36-Q61 WeakPolarHBondContact CA-O 3.5Å; T36-Q61 HydrophobicContact CG2-CB 4.23Å; M37-Q61 PolarHBondContact N-O 3.07Å |
| 62 | K | 98.5 | Very high | 97.8 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132 | 171.1 | -173.2 | 179.4 | 177.9 | -176.1 | 0 | 109.3 | M37 L40 | M37-K62 WeakPolarHBondContact O-CA 3.48Å; L40-K62 HydrophobicContact CD1-CB 4.04Å; L40-K62 HydrophobicContact CD2-CB 4.34Å; L40-K62 HydrophobicContact CG-CB 4.09Å |
| 63 | L | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | trans | -151.5 | 117.9 | 168.4 | -171.1 | 153.6 | 0 | 0 | 0 | 109.1 | L7 T9 T36 M37 R38 A65 S70 I71 C74 L120 | L7-L63 HydrophobicContact CD2-CD1 4.38Å; T9-L63 HydrophobicContact CG2-CD2 4.21Å; T36-L63 HydrophobicContact CG2-CB 3.99Å; T36-L63 HydrophobicContact CG2-CD1 4.32Å; M37-L63 CarbonylContact C-O 3.56Å; M37-L63 VanDerWaalsContact C-O 3.32Å; M37-L63 PolarHBondContact O-N 2.93Å; R38-L63 WeakPolarHBondContact CA-O 3.32Å; R38-L63 PolarHBondContact N-O 2.9Å; L63-A65 HydrophobicContact CD2-CB 4.41Å; L63-S70 WeakPolarHBondContact CA-OG 3.12Å; L63-I71 HydrophobicContact CD2-CG1 4.13Å; L63-I71 HydrophobicContact CG-CG1 4.23Å; L63-C74 HydrophobicContact CB-CB 4.27Å; L63-C74 HydrophobicContact CD1-CB 3.88Å; L63-C74 HydrophobicContact CG-CB 4.32Å; L63-L120 HydrophobicContact CD1-CD2 3.86Å; L63-L120 HydrophobicContact CD2-CD2 4.08Å | ||
| 64 | D | 98.1 | Very high | 97.9 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | trans | -98.2 | 116.6 | 165.6 | -168.8 | -17.8 | 0 | 0 | 0 | 109.9 | R38 C66 C67 S70 | R38-D64 HydrophobicContact CB-CB 4.47Å; R38-D64 WeakPolarHBondContact CD-OD2 3.41Å; R38-D64 HydrophobicContact CG-CB 3.92Å; R38-D64 WeakPolarHBondContact CG-OD2 3.34Å; D64-C66 PolarHBondContact O-N 3.42Å; D64-C66 PolarHBondContact OD1-N 3.23Å; D64-C67 HydrophobicContact CB-CB 4.09Å; D64-C67 PolarHBondContact O-N 2.86Å; D64-C67 VanDerWaalsContact O-N 3.11Å; D64-S70 PolarHBondContact N-OG 3.38Å | ||
| 65 | A | 96.5 | Very high | 98 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | L63 G116 R119 L120 | L63-A65 HydrophobicContact CD2-CB 4.41Å; A65-G116 WeakPolarHBondContact O-CA 3.27Å; A65-R119 WeakPolarHBondContact O-CD 3.45Å; A65-L120 HydrophobicContact CB-CD1 4.31Å |
| 66 | C | 97.4 | Very high | 98.1 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -4.9 | 177 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | D64 V112 | D64-C66 PolarHBondContact O-N 3.42Å; D64-C66 PolarHBondContact OD1-N 3.23Å; C66-V112 VanDerWaalsContact SG-CG2 3.6Å |
| 67 | C | 98.2 | Very high | 98.2 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 30% | 0.297 | 24% | 0.244 | S | C | . | . | trans | -121.3 | 112 | -176.5 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | D64 E69 S70 I71 | D64-C67 HydrophobicContact CB-CB 4.09Å; D64-C67 PolarHBondContact O-N 2.86Å; D64-C67 VanDerWaalsContact O-N 3.11Å; C67-E69 VanDerWaalsContact C-N 3.29Å; C67-E69 PolarHBondContact O-N 3Å; C67-S70 PolarHBondContact O-N 2.77Å; C67-S70 PolarHBondContact SG-N 2.72Å; C67-S70 VanDerWaalsContact SG-N 3.42Å; C67-I71 WeakPolarHBondContact O-CG1 3.42Å; C67-I71 PolarHBondContact O-N 2.82Å; C67-I71 VanDerWaalsContact O-N 3.09Å | ||
| 68 | E | 97.9 | Very high | 98.1 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.2 | -38.5 | -179 | -67.7 | -162.9 | 171.1 | 0 | 0 | 112.3 | I71 K72 R119 | E68-I71 PolarHBondContact O-N 3.11Å; E68-K72 WeakPolarHBondContact O-CB 3.08Å; E68-K72 VanDerWaalsContact O-CG 3.31Å; E68-K72 WeakPolarHBondContact O-CG 3.42Å; E68-K72 PolarHBondContact O-N 3.02Å; E68-K72 IonicContact OE2-NZ 3.88Å; E68-K72 PolarHBondContact OE2-NZ 2.74Å; E68-R119 HydrophobicContact CG-CG 4.38Å |
| 69 | E | 98.4 | Very high | 97.9 | Very high | 107 Ų | 107 | 49.8 Ų | 49.8 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.4 | -70.6 | 59.3 | -129.6 | 0 | 0 | 110.4 | C67 I71 K72 E73 | C67-E69 VanDerWaalsContact C-N 3.29Å; C67-E69 PolarHBondContact O-N 3Å; E69-I71 VanDerWaalsContact C-N 3.31Å; E69-I71 PolarHBondContact O-N 3.06Å; E69-K72 PolarHBondContact O-N 3Å; E69-K72 IonicContact OE1-NZ 3.12Å; E69-E73 WeakPolarHBondContact O-CB 3.41Å; E69-E73 VanDerWaalsContact O-CG 3.31Å; E69-E73 WeakPolarHBondContact O-CG 3.46Å; E69-E73 PolarHBondContact O-N 2.93Å |
| 70 | S | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.7 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | L63 D64 C67 C74 | L63-S70 WeakPolarHBondContact CA-OG 3.12Å; D64-S70 PolarHBondContact N-OG 3.38Å; C67-S70 PolarHBondContact O-N 2.77Å; C67-S70 PolarHBondContact SG-N 2.72Å; C67-S70 VanDerWaalsContact SG-N 3.42Å; S70-C74 WeakPolarHBondContact O-CB 3.44Å; S70-C74 PolarHBondContact O-N 3.05Å |
| 71 | I | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -49 | 175.3 | -67.9 | 167.4 | 0 | 0 | 0 | 110.5 | L63 C67 E68 E69 C74 I75 R119 L120 E123 | L63-I71 HydrophobicContact CD2-CG1 4.13Å; L63-I71 HydrophobicContact CG-CG1 4.23Å; C67-I71 WeakPolarHBondContact O-CG1 3.42Å; C67-I71 PolarHBondContact O-N 2.82Å; C67-I71 VanDerWaalsContact O-N 3.09Å; E68-I71 PolarHBondContact O-N 3.11Å; E69-I71 VanDerWaalsContact C-N 3.31Å; E69-I71 PolarHBondContact O-N 3.06Å; I71-C74 PolarHBondContact O-N 2.96Å; I71-I75 HydrophobicContact CG2-CD1 3.83Å; I71-I75 PolarHBondContact O-N 3.02Å; I71-R119 HydrophobicContact CD1-CB 3.61Å; I71-L120 HydrophobicContact CD1-CD2 4.37Å; I71-L120 HydrophobicContact CD1-CG 4.19Å; I71-L120 HydrophobicContact CG1-CD2 4.17Å; I71-L120 HydrophobicContact CG2-CD2 4.01Å; I71-E123 HydrophobicContact CG2-CB 3.85Å; I71-E123 HydrophobicContact CG2-CG 3.9Å |
| 72 | K | 98.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 56 Ų | 56 | 32% | 0.317 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 179.6 | -74.4 | 166.3 | -170.7 | 158.3 | 0 | 111.3 | E68 E69 I75 N76 | E68-K72 WeakPolarHBondContact O-CB 3.08Å; E68-K72 VanDerWaalsContact O-CG 3.31Å; E68-K72 WeakPolarHBondContact O-CG 3.42Å; E68-K72 PolarHBondContact O-N 3.02Å; E68-K72 IonicContact OE2-NZ 3.88Å; E68-K72 PolarHBondContact OE2-NZ 2.74Å; E69-K72 PolarHBondContact O-N 3Å; E69-K72 IonicContact OE1-NZ 3.12Å; K72-I75 PolarHBondContact O-N 3.4Å; K72-N76 VanDerWaalsContact O-CB 3.22Å; K72-N76 WeakPolarHBondContact O-CB 3.27Å; K72-N76 VanDerWaalsContact O-CG 3.23Å; K72-N76 PolarHBondContact O-N 3.43Å; K72-N76 PolarHBondContact O-ND2 3.48Å; K72-N76 VanDerWaalsContact O-ND2 3.11Å |
| 73 | E | 98.4 | Very high | 97.5 | Very high | 135 Ų | 135 | 50.6 Ų | 50.6 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.7 | -48.6 | 177.1 | -75.6 | 175.2 | 177.1 | 0 | 0 | 111.6 | E69 I75 N76 S77 | E69-E73 WeakPolarHBondContact O-CB 3.41Å; E69-E73 VanDerWaalsContact O-CG 3.31Å; E69-E73 WeakPolarHBondContact O-CG 3.46Å; E69-E73 PolarHBondContact O-N 2.93Å; E73-I75 VanDerWaalsContact C-N 3.35Å; E73-I75 PolarHBondContact O-N 3.13Å; E73-N76 PolarHBondContact O-N 2.89Å; E73-S77 PolarHBondContact O-N 3.19Å |
| 74 | C | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 178 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | L63 S70 I71 S77 | L63-C74 HydrophobicContact CB-CB 4.27Å; L63-C74 HydrophobicContact CD1-CB 3.88Å; L63-C74 HydrophobicContact CG-CB 4.32Å; S70-C74 WeakPolarHBondContact O-CB 3.44Å; S70-C74 PolarHBondContact O-N 3.05Å; I71-C74 PolarHBondContact O-N 2.96Å; C74-S77 WeakPolarHBondContact O-CB 3.4Å; C74-S77 PolarHBondContact O-N 3.04Å; C74-S77 PolarHBondContact O-OG 3.22Å |
| 75 | I | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.7 | -36.4 | -178.2 | -71.9 | 167.1 | 0 | 0 | 0 | 111.7 | L7 I71 K72 E73 S77 I78 R81 E123 V124 | L7-I75 HydrophobicContact CD2-CD1 4.37Å; L7-I75 HydrophobicContact CD2-CG1 4.21Å; I71-I75 HydrophobicContact CG2-CD1 3.83Å; I71-I75 PolarHBondContact O-N 3.02Å; K72-I75 PolarHBondContact O-N 3.4Å; E73-I75 VanDerWaalsContact C-N 3.35Å; E73-I75 PolarHBondContact O-N 3.13Å; I75-S77 PolarHBondContact O-N 2.77Å; I75-I78 WeakPolarHBondContact O-CB 3.31Å; I75-I78 PolarHBondContact O-N 2.8Å; I75-I78 VanDerWaalsContact O-N 3.11Å; I75-R81 HydrophobicContact CG2-CB 4.28Å; I75-E123 HydrophobicContact CB-CG 4.3Å; I75-E123 HydrophobicContact CD1-CB 3.88Å; I75-E123 HydrophobicContact CD1-CG 3.31Å; I75-E123 HydrophobicContact CG1-CG 4.35Å; I75-E123 HydrophobicContact CG2-CG 4.31Å; I75-V124 HydrophobicContact CD1-CG1 3.56Å; I75-V124 HydrophobicContact CG1-CG1 4.47Å |
| 76 | N | 97.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 49 Ų | 49 | 54% | 0.535 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -31.3 | 171.5 | -80.7 | -34.9 | 0 | 0 | 0 | 113 | K72 E73 I78 R81 | K72-N76 VanDerWaalsContact O-CB 3.22Å; K72-N76 WeakPolarHBondContact O-CB 3.27Å; K72-N76 VanDerWaalsContact O-CG 3.23Å; K72-N76 PolarHBondContact O-N 3.43Å; K72-N76 PolarHBondContact O-ND2 3.48Å; K72-N76 VanDerWaalsContact O-ND2 3.11Å; E73-N76 PolarHBondContact O-N 2.89Å; N76-I78 PolarHBondContact O-N 3.14Å; N76-R81 WeakPolarHBondContact OD1-CD 3.35Å; N76-R81 PolarHBondContact OD1-NH1 3.08Å |
| 77 | S | 97.3 | Very high | 97.7 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 43% | 0.427 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17.6 | 177.1 | 81.7 | 0 | 0 | 0 | 0 | 113.4 | E73 C74 I75 | E73-S77 PolarHBondContact O-N 3.19Å; C74-S77 WeakPolarHBondContact O-CB 3.4Å; C74-S77 PolarHBondContact O-N 3.04Å; C74-S77 PolarHBondContact O-OG 3.22Å; I75-S77 PolarHBondContact O-N 2.77Å |
| 78 | I | 97 | Very high | 97.7 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -79.4 | 130.9 | 178.7 | -59.1 | 174.7 | 0 | 0 | 0 | 108.4 | L7 V34 I75 N76 N80 R81 Q82 V83 | L7-I78 HydrophobicContact CD1-CD1 4.26Å; V34-I78 HydrophobicContact CG2-CD1 4.28Å; V34-I78 HydrophobicContact CG2-CG1 4.3Å; I75-I78 WeakPolarHBondContact O-CB 3.31Å; I75-I78 PolarHBondContact O-N 2.8Å; I75-I78 VanDerWaalsContact O-N 3.11Å; N76-I78 PolarHBondContact O-N 3.14Å; I78-N80 PolarHBondContact O-N 3.47Å; I78-R81 WeakPolarHBondContact O-CA 3.38Å; I78-R81 PolarHBondContact O-N 3.45Å; I78-Q82 WeakPolarHBondContact CG2-O 3.3Å; I78-V83 HydrophobicContact CD1-CG2 3.7Å |
| 79 | P | 94.3 | Very high | 97.7 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -56.1 | 134.2 | -178.7 | -24 | 31.7 | 0 | 0 | 0 | 111.8 | R5 R81 Q82 | R5-P79 PolarHBondContact NH1-O 3.03Å; P79-R81 PolarHBondContact O-N 3.16Å; P79-Q82 PolarHBondContact O-N 3.47Å |
| 80 | N | 93.8 | Very high | 97.5 | Very high | 132 Ų | 132 | 38.6 Ų | 38.6 | 71% | 0.706 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | 55.4 | 16.9 | -174.2 | -49.1 | -32 | 0 | 0 | 0 | 114.4 | I78 Q82 | I78-N80 PolarHBondContact O-N 3.47Å; N80-Q82 HydrophobicContact CB-CB 4.35Å; N80-Q82 PolarHBondContact O-N 3.1Å |
| 81 | R | 95.8 | Very high | 97.3 | Very high | 82 Ų | 82 | 39.3 Ų | 39.3 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | 53.2 | 17.4 | -171.4 | -66.3 | 170 | 50.6 | 81.5 | 4.4 | 114 | I75 N76 I78 P79 V83 E123 | I75-R81 HydrophobicContact CG2-CB 4.28Å; N76-R81 WeakPolarHBondContact OD1-CD 3.35Å; N76-R81 PolarHBondContact OD1-NH1 3.08Å; I78-R81 WeakPolarHBondContact O-CA 3.38Å; I78-R81 PolarHBondContact O-N 3.45Å; P79-R81 PolarHBondContact O-N 3.16Å; R81-V83 PolarHBondContact O-N 3.06Å; R81-E123 IonicContact CZ-OE1 2.67Å; R81-E123 IonicContact NH1-OE1 3.26Å; R81-E123 PolarHBondContact NH1-OE1 3.1Å; R81-E123 IonicContact NH2-OE1 2.95Å; R81-E123 PolarHBondContact NH2-OE1 3.28Å |
| 82 | Q | 96.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | trans | -82.1 | 110.7 | -168.9 | 167.4 | 165.2 | 22.9 | 0 | 0 | 111.3 | R5 I78 P79 N80 D84 R131 | R5-Q82 WeakPolarHBondContact CB-O 3.3Å; R5-Q82 VanDerWaalsContact CD-O 3.25Å; R5-Q82 WeakPolarHBondContact CD-O 3.33Å; I78-Q82 WeakPolarHBondContact CG2-O 3.3Å; P79-Q82 PolarHBondContact O-N 3.47Å; N80-Q82 HydrophobicContact CB-CB 4.35Å; N80-Q82 PolarHBondContact O-N 3.1Å; Q82-D84 PolarHBondContact NE2-OD1 3.42Å; Q82-R131 VanDerWaalsContact CG-CZ 3.46Å; Q82-R131 VanDerWaalsContact CG-NH1 3.31Å | ||
| 83 | V | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | trans | -108.4 | 110.2 | 168.4 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | L7 I78 R81 V85 L86 V124 M128 R131 | L7-V83 HydrophobicContact CB-CG1 3.84Å; L7-V83 HydrophobicContact CB-CG2 4.38Å; L7-V83 HydrophobicContact CD2-CG2 4.42Å; I78-V83 HydrophobicContact CD1-CG2 3.7Å; R81-V83 PolarHBondContact O-N 3.06Å; V83-V85 WeakPolarHBondContact CG1-O 3.42Å; V83-L86 HydrophobicContact CG1-CB 4.37Å; V83-V124 HydrophobicContact CB-CG1 4.3Å; V83-V124 HydrophobicContact CG1-CG1 4.49Å; V83-V124 HydrophobicContact CG2-CG1 4.22Å; V83-M128 HydrophobicContact CG1-CE 4.25Å; V83-M128 VanDerWaalsContact O-CE 3.29Å; V83-M128 WeakPolarHBondContact O-CE 3.45Å; V83-R131 PolarHBondContact O-NH2 3.05Å | ||
| 84 | D | 98.7 | Very high | 96.8 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -81.9 | -33 | 178.7 | -58.6 | -61.6 | 0 | 0 | 0 | 111.3 | R4 R5 Q82 G134 H135 | R4-D84 VanDerWaalsContact CA-OD2 3.32Å; R4-D84 WeakPolarHBondContact CA-OD2 3.44Å; R4-D84 HydrophobicContact CB-CB 4.04Å; R4-D84 HydrophobicContact CG-CB 4.34Å; R5-D84 PolarHBondContact N-OD2 3.27Å; R5-D84 PolarHBondContact O-N 3.19Å; Q82-D84 PolarHBondContact NE2-OD1 3.42Å; D84-G134 CarbonylContact O-C 3.51Å; D84-G134 WeakPolarHBondContact O-CA 3.49Å; D84-H135 PolarHBondContact O-N 3.34Å |
| 85 | V | 98.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.1 | 177 | -175 | 0 | 0 | 0 | 0 | 109.5 | R5 V6 L7 V83 V87 H135 V137 I245 | R5-V85 PolarHBondContact O-N 2.89Å; R5-V85 VanDerWaalsContact O-N 3.08Å; V6-V85 CarbonylContact C-O 3.54Å; V6-V85 VanDerWaalsContact CA-O 3.3Å; V6-V85 WeakPolarHBondContact CA-O 3.39Å; V6-V85 HydrophobicContact CB-CB 4.36Å; V6-V85 HydrophobicContact CG1-CB 3.99Å; V6-V85 HydrophobicContact CG1-CG1 4.06Å; V6-V85 HydrophobicContact CG2-CB 4.09Å; V6-V85 HydrophobicContact CG2-CG2 4.37Å; L7-V85 PolarHBondContact N-O 2.84Å; V83-V85 WeakPolarHBondContact CG1-O 3.42Å; V85-V87 HydrophobicContact CG1-CG2 4.12Å; V85-H135 CarbonylContact C-O 3.54Å; V85-H135 VanDerWaalsContact CA-O 3.27Å; V85-H135 WeakPolarHBondContact CA-O 3.22Å; V85-H135 HydrophobicContact CG1-CB 4.33Å; V85-H135 HydrophobicContact CG2-CB 4.23Å; V85-V137 HydrophobicContact CG1-CG2 4.24Å; V85-I245 HydrophobicContact CG1-CD1 4.09Å; V85-I245 HydrophobicContact CG1-CG1 4.08Å; V85-I245 HydrophobicContact CG1-CG2 4.31Å; V85-I245 HydrophobicContact CG2-CG2 4.13Å |
| 86 | L | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123 | 166.8 | 170.5 | 63.2 | 0 | 0 | 0 | 108 | L7 V83 L120 V121 V124 M128 H135 I136 V137 | L7-L86 HydrophobicContact CB-CD1 4.39Å; L7-L86 HydrophobicContact CD2-CD1 4.08Å; L7-L86 HydrophobicContact CG-CD1 4.33Å; V83-L86 HydrophobicContact CG1-CB 4.37Å; L86-L120 HydrophobicContact CD2-CB 4.21Å; L86-V121 HydrophobicContact CD2-CG2 4.11Å; L86-V124 HydrophobicContact CB-CG2 4.45Å; L86-V124 HydrophobicContact CD2-CG2 3.84Å; L86-M128 HydrophobicContact CB-CE 4.38Å; L86-H135 PolarHBondContact N-O 2.89Å; L86-I136 HydrophobicContact CD2-CG2 4.44Å; L86-V137 WeakPolarHBondContact O-CA 3.06Å; L86-V137 PolarHBondContact O-N 3.3Å; L86-V137 VanDerWaalsContact O-O 3.12Å |
| 87 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 95.4 | 166.9 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | V6 L7 V8 T9 V19 V85 N89 V137 I245 | V6-V87 HydrophobicContact CG1-CG2 3.81Å; L7-V87 PolarHBondContact O-N 2.96Å; V8-V87 WeakPolarHBondContact CA-O 3.22Å; V8-V87 HydrophobicContact CB-CB 4.32Å; V8-V87 HydrophobicContact CG1-CB 4.07Å; V8-V87 HydrophobicContact CG1-CG1 4.13Å; V8-V87 HydrophobicContact CG2-CB 4.06Å; V8-V87 HydrophobicContact CG2-CG2 4.19Å; T9-V87 PolarHBondContact N-O 2.9Å; V19-V87 HydrophobicContact CG1-CG1 4.25Å; V85-V87 HydrophobicContact CG1-CG2 4.12Å; V87-N89 PolarHBondContact O-N 2.96Å; V87-V137 CarbonylContact C-O 3.56Å; V87-V137 VanDerWaalsContact CA-O 3.28Å; V87-V137 WeakPolarHBondContact CA-O 3.33Å; V87-V137 HydrophobicContact CG2-CB 4.29Å; V87-I245 HydrophobicContact CG2-CD1 3.86Å |
| 88 | N | 98.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 102.3 | 174.6 | -176.7 | 78.9 | 0 | 0 | 0 | 109.9 | L117 L120 V137 V138 M139 | N88-L117 HydrophobicContact CB-CD1 3.68Å; N88-L120 WeakPolarHBondContact OD1-CD1 3.38Å; N88-V137 PolarHBondContact N-O 2.99Å; N88-V138 HydrophobicContact CB-CG2 4.39Å; N88-M139 PolarHBondContact O-N 2.86Å |
| 89 | N | 98.4 | Very high | 96.5 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | trans | -118.1 | -24.7 | -178.3 | 159.5 | 90.5 | 0 | 0 | 0 | 113.6 | T9 G10 I15 G16 V87 G91 M139 | T9-N89 VanDerWaalsContact O-CB 3.31Å; T9-N89 WeakPolarHBondContact O-CB 3.42Å; T9-N89 PolarHBondContact O-ND2 3.27Å; T9-N89 PolarHBondContact OG1-N 2.68Å; G10-N89 PolarHBondContact O-ND2 2.92Å; I15-N89 WeakPolarHBondContact CB-OD1 3.25Å; G16-N89 VanDerWaalsContact CA-ND2 3.28Å; G16-N89 WeakPolarHBondContact CA-ND2 3.38Å; G16-N89 PolarHBondContact N-ND2 3.13Å; V87-N89 PolarHBondContact O-N 2.96Å; N89-G91 PolarHBondContact O-N 3.42Å; N89-M139 HydrophobicContact CB-CB 4.08Å | ||
| 90 | A | 94.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 33 Ų | 33 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | trans | -52.4 | 132.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | T9 | T9-A90 PolarHBondContact O-N 3.18Å; T9-A90 PolarHBondContact OG1-N 2.96Å | ||
| 91 | G | 94.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 26% | 0.258 | 15% | 0.151 | S | C | . | . | trans | -172.8 | 160.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N89 N113 | N89-G91 PolarHBondContact O-N 3.42Å; G91-N113 WeakPolarHBondContact CA-OD1 2.95Å | ||
| 92 | I | 94.9 | Very high | 96.6 | Very high | 65 Ų | 65 | 26.7 Ų | 26.7 | 33% | 0.333 | 16% | 0.155 | S | C | . | . | trans | -125.8 | 154.5 | 172.8 | 63.4 | 175.8 | 0 | 0 | 0 | 110.7 | L109 V112 N113 Y154 | I92-L109 HydrophobicContact CD1-CB 4.28Å; I92-L109 HydrophobicContact CG1-CB 4.26Å; I92-L109 HydrophobicContact CG1-CG 4.18Å; I92-V112 HydrophobicContact CD1-CB 4.48Å; I92-V112 HydrophobicContact CD1-CG2 4.16Å; I92-V112 HydrophobicContact CG1-CB 4.26Å; I92-V112 HydrophobicContact CG1-CG2 4.44Å; I92-V112 HydrophobicContact CG2-CG1 4.41Å; I92-N113 PolarHBondContact N-OD1 2.82Å; I92-N113 PolarHBondContact O-ND2 3.4Å; I92-N113 PolarHBondContact O-OD1 2.99Å; I92-Y154 WeakPolarHBondContact O-CD2 3.28Å; I92-Y154 WeakPolarHBondContact O-CE2 3.24Å | ||
| 93 | G | 94 | Very high | 96.7 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 19% | 0.186 | 17% | 0.169 | C | C | . | . | trans | -105.3 | 165.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F191 | G93-F191 VanDerWaalsContact CA-CZ 3.45Å; G93-F191 VanDerWaalsContact N-CE2 3.29Å; G93-F191 VanDerWaalsContact N-CZ 3.25Å | ||
| 94 | M | 94.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | trans | -154.4 | 125.3 | 175 | 175.1 | 175.7 | -70.1 | 0 | 0 | 107.9 | Q101 S105 M106 L109 I153 | M94-Q101 HydrophobicContact CG-CG 4.31Å; M94-Q101 VanDerWaalsContact CG-NE2 3.25Å; M94-Q101 HydrophobicContact SD-CB 4.3Å; M94-Q101 VanDerWaalsContact SD-CD 3.56Å; M94-Q101 HydrophobicContact SD-CG 4.15Å; M94-Q101 PolarHBondContact SD-OE1 3.08Å; M94-Q101 VanDerWaalsContact SD-OE1 3.35Å; M94-S105 VanDerWaalsContact CE-C 3.48Å; M94-S105 WeakPolarHBondContact CE-O 3.45Å; M94-M106 HydrophobicContact SD-CG 4.2Å; M94-L109 HydrophobicContact CB-CD1 3.31Å; M94-L109 HydrophobicContact CE-CB 4.44Å; M94-L109 HydrophobicContact CE-CD1 4.28Å; M94-L109 HydrophobicContact CG-CD1 4.39Å; M94-L109 HydrophobicContact SD-CD1 4.32Å; M94-I153 HydrophobicContact SD-CB 3.94Å; M94-I153 HydrophobicContact SD-CG1 4.36Å; M94-I153 HydrophobicContact SD-CG2 4.01Å | ||
| 95 | I | 95.6 | Very high | 96.5 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | trans | -134.1 | 133.8 | -178.3 | -68.1 | -175.9 | 0 | 0 | 0 | 107.6 | F150 N151 V195 A199 F215 Y219 | I95-F150 VanDerWaalsContact CA-O 3.31Å; I95-F150 WeakPolarHBondContact CA-O 3.49Å; I95-N151 WeakPolarHBondContact CG1-OD1 3.36Å; I95-V195 HydrophobicContact CB-CG1 4Å; I95-V195 HydrophobicContact CD1-CG1 3.43Å; I95-V195 VanDerWaalsContact CD1-CG1 3.43Å; I95-V195 HydrophobicContact CG1-CG1 3.46Å; I95-V195 VanDerWaalsContact CG1-CG1 3.46Å; I95-A199 HydrophobicContact CB-CB 4.14Å; I95-A199 HydrophobicContact CG2-CB 3.98Å; I95-F215 HydrophobicContact CG2-CE2 3.8Å; I95-F215 HydrophobicContact CG2-CZ 4.16Å; I95-Y219 HydrophobicContact CG2-CD1 4.47Å; I95-Y219 HydrophobicContact CG2-CE1 3.49Å; I95-Y219 VanDerWaalsContact CG2-CE1 3.49Å | ||
| 96 | G | 96.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 154.1 | 169.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q101 F150 | G96-Q101 PolarHBondContact O-NE2 2.88Å; G96-F150 PolarHBondContact N-O 2.91Å |
| 97 | P | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -55 | 140.5 | 166 | -23.6 | 35.7 | 0 | 0 | 0 | 111 | E99 C100 F150 L204 T207 T211 F215 | P97-E99 PolarHBondContact O-N 2.87Å; P97-C100 HydrophobicContact CB-CB 4.32Å; P97-C100 PolarHBondContact O-N 3.23Å; P97-F150 HydrophobicContact CB-CE1 4.34Å; P97-F150 HydrophobicContact CG-CD1 4.35Å; P97-F150 HydrophobicContact CG-CE1 4.12Å; P97-L204 HydrophobicContact CG-CD2 3.89Å; P97-T207 HydrophobicContact CB-CG2 4.36Å; P97-T207 HydrophobicContact CG-CG2 4.23Å; P97-T211 HydrophobicContact CB-CG2 3.99Å; P97-T211 HydrophobicContact CG-CG2 4.16Å; P97-F215 HydrophobicContact CG-CB 4.16Å; P97-F215 HydrophobicContact CG-CD1 4.29Å; P97-F215 HydrophobicContact CG-CG 4.12Å | ||
| 98 | L | 96.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 47.5 Ų | 47.5 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -64 | -43.7 | -171.8 | 177.3 | 66.5 | 0 | 0 | 0 | 111.6 | C100 Q101 M106 D152 I153 | L98-C100 VanDerWaalsContact C-N 3.25Å; L98-C100 PolarHBondContact O-N 3.4Å; L98-Q101 PolarHBondContact O-N 2.75Å; L98-Q101 VanDerWaalsContact O-N 3.15Å; L98-M106 HydrophobicContact CD1-CE 3.73Å; L98-D152 HydrophobicContact CD1-CB 4.36Å; L98-I153 HydrophobicContact CD1-CD1 4.04Å; L98-I153 HydrophobicContact CD1-CG1 4.08Å |
| 99 | E | 96.4 | Very high | 96.3 | Very high | 90 Ų | 90 | 47.2 Ų | 47.2 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -67.2 | -22.3 | -179.5 | 59.8 | -89.1 | -148.3 | 0 | 0 | 113.3 | P97 Q101 E206 T207 | P97-E99 PolarHBondContact O-N 2.87Å; E99-Q101 VanDerWaalsContact C-N 3.32Å; E99-E206 WeakPolarHBondContact CG-O 3.44Å; E99-T207 VanDerWaalsContact OE1-CB 3.29Å; E99-T207 WeakPolarHBondContact OE1-CB 3.3Å; E99-T207 PolarHBondContact OE1-OG1 2.63Å |
| 100 | C | 96.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -82.6 | -8.9 | 174.7 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | P97 L98 T202 D203 | P97-C100 HydrophobicContact CB-CB 4.32Å; P97-C100 PolarHBondContact O-N 3.23Å; L98-C100 VanDerWaalsContact C-N 3.25Å; L98-C100 PolarHBondContact O-N 3.4Å; C100-T202 HydrophobicContact CB-CG2 4.07Å; C100-D203 WeakPolarHBondContact CB-O 3.38Å; C100-D203 PolarHBondContact SG-O 2.76Å |
| 101 | Q | 94.8 | Very high | 96.5 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 12% | 0.121 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -96.6 | 128.6 | -175.8 | -69.4 | 172.2 | -7.1 | 0 | 0 | 110.8 | M94 G96 L98 E99 M106 | M94-Q101 HydrophobicContact CG-CG 4.31Å; M94-Q101 VanDerWaalsContact CG-NE2 3.25Å; M94-Q101 HydrophobicContact SD-CB 4.3Å; M94-Q101 VanDerWaalsContact SD-CD 3.56Å; M94-Q101 HydrophobicContact SD-CG 4.15Å; M94-Q101 PolarHBondContact SD-OE1 3.08Å; M94-Q101 VanDerWaalsContact SD-OE1 3.35Å; G96-Q101 PolarHBondContact O-NE2 2.88Å; L98-Q101 PolarHBondContact O-N 2.75Å; L98-Q101 VanDerWaalsContact O-N 3.15Å; E99-Q101 VanDerWaalsContact C-N 3.32Å; Q101-M106 HydrophobicContact CB-CE 3.53Å; Q101-M106 WeakPolarHBondContact O-CE 3.44Å |
| 102 | S | 95.8 | Very high | 96.7 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | trans | -72.8 | 140.5 | 178.4 | 86.9 | 0 | 0 | 0 | 0 | 111.5 | T104 S105 M106 | S102-T104 PolarHBondContact O-N 2.99Å; S102-T104 VanDerWaalsContact O-N 3.15Å; S102-S105 PolarHBondContact O-N 2.97Å; S102-S105 VanDerWaalsContact O-N 3.07Å; S102-S105 PolarHBondContact OG-N 3.19Å; S102-S105 PolarHBondContact OG-OG 2.65Å; S102-M106 WeakPolarHBondContact O-CG 3.36Å; S102-M106 PolarHBondContact O-N 3.05Å | ||
| 103 | I | 97.6 | Very high | 96.8 | Very high | 107 Ų | 107 | 47.7 Ų | 47.7 | 55% | 0.549 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55 | -33.4 | 173.1 | -64.9 | -64.9 | 0 | 0 | 0 | 111.7 | M106 K107 | I103-M106 HydrophobicContact CD1-SD 3.88Å; I103-M106 PolarHBondContact O-N 2.9Å; I103-K107 HydrophobicContact CG2-CD 4.18Å; I103-K107 HydrophobicContact CG2-CG 4.45Å; I103-K107 WeakPolarHBondContact O-CG 3.41Å; I103-K107 PolarHBondContact O-N 3.42Å |
| 104 | T | 98.1 | Very high | 97.1 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.1 | -50.9 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 111 | S102 M106 K107 E108 | S102-T104 PolarHBondContact O-N 2.99Å; S102-T104 VanDerWaalsContact O-N 3.15Å; T104-M106 VanDerWaalsContact C-N 3.29Å; T104-M106 PolarHBondContact O-N 2.99Å; T104-K107 PolarHBondContact O-N 3.33Å; T104-E108 WeakPolarHBondContact O-CG 3.38Å; T104-E108 PolarHBondContact O-N 3.28Å |
| 105 | S | 95.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 33% | 0.329 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | M94 S102 E108 L109 | M94-S105 VanDerWaalsContact CE-C 3.48Å; M94-S105 WeakPolarHBondContact CE-O 3.45Å; S102-S105 PolarHBondContact O-N 2.97Å; S102-S105 VanDerWaalsContact O-N 3.07Å; S102-S105 PolarHBondContact OG-N 3.19Å; S102-S105 PolarHBondContact OG-OG 2.65Å; S105-E108 PolarHBondContact O-N 3.41Å; S105-L109 PolarHBondContact O-N 2.89Å |
| 106 | M | 97.7 | Very high | 97.4 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.7 | -61.4 | -178.2 | -176.5 | 0 | 0 | 111.6 | M94 L98 Q101 S102 I103 T104 L109 F110 I153 | M94-M106 HydrophobicContact SD-CG 4.2Å; L98-M106 HydrophobicContact CD1-CE 3.73Å; Q101-M106 HydrophobicContact CB-CE 3.53Å; Q101-M106 WeakPolarHBondContact O-CE 3.44Å; S102-M106 WeakPolarHBondContact O-CG 3.36Å; S102-M106 PolarHBondContact O-N 3.05Å; I103-M106 HydrophobicContact CD1-SD 3.88Å; I103-M106 PolarHBondContact O-N 2.9Å; T104-M106 VanDerWaalsContact C-N 3.29Å; T104-M106 PolarHBondContact O-N 2.99Å; M106-L109 PolarHBondContact O-N 2.88Å; M106-F110 PolarHBondContact O-N 2.95Å; M106-F110 VanDerWaalsContact O-N 3.14Å; M106-I153 HydrophobicContact CB-CG2 3.9Å; M106-I153 HydrophobicContact CE-CD1 4.19Å; M106-I153 HydrophobicContact CE-CG1 3.95Å; M106-I153 HydrophobicContact CG-CB 4.44Å; M106-I153 HydrophobicContact CG-CD1 4.17Å; M106-I153 HydrophobicContact CG-CG1 3.82Å; M106-I153 HydrophobicContact CG-CG2 3.99Å; M106-I153 HydrophobicContact SD-CD1 3.59Å; M106-I153 VanDerWaalsContact SD-CD1 3.59Å; M106-I153 HydrophobicContact SD-CG1 3.76Å |
| 107 | K | 98.4 | Very high | 97.6 | Very high | 137 Ų | 137 | 50.6 Ų | 50.6 | 60% | 0.596 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.8 | -45.6 | 175.7 | -73.9 | 173.6 | 178.8 | 177.7 | 0 | 111.2 | I103 T104 L109 F110 E111 | I103-K107 HydrophobicContact CG2-CD 4.18Å; I103-K107 HydrophobicContact CG2-CG 4.45Å; I103-K107 WeakPolarHBondContact O-CG 3.41Å; I103-K107 PolarHBondContact O-N 3.42Å; T104-K107 PolarHBondContact O-N 3.33Å; K107-L109 VanDerWaalsContact C-N 3.26Å; K107-L109 PolarHBondContact O-N 3.29Å; K107-F110 CarbonylContact O-C 3.58Å; K107-F110 PolarHBondContact O-N 3.3Å; K107-F110 VanDerWaalsContact O-N 3.09Å; K107-E111 WeakPolarHBondContact O-CG 3.44Å; K107-E111 PolarHBondContact O-N 3.31Å |
| 108 | E | 97.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 52.4 Ų | 52.4 | 51% | 0.505 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57 | -40.6 | 176.1 | -72.5 | 174.4 | 174.6 | 0 | 0 | 112.2 | T104 S105 E111 V112 | T104-E108 WeakPolarHBondContact O-CG 3.38Å; T104-E108 PolarHBondContact O-N 3.28Å; S105-E108 PolarHBondContact O-N 3.41Å; E108-E111 WeakPolarHBondContact O-CB 3.31Å; E108-E111 PolarHBondContact O-N 2.75Å; E108-V112 WeakPolarHBondContact O-CG2 3.32Å; E108-V112 PolarHBondContact O-N 3.23Å |
| 109 | L | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 174.5 | -177.3 | 155 | 0 | 0 | 0 | 112 | I92 M94 S105 M106 K107 V112 N113 I153 Y154 S157 | I92-L109 HydrophobicContact CD1-CB 4.28Å; I92-L109 HydrophobicContact CG1-CB 4.26Å; I92-L109 HydrophobicContact CG1-CG 4.18Å; M94-L109 HydrophobicContact CB-CD1 3.31Å; M94-L109 HydrophobicContact CE-CB 4.44Å; M94-L109 HydrophobicContact CE-CD1 4.28Å; M94-L109 HydrophobicContact CG-CD1 4.39Å; M94-L109 HydrophobicContact SD-CD1 4.32Å; S105-L109 PolarHBondContact O-N 2.89Å; M106-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact C-N 3.26Å; K107-L109 PolarHBondContact O-N 3.29Å; L109-V112 PolarHBondContact O-N 3.44Å; L109-N113 HydrophobicContact CD2-CB 4.47Å; L109-N113 WeakPolarHBondContact CD2-ND2 3.34Å; L109-N113 VanDerWaalsContact O-CB 3.26Å; L109-N113 WeakPolarHBondContact O-CB 3.33Å; L109-N113 PolarHBondContact O-N 3.05Å; L109-I153 HydrophobicContact CD1-CG2 4.39Å; L109-I153 HydrophobicContact CD2-CG2 4.17Å; L109-Y154 HydrophobicContact CD1-CD2 4.45Å; L109-S157 VanDerWaalsContact CD2-OG 3.31Å; L109-S157 WeakPolarHBondContact CD2-OG 3.41Å |
| 110 | F | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | 174.8 | -94 | -97.9 | 0 | 0 | 0 | 112.7 | M106 K107 V112 F114 F115 I153 A156 A160 | M106-F110 PolarHBondContact O-N 2.95Å; M106-F110 VanDerWaalsContact O-N 3.14Å; K107-F110 CarbonylContact O-C 3.58Å; K107-F110 PolarHBondContact O-N 3.3Å; K107-F110 VanDerWaalsContact O-N 3.09Å; F110-V112 VanDerWaalsContact C-N 3.29Å; F110-V112 PolarHBondContact O-N 2.76Å; F110-F114 HydrophobicContact CD1-CB 4.04Å; F110-F114 HydrophobicContact CD1-CD1 4.44Å; F110-F114 HydrophobicContact CD1-CG 4.45Å; F110-F114 WeakPolarHBondContact O-CA 3.1Å; F110-F114 WeakPolarHBondContact O-CB 3.26Å; F110-F114 PolarHBondContact O-N 3.26Å; F110-F115 PolarHBondContact O-N 2.84Å; F110-I153 HydrophobicContact CD2-CG2 4.38Å; F110-I153 HydrophobicContact CE2-CG2 4.15Å; F110-A156 HydrophobicContact CE2-CB 4.32Å; F110-A156 HydrophobicContact CZ-CB 4Å; F110-A160 HydrophobicContact CE1-CB 4.11Å |
| 111 | E | 98.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -58.6 | -42.6 | 176.5 | -78 | -56.7 | 149.4 | 0 | 0 | 111.7 | K107 E108 F115 G116 R119 | K107-E111 WeakPolarHBondContact O-CG 3.44Å; K107-E111 PolarHBondContact O-N 3.31Å; E108-E111 WeakPolarHBondContact O-CB 3.31Å; E108-E111 PolarHBondContact O-N 2.75Å; E111-F115 CarbonylContact O-C 3.39Å; E111-G116 PolarHBondContact O-N 2.84Å; E111-R119 PolarHBondContact O-NH1 3.05Å; E111-R119 IonicContact OE2-CZ 2.71Å; E111-R119 VanDerWaalsContact OE2-CZ 3.26Å; E111-R119 IonicContact OE2-NH1 3.21Å; E111-R119 PolarHBondContact OE2-NH1 3Å; E111-R119 IonicContact OE2-NH2 4Å; E111-R119 PolarHBondContact OE2-NH2 3.1Å |
| 112 | V | 97.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -77.4 | -57.2 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | C66 I92 E108 L109 F110 | C66-V112 VanDerWaalsContact SG-CG2 3.6Å; I92-V112 HydrophobicContact CD1-CB 4.48Å; I92-V112 HydrophobicContact CD1-CG2 4.16Å; I92-V112 HydrophobicContact CG1-CB 4.26Å; I92-V112 HydrophobicContact CG1-CG2 4.44Å; I92-V112 HydrophobicContact CG2-CG1 4.41Å; E108-V112 WeakPolarHBondContact O-CG2 3.32Å; E108-V112 PolarHBondContact O-N 3.23Å; L109-V112 PolarHBondContact O-N 3.44Å; F110-V112 VanDerWaalsContact C-N 3.29Å; F110-V112 PolarHBondContact O-N 2.76Å |
| 113 | N | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -72.7 | -39.3 | -167 | -70.2 | 0.2 | 0 | 0 | 0 | 112.8 | G91 I92 L109 S157 V161 | G91-N113 WeakPolarHBondContact CA-OD1 2.95Å; I92-N113 PolarHBondContact N-OD1 2.82Å; I92-N113 PolarHBondContact O-ND2 3.4Å; I92-N113 PolarHBondContact O-OD1 2.99Å; L109-N113 HydrophobicContact CD2-CB 4.47Å; L109-N113 WeakPolarHBondContact CD2-ND2 3.34Å; L109-N113 VanDerWaalsContact O-CB 3.26Å; L109-N113 WeakPolarHBondContact O-CB 3.33Å; L109-N113 PolarHBondContact O-N 3.05Å; N113-S157 PolarHBondContact ND2-OG 3.26Å; N113-V161 WeakPolarHBondContact O-CG2 3.47Å |
| 114 | F | 98.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -105 | -61.6 | -173.8 | 176.7 | -107.6 | 0 | 0 | 0 | 111.5 | F110 G116 L117 V118 A160 V161 F164 | F110-F114 HydrophobicContact CD1-CB 4.04Å; F110-F114 HydrophobicContact CD1-CD1 4.44Å; F110-F114 HydrophobicContact CD1-CG 4.45Å; F110-F114 WeakPolarHBondContact O-CA 3.1Å; F110-F114 WeakPolarHBondContact O-CB 3.26Å; F110-F114 PolarHBondContact O-N 3.26Å; F114-G116 VanDerWaalsContact C-N 3.27Å; F114-G116 PolarHBondContact O-N 2.97Å; F114-L117 WeakPolarHBondContact O-CB 3.43Å; F114-L117 PolarHBondContact O-N 3.43Å; F114-L117 VanDerWaalsContact O-N 3.11Å; F114-V118 HydrophobicContact CD1-CG2 4.47Å; F114-V118 HydrophobicContact CD2-CG2 4.48Å; F114-V118 HydrophobicContact CE1-CG2 4.09Å; F114-V118 HydrophobicContact CE2-CG2 4.1Å; F114-V118 HydrophobicContact CZ-CG2 3.89Å; F114-V118 WeakPolarHBondContact O-CG2 3.49Å; F114-V118 PolarHBondContact O-N 3.45Å; F114-A160 HydrophobicContact CD2-CB 3.67Å; F114-A160 HydrophobicContact CE2-CB 3.96Å; F114-A160 HydrophobicContact CG-CB 4.19Å; F114-V161 HydrophobicContact CD2-CG2 4.46Å; F114-F164 HydrophobicContact CE2-CB 3.82Å; F114-F164 HydrophobicContact CE2-CG 4.29Å |
| 115 | F | 98.8 | Very high | 98.3 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -67.9 | -29.6 | -176.3 | -69.3 | -69.5 | 0 | 0 | 0 | 112.4 | F110 E111 L117 V118 R119 | F110-F115 PolarHBondContact O-N 2.84Å; E111-F115 CarbonylContact O-C 3.39Å; F115-L117 PolarHBondContact O-N 3.27Å; F115-V118 PolarHBondContact O-N 2.99Å; F115-R119 WeakPolarHBondContact O-CB 3.39Å; F115-R119 VanDerWaalsContact O-CG 3.26Å; F115-R119 WeakPolarHBondContact O-CG 3.44Å; F115-R119 PolarHBondContact O-N 2.95Å |
| 116 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A65 E111 F114 L120 | A65-G116 WeakPolarHBondContact O-CA 3.27Å; E111-G116 PolarHBondContact O-N 2.84Å; F114-G116 VanDerWaalsContact C-N 3.27Å; F114-G116 PolarHBondContact O-N 2.97Å; G116-L120 WeakPolarHBondContact O-CB 3.3Å; G116-L120 WeakPolarHBondContact O-CD1 3.3Å; G116-L120 WeakPolarHBondContact O-CG 3.5Å; G116-L120 PolarHBondContact O-N 3.5Å; G116-L120 VanDerWaalsContact O-N 3.11Å |
| 117 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 172.1 | 168.6 | 64.8 | 0 | 0 | 0 | 111.2 | N88 F114 F115 R119 L120 V121 V138 V161 F164 | N88-L117 HydrophobicContact CB-CD1 3.68Å; F114-L117 WeakPolarHBondContact O-CB 3.43Å; F114-L117 PolarHBondContact O-N 3.43Å; F114-L117 VanDerWaalsContact O-N 3.11Å; F115-L117 PolarHBondContact O-N 3.27Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 3.39Å; L117-L120 PolarHBondContact O-N 3Å; L117-V121 HydrophobicContact CD1-CG2 3.67Å; L117-V121 HydrophobicContact CG-CG2 4.36Å; L117-V121 WeakPolarHBondContact O-CB 3.29Å; L117-V121 WeakPolarHBondContact O-CG2 3.34Å; L117-V121 PolarHBondContact O-N 3.5Å; L117-V138 HydrophobicContact CD1-CG1 4.15Å; L117-V138 HydrophobicContact CD1-CG2 3.71Å; L117-V138 HydrophobicContact CD2-CG1 3.87Å; L117-V138 HydrophobicContact CD2-CG2 4.4Å; L117-V161 HydrophobicContact CD2-CB 4.28Å; L117-V161 HydrophobicContact CD2-CG1 3.78Å; L117-V161 HydrophobicContact CD2-CG2 3.93Å; L117-F164 HydrophobicContact CD2-CD1 3.81Å; L117-F164 HydrophobicContact CD2-CE1 4.1Å; L117-F164 HydrophobicContact CG-CD1 4.21Å; L117-F164 HydrophobicContact CG-CE1 4Å |
| 118 | V | 98.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | -178.4 | 173.7 | 0 | 0 | 0 | 0 | 111 | F114 F115 V121 K122 F164 | F114-V118 HydrophobicContact CD1-CG2 4.47Å; F114-V118 HydrophobicContact CD2-CG2 4.48Å; F114-V118 HydrophobicContact CE1-CG2 4.09Å; F114-V118 HydrophobicContact CE2-CG2 4.1Å; F114-V118 HydrophobicContact CZ-CG2 3.89Å; F114-V118 WeakPolarHBondContact O-CG2 3.49Å; F114-V118 PolarHBondContact O-N 3.45Å; F115-V118 PolarHBondContact O-N 2.99Å; V118-V121 PolarHBondContact O-N 3.36Å; V118-K122 WeakPolarHBondContact O-CB 3.39Å; V118-K122 PolarHBondContact O-N 3.1Å; V118-F164 HydrophobicContact CG2-CD2 4.16Å; V118-F164 HydrophobicContact CG2-CE1 4.38Å; V118-F164 HydrophobicContact CG2-CE2 3.95Å; V118-F164 HydrophobicContact CG2-CG 4.47Å; V118-F164 HydrophobicContact CG2-CZ 4.06Å |
| 119 | R | 98.8 | Very high | 98.5 | Very high | 49 Ų | 49 | 34 Ų | 34 | 19% | 0.185 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 178 | -70.6 | 168.8 | -171.9 | 113.1 | 5.6 | 111.8 | A65 E68 I71 E111 F115 L117 K122 E123 | A65-R119 WeakPolarHBondContact O-CD 3.45Å; E68-R119 HydrophobicContact CG-CG 4.38Å; I71-R119 HydrophobicContact CD1-CB 3.61Å; E111-R119 PolarHBondContact O-NH1 3.05Å; E111-R119 IonicContact OE2-CZ 2.71Å; E111-R119 VanDerWaalsContact OE2-CZ 3.26Å; E111-R119 IonicContact OE2-NH1 3.21Å; E111-R119 PolarHBondContact OE2-NH1 3Å; E111-R119 IonicContact OE2-NH2 4Å; E111-R119 PolarHBondContact OE2-NH2 3.1Å; F115-R119 WeakPolarHBondContact O-CB 3.39Å; F115-R119 VanDerWaalsContact O-CG 3.26Å; F115-R119 WeakPolarHBondContact O-CG 3.44Å; F115-R119 PolarHBondContact O-N 2.95Å; L117-R119 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 3.39Å; R119-K122 PolarHBondContact O-N 3.28Å; R119-E123 PolarHBondContact O-N 2.71Å |
| 120 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 178.4 | -80 | 163.4 | 0 | 0 | 0 | 112.1 | T9 L63 A65 I71 L86 N88 G116 L117 K122 E123 V124 | T9-L120 HydrophobicContact CG2-CD1 3.72Å; T9-L120 HydrophobicContact CG2-CD2 4.32Å; L63-L120 HydrophobicContact CD1-CD2 3.86Å; L63-L120 HydrophobicContact CD2-CD2 4.08Å; A65-L120 HydrophobicContact CB-CD1 4.31Å; I71-L120 HydrophobicContact CD1-CD2 4.37Å; I71-L120 HydrophobicContact CD1-CG 4.19Å; I71-L120 HydrophobicContact CG1-CD2 4.17Å; I71-L120 HydrophobicContact CG2-CD2 4.01Å; L86-L120 HydrophobicContact CD2-CB 4.21Å; N88-L120 WeakPolarHBondContact OD1-CD1 3.38Å; G116-L120 WeakPolarHBondContact O-CB 3.3Å; G116-L120 WeakPolarHBondContact O-CD1 3.3Å; G116-L120 WeakPolarHBondContact O-CG 3.5Å; G116-L120 PolarHBondContact O-N 3.5Å; G116-L120 VanDerWaalsContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 3Å; L120-K122 VanDerWaalsContact C-N 3.35Å; L120-E123 PolarHBondContact O-N 3.38Å; L120-V124 WeakPolarHBondContact O-CG2 3.42Å; L120-V124 PolarHBondContact O-N 3.32Å; L120-V124 VanDerWaalsContact O-N 3.09Å |
| 121 | V | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 177.2 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L86 L117 V118 E123 V124 L125 I136 F164 L168 | L86-V121 HydrophobicContact CD2-CG2 4.11Å; L117-V121 HydrophobicContact CD1-CG2 3.67Å; L117-V121 HydrophobicContact CG-CG2 4.36Å; L117-V121 WeakPolarHBondContact O-CB 3.29Å; L117-V121 WeakPolarHBondContact O-CG2 3.34Å; L117-V121 PolarHBondContact O-N 3.5Å; V118-V121 PolarHBondContact O-N 3.36Å; V121-E123 PolarHBondContact O-N 3.11Å; V121-V124 PolarHBondContact O-N 3.46Å; V121-L125 HydrophobicContact CG1-CB 4.32Å; V121-L125 HydrophobicContact CG1-CD2 4.37Å; V121-L125 WeakPolarHBondContact O-CB 3.44Å; V121-L125 PolarHBondContact O-N 3.28Å; V121-I136 HydrophobicContact CG1-CD1 4.16Å; V121-I136 HydrophobicContact CG2-CD1 4.44Å; V121-I136 HydrophobicContact CG2-CG2 4.08Å; V121-F164 HydrophobicContact CB-CE1 4.38Å; V121-F164 HydrophobicContact CB-CZ 4.26Å; V121-F164 HydrophobicContact CG1-CE1 4.44Å; V121-F164 HydrophobicContact CG1-CZ 4.12Å; V121-F164 HydrophobicContact CG2-CE1 4.22Å; V121-L168 HydrophobicContact CG1-CD2 3.55Å |
| 122 | K | 98.3 | Very high | 98.4 | Very high | 136 Ų | 136 | 45 Ų | 45 | 59% | 0.591 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -57.1 | -36.7 | 176.8 | -178.4 | -177 | 170 | -166.7 | 0 | 112.2 | V118 R119 L120 P126 | V118-K122 WeakPolarHBondContact O-CB 3.39Å; V118-K122 PolarHBondContact O-N 3.1Å; R119-K122 PolarHBondContact O-N 3.28Å; L120-K122 VanDerWaalsContact C-N 3.35Å; K122-P126 WeakPolarHBondContact O-CD 3.2Å |
| 123 | E | 98.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 17% | 0.173 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -76.6 | -40.1 | 179.9 | -174.3 | 64.9 | -164.6 | 0 | 0 | 113.1 | I71 I75 R81 R119 L120 V121 | I71-E123 HydrophobicContact CG2-CB 3.85Å; I71-E123 HydrophobicContact CG2-CG 3.9Å; I75-E123 HydrophobicContact CB-CG 4.3Å; I75-E123 HydrophobicContact CD1-CB 3.88Å; I75-E123 HydrophobicContact CD1-CG 3.31Å; I75-E123 HydrophobicContact CG1-CG 4.35Å; I75-E123 HydrophobicContact CG2-CG 4.31Å; R81-E123 IonicContact CZ-OE1 2.67Å; R81-E123 IonicContact NH1-OE1 3.26Å; R81-E123 PolarHBondContact NH1-OE1 3.1Å; R81-E123 IonicContact NH2-OE1 2.95Å; R81-E123 PolarHBondContact NH2-OE1 3.28Å; R119-E123 PolarHBondContact O-N 2.71Å; L120-E123 PolarHBondContact O-N 3.38Å; V121-E123 PolarHBondContact O-N 3.11Å |
| 124 | V | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -88.3 | -27.4 | -176.4 | -55.8 | 0 | 0 | 0 | 0 | 114.1 | I75 V83 L86 L120 V121 D127 M128 | I75-V124 HydrophobicContact CD1-CG1 3.56Å; I75-V124 HydrophobicContact CG1-CG1 4.47Å; V83-V124 HydrophobicContact CB-CG1 4.3Å; V83-V124 HydrophobicContact CG1-CG1 4.49Å; V83-V124 HydrophobicContact CG2-CG1 4.22Å; L86-V124 HydrophobicContact CB-CG2 4.45Å; L86-V124 HydrophobicContact CD2-CG2 3.84Å; L120-V124 WeakPolarHBondContact O-CG2 3.42Å; L120-V124 PolarHBondContact O-N 3.32Å; L120-V124 VanDerWaalsContact O-N 3.09Å; V121-V124 PolarHBondContact O-N 3.46Å; V124-D127 PolarHBondContact O-N 2.96Å; V124-M128 HydrophobicContact CB-CE 4.44Å; V124-M128 HydrophobicContact CG2-CE 4.09Å; V124-M128 HydrophobicContact CG2-SD 4.27Å; V124-M128 PolarHBondContact O-N 3.24Å; V124-M128 VanDerWaalsContact O-N 3.16Å |
| 125 | L | 98.4 | Very high | 98.4 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.094 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | -171.7 | -177.8 | 67 | 0 | 0 | 0 | 114.1 | V121 D127 M128 K129 I136 L168 I177 | V121-L125 HydrophobicContact CG1-CB 4.32Å; V121-L125 HydrophobicContact CG1-CD2 4.37Å; V121-L125 WeakPolarHBondContact O-CB 3.44Å; V121-L125 PolarHBondContact O-N 3.28Å; L125-D127 VanDerWaalsContact C-N 3.33Å; L125-D127 PolarHBondContact O-N 3.16Å; L125-M128 PolarHBondContact O-N 3.22Å; L125-K129 HydrophobicContact CD1-CD 4.4Å; L125-K129 HydrophobicContact CD1-CG 4.17Å; L125-K129 HydrophobicContact CG-CD 4.04Å; L125-K129 HydrophobicContact CG-CG 4.25Å; L125-K129 WeakPolarHBondContact O-CB 3.44Å; L125-K129 VanDerWaalsContact O-CG 3.3Å; L125-K129 WeakPolarHBondContact O-CG 3.28Å; L125-K129 PolarHBondContact O-N 3.09Å; L125-I136 HydrophobicContact CD1-CD1 4.31Å; L125-L168 HydrophobicContact CD2-CD1 3.9Å; L125-I177 HydrophobicContact CD1-CD1 3.74Å |
| 126 | P | 98 | Very high | 98.4 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 53% | 0.532 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58 | -43.8 | 179 | -26.2 | 35.8 | 0 | 0 | 0 | 113.2 | K122 K129 Q130 | K122-P126 WeakPolarHBondContact O-CD 3.2Å; P126-K129 PolarHBondContact O-N 2.85Å; P126-Q130 PolarHBondContact O-N 3.49Å |
| 127 | D | 98.1 | Very high | 98.4 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.5 | -42 | 178.8 | 170.3 | 63.8 | 0 | 0 | 0 | 111.8 | V124 L125 K129 Q130 R131 | V124-D127 PolarHBondContact O-N 2.96Å; L125-D127 VanDerWaalsContact C-N 3.33Å; L125-D127 PolarHBondContact O-N 3.16Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.27Å; D127-Q130 PolarHBondContact O-N 3.27Å; D127-R131 PolarHBondContact O-N 3.17Å; D127-R131 VanDerWaalsContact O-N 3.08Å; D127-R131 IonicContact OD1-CZ 3.42Å; D127-R131 IonicContact OD1-NH1 2.91Å; D127-R131 PolarHBondContact OD1-NH1 2.95Å; D127-R131 IonicContact OD2-CZ 3.19Å; D127-R131 IonicContact OD2-NH1 3.8Å; D127-R131 PolarHBondContact OD2-NH1 2.97Å; D127-R131 IonicContact OD2-NH2 2.77Å; D127-R131 PolarHBondContact OD2-NH2 3.34Å |
| 128 | M | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 171.6 | -69.9 | -176.6 | 172.6 | 0 | 0 | 112.2 | V83 L86 V124 L125 R131 Q132 S133 I136 I177 | V83-M128 HydrophobicContact CG1-CE 4.25Å; V83-M128 VanDerWaalsContact O-CE 3.29Å; V83-M128 WeakPolarHBondContact O-CE 3.45Å; L86-M128 HydrophobicContact CB-CE 4.38Å; V124-M128 HydrophobicContact CB-CE 4.44Å; V124-M128 HydrophobicContact CG2-CE 4.09Å; V124-M128 HydrophobicContact CG2-SD 4.27Å; V124-M128 PolarHBondContact O-N 3.24Å; V124-M128 VanDerWaalsContact O-N 3.16Å; L125-M128 PolarHBondContact O-N 3.22Å; M128-R131 PolarHBondContact O-N 3.4Å; M128-Q132 PolarHBondContact O-N 3.44Å; M128-S133 PolarHBondContact O-N 2.73Å; M128-S133 VanDerWaalsContact O-N 3.14Å; M128-I136 HydrophobicContact CE-CG1 4.43Å; M128-I136 HydrophobicContact SD-CD1 4.4Å; M128-I136 HydrophobicContact SD-CG1 4Å; M128-I177 HydrophobicContact CB-CD1 3.57Å; M128-I177 HydrophobicContact CB-CG1 4.03Å; M128-I177 HydrophobicContact SD-CG2 4.17Å |
| 129 | K | 98.5 | Very high | 98.4 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 21% | 0.213 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 177.8 | -77.1 | 176.9 | 169.8 | 172.7 | 0 | 111.8 | L125 P126 D127 R131 Q132 F175 I177 | L125-K129 HydrophobicContact CD1-CD 4.4Å; L125-K129 HydrophobicContact CD1-CG 4.17Å; L125-K129 HydrophobicContact CG-CD 4.04Å; L125-K129 HydrophobicContact CG-CG 4.25Å; L125-K129 WeakPolarHBondContact O-CB 3.44Å; L125-K129 VanDerWaalsContact O-CG 3.3Å; L125-K129 WeakPolarHBondContact O-CG 3.28Å; L125-K129 PolarHBondContact O-N 3.09Å; P126-K129 PolarHBondContact O-N 2.85Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.27Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 2.88Å; K129-Q132 PolarHBondContact O-N 3Å; K129-Q132 VanDerWaalsContact O-N 3.16Å; K129-F175 HydrophobicContact CB-CD1 3.87Å; K129-F175 HydrophobicContact CB-CE1 4.28Å; K129-F175 HydrophobicContact CB-CG 4.17Å; K129-F175 HydrophobicContact CD-CD1 4.48Å; K129-F175 HydrophobicContact CD-CD2 4.25Å; K129-F175 HydrophobicContact CD-CE1 4.4Å; K129-F175 HydrophobicContact CD-CE2 4.18Å; K129-F175 HydrophobicContact CD-CG 4.42Å; K129-F175 HydrophobicContact CD-CZ 4.25Å; K129-F175 HydrophobicContact CG-CB 4.13Å; K129-F175 HydrophobicContact CG-CD1 3.88Å; K129-F175 HydrophobicContact CG-CD2 3.94Å; K129-F175 HydrophobicContact CG-CE1 4.27Å; K129-F175 HydrophobicContact CG-CE2 4.34Å; K129-F175 HydrophobicContact CG-CG 3.71Å; K129-F175 HydrophobicContact CG-CZ 4.49Å; K129-I177 HydrophobicContact CB-CD1 4.45Å; K129-I177 HydrophobicContact CG-CD1 3.74Å |
| 130 | Q | 98 | Very high | 98.4 | Very high | 165 Ų | 165 | 37.8 Ų | 37.8 | 77% | 0.771 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -61 | -41 | 177.7 | -175.3 | 178.9 | 8.7 | 0 | 0 | 111.8 | P126 D127 Q132 | P126-Q130 PolarHBondContact O-N 3.49Å; D127-Q130 PolarHBondContact O-N 3.27Å; Q130-Q132 VanDerWaalsContact C-N 3.3Å |
| 131 | R | 97.3 | Very high | 98.3 | Very high | 72 Ų | 72 | 38.3 Ų | 38.3 | 27% | 0.272 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -7.7 | 177 | -67.8 | -161.4 | -62 | -96.6 | -9.9 | 114.7 | Q82 V83 D127 M128 K129 S133 | Q82-R131 VanDerWaalsContact CG-CZ 3.46Å; Q82-R131 VanDerWaalsContact CG-NH1 3.31Å; V83-R131 PolarHBondContact O-NH2 3.05Å; D127-R131 PolarHBondContact O-N 3.17Å; D127-R131 VanDerWaalsContact O-N 3.08Å; D127-R131 IonicContact OD1-CZ 3.42Å; D127-R131 IonicContact OD1-NH1 2.91Å; D127-R131 PolarHBondContact OD1-NH1 2.95Å; D127-R131 IonicContact OD2-CZ 3.19Å; D127-R131 IonicContact OD2-NH1 3.8Å; D127-R131 PolarHBondContact OD2-NH1 2.97Å; D127-R131 IonicContact OD2-NH2 2.77Å; D127-R131 PolarHBondContact OD2-NH2 3.34Å; M128-R131 PolarHBondContact O-N 3.4Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 2.88Å; R131-S133 PolarHBondContact O-N 3.38Å |
| 132 | Q | 98.1 | Very high | 98.1 | Very high | 115 Ų | 115 | 38.5 Ų | 38.5 | 54% | 0.537 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 41.2 | -170.6 | -58.2 | -162 | -49.1 | 0 | 0 | 113.4 | M128 K129 Q130 F175 N176 | M128-Q132 PolarHBondContact O-N 3.44Å; K129-Q132 PolarHBondContact O-N 3Å; K129-Q132 VanDerWaalsContact O-N 3.16Å; Q130-Q132 VanDerWaalsContact C-N 3.3Å; Q132-F175 CarbonylContact C-O 3.54Å; Q132-F175 WeakPolarHBondContact CA-O 3.45Å; Q132-N176 WeakPolarHBondContact O-CB 3.38Å; Q132-N176 PolarHBondContact O-ND2 3.35Å |
| 133 | S | 98 | Very high | 97.9 | Very high | 56 Ų | 56 | 33 Ų | 33 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | trans | -161 | 133.4 | -178.7 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | M128 R131 | M128-S133 PolarHBondContact O-N 2.73Å; M128-S133 VanDerWaalsContact O-N 3.14Å; R131-S133 PolarHBondContact O-N 3.38Å | ||
| 134 | G | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | 164.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D84 I177 K178 | D84-G134 CarbonylContact O-C 3.51Å; D84-G134 WeakPolarHBondContact O-CA 3.49Å; G134-I177 WeakPolarHBondContact O-CA 3.44Å; G134-K178 PolarHBondContact O-N 2.88Å |
| 135 | H | 98.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 117.9 | 171 | -165.8 | 176.3 | 0 | 0 | 0 | 110.1 | D84 V85 L86 K178 T180 | D84-H135 PolarHBondContact O-N 3.34Å; V85-H135 CarbonylContact C-O 3.54Å; V85-H135 VanDerWaalsContact CA-O 3.27Å; V85-H135 WeakPolarHBondContact CA-O 3.22Å; V85-H135 HydrophobicContact CG1-CB 4.33Å; V85-H135 HydrophobicContact CG2-CB 4.23Å; L86-H135 PolarHBondContact N-O 2.89Å; H135-K178 CarbonylContact C-O 3.6Å; H135-K178 WeakPolarHBondContact CA-O 3.35Å; H135-K178 HydrophobicContact CB-CB 4.29Å; H135-K178 PolarHBondContact CD2-O 3.37Å; H135-T180 PolarHBondContact NE2-OG1 2.99Å |
| 136 | I | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 107.5 | 173.7 | -59.1 | 170.9 | 0 | 0 | 0 | 107.6 | L86 V121 L125 M128 V138 L168 I177 K178 T179 T180 | L86-I136 HydrophobicContact CD2-CG2 4.44Å; V121-I136 HydrophobicContact CG1-CD1 4.16Å; V121-I136 HydrophobicContact CG2-CD1 4.44Å; V121-I136 HydrophobicContact CG2-CG2 4.08Å; L125-I136 HydrophobicContact CD1-CD1 4.31Å; M128-I136 HydrophobicContact CE-CG1 4.43Å; M128-I136 HydrophobicContact SD-CD1 4.4Å; M128-I136 HydrophobicContact SD-CG1 4Å; I136-V138 HydrophobicContact CG2-CG2 3.85Å; I136-L168 HydrophobicContact CD1-CD2 4.21Å; I136-I177 HydrophobicContact CD1-CG2 4.28Å; I136-I177 HydrophobicContact CG1-CG2 4.38Å; I136-K178 PolarHBondContact N-O 2.94Å; I136-T179 CarbonylContact O-C 3.59Å; I136-T179 VanDerWaalsContact O-CA 3.27Å; I136-T179 WeakPolarHBondContact O-CA 3.41Å; I136-T180 PolarHBondContact O-N 3.46Å |
| 137 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.8 | 175 | -177 | 0 | 0 | 0 | 0 | 108.3 | V85 L86 V87 N88 T180 V182 T241 I245 | V85-V137 HydrophobicContact CG1-CG2 4.24Å; L86-V137 WeakPolarHBondContact O-CA 3.06Å; L86-V137 PolarHBondContact O-N 3.3Å; L86-V137 VanDerWaalsContact O-O 3.12Å; V87-V137 CarbonylContact C-O 3.56Å; V87-V137 VanDerWaalsContact CA-O 3.28Å; V87-V137 WeakPolarHBondContact CA-O 3.33Å; V87-V137 HydrophobicContact CG2-CB 4.29Å; N88-V137 PolarHBondContact N-O 2.99Å; V137-T180 CarbonylContact C-O 3.59Å; V137-T180 VanDerWaalsContact CA-O 3.3Å; V137-T180 WeakPolarHBondContact CA-O 3.49Å; V137-V182 HydrophobicContact CG1-CG2 3.78Å; V137-T241 HydrophobicContact CG1-CG2 4.22Å; V137-I245 HydrophobicContact CG2-CD1 4.46Å; V137-I245 HydrophobicContact CG2-CG1 3.85Å |
| 138 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.8 | -176.5 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | N88 L117 I136 S140 V161 T180 L181 V182 | N88-V138 HydrophobicContact CB-CG2 4.39Å; L117-V138 HydrophobicContact CD1-CG1 4.15Å; L117-V138 HydrophobicContact CD1-CG2 3.71Å; L117-V138 HydrophobicContact CD2-CG1 3.87Å; L117-V138 HydrophobicContact CD2-CG2 4.4Å; I136-V138 HydrophobicContact CG2-CG2 3.85Å; V138-S140 PolarHBondContact O-N 2.74Å; V138-S140 VanDerWaalsContact O-N 3.15Å; V138-V161 HydrophobicContact CG1-CG1 3.54Å; V138-T180 PolarHBondContact N-O 2.89Å; V138-L181 HydrophobicContact CB-CD2 4.24Å; V138-L181 HydrophobicContact CG1-CD2 4.42Å; V138-L181 WeakPolarHBondContact O-CA 3.16Å; V138-V182 PolarHBondContact O-N 2.66Å |
| 139 | M | 98.6 | Very high | 96.3 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 94.3 | 173.3 | -156 | 60.4 | 59.1 | 0 | 0 | 109.2 | I15 N88 N89 K158 V182 P184 V237 | I15-M139 HydrophobicContact CD1-CG 4.39Å; I15-M139 HydrophobicContact CG2-CE 3.59Å; I15-M139 HydrophobicContact CG2-CG 4.36Å; I15-M139 HydrophobicContact CG2-SD 4.06Å; N88-M139 PolarHBondContact O-N 2.86Å; N89-M139 HydrophobicContact CB-CB 4.08Å; M139-K158 PolarHBondContact O-NZ 2.82Å; M139-V182 HydrophobicContact CE-CB 4.14Å; M139-V182 HydrophobicContact CE-CG1 4.11Å; M139-V182 HydrophobicContact SD-CB 3.84Å; M139-V182 HydrophobicContact SD-CG1 3.67Å; M139-P184 HydrophobicContact CG-CG 4.23Å; M139-P184 HydrophobicContact SD-CG 3.45Å; M139-P184 WeakPolarHBondContact SD-CG 3.45Å; M139-V237 HydrophobicContact CE-CG1 4.11Å; M139-V237 HydrophobicContact SD-CG1 3.92Å |
| 140 | S | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | trans | -81.2 | -140.6 | 174.2 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | V138 E162 V182 | V138-S140 PolarHBondContact O-N 2.74Å; V138-S140 VanDerWaalsContact O-N 3.15Å; S140-E162 WeakPolarHBondContact CB-OE1 3.26Å; S140-E162 PolarHBondContact OG-OE1 2.93Å; S140-V182 WeakPolarHBondContact CA-O 3.47Å; S140-V182 WeakPolarHBondContact CB-O 3.49Å; S140-V182 PolarHBondContact N-O 3.26Å | ||
| 141 | S | 96.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 23.5 Ų | 23.5 | 8% | 0.077 | 13% | 0.129 | C | C | . | . | trans | -168.1 | 157.1 | 176.2 | 177 | 0 | 0 | 0 | 0 | 108.9 | M143 G144 | S141-M143 PolarHBondContact O-N 2.75Å; S141-M143 VanDerWaalsContact O-N 3.15Å; S141-M143 PolarHBondContact OG-N 3.35Å; S141-G144 WeakPolarHBondContact O-CA 3.42Å; S141-G144 PolarHBondContact O-N 3.16Å | ||
| 142 | V | 94.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 6% | 0.055 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -54.8 | -26.5 | 162 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | G144 I145 Q146 P184 Y260 T264 | V142-G144 PolarHBondContact O-N 2.83Å; V142-I145 WeakPolarHBondContact O-CB 3.49Å; V142-I145 PolarHBondContact O-N 2.85Å; V142-Q146 PolarHBondContact O-N 3.41Å; V142-P184 WeakPolarHBondContact CG1-O 3.28Å; V142-P184 PolarHBondContact N-O 3.15Å; V142-Y260 HydrophobicContact CB-CD1 3.92Å; V142-Y260 HydrophobicContact CB-CE1 4.05Å; V142-Y260 HydrophobicContact CG1-CD1 3.78Å; V142-Y260 HydrophobicContact CG1-CE1 4.4Å; V142-Y260 HydrophobicContact CG1-CG 4.31Å; V142-Y260 HydrophobicContact CG2-CD1 4.04Å; V142-Y260 HydrophobicContact CG2-CE1 3.86Å; V142-T264 HydrophobicContact CB-CG2 4.42Å; V142-T264 HydrophobicContact CG1-CG2 4.41Å |
| 143 | M | 94.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 19.3 Ų | 19.3 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -74.5 | -7.6 | 173.1 | -69.8 | 174.4 | 175.3 | 0 | 0 | 114.1 | S141 I145 Q146 L148 N151 Y154 S155 F159 | S141-M143 PolarHBondContact O-N 2.75Å; S141-M143 VanDerWaalsContact O-N 3.15Å; S141-M143 PolarHBondContact OG-N 3.35Å; M143-I145 VanDerWaalsContact C-N 3.3Å; M143-Q146 WeakPolarHBondContact CA-O 3.31Å; M143-L148 HydrophobicContact CE-CB 3.97Å; M143-L148 HydrophobicContact CE-CD1 3.34Å; M143-L148 HydrophobicContact CE-CG 4.18Å; M143-L148 HydrophobicContact CG-CB 4.5Å; M143-L148 HydrophobicContact CG-CD1 3.73Å; M143-L148 HydrophobicContact CG-CG 4.18Å; M143-L148 HydrophobicContact SD-CD1 4.31Å; M143-N151 HydrophobicContact CE-CB 4.07Å; M143-N151 VanDerWaalsContact CE-CG 3.41Å; M143-N151 VanDerWaalsContact CE-OD1 3.23Å; M143-N151 WeakPolarHBondContact CE-OD1 3.1Å; M143-N151 HydrophobicContact SD-CB 4.04Å; M143-Y154 HydrophobicContact CB-CD1 4.3Å; M143-Y154 HydrophobicContact CB-CE1 4.12Å; M143-Y154 HydrophobicContact CG-CE1 4.45Å; M143-Y154 HydrophobicContact SD-CD1 3.44Å; M143-Y154 WeakPolarHBondContact SD-CD1 3.48Å; M143-Y154 HydrophobicContact SD-CE1 3.48Å; M143-Y154 WeakPolarHBondContact SD-CE1 3.49Å; M143-S155 WeakPolarHBondContact O-CA 3.34Å; M143-F159 WeakPolarHBondContact O-CD2 3.28Å; M143-F159 WeakPolarHBondContact O-CE2 3.43Å |
| 144 | G | 95.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -79.9 | -15.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S141 V142 F159 E162 | S141-G144 WeakPolarHBondContact O-CA 3.42Å; S141-G144 PolarHBondContact O-N 3.16Å; V142-G144 PolarHBondContact O-N 2.83Å; G144-F159 VanDerWaalsContact O-CD1 3.28Å; G144-F159 WeakPolarHBondContact O-CD1 3.38Å; G144-F159 WeakPolarHBondContact O-CD2 3.49Å; G144-F159 WeakPolarHBondContact O-CE1 3.22Å; G144-F159 VanDerWaalsContact O-CG 3.32Å; G144-F159 WeakPolarHBondContact O-CG 3.35Å; G144-E162 WeakPolarHBondContact O-CG 3.3Å |
| 145 | I | 93.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 17.9 Ų | 17.9 | 7% | 0.067 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -40.9 | -179.7 | -49 | 174.2 | 0 | 0 | 0 | 110.4 | V142 M143 F159 E183 Q255 T264 K267 | V142-I145 WeakPolarHBondContact O-CB 3.49Å; V142-I145 PolarHBondContact O-N 2.85Å; M143-I145 VanDerWaalsContact C-N 3.3Å; I145-F159 WeakPolarHBondContact O-CZ 3.46Å; I145-E183 HydrophobicContact CD1-CB 4.4Å; I145-E183 VanDerWaalsContact CD1-CD 3.46Å; I145-E183 HydrophobicContact CD1-CG 4.27Å; I145-E183 WeakPolarHBondContact CD1-OE2 3.19Å; I145-Q255 HydrophobicContact CD1-CG 4.36Å; I145-T264 HydrophobicContact CB-CG2 4.33Å; I145-T264 HydrophobicContact CD1-CG2 4.13Å; I145-T264 HydrophobicContact CG2-CG2 4.26Å; I145-K267 WeakPolarHBondContact O-CD 3.41Å; I145-K267 WeakPolarHBondContact O-CE 3.43Å; I145-K267 PolarHBondContact O-NZ 3.4Å |
| 146 | Q | 90.8 | Very high | 96 | Very high | 31 Ų | 31 | 19.4 Ų | 19.4 | 15% | 0.145 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -137 | 128.4 | -176.4 | 174.2 | 58.6 | 60.4 | 0 | 0 | 110.6 | V142 M143 K267 F280 | V142-Q146 PolarHBondContact O-N 3.41Å; M143-Q146 WeakPolarHBondContact CA-O 3.31Å; Q146-K267 HydrophobicContact CB-CD 4.32Å; Q146-F280 HydrophobicContact CG-CE2 3.77Å; Q146-F280 HydrophobicContact CG-CZ 4.25Å |
| 147 | G | 92.1 | Very high | 96 | Very high | 32 Ų | 32 | 19.4 Ų | 19.4 | 33% | 0.33 | 11% | 0.114 | S | C | . | . | trans | -68.5 | 144 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 148 | L | 90.9 | Very high | 96 | Very high | 29 Ų | 29 | 20 Ų | 20 | 15% | 0.152 | 12% | 0.117 | C | C | . | . | trans | -124.6 | 144.8 | 178.3 | -69.6 | 179.9 | 0 | 0 | 0 | 110.4 | M143 F150 N151 F280 | M143-L148 HydrophobicContact CE-CB 3.97Å; M143-L148 HydrophobicContact CE-CD1 3.34Å; M143-L148 HydrophobicContact CE-CG 4.18Å; M143-L148 HydrophobicContact CG-CB 4.5Å; M143-L148 HydrophobicContact CG-CD1 3.73Å; M143-L148 HydrophobicContact CG-CG 4.18Å; M143-L148 HydrophobicContact SD-CD1 4.31Å; L148-F150 PolarHBondContact O-N 3.39Å; L148-N151 HydrophobicContact CB-CB 4.47Å; L148-N151 WeakPolarHBondContact O-CB 3.17Å; L148-N151 PolarHBondContact O-N 3.43Å; L148-F280 HydrophobicContact CD2-CD1 4.01Å; L148-F280 HydrophobicContact CD2-CE1 3.3Å; L148-F280 HydrophobicContact CD2-CE2 4.4Å; L148-F280 HydrophobicContact CD2-CZ 3.53Å | ||
| 149 | L | 93.6 | Very high | 96 | Very high | 59 Ų | 59 | 23.4 Ų | 23.4 | 31% | 0.309 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 135.3 | -179.2 | -176.1 | 67 | 0 | 0 | 0 | 111.1 | N151 I214 Y219 I284 F285 | L149-N151 PolarHBondContact O-N 2.81Å; L149-N151 VanDerWaalsContact O-N 3.12Å; L149-N151 PolarHBondContact O-ND2 2.93Å; L149-I214 HydrophobicContact CD2-CG2 4.28Å; L149-Y219 HydrophobicContact CB-CD2 4.38Å; L149-Y219 HydrophobicContact CD2-CD2 4.43Å; L149-Y219 WeakPolarHBondContact O-CE2 3.29Å; L149-I284 HydrophobicContact CB-CD1 4.42Å; L149-I284 HydrophobicContact CD2-CD1 4.19Å; L149-I284 HydrophobicContact CD2-CG2 4.45Å; L149-F285 HydrophobicContact CD2-CZ 4.01Å |
| 150 | F | 96.1 | Very high | 96 | Very high | 13 Ų | 13 | 24.4 Ų | 24.4 | 6% | 0.057 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 14 | -178.1 | -56 | -59.6 | 0 | 0 | 0 | 116.2 | I95 G96 P97 L148 D152 T211 I214 F215 Y219 | I95-F150 VanDerWaalsContact CA-O 3.31Å; I95-F150 WeakPolarHBondContact CA-O 3.49Å; G96-F150 PolarHBondContact N-O 2.91Å; P97-F150 HydrophobicContact CB-CE1 4.34Å; P97-F150 HydrophobicContact CG-CD1 4.35Å; P97-F150 HydrophobicContact CG-CE1 4.12Å; L148-F150 PolarHBondContact O-N 3.39Å; F150-D152 WeakPolarHBondContact CA-OD2 3.45Å; F150-T211 HydrophobicContact CE1-CG2 3.92Å; F150-T211 HydrophobicContact CZ-CG2 4.29Å; F150-I214 HydrophobicContact CE2-CG2 3.82Å; F150-I214 HydrophobicContact CZ-CB 4.33Å; F150-I214 HydrophobicContact CZ-CG2 3.89Å; F150-F215 HydrophobicContact CB-CD2 4.13Å; F150-F215 HydrophobicContact CB-CE2 4.2Å; F150-F215 HydrophobicContact CD1-CD2 4.18Å; F150-F215 HydrophobicContact CD2-CB 4.4Å; F150-F215 AromaticContact CD2-CD2 3.55Å; F150-F215 HydrophobicContact CD2-CD2 3.55Å; F150-F215 HydrophobicContact CD2-CE2 4.36Å; F150-F215 HydrophobicContact CD2-CG 4.46Å; F150-F215 HydrophobicContact CE1-CB 4.25Å; F150-F215 HydrophobicContact CE1-CD2 4.45Å; F150-F215 VanDerWaalsContact CE2-CA 3.48Å; F150-F215 HydrophobicContact CE2-CB 3.81Å; F150-F215 AromaticContact CE2-CD2 3.85Å; F150-F215 HydrophobicContact CE2-CD2 3.85Å; F150-F215 HydrophobicContact CE2-CG 4.35Å; F150-F215 AromaticContact CG-CD2 3.71Å; F150-F215 HydrophobicContact CG-CD2 3.71Å; F150-F215 HydrophobicContact CG-CE2 4.27Å; F150-F215 HydrophobicContact CZ-CB 3.72Å; F150-F215 HydrophobicContact CZ-CD2 4.29Å; F150-F215 HydrophobicContact CZ-CG 4.48Å; F150-Y219 HydrophobicContact CB-CD1 4.35Å; F150-Y219 HydrophobicContact CB-CE1 4.29Å; F150-Y219 AromaticContact CD2-CD1 3.79Å; F150-Y219 HydrophobicContact CD2-CD1 3.79Å; F150-Y219 AromaticContact CD2-CD2 3.88Å; F150-Y219 HydrophobicContact CD2-CD2 3.88Å; F150-Y219 AromaticContact CD2-CG 3.45Å; F150-Y219 HydrophobicContact CD2-CG 3.45Å; F150-Y219 VanDerWaalsContact CD2-CG 3.45Å; F150-Y219 HydrophobicContact CE2-CG 4.11Å; F150-Y219 HydrophobicContact CG-CG 4.48Å |
| 151 | N | 96.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -115.7 | 29.8 | 173.2 | -65.1 | -103 | 0 | 0 | 0 | 110.5 | I95 M143 L148 L149 I153 Y154 S155 Y219 | I95-N151 WeakPolarHBondContact CG1-OD1 3.36Å; M143-N151 HydrophobicContact CE-CB 4.07Å; M143-N151 VanDerWaalsContact CE-CG 3.41Å; M143-N151 VanDerWaalsContact CE-OD1 3.23Å; M143-N151 WeakPolarHBondContact CE-OD1 3.1Å; M143-N151 HydrophobicContact SD-CB 4.04Å; L148-N151 HydrophobicContact CB-CB 4.47Å; L148-N151 WeakPolarHBondContact O-CB 3.17Å; L148-N151 PolarHBondContact O-N 3.43Å; L149-N151 PolarHBondContact O-N 2.81Å; L149-N151 VanDerWaalsContact O-N 3.12Å; L149-N151 PolarHBondContact O-ND2 2.93Å; N151-I153 PolarHBondContact O-N 2.9Å; N151-Y154 PolarHBondContact O-N 3.45Å; N151-S155 WeakPolarHBondContact O-CB 3.4Å; N151-S155 PolarHBondContact O-N 2.8Å; N151-S155 PolarHBondContact O-OG 3.11Å; N151-Y219 PolarHBondContact ND2-OH 3.24Å | ||
| 152 | D | 97.3 | Very high | 96.1 | Very high | 72 Ų | 72 | 24.3 Ų | 24.3 | 39% | 0.385 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -56.6 | -51.7 | -164.9 | -52.9 | -84.8 | 0 | 0 | 0 | 111.5 | L98 F150 A156 | L98-D152 HydrophobicContact CD1-CB 4.36Å; F150-D152 WeakPolarHBondContact CA-OD2 3.45Å; D152-A156 VanDerWaalsContact O-CB 3.31Å; D152-A156 WeakPolarHBondContact O-CB 2.94Å; D152-A156 PolarHBondContact O-N 2.72Å |
| 153 | I | 97.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 25.5 Ų | 25.5 | 14% | 0.138 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.6 | -38.7 | -177.6 | -57.5 | -59.7 | 0 | 0 | 0 | 112.1 | M94 L98 M106 L109 F110 N151 A156 S157 | M94-I153 HydrophobicContact SD-CB 3.94Å; M94-I153 HydrophobicContact SD-CG1 4.36Å; M94-I153 HydrophobicContact SD-CG2 4.01Å; L98-I153 HydrophobicContact CD1-CD1 4.04Å; L98-I153 HydrophobicContact CD1-CG1 4.08Å; M106-I153 HydrophobicContact CB-CG2 3.9Å; M106-I153 HydrophobicContact CE-CD1 4.19Å; M106-I153 HydrophobicContact CE-CG1 3.95Å; M106-I153 HydrophobicContact CG-CB 4.44Å; M106-I153 HydrophobicContact CG-CD1 4.17Å; M106-I153 HydrophobicContact CG-CG1 3.82Å; M106-I153 HydrophobicContact CG-CG2 3.99Å; M106-I153 HydrophobicContact SD-CD1 3.59Å; M106-I153 VanDerWaalsContact SD-CD1 3.59Å; M106-I153 HydrophobicContact SD-CG1 3.76Å; L109-I153 HydrophobicContact CD1-CG2 4.39Å; L109-I153 HydrophobicContact CD2-CG2 4.17Å; F110-I153 HydrophobicContact CD2-CG2 4.38Å; F110-I153 HydrophobicContact CE2-CG2 4.15Å; N151-I153 PolarHBondContact O-N 2.9Å; I153-A156 PolarHBondContact O-N 2.74Å; I153-S157 PolarHBondContact O-N 3.05Å |
| 154 | Y | 97.9 | Very high | 96.6 | Very high | 27 Ų | 27 | 27 Ų | 27 | 11% | 0.106 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 175.1 | 176.8 | -103.9 | 0 | 0 | 0 | 111.4 | I92 L109 M143 N151 S157 K158 F191 | I92-Y154 WeakPolarHBondContact O-CD2 3.28Å; I92-Y154 WeakPolarHBondContact O-CE2 3.24Å; L109-Y154 HydrophobicContact CD1-CD2 4.45Å; M143-Y154 HydrophobicContact CB-CD1 4.3Å; M143-Y154 HydrophobicContact CB-CE1 4.12Å; M143-Y154 HydrophobicContact CG-CE1 4.45Å; M143-Y154 HydrophobicContact SD-CD1 3.44Å; M143-Y154 WeakPolarHBondContact SD-CD1 3.48Å; M143-Y154 HydrophobicContact SD-CE1 3.48Å; M143-Y154 WeakPolarHBondContact SD-CE1 3.49Å; N151-Y154 PolarHBondContact O-N 3.45Å; Y154-S157 PolarHBondContact O-N 3.36Å; Y154-S157 PolarHBondContact O-OG 3.41Å; Y154-K158 HydrophobicContact CE1-CG 4.14Å; Y154-K158 HydrophobicContact CE2-CG 4.25Å; Y154-K158 PolarHBondContact O-N 3.08Å; Y154-K158 VanDerWaalsContact O-N 3.12Å; Y154-K158 WeakPolarHBondContact OH-CE 3.46Å; Y154-F191 AromaticContact CE2-CZ 3.93Å; Y154-F191 HydrophobicContact CE2-CZ 3.93Å |
| 155 | S | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.5 | -51.7 | 174.6 | -56 | 0 | 0 | 0 | 0 | 109.5 | M143 N151 S157 K158 F159 | M143-S155 WeakPolarHBondContact O-CA 3.34Å; N151-S155 WeakPolarHBondContact O-CB 3.4Å; N151-S155 PolarHBondContact O-N 2.8Å; N151-S155 PolarHBondContact O-OG 3.11Å; S155-S157 VanDerWaalsContact C-N 3.26Å; S155-S157 PolarHBondContact O-N 2.84Å; S155-K158 CarbonylContact O-C 3.49Å; S155-K158 WeakPolarHBondContact O-CA 3.16Å; S155-K158 PolarHBondContact O-N 2.83Å; S155-F159 VanDerWaalsContact O-CD2 3.29Å; S155-F159 WeakPolarHBondContact O-CD2 3.32Å; S155-F159 PolarHBondContact O-N 2.77Å |
| 156 | A | 98.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 30.6 Ų | 30.6 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -52 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F110 D152 I153 K158 F159 A160 | F110-A156 HydrophobicContact CE2-CB 4.32Å; F110-A156 HydrophobicContact CZ-CB 4Å; D152-A156 VanDerWaalsContact O-CB 3.31Å; D152-A156 WeakPolarHBondContact O-CB 2.94Å; D152-A156 PolarHBondContact O-N 2.72Å; I153-A156 PolarHBondContact O-N 2.74Å; A156-K158 VanDerWaalsContact C-N 3.35Å; A156-K158 PolarHBondContact O-N 2.9Å; A156-F159 PolarHBondContact O-N 2.93Å; A156-A160 WeakPolarHBondContact O-CB 3.48Å; A156-A160 PolarHBondContact O-N 2.93Å |
| 157 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 176.8 | 81 | 0 | 0 | 0 | 0 | 113.3 | L109 N113 I153 Y154 S155 A160 V161 | L109-S157 VanDerWaalsContact CD2-OG 3.31Å; L109-S157 WeakPolarHBondContact CD2-OG 3.41Å; N113-S157 PolarHBondContact ND2-OG 3.26Å; I153-S157 PolarHBondContact O-N 3.05Å; Y154-S157 PolarHBondContact O-N 3.36Å; Y154-S157 PolarHBondContact O-OG 3.41Å; S155-S157 VanDerWaalsContact C-N 3.26Å; S155-S157 PolarHBondContact O-N 2.84Å; S157-A160 WeakPolarHBondContact O-CB 3.08Å; S157-A160 PolarHBondContact O-N 3.25Å; S157-V161 WeakPolarHBondContact O-CG2 3.42Å; S157-V161 PolarHBondContact O-N 3.37Å; S157-V161 VanDerWaalsContact O-N 3.1Å |
| 158 | K | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.8 | -34.8 | 178.3 | -67.5 | -62.1 | -171.9 | 177 | 0 | 112 | M139 Y154 S155 A156 A160 V161 E162 | M139-K158 PolarHBondContact O-NZ 2.82Å; Y154-K158 HydrophobicContact CE1-CG 4.14Å; Y154-K158 HydrophobicContact CE2-CG 4.25Å; Y154-K158 PolarHBondContact O-N 3.08Å; Y154-K158 VanDerWaalsContact O-N 3.12Å; Y154-K158 WeakPolarHBondContact OH-CE 3.46Å; S155-K158 CarbonylContact O-C 3.49Å; S155-K158 WeakPolarHBondContact O-CA 3.16Å; S155-K158 PolarHBondContact O-N 2.83Å; A156-K158 VanDerWaalsContact C-N 3.35Å; A156-K158 PolarHBondContact O-N 2.9Å; K158-A160 VanDerWaalsContact C-N 3.33Å; K158-V161 WeakPolarHBondContact O-CB 3.48Å; K158-V161 PolarHBondContact O-N 3.42Å; K158-E162 WeakPolarHBondContact O-CG 3.32Å; K158-E162 PolarHBondContact O-N 3.05Å |
| 159 | F | 98.6 | Very high | 97.9 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 32% | 0.316 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 168.3 | -87.1 | -97.2 | 0 | 0 | 0 | 111.9 | M143 G144 I145 S155 A156 V161 E162 G163 K267 | M143-F159 WeakPolarHBondContact O-CD2 3.28Å; M143-F159 WeakPolarHBondContact O-CE2 3.43Å; G144-F159 VanDerWaalsContact O-CD1 3.28Å; G144-F159 WeakPolarHBondContact O-CD1 3.38Å; G144-F159 WeakPolarHBondContact O-CD2 3.49Å; G144-F159 WeakPolarHBondContact O-CE1 3.22Å; G144-F159 VanDerWaalsContact O-CG 3.32Å; G144-F159 WeakPolarHBondContact O-CG 3.35Å; I145-F159 WeakPolarHBondContact O-CZ 3.46Å; S155-F159 VanDerWaalsContact O-CD2 3.29Å; S155-F159 WeakPolarHBondContact O-CD2 3.32Å; S155-F159 PolarHBondContact O-N 2.77Å; A156-F159 PolarHBondContact O-N 2.93Å; F159-V161 VanDerWaalsContact C-N 3.31Å; F159-V161 PolarHBondContact O-N 3.42Å; F159-E162 WeakPolarHBondContact O-CB 3.4Å; F159-E162 PolarHBondContact O-N 3.48Å; F159-G163 PolarHBondContact O-N 3.11Å; F159-K267 VanDerWaalsContact CE1-NZ 3.27Å |
| 160 | A | 98.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 24% | 0.24 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F110 F114 A156 S157 K158 F164 | F110-A160 HydrophobicContact CE1-CB 4.11Å; F114-A160 HydrophobicContact CD2-CB 3.67Å; F114-A160 HydrophobicContact CE2-CB 3.96Å; F114-A160 HydrophobicContact CG-CB 4.19Å; A156-A160 WeakPolarHBondContact O-CB 3.48Å; A156-A160 PolarHBondContact O-N 2.93Å; S157-A160 WeakPolarHBondContact O-CB 3.08Å; S157-A160 PolarHBondContact O-N 3.25Å; K158-A160 VanDerWaalsContact C-N 3.33Å; A160-F164 VanDerWaalsContact O-CB 3.29Å; A160-F164 WeakPolarHBondContact O-CB 3.45Å; A160-F164 PolarHBondContact O-N 2.83Å |
| 161 | V | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -48.5 | 172.4 | 166.5 | 0 | 0 | 0 | 0 | 111.7 | N113 F114 L117 V138 S157 K158 F159 G163 F164 C165 L181 | N113-V161 WeakPolarHBondContact O-CG2 3.47Å; F114-V161 HydrophobicContact CD2-CG2 4.46Å; L117-V161 HydrophobicContact CD2-CB 4.28Å; L117-V161 HydrophobicContact CD2-CG1 3.78Å; L117-V161 HydrophobicContact CD2-CG2 3.93Å; V138-V161 HydrophobicContact CG1-CG1 3.54Å; S157-V161 WeakPolarHBondContact O-CG2 3.42Å; S157-V161 PolarHBondContact O-N 3.37Å; S157-V161 VanDerWaalsContact O-N 3.1Å; K158-V161 WeakPolarHBondContact O-CB 3.48Å; K158-V161 PolarHBondContact O-N 3.42Å; F159-V161 VanDerWaalsContact C-N 3.31Å; F159-V161 PolarHBondContact O-N 3.42Å; V161-G163 PolarHBondContact O-N 3.34Å; V161-F164 PolarHBondContact O-N 2.93Å; V161-C165 WeakPolarHBondContact O-CB 3.48Å; V161-C165 PolarHBondContact O-N 2.98Å; V161-C165 PolarHBondContact O-SG 3.12Å; V161-L181 HydrophobicContact CG1-CD2 3.97Å |
| 162 | E | 98.7 | Very high | 98.2 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.5 | -52.6 | 176.6 | -73.8 | -66.5 | 140.6 | 0 | 0 | 111.7 | S140 G144 K158 F159 F164 C165 E166 L181 R253 | S140-E162 WeakPolarHBondContact CB-OE1 3.26Å; S140-E162 PolarHBondContact OG-OE1 2.93Å; G144-E162 WeakPolarHBondContact O-CG 3.3Å; K158-E162 WeakPolarHBondContact O-CG 3.32Å; K158-E162 PolarHBondContact O-N 3.05Å; F159-E162 WeakPolarHBondContact O-CB 3.4Å; F159-E162 PolarHBondContact O-N 3.48Å; E162-F164 PolarHBondContact O-N 3.28Å; E162-C165 PolarHBondContact O-N 3.27Å; E162-E166 WeakPolarHBondContact O-CB 3.48Å; E162-E166 PolarHBondContact O-N 3.43Å; E162-L181 WeakPolarHBondContact OE1-CD2 3.47Å; E162-L181 WeakPolarHBondContact OE2-CD1 3.49Å; E162-R253 IonicContact OE2-CZ 3.57Å; E162-R253 IonicContact OE2-NE 2.68Å; E162-R253 PolarHBondContact OE2-NE 2.85Å; E162-R253 IonicContact OE2-NH2 2.71Å; E162-R253 PolarHBondContact OE2-NH2 3.22Å |
| 163 | G | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.6 | -40.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F159 V161 S167 | F159-G163 PolarHBondContact O-N 3.11Å; V161-G163 PolarHBondContact O-N 3.34Å; G163-S167 VanDerWaalsContact O-CB 3.28Å; G163-S167 WeakPolarHBondContact O-CB 3.16Å; G163-S167 PolarHBondContact O-N 2.83Å; G163-S167 PolarHBondContact O-OG 3.02Å |
| 164 | F | 98.8 | Very high | 98.1 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 175.9 | 169.3 | -101.5 | 0 | 0 | 0 | 112.1 | F114 L117 V118 V121 A160 V161 E162 S167 L168 | F114-F164 HydrophobicContact CE2-CB 3.82Å; F114-F164 HydrophobicContact CE2-CG 4.29Å; L117-F164 HydrophobicContact CD2-CD1 3.81Å; L117-F164 HydrophobicContact CD2-CE1 4.1Å; L117-F164 HydrophobicContact CG-CD1 4.21Å; L117-F164 HydrophobicContact CG-CE1 4Å; V118-F164 HydrophobicContact CG2-CD2 4.16Å; V118-F164 HydrophobicContact CG2-CE1 4.38Å; V118-F164 HydrophobicContact CG2-CE2 3.95Å; V118-F164 HydrophobicContact CG2-CG 4.47Å; V118-F164 HydrophobicContact CG2-CZ 4.06Å; V121-F164 HydrophobicContact CB-CE1 4.38Å; V121-F164 HydrophobicContact CB-CZ 4.26Å; V121-F164 HydrophobicContact CG1-CE1 4.44Å; V121-F164 HydrophobicContact CG1-CZ 4.12Å; V121-F164 HydrophobicContact CG2-CE1 4.22Å; A160-F164 VanDerWaalsContact O-CB 3.29Å; A160-F164 WeakPolarHBondContact O-CB 3.45Å; A160-F164 PolarHBondContact O-N 2.83Å; V161-F164 PolarHBondContact O-N 2.93Å; E162-F164 PolarHBondContact O-N 3.28Å; F164-S167 PolarHBondContact O-N 2.83Å; F164-L168 HydrophobicContact CE1-CD2 4.35Å; F164-L168 HydrophobicContact CZ-CD2 4.29Å; F164-L168 WeakPolarHBondContact O-CB 3.35Å; F164-L168 PolarHBondContact O-N 3.16Å |
| 165 | C | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.5 | -40.8 | -178.5 | -74.6 | 0 | 0 | 0 | 0 | 112.7 | V161 E162 L168 A169 T179 L181 | V161-C165 WeakPolarHBondContact O-CB 3.48Å; V161-C165 PolarHBondContact O-N 2.98Å; V161-C165 PolarHBondContact O-SG 3.12Å; E162-C165 PolarHBondContact O-N 3.27Å; C165-L168 PolarHBondContact O-N 3.39Å; C165-A169 VanDerWaalsContact O-CB 3.32Å; C165-A169 WeakPolarHBondContact O-CB 3.38Å; C165-A169 PolarHBondContact O-N 2.64Å; C165-T179 HydrophobicContact CB-CG2 4.18Å; C165-L181 HydrophobicContact CB-CD1 3.8Å; C165-L181 HydrophobicContact CB-CD2 3.72Å; C165-L181 HydrophobicContact CB-CG 3.92Å |
| 166 | E | 98.4 | Very high | 98.2 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.7 | -178.2 | 166.7 | 91.3 | 0 | 0 | 111.3 | E162 L168 A169 L252 R253 | E162-E166 WeakPolarHBondContact O-CB 3.48Å; E162-E166 PolarHBondContact O-N 3.43Å; E166-L168 PolarHBondContact O-N 3.34Å; E166-A169 PolarHBondContact O-N 3.38Å; E166-L252 HydrophobicContact CB-CD2 4.43Å; E166-L252 HydrophobicContact CG-CD2 4.18Å; E166-R253 IonicContact OE2-CZ 2.77Å; E166-R253 IonicContact OE2-NH1 2.98Å; E166-R253 PolarHBondContact OE2-NH1 2.9Å; E166-R253 IonicContact OE2-NH2 3.15Å; E166-R253 PolarHBondContact OE2-NH2 3.15Å |
| 167 | S | 98.3 | Very high | 98.2 | Very high | 92 Ų | 92 | 53 Ų | 53 | 64% | 0.643 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | G163 F164 | G163-S167 VanDerWaalsContact O-CB 3.28Å; G163-S167 WeakPolarHBondContact O-CB 3.16Å; G163-S167 PolarHBondContact O-N 2.83Å; G163-S167 PolarHBondContact O-OG 3.02Å; F164-S167 PolarHBondContact O-N 2.83Å |
| 168 | L | 98.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -35.5 | 179.4 | 177.8 | 64 | 0 | 0 | 0 | 112.6 | V121 L125 I136 F164 C165 E166 V170 Q171 A172 | V121-L168 HydrophobicContact CG1-CD2 3.55Å; L125-L168 HydrophobicContact CD2-CD1 3.9Å; I136-L168 HydrophobicContact CD1-CD2 4.21Å; F164-L168 HydrophobicContact CE1-CD2 4.35Å; F164-L168 HydrophobicContact CZ-CD2 4.29Å; F164-L168 WeakPolarHBondContact O-CB 3.35Å; F164-L168 PolarHBondContact O-N 3.16Å; C165-L168 PolarHBondContact O-N 3.39Å; E166-L168 PolarHBondContact O-N 3.34Å; L168-V170 VanDerWaalsContact C-N 3.29Å; L168-V170 PolarHBondContact O-N 3.42Å; L168-Q171 PolarHBondContact O-N 3.06Å; L168-Q171 VanDerWaalsContact O-N 3.1Å; L168-A172 WeakPolarHBondContact O-CB 3.42Å; L168-A172 PolarHBondContact O-N 3.15Å |
| 169 | A | 98.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 56 Ų | 56 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.5 | -42.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C165 E166 Q171 A172 M173 L252 | C165-A169 VanDerWaalsContact O-CB 3.32Å; C165-A169 WeakPolarHBondContact O-CB 3.38Å; C165-A169 PolarHBondContact O-N 2.64Å; E166-A169 PolarHBondContact O-N 3.38Å; A169-Q171 VanDerWaalsContact C-N 3.32Å; A169-Q171 PolarHBondContact O-N 3.08Å; A169-A172 PolarHBondContact O-N 3.27Å; A169-A172 VanDerWaalsContact O-N 3.16Å; A169-M173 VanDerWaalsContact O-CG 3.27Å; A169-M173 WeakPolarHBondContact O-CG 2.99Å; A169-M173 PolarHBondContact O-N 3.02Å; A169-L252 HydrophobicContact CB-CD1 3.79Å |
| 170 | V | 96.4 | Very high | 98.2 | Very high | 113 Ų | 113 | 52.6 Ų | 52.6 | 69% | 0.685 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58.4 | -45.1 | 178.3 | -178 | 0 | 0 | 0 | 0 | 111.2 | L168 | L168-V170 VanDerWaalsContact C-N 3.29Å; L168-V170 PolarHBondContact O-N 3.42Å |
| 171 | Q | 96.8 | Very high | 98.2 | Very high | 99 Ų | 99 | 51.2 Ų | 51.2 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.8 | -42.1 | 175.9 | -178.1 | -175.3 | 2.1 | 0 | 0 | 111.7 | L168 A169 M173 K174 F175 | L168-Q171 PolarHBondContact O-N 3.06Å; L168-Q171 VanDerWaalsContact O-N 3.1Å; A169-Q171 VanDerWaalsContact C-N 3.32Å; A169-Q171 PolarHBondContact O-N 3.08Å; Q171-M173 VanDerWaalsContact C-N 3.3Å; Q171-M173 PolarHBondContact O-N 2.96Å; Q171-K174 WeakPolarHBondContact O-CB 3.2Å; Q171-K174 PolarHBondContact O-N 3.33Å; Q171-F175 HydrophobicContact CG-CE2 4.29Å; Q171-F175 WeakPolarHBondContact O-CD2 3.47Å |
| 172 | A | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -37.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L168 A169 K174 F175 N176 I177 | L168-A172 WeakPolarHBondContact O-CB 3.42Å; L168-A172 PolarHBondContact O-N 3.15Å; A169-A172 PolarHBondContact O-N 3.27Å; A169-A172 VanDerWaalsContact O-N 3.16Å; A172-K174 PolarHBondContact O-N 3.47Å; A172-F175 CarbonylContact O-C 3.51Å; A172-F175 WeakPolarHBondContact O-CA 3.16Å; A172-F175 PolarHBondContact O-N 2.69Å; A172-N176 PolarHBondContact O-N 3.05Å; A172-I177 CarbonylContact C-O 3.48Å; A172-I177 HydrophobicContact CB-CB 4.01Å; A172-I177 HydrophobicContact CB-CG2 4.19Å; A172-I177 PolarHBondContact O-N 3.41Å; A172-I177 VanDerWaalsContact O-N 3.09Å |
| 173 | M | 96.6 | Very high | 98.2 | Very high | 143 Ų | 143 | 50.8 Ų | 50.8 | 70% | 0.704 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -56.8 | -35.9 | 176.6 | -73.8 | 172.5 | 72 | 0 | 0 | 112.9 | A169 Q171 F175 N176 | A169-M173 VanDerWaalsContact O-CG 3.27Å; A169-M173 WeakPolarHBondContact O-CG 2.99Å; A169-M173 PolarHBondContact O-N 3.02Å; Q171-M173 VanDerWaalsContact C-N 3.3Å; Q171-M173 PolarHBondContact O-N 2.96Å; M173-F175 PolarHBondContact O-N 3.48Å; M173-F175 VanDerWaalsContact O-N 3.13Å; M173-N176 PolarHBondContact O-N 3.47Å |
| 174 | K | 97.9 | Very high | 98 | Very high | 173 Ų | 173 | 49.4 Ų | 49.4 | 75% | 0.752 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.3 | 176.9 | -178.2 | 57.6 | -179.3 | 178.7 | 0 | 112.9 | Q171 A172 | Q171-K174 WeakPolarHBondContact O-CB 3.2Å; Q171-K174 PolarHBondContact O-N 3.33Å; A172-K174 PolarHBondContact O-N 3.47Å |
| 175 | F | 98.6 | Very high | 97.7 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 14.3 | 179.3 | -58.9 | -87.1 | 0 | 0 | 0 | 112.5 | K129 Q132 Q171 A172 M173 I177 | K129-F175 HydrophobicContact CB-CD1 3.87Å; K129-F175 HydrophobicContact CB-CE1 4.28Å; K129-F175 HydrophobicContact CB-CG 4.17Å; K129-F175 HydrophobicContact CD-CD1 4.48Å; K129-F175 HydrophobicContact CD-CD2 4.25Å; K129-F175 HydrophobicContact CD-CE1 4.4Å; K129-F175 HydrophobicContact CD-CE2 4.18Å; K129-F175 HydrophobicContact CD-CG 4.42Å; K129-F175 HydrophobicContact CD-CZ 4.25Å; K129-F175 HydrophobicContact CG-CB 4.13Å; K129-F175 HydrophobicContact CG-CD1 3.88Å; K129-F175 HydrophobicContact CG-CD2 3.94Å; K129-F175 HydrophobicContact CG-CE1 4.27Å; K129-F175 HydrophobicContact CG-CE2 4.34Å; K129-F175 HydrophobicContact CG-CG 3.71Å; K129-F175 HydrophobicContact CG-CZ 4.49Å; Q132-F175 CarbonylContact C-O 3.54Å; Q132-F175 WeakPolarHBondContact CA-O 3.45Å; Q171-F175 HydrophobicContact CG-CE2 4.29Å; Q171-F175 WeakPolarHBondContact O-CD2 3.47Å; A172-F175 CarbonylContact O-C 3.51Å; A172-F175 WeakPolarHBondContact O-CA 3.16Å; A172-F175 PolarHBondContact O-N 2.69Å; M173-F175 PolarHBondContact O-N 3.48Å; M173-F175 VanDerWaalsContact O-N 3.13Å; F175-I177 HydrophobicContact CB-CD1 3.83Å; F175-I177 HydrophobicContact CB-CG1 4.02Å; F175-I177 PolarHBondContact O-N 3.48Å |
| 176 | N | 98.2 | Very high | 97.2 | Very high | 102 Ų | 102 | 48 Ų | 48 | 55% | 0.545 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 34.5 | -176.5 | -177.6 | 53.8 | 0 | 0 | 0 | 112.4 | Q132 A172 M173 | Q132-N176 WeakPolarHBondContact O-CB 3.38Å; Q132-N176 PolarHBondContact O-ND2 3.35Å; A172-N176 PolarHBondContact O-N 3.05Å; M173-N176 PolarHBondContact O-N 3.47Å |
| 177 | I | 98.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.6 | 172.5 | -58.4 | 168 | 0 | 0 | 0 | 107.5 | L125 M128 K129 G134 I136 A172 F175 | L125-I177 HydrophobicContact CD1-CD1 3.74Å; M128-I177 HydrophobicContact CB-CD1 3.57Å; M128-I177 HydrophobicContact CB-CG1 4.03Å; M128-I177 HydrophobicContact SD-CG2 4.17Å; K129-I177 HydrophobicContact CB-CD1 4.45Å; K129-I177 HydrophobicContact CG-CD1 3.74Å; G134-I177 WeakPolarHBondContact O-CA 3.44Å; I136-I177 HydrophobicContact CD1-CG2 4.28Å; I136-I177 HydrophobicContact CG1-CG2 4.38Å; A172-I177 CarbonylContact C-O 3.48Å; A172-I177 HydrophobicContact CB-CB 4.01Å; A172-I177 HydrophobicContact CB-CG2 4.19Å; A172-I177 PolarHBondContact O-N 3.41Å; A172-I177 VanDerWaalsContact O-N 3.09Å; F175-I177 HydrophobicContact CB-CD1 3.83Å; F175-I177 HydrophobicContact CB-CG1 4.02Å; F175-I177 PolarHBondContact O-N 3.48Å |
| 178 | K | 98.6 | Very high | 96.2 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 145.7 | 179.2 | -65.9 | 163.2 | 177.7 | -173.6 | 0 | 109.6 | G134 H135 I136 K248 P250 | G134-K178 PolarHBondContact O-N 2.88Å; H135-K178 CarbonylContact C-O 3.6Å; H135-K178 WeakPolarHBondContact CA-O 3.35Å; H135-K178 HydrophobicContact CB-CB 4.29Å; H135-K178 PolarHBondContact CD2-O 3.37Å; I136-K178 PolarHBondContact N-O 2.94Å; K178-K248 PolarHBondContact NZ-O 3.23Å; K178-P250 HydrophobicContact CB-CG 4.04Å; K178-P250 HydrophobicContact CD-CG 3.67Å; K178-P250 HydrophobicContact CG-CG 4.11Å |
| 179 | T | 98.7 | Very high | 95.6 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132 | 172.4 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | I136 C165 L252 | I136-T179 CarbonylContact O-C 3.59Å; I136-T179 VanDerWaalsContact O-CA 3.27Å; I136-T179 WeakPolarHBondContact O-CA 3.41Å; C165-T179 HydrophobicContact CB-CG2 4.18Å; T179-L252 HydrophobicContact CG2-CD1 4.18Å |
| 180 | T | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129 | 173.8 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | H135 I136 V137 V138 V244 P251 L252 H254 | H135-T180 PolarHBondContact NE2-OG1 2.99Å; I136-T180 PolarHBondContact O-N 3.46Å; V137-T180 CarbonylContact C-O 3.59Å; V137-T180 VanDerWaalsContact CA-O 3.3Å; V137-T180 WeakPolarHBondContact CA-O 3.49Å; V138-T180 PolarHBondContact N-O 2.89Å; T180-V244 HydrophobicContact CG2-CG1 3.42Å; T180-V244 VanDerWaalsContact CG2-CG1 3.42Å; T180-V244 HydrophobicContact CG2-CG2 4.39Å; T180-P251 VanDerWaalsContact CB-O 3.32Å; T180-P251 WeakPolarHBondContact CB-O 3.48Å; T180-P251 WeakPolarHBondContact CG2-O 3.28Å; T180-P251 PolarHBondContact OG1-O 3.11Å; T180-L252 CarbonylContact C-O 3.55Å; T180-L252 WeakPolarHBondContact CA-O 3.21Å; T180-H254 HydrophobicContact CG2-CB 4.32Å |
| 181 | L | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110.8 | 168.2 | -66.6 | 139 | 0 | 0 | 0 | 107.6 | V138 V161 E162 C165 E183 L252 R253 H254 | V138-L181 HydrophobicContact CB-CD2 4.24Å; V138-L181 HydrophobicContact CG1-CD2 4.42Å; V138-L181 WeakPolarHBondContact O-CA 3.16Å; V161-L181 HydrophobicContact CG1-CD2 3.97Å; E162-L181 WeakPolarHBondContact OE1-CD2 3.47Å; E162-L181 WeakPolarHBondContact OE2-CD1 3.49Å; C165-L181 HydrophobicContact CB-CD1 3.8Å; C165-L181 HydrophobicContact CB-CD2 3.72Å; C165-L181 HydrophobicContact CB-CG 3.92Å; L181-E183 HydrophobicContact CB-CG 4.48Å; L181-L252 HydrophobicContact CD1-CD1 4.09Å; L181-L252 HydrophobicContact CD1-CG 4.28Å; L181-L252 PolarHBondContact N-O 3.19Å; L181-R253 HydrophobicContact CB-CG 4.4Å; L181-R253 HydrophobicContact CD1-CG 4.29Å; L181-R253 CarbonylContact O-C 3.53Å; L181-R253 WeakPolarHBondContact O-CA 3.19Å; L181-H254 PolarHBondContact O-N 3.01Å |
| 182 | V | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.8 | 167.3 | 179.8 | 0 | 0 | 0 | 0 | 106.3 | V137 V138 M139 S140 P184 V237 T256 | V137-V182 HydrophobicContact CG1-CG2 3.78Å; V138-V182 PolarHBondContact O-N 2.66Å; M139-V182 HydrophobicContact CE-CB 4.14Å; M139-V182 HydrophobicContact CE-CG1 4.11Å; M139-V182 HydrophobicContact SD-CB 3.84Å; M139-V182 HydrophobicContact SD-CG1 3.67Å; S140-V182 WeakPolarHBondContact CA-O 3.47Å; S140-V182 WeakPolarHBondContact CB-O 3.49Å; S140-V182 PolarHBondContact N-O 3.26Å; V182-P184 VanDerWaalsContact C-CD 3.48Å; V182-P184 HydrophobicContact CG1-CG 4.38Å; V182-P184 WeakPolarHBondContact O-CD 2.98Å; V182-V237 HydrophobicContact CG1-CG1 4.37Å; V182-T256 HydrophobicContact CG1-CG2 3.51Å |
| 183 | E | 97.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 82 | -171.2 | -63.4 | 167.5 | 159.8 | 0 | 0 | 109.9 | I145 L181 R253 H254 Q255 T256 | I145-E183 HydrophobicContact CD1-CB 4.4Å; I145-E183 VanDerWaalsContact CD1-CD 3.46Å; I145-E183 HydrophobicContact CD1-CG 4.27Å; I145-E183 WeakPolarHBondContact CD1-OE2 3.19Å; L181-E183 HydrophobicContact CB-CG 4.48Å; E183-R253 WeakPolarHBondContact OE1-CD 3.32Å; E183-R253 VanDerWaalsContact OE1-CG 3.26Å; E183-R253 WeakPolarHBondContact OE1-CG 3.43Å; E183-R253 IonicContact OE1-NE 3.04Å; E183-H254 PolarHBondContact N-O 3.38Å; E183-Q255 HydrophobicContact CB-CG 4.02Å; E183-Q255 WeakPolarHBondContact OE2-CG 3.44Å; E183-Q255 PolarHBondContact OE2-NE2 3.11Å; E183-T256 PolarHBondContact O-N 3.09Å |
| 184 | P | 96 | Very high | 92.3 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.045 | 22% | 0.221 | C | C | . | . | trans | -67.2 | 146.7 | 176.8 | -19.7 | 32.2 | 0 | 0 | 0 | 113.2 | I15 M139 V142 V182 V187 V237 T256 | I15-P184 HydrophobicContact CD1-CG 4.33Å; M139-P184 HydrophobicContact CG-CG 4.23Å; M139-P184 HydrophobicContact SD-CG 3.45Å; M139-P184 WeakPolarHBondContact SD-CG 3.45Å; V142-P184 WeakPolarHBondContact CG1-O 3.28Å; V142-P184 PolarHBondContact N-O 3.15Å; V182-P184 VanDerWaalsContact C-CD 3.48Å; V182-P184 HydrophobicContact CG1-CG 4.38Å; V182-P184 WeakPolarHBondContact O-CD 2.98Å; P184-V187 HydrophobicContact CB-CG2 3.69Å; P184-V237 HydrophobicContact CB-CG2 4.3Å; P184-V237 HydrophobicContact CG-CG1 4.02Å; P184-V237 HydrophobicContact CG-CG2 4.49Å; P184-T256 VanDerWaalsContact CA-OG1 3.31Å; P184-T256 WeakPolarHBondContact CA-OG1 3.42Å | ||
| 185 | G | 90.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | trans | -77.6 | -151.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V187 | G185-V187 WeakPolarHBondContact O-CG2 3.41Å; G185-V187 PolarHBondContact O-N 2.89Å | ||
| 186 | P | 88.4 | Confident | 91.2 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.071 | 18% | 0.178 | C | C | . | . | trans | -59.9 | 132.9 | 170 | -18 | 30.7 | 0 | 0 | 0 | 110.3 | V226 F227 L230 G231 Q232 Y260 | P186-V226 HydrophobicContact CG-CG1 3.81Å; P186-F227 HydrophobicContact CB-CD1 3.52Å; P186-F227 HydrophobicContact CB-CD2 4.27Å; P186-F227 HydrophobicContact CB-CE1 3.66Å; P186-F227 HydrophobicContact CB-CE2 4.41Å; P186-F227 HydrophobicContact CB-CG 3.86Å; P186-F227 HydrophobicContact CB-CZ 4.13Å; P186-L230 HydrophobicContact CG-CB 4.46Å; P186-G231 CarbonylContact O-C 3.32Å; P186-G231 WeakPolarHBondContact O-CA 3.38Å; P186-Q232 PolarHBondContact O-N 3.38Å; P186-Y260 HydrophobicContact CG-CE2 4.46Å | ||
| 187 | V | 89.9 | Confident | 90.6 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -130.8 | 124.4 | 177.4 | -167 | 0 | 0 | 0 | 0 | 109.1 | I15 P184 G185 T189 Q232 P234 V237 | I15-V187 HydrophobicContact CD1-CB 4.35Å; I15-V187 HydrophobicContact CD1-CG1 4.3Å; I15-V187 HydrophobicContact CD1-CG2 4.08Å; I15-V187 HydrophobicContact CG1-CG1 4.13Å; P184-V187 HydrophobicContact CB-CG2 3.69Å; G185-V187 WeakPolarHBondContact O-CG2 3.41Å; G185-V187 PolarHBondContact O-N 2.89Å; V187-T189 HydrophobicContact CB-CG2 4.31Å; V187-T189 HydrophobicContact CG1-CG2 3.82Å; V187-T189 PolarHBondContact O-N 3.34Å; V187-T189 VanDerWaalsContact O-N 3.12Å; V187-T189 PolarHBondContact O-OG1 2.95Å; V187-Q232 WeakPolarHBondContact CA-O 3.48Å; V187-Q232 WeakPolarHBondContact CG1-O 3.44Å; V187-P234 HydrophobicContact CG1-CG 4.42Å; V187-V237 HydrophobicContact CG1-CG2 4.27Å; V187-V237 HydrophobicContact CG2-CG2 3.93Å |
| 188 | M | 86.5 | Confident | 90.1 | Very high | 78 Ų | 78 | 41 Ų | 41 | 38% | 0.384 | 19% | 0.194 | S | C | . | . | trans | -73.1 | 106 | 179.7 | -61.6 | -53.4 | -57.9 | 0 | 0 | 109.4 | F227 Q232 P234 | M188-F227 HydrophobicContact SD-CB 3.89Å; M188-F227 HydrophobicContact SD-CD1 4.09Å; M188-F227 HydrophobicContact SD-CG 4.5Å; M188-Q232 PolarHBondContact N-O 2.98Å; M188-P234 WeakPolarHBondContact O-CD 3.43Å | ||
| 189 | T | 85.4 | Confident | 89.6 | Confident | 22 Ų | 22 | 38 Ų | 38 | 14% | 0.135 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -148.1 | 164.7 | -172.7 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | I15 V187 F191 E192 R193 P234 | I15-T189 HydrophobicContact CG1-CG2 4.4Å; V187-T189 HydrophobicContact CB-CG2 4.31Å; V187-T189 HydrophobicContact CG1-CG2 3.82Å; V187-T189 PolarHBondContact O-N 3.34Å; V187-T189 VanDerWaalsContact O-N 3.12Å; V187-T189 PolarHBondContact O-OG1 2.95Å; T189-F191 PolarHBondContact O-N 3.03Å; T189-F191 WeakPolarHBondContact OG1-CB 3.45Å; T189-E192 WeakPolarHBondContact O-CB 3.19Å; T189-E192 PolarHBondContact O-N 2.85Å; T189-E192 VanDerWaalsContact O-N 3.09Å; T189-E192 PolarHBondContact OG1-N 2.92Å; T189-R193 PolarHBondContact O-N 3.46Å; T189-P234 HydrophobicContact CG2-CG 3.74Å |
| 190 | E | 81.8 | Confident | 89.1 | Confident | 91 Ų | 91 | 42 Ų | 42 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.2 | -30.2 | 166.1 | -71.5 | -61.2 | 144.4 | 0 | 0 | 113.7 | R193 K194 | E190-R193 IonicContact OE1-CZ 2.89Å; E190-R193 IonicContact OE1-NE 3Å; E190-R193 IonicContact OE1-NH2 2.71Å; E190-R193 PolarHBondContact OE1-NH2 3.01Å; E190-R193 IonicContact OE2-CZ 3.38Å; E190-R193 IonicContact OE2-NE 3.57Å; E190-R193 PolarHBondContact OE2-NE 3.28Å; E190-R193 IonicContact OE2-NH2 3.96Å; E190-R193 PolarHBondContact OE2-NH2 3.15Å; E190-K194 WeakPolarHBondContact O-CB 3.22Å; E190-K194 PolarHBondContact O-N 3.43Å; E190-K194 VanDerWaalsContact O-N 3.08Å |
| 191 | F | 80.9 | Confident | 88.6 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 33% | 0.333 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.6 | -48.8 | 173.5 | 173.6 | -80.3 | 0 | 0 | 0 | 111.2 | G93 Y154 T189 K194 V195 | G93-F191 VanDerWaalsContact CA-CZ 3.45Å; G93-F191 VanDerWaalsContact N-CE2 3.29Å; G93-F191 VanDerWaalsContact N-CZ 3.25Å; Y154-F191 AromaticContact CE2-CZ 3.93Å; Y154-F191 HydrophobicContact CE2-CZ 3.93Å; T189-F191 PolarHBondContact O-N 3.03Å; T189-F191 WeakPolarHBondContact OG1-CB 3.45Å; F191-K194 PolarHBondContact O-N 3.39Å; F191-V195 HydrophobicContact CD1-CG2 4.25Å; F191-V195 HydrophobicContact CE1-CG2 4.01Å; F191-V195 HydrophobicContact CZ-CG2 4.26Å; F191-V195 WeakPolarHBondContact O-CG2 3.49Å; F191-V195 PolarHBondContact O-N 2.88Å; F191-V195 VanDerWaalsContact O-N 3.09Å |
| 192 | E | 85.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 13% | 0.131 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -52.8 | 179.4 | 175.3 | -95.5 | 177 | 0 | 0 | 110.7 | T189 K194 V195 Y196 F227 | T189-E192 WeakPolarHBondContact O-CB 3.19Å; T189-E192 PolarHBondContact O-N 2.85Å; T189-E192 VanDerWaalsContact O-N 3.09Å; T189-E192 PolarHBondContact OG1-N 2.92Å; E192-K194 VanDerWaalsContact C-N 3.31Å; E192-K194 PolarHBondContact O-N 2.54Å; E192-V195 PolarHBondContact O-N 3Å; E192-V195 VanDerWaalsContact O-N 3.11Å; E192-Y196 HydrophobicContact CG-CD2 3.76Å; E192-Y196 HydrophobicContact CG-CE2 3.65Å; E192-Y196 VanDerWaalsContact O-CD2 3.31Å; E192-Y196 WeakPolarHBondContact O-CD2 3.4Å; E192-Y196 PolarHBondContact O-N 2.87Å; E192-Y196 VanDerWaalsContact OE1-CD2 3.31Å; E192-Y196 WeakPolarHBondContact OE1-CD2 3.31Å; E192-Y196 WeakPolarHBondContact OE1-CE2 3.41Å; E192-F227 HydrophobicContact CB-CD1 4.44Å; E192-F227 HydrophobicContact CB-CE1 4.06Å; E192-F227 HydrophobicContact CG-CD1 3.56Å; E192-F227 HydrophobicContact CG-CE1 3.47Å; E192-F227 VanDerWaalsContact CG-CE1 3.47Å; E192-F227 HydrophobicContact CG-CG 4.17Å; E192-F227 HydrophobicContact CG-CZ 3.99Å |
| 193 | R | 83.4 | Confident | 87.9 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 48% | 0.475 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -51.3 | -50.2 | 178.4 | -176.2 | 179 | 68.2 | 162.7 | 6.1 | 112.2 | T189 E190 V195 Y196 E197 | T189-R193 PolarHBondContact O-N 3.46Å; E190-R193 IonicContact OE1-CZ 2.89Å; E190-R193 IonicContact OE1-NE 3Å; E190-R193 IonicContact OE1-NH2 2.71Å; E190-R193 PolarHBondContact OE1-NH2 3.01Å; E190-R193 IonicContact OE2-CZ 3.38Å; E190-R193 IonicContact OE2-NE 3.57Å; E190-R193 PolarHBondContact OE2-NE 3.28Å; E190-R193 IonicContact OE2-NH2 3.96Å; E190-R193 PolarHBondContact OE2-NH2 3.15Å; R193-V195 PolarHBondContact O-N 3.47Å; R193-Y196 PolarHBondContact O-N 3.5Å; R193-E197 HydrophobicContact CG-CG 4.5Å; R193-E197 WeakPolarHBondContact CG-OE1 3.5Å; R193-E197 IonicContact NE-OE1 3.54Å; R193-E197 WeakPolarHBondContact O-CG 3.4Å; R193-E197 PolarHBondContact O-N 2.91Å |
| 194 | K | 85.9 | Confident | 87.8 | Confident | 124 Ų | 124 | 56.7 Ų | 56.7 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | -179.6 | -175.9 | -178.1 | 175.4 | -168.6 | 0 | 111.9 | E190 F191 E192 Y196 E197 D198 | E190-K194 WeakPolarHBondContact O-CB 3.22Å; E190-K194 PolarHBondContact O-N 3.43Å; E190-K194 VanDerWaalsContact O-N 3.08Å; F191-K194 PolarHBondContact O-N 3.39Å; E192-K194 VanDerWaalsContact C-N 3.31Å; E192-K194 PolarHBondContact O-N 2.54Å; K194-Y196 VanDerWaalsContact C-N 3.27Å; K194-Y196 PolarHBondContact O-N 3.18Å; K194-E197 PolarHBondContact O-N 2.84Å; K194-D198 WeakPolarHBondContact O-CB 3.4Å; K194-D198 VanDerWaalsContact O-CG 3.27Å; K194-D198 PolarHBondContact O-N 3.33Å |
| 195 | V | 85.7 | Confident | 87.7 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.3 | -35.1 | -178.9 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | I95 F191 E192 R193 A199 | I95-V195 HydrophobicContact CB-CG1 4Å; I95-V195 HydrophobicContact CD1-CG1 3.43Å; I95-V195 VanDerWaalsContact CD1-CG1 3.43Å; I95-V195 HydrophobicContact CG1-CG1 3.46Å; I95-V195 VanDerWaalsContact CG1-CG1 3.46Å; F191-V195 HydrophobicContact CD1-CG2 4.25Å; F191-V195 HydrophobicContact CE1-CG2 4.01Å; F191-V195 HydrophobicContact CZ-CG2 4.26Å; F191-V195 WeakPolarHBondContact O-CG2 3.49Å; F191-V195 PolarHBondContact O-N 2.88Å; F191-V195 VanDerWaalsContact O-N 3.09Å; E192-V195 PolarHBondContact O-N 3Å; E192-V195 VanDerWaalsContact O-N 3.11Å; R193-V195 PolarHBondContact O-N 3.47Å; V195-A199 WeakPolarHBondContact O-CB 3.44Å; V195-A199 PolarHBondContact O-N 3.09Å |
| 196 | Y | 86.1 | Confident | 87.9 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.2 | -41.4 | 173.5 | -85.5 | -83.9 | 0 | 0 | 0 | 113.3 | E192 R193 K194 D198 A199 E200 L220 S223 R224 F227 | E192-Y196 HydrophobicContact CG-CD2 3.76Å; E192-Y196 HydrophobicContact CG-CE2 3.65Å; E192-Y196 VanDerWaalsContact O-CD2 3.31Å; E192-Y196 WeakPolarHBondContact O-CD2 3.4Å; E192-Y196 PolarHBondContact O-N 2.87Å; E192-Y196 VanDerWaalsContact OE1-CD2 3.31Å; E192-Y196 WeakPolarHBondContact OE1-CD2 3.31Å; E192-Y196 WeakPolarHBondContact OE1-CE2 3.41Å; R193-Y196 PolarHBondContact O-N 3.5Å; K194-Y196 VanDerWaalsContact C-N 3.27Å; K194-Y196 PolarHBondContact O-N 3.18Å; Y196-D198 VanDerWaalsContact C-N 3.31Å; Y196-D198 PolarHBondContact O-N 2.96Å; Y196-A199 PolarHBondContact O-N 3.22Å; Y196-E200 WeakPolarHBondContact O-CG 3.37Å; Y196-E200 PolarHBondContact O-N 3.07Å; Y196-L220 HydrophobicContact CD1-CD2 4.1Å; Y196-L220 HydrophobicContact CE1-CD2 4.2Å; Y196-S223 WeakPolarHBondContact OH-CA 3.48Å; Y196-S223 WeakPolarHBondContact OH-CB 3.49Å; Y196-S223 PolarHBondContact OH-O 3.31Å; Y196-S223 PolarHBondContact OH-OG 3.3Å; Y196-R224 HydrophobicContact CD1-CG 4.24Å; Y196-R224 HydrophobicContact CE1-CG 3.75Å; Y196-R224 PolarHBondContact OH-N 2.95Å; Y196-R224 VanDerWaalsContact OH-N 3.13Å; Y196-F227 HydrophobicContact CE2-CD2 4.07Å; Y196-F227 HydrophobicContact CE2-CE2 4.05Å; Y196-F227 WeakPolarHBondContact OH-CD2 3.19Å |
| 197 | E | 87.3 | Confident | 88.3 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.6 | -74.3 | 171.8 | -175.2 | 0 | 0 | 110.6 | R193 K194 A199 N201 | R193-E197 HydrophobicContact CG-CG 4.5Å; R193-E197 WeakPolarHBondContact CG-OE1 3.5Å; R193-E197 IonicContact NE-OE1 3.54Å; R193-E197 WeakPolarHBondContact O-CG 3.4Å; R193-E197 PolarHBondContact O-N 2.91Å; K194-E197 PolarHBondContact O-N 2.84Å; E197-A199 VanDerWaalsContact C-N 3.35Å; E197-A199 PolarHBondContact O-N 2.71Å; E197-N201 PolarHBondContact O-N 3.26Å; E197-N201 PolarHBondContact O-ND2 3.45Å |
| 198 | D | 87.6 | Confident | 88.7 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.6 | -67.2 | -21 | 0 | 0 | 0 | 111.1 | K194 Y196 N201 T202 | K194-D198 WeakPolarHBondContact O-CB 3.4Å; K194-D198 VanDerWaalsContact O-CG 3.27Å; K194-D198 PolarHBondContact O-N 3.33Å; Y196-D198 VanDerWaalsContact C-N 3.31Å; Y196-D198 PolarHBondContact O-N 2.96Å; D198-N201 PolarHBondContact O-N 3.24Å; D198-T202 PolarHBondContact O-N 3.02Å; D198-T202 PolarHBondContact O-OG1 2.9Å |
| 199 | A | 87.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I95 V195 Y196 E197 N201 T202 F215 L220 | I95-A199 HydrophobicContact CB-CB 4.14Å; I95-A199 HydrophobicContact CG2-CB 3.98Å; V195-A199 WeakPolarHBondContact O-CB 3.44Å; V195-A199 PolarHBondContact O-N 3.09Å; Y196-A199 PolarHBondContact O-N 3.22Å; E197-A199 VanDerWaalsContact C-N 3.35Å; E197-A199 PolarHBondContact O-N 2.71Å; A199-N201 VanDerWaalsContact C-N 3.26Å; A199-N201 PolarHBondContact O-N 2.86Å; A199-T202 WeakPolarHBondContact CA-OG1 3.42Å; A199-T202 WeakPolarHBondContact O-CB 3.34Å; A199-T202 PolarHBondContact O-N 3.07Å; A199-T202 PolarHBondContact O-OG1 3.09Å; A199-F215 HydrophobicContact CB-CZ 4.03Å; A199-L220 HydrophobicContact CB-CD2 4.08Å |
| 200 | E | 88.7 | Confident | 89.7 | Confident | 95 Ų | 95 | 78 Ų | 78 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.9 | -27.3 | 177.6 | -76.8 | -173.4 | 136.4 | 0 | 0 | 112.9 | Y196 L220 R224 | Y196-E200 WeakPolarHBondContact O-CG 3.37Å; Y196-E200 PolarHBondContact O-N 3.07Å; E200-L220 HydrophobicContact CG-CD1 4.25Å; E200-R224 IonicContact OE1-CZ 3.84Å; E200-R224 IonicContact OE1-NH1 3.06Å; E200-R224 PolarHBondContact OE1-NH1 2.81Å; E200-R224 IonicContact OE1-NH2 3.14Å; E200-R224 PolarHBondContact OE1-NH2 3.4Å; E200-R224 IonicContact OE2-CZ 3.68Å; E200-R224 IonicContact OE2-NH2 2.69Å; E200-R224 PolarHBondContact OE2-NH2 3.26Å |
| 201 | N | 88.6 | Confident | 90.4 | Very high | 135 Ų | 135 | 75.1 Ų | 75.1 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 7.1 | 178.9 | -65.1 | -56.8 | 0 | 0 | 0 | 113.2 | E197 D198 A199 D203 | E197-N201 PolarHBondContact O-N 3.26Å; E197-N201 PolarHBondContact O-ND2 3.45Å; D198-N201 PolarHBondContact O-N 3.24Å; A199-N201 VanDerWaalsContact C-N 3.26Å; A199-N201 PolarHBondContact O-N 2.86Å; N201-D203 PolarHBondContact O-N 3.08Å |
| 202 | T | 90.3 | Very high | 91.1 | Very high | 39 Ų | 39 | 72 Ų | 72 | 24% | 0.239 | 36% | 0.362 | C | S | . | . | trans | -64.8 | 132.3 | 179.5 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | C100 D198 A199 L204 | C100-T202 HydrophobicContact CB-CG2 4.07Å; D198-T202 PolarHBondContact O-N 3.02Å; D198-T202 PolarHBondContact O-OG1 2.9Å; A199-T202 WeakPolarHBondContact CA-OG1 3.42Å; A199-T202 WeakPolarHBondContact O-CB 3.34Å; A199-T202 PolarHBondContact O-N 3.07Å; A199-T202 PolarHBondContact O-OG1 3.09Å; T202-L204 HydrophobicContact CG2-CD2 3.97Å; T202-L204 PolarHBondContact O-N 3.13Å | ||
| 203 | D | 92.1 | Very high | 91.6 | Very high | 108 Ų | 108 | 76.4 Ų | 76.4 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | trans | -70.5 | 118.7 | 170.3 | -175.7 | 8.2 | 0 | 0 | 0 | 109.7 | C100 N201 S205 | C100-D203 WeakPolarHBondContact CB-O 3.38Å; C100-D203 PolarHBondContact SG-O 2.76Å; N201-D203 PolarHBondContact O-N 3.08Å; D203-S205 WeakPolarHBondContact OD1-CB 3.18Å; D203-S205 PolarHBondContact OD1-N 3.31Å; D203-S205 PolarHBondContact OD1-OG 3.48Å; D203-S205 PolarHBondContact OD2-OG 2.77Å | ||
| 204 | L | 94.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 71.6 Ų | 71.6 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | trans | -99.6 | 11.2 | -178.6 | -56.6 | 179.1 | 0 | 0 | 0 | 112.3 | P97 T202 E206 T207 A212 F215 | P97-L204 HydrophobicContact CG-CD2 3.89Å; T202-L204 HydrophobicContact CG2-CD2 3.97Å; T202-L204 PolarHBondContact O-N 3.13Å; L204-E206 PolarHBondContact O-N 3.32Å; L204-T207 HydrophobicContact CB-CG2 3.98Å; L204-T207 HydrophobicContact CD2-CG2 4.39Å; L204-T207 VanDerWaalsContact O-CG2 3.26Å; L204-T207 WeakPolarHBondContact O-CG2 3.4Å; L204-T207 PolarHBondContact O-N 3.06Å; L204-A212 HydrophobicContact CB-CB 4.33Å; L204-A212 HydrophobicContact CD1-CB 4.11Å; L204-F215 HydrophobicContact CD1-CD1 4.19Å; L204-F215 HydrophobicContact CD2-CD1 3.91Å; L204-F215 HydrophobicContact CD2-CE1 4.22Å | ||
| 205 | S | 94.2 | Very high | 92.6 | Very high | 81 Ų | 81 | 65.8 Ų | 65.8 | 57% | 0.566 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.2 | -180 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | D203 | D203-S205 WeakPolarHBondContact OD1-CB 3.18Å; D203-S205 PolarHBondContact OD1-N 3.31Å; D203-S205 PolarHBondContact OD1-OG 3.48Å; D203-S205 PolarHBondContact OD2-OG 2.77Å |
| 206 | E | 95 | Very high | 93 | Very high | 140 Ų | 140 | 72.1 Ų | 72.1 | 65% | 0.654 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.9 | -179.6 | -63.1 | -68.7 | 138.2 | 0 | 0 | 113.9 | E99 L204 | E99-E206 WeakPolarHBondContact CG-O 3.44Å; L204-E206 PolarHBondContact O-N 3.32Å |
| 207 | T | 97.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 76.5 Ų | 76.5 | 12% | 0.117 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -111.7 | 162.2 | 178.8 | -171 | 0 | 0 | 0 | 0 | 111.8 | P97 E99 L204 T211 A212 | P97-T207 HydrophobicContact CB-CG2 4.36Å; P97-T207 HydrophobicContact CG-CG2 4.23Å; E99-T207 VanDerWaalsContact OE1-CB 3.29Å; E99-T207 WeakPolarHBondContact OE1-CB 3.3Å; E99-T207 PolarHBondContact OE1-OG1 2.63Å; L204-T207 HydrophobicContact CB-CG2 3.98Å; L204-T207 HydrophobicContact CD2-CG2 4.39Å; L204-T207 VanDerWaalsContact O-CG2 3.26Å; L204-T207 WeakPolarHBondContact O-CG2 3.4Å; L204-T207 PolarHBondContact O-N 3.06Å; T207-T211 WeakPolarHBondContact OG1-CB 3.36Å; T207-T211 WeakPolarHBondContact OG1-CG2 3.22Å; T207-A212 HydrophobicContact CG2-CB 3.99Å |
| 208 | D | 97.8 | Very high | 93.4 | Very high | 83 Ų | 83 | 73.8 Ų | 73.8 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | trans | -75.2 | 160.1 | 176 | 73.8 | 89.1 | 0 | 0 | 0 | 112.5 | E210 T211 A212 | D208-E210 VanDerWaalsContact C-N 3.27Å; D208-E210 PolarHBondContact O-N 2.81Å; D208-E210 WeakPolarHBondContact OD1-CA 3.31Å; D208-E210 VanDerWaalsContact OD1-CB 3.28Å; D208-E210 WeakPolarHBondContact OD1-CB 3.46Å; D208-E210 PolarHBondContact OD1-N 3Å; D208-T211 PolarHBondContact O-N 2.97Å; D208-T211 PolarHBondContact OD1-N 3.42Å; D208-T211 VanDerWaalsContact OD2-CB 3.3Å; D208-T211 WeakPolarHBondContact OD2-CB 3.25Å; D208-T211 PolarHBondContact OD2-OG1 3.11Å; D208-A212 WeakPolarHBondContact O-CB 3.28Å; D208-A212 PolarHBondContact O-N 3.35Å | ||
| 209 | E | 96.5 | Very high | 93.7 | Very high | 174 Ų | 174 | 70.5 Ų | 70.5 | 81% | 0.813 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.6 | -34.5 | -176 | -173.8 | 174.4 | -170.2 | 0 | 0 | 112.9 | R213 | E209-R213 VanDerWaalsContact O-CB 3.24Å; E209-R213 WeakPolarHBondContact O-CB 3.27Å; E209-R213 PolarHBondContact O-N 2.66Å |
| 210 | E | 96.3 | Very high | 93.8 | Very high | 87 Ų | 87 | 70.9 Ų | 70.9 | 41% | 0.407 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.3 | -44.6 | 179.8 | 176.7 | 63.1 | -175.6 | 0 | 0 | 110.7 | D208 R213 I214 | D208-E210 VanDerWaalsContact C-N 3.27Å; D208-E210 PolarHBondContact O-N 2.81Å; D208-E210 WeakPolarHBondContact OD1-CA 3.31Å; D208-E210 VanDerWaalsContact OD1-CB 3.28Å; D208-E210 WeakPolarHBondContact OD1-CB 3.46Å; D208-E210 PolarHBondContact OD1-N 3Å; E210-R213 WeakPolarHBondContact O-CB 3.25Å; E210-R213 PolarHBondContact O-N 3.38Å; E210-R213 IonicContact OE1-CZ 3.7Å; E210-R213 IonicContact OE1-NE 3.89Å; E210-R213 IonicContact OE1-NH2 3.56Å; E210-R213 PolarHBondContact OE1-NH2 3.23Å; E210-R213 IonicContact OE2-CZ 3.21Å; E210-R213 IonicContact OE2-NE 2.77Å; E210-R213 PolarHBondContact OE2-NE 3.33Å; E210-R213 IonicContact OE2-NH2 2.58Å; E210-R213 PolarHBondContact OE2-NH2 3.04Å; E210-I214 HydrophobicContact CG-CD1 3.98Å; E210-I214 VanDerWaalsContact O-CG1 3.26Å; E210-I214 WeakPolarHBondContact O-CG1 3.29Å; E210-I214 PolarHBondContact O-N 3.26Å |
| 211 | T | 96.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 69.5 Ų | 69.5 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.2 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | P97 F150 T207 D208 R213 I214 F215 | P97-T211 HydrophobicContact CB-CG2 3.99Å; P97-T211 HydrophobicContact CG-CG2 4.16Å; F150-T211 HydrophobicContact CE1-CG2 3.92Å; F150-T211 HydrophobicContact CZ-CG2 4.29Å; T207-T211 WeakPolarHBondContact OG1-CB 3.36Å; T207-T211 WeakPolarHBondContact OG1-CG2 3.22Å; D208-T211 PolarHBondContact O-N 2.97Å; D208-T211 PolarHBondContact OD1-N 3.42Å; D208-T211 VanDerWaalsContact OD2-CB 3.3Å; D208-T211 WeakPolarHBondContact OD2-CB 3.25Å; D208-T211 PolarHBondContact OD2-OG1 3.11Å; T211-R213 VanDerWaalsContact C-N 3.33Å; T211-R213 PolarHBondContact O-N 3.18Å; T211-I214 PolarHBondContact O-N 3.27Å; T211-F215 WeakPolarHBondContact O-CB 3.41Å; T211-F215 PolarHBondContact O-N 2.98Å |
| 212 | A | 96.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L204 T207 D208 F215 R216 | L204-A212 HydrophobicContact CB-CB 4.33Å; L204-A212 HydrophobicContact CD1-CB 4.11Å; T207-A212 HydrophobicContact CG2-CB 3.99Å; D208-A212 WeakPolarHBondContact O-CB 3.28Å; D208-A212 PolarHBondContact O-N 3.35Å; A212-F215 PolarHBondContact O-N 3.07Å; A212-R216 WeakPolarHBondContact O-CB 3.19Å; A212-R216 PolarHBondContact O-N 3.21Å |
| 213 | R | 95.3 | Very high | 93.7 | Very high | 119 Ų | 119 | 63.7 Ų | 63.7 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 176.2 | -173.6 | -175.9 | 74.5 | 104.8 | 0.2 | 111.8 | E209 E210 T211 F215 R216 D217 | E209-R213 VanDerWaalsContact O-CB 3.24Å; E209-R213 WeakPolarHBondContact O-CB 3.27Å; E209-R213 PolarHBondContact O-N 2.66Å; E210-R213 WeakPolarHBondContact O-CB 3.25Å; E210-R213 PolarHBondContact O-N 3.38Å; E210-R213 IonicContact OE1-CZ 3.7Å; E210-R213 IonicContact OE1-NE 3.89Å; E210-R213 IonicContact OE1-NH2 3.56Å; E210-R213 PolarHBondContact OE1-NH2 3.23Å; E210-R213 IonicContact OE2-CZ 3.21Å; E210-R213 IonicContact OE2-NE 2.77Å; E210-R213 PolarHBondContact OE2-NE 3.33Å; E210-R213 IonicContact OE2-NH2 2.58Å; E210-R213 PolarHBondContact OE2-NH2 3.04Å; T211-R213 VanDerWaalsContact C-N 3.33Å; T211-R213 PolarHBondContact O-N 3.18Å; R213-F215 VanDerWaalsContact C-N 3.28Å; R213-F215 PolarHBondContact O-N 3.34Å; R213-R216 PolarHBondContact O-N 2.58Å; R213-D217 WeakPolarHBondContact CG-OD2 3.11Å; R213-D217 WeakPolarHBondContact O-CB 3.29Å; R213-D217 PolarHBondContact O-N 3.09Å |
| 214 | I | 94.9 | Very high | 93.5 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 13% | 0.128 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -59.7 | -42.1 | 177.1 | -67.7 | 166.8 | 0 | 0 | 0 | 110.3 | L149 F150 E210 T211 I218 Y219 F285 | L149-I214 HydrophobicContact CD2-CG2 4.28Å; F150-I214 HydrophobicContact CE2-CG2 3.82Å; F150-I214 HydrophobicContact CZ-CB 4.33Å; F150-I214 HydrophobicContact CZ-CG2 3.89Å; E210-I214 HydrophobicContact CG-CD1 3.98Å; E210-I214 VanDerWaalsContact O-CG1 3.26Å; E210-I214 WeakPolarHBondContact O-CG1 3.29Å; E210-I214 PolarHBondContact O-N 3.26Å; T211-I214 PolarHBondContact O-N 3.27Å; I214-I218 HydrophobicContact CG1-CD1 4.26Å; I214-I218 VanDerWaalsContact O-CB 3.27Å; I214-I218 WeakPolarHBondContact O-CB 3.42Å; I214-I218 PolarHBondContact O-N 3.46Å; I214-Y219 PolarHBondContact O-N 3.08Å; I214-F285 HydrophobicContact CD1-CE1 4.09Å; I214-F285 HydrophobicContact CD1-CZ 4.49Å; I214-F285 HydrophobicContact CG1-CE1 4.08Å; I214-F285 HydrophobicContact CG2-CE1 3.61Å; I214-F285 HydrophobicContact CG2-CZ 3.82Å |
| 215 | F | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -63.7 | -53.5 | 178.6 | -178.4 | -120.3 | 0 | 0 | 0 | 112.2 | I95 P97 F150 A199 L204 T211 A212 R213 Y219 L220 | I95-F215 HydrophobicContact CG2-CE2 3.8Å; I95-F215 HydrophobicContact CG2-CZ 4.16Å; P97-F215 HydrophobicContact CG-CB 4.16Å; P97-F215 HydrophobicContact CG-CD1 4.29Å; P97-F215 HydrophobicContact CG-CG 4.12Å; F150-F215 HydrophobicContact CB-CD2 4.13Å; F150-F215 HydrophobicContact CB-CE2 4.2Å; F150-F215 HydrophobicContact CD1-CD2 4.18Å; F150-F215 HydrophobicContact CD2-CB 4.4Å; F150-F215 AromaticContact CD2-CD2 3.55Å; F150-F215 HydrophobicContact CD2-CD2 3.55Å; F150-F215 HydrophobicContact CD2-CE2 4.36Å; F150-F215 HydrophobicContact CD2-CG 4.46Å; F150-F215 HydrophobicContact CE1-CB 4.25Å; F150-F215 HydrophobicContact CE1-CD2 4.45Å; F150-F215 VanDerWaalsContact CE2-CA 3.48Å; F150-F215 HydrophobicContact CE2-CB 3.81Å; F150-F215 AromaticContact CE2-CD2 3.85Å; F150-F215 HydrophobicContact CE2-CD2 3.85Å; F150-F215 HydrophobicContact CE2-CG 4.35Å; F150-F215 AromaticContact CG-CD2 3.71Å; F150-F215 HydrophobicContact CG-CD2 3.71Å; F150-F215 HydrophobicContact CG-CE2 4.27Å; F150-F215 HydrophobicContact CZ-CB 3.72Å; F150-F215 HydrophobicContact CZ-CD2 4.29Å; F150-F215 HydrophobicContact CZ-CG 4.48Å; A199-F215 HydrophobicContact CB-CZ 4.03Å; L204-F215 HydrophobicContact CD1-CD1 4.19Å; L204-F215 HydrophobicContact CD2-CD1 3.91Å; L204-F215 HydrophobicContact CD2-CE1 4.22Å; T211-F215 WeakPolarHBondContact O-CB 3.41Å; T211-F215 PolarHBondContact O-N 2.98Å; A212-F215 PolarHBondContact O-N 3.07Å; R213-F215 VanDerWaalsContact C-N 3.28Å; R213-F215 PolarHBondContact O-N 3.34Å; F215-Y219 AromaticContact CD2-CD1 3.81Å; F215-Y219 HydrophobicContact CD2-CD1 3.81Å; F215-Y219 AromaticContact CE2-CD1 3.79Å; F215-Y219 HydrophobicContact CE2-CD1 3.79Å; F215-Y219 HydrophobicContact CE2-CE1 4.1Å; F215-Y219 PolarHBondContact O-N 3.42Å; F215-L220 HydrophobicContact CD1-CD1 4.45Å; F215-L220 HydrophobicContact CE1-CD1 4.06Å; F215-L220 HydrophobicContact CE1-CG 4.43Å; F215-L220 HydrophobicContact CE2-CD2 4.08Å; F215-L220 HydrophobicContact CE2-CG 4.19Å; F215-L220 HydrophobicContact CZ-CD1 4.19Å; F215-L220 HydrophobicContact CZ-CD2 4Å; F215-L220 HydrophobicContact CZ-CG 4.16Å; F215-L220 WeakPolarHBondContact O-CG 3.37Å; F215-L220 PolarHBondContact O-N 3.32Å |
| 216 | R | 94.2 | Very high | 92.7 | Very high | 146 Ų | 146 | 62.4 Ų | 62.4 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -73.3 | -46.7 | -172.6 | -170.3 | -172.6 | -55.9 | 164.2 | 5.5 | 113.3 | A212 R213 P221 | A212-R216 WeakPolarHBondContact O-CB 3.19Å; A212-R216 PolarHBondContact O-N 3.21Å; R213-R216 PolarHBondContact O-N 2.58Å; R216-P221 VanDerWaalsContact O-CD 3.28Å; R216-P221 WeakPolarHBondContact O-CD 3.18Å |
| 217 | D | 91.8 | Very high | 92.3 | Very high | 100 Ų | 100 | 57.3 Ų | 57.3 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -98 | -19.8 | -166 | -57.7 | -23.1 | 0 | 0 | 0 | 112.4 | R213 | R213-D217 WeakPolarHBondContact CG-OD2 3.11Å; R213-D217 WeakPolarHBondContact O-CB 3.29Å; R213-D217 PolarHBondContact O-N 3.09Å |
| 218 | I | 91.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -111.9 | -62.8 | -177.4 | -54.3 | -177.7 | 0 | 0 | 0 | 110.1 | I214 Y222 I284 F285 | I214-I218 HydrophobicContact CG1-CD1 4.26Å; I214-I218 VanDerWaalsContact O-CB 3.27Å; I214-I218 WeakPolarHBondContact O-CB 3.42Å; I214-I218 PolarHBondContact O-N 3.46Å; I218-Y222 HydrophobicContact CG2-CD2 3.66Å; I218-Y222 HydrophobicContact CG2-CE2 3.46Å; I218-Y222 VanDerWaalsContact CG2-CE2 3.46Å; I218-Y222 WeakPolarHBondContact O-CB 3.49Å; I218-Y222 WeakPolarHBondContact O-CD2 3.19Å; I218-Y222 PolarHBondContact O-N 3.46Å; I218-I284 HydrophobicContact CG2-CG2 3.73Å; I218-F285 HydrophobicContact CD1-CD1 4.35Å; I218-F285 HydrophobicContact CD1-CE1 4.33Å |
| 219 | Y | 92.1 | Very high | 91.2 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -68.4 | -52.6 | -170.4 | 171.7 | -94.1 | 0 | 0 | 0 | 113.3 | I95 L149 F150 N151 I214 F215 Y222 S223 | I95-Y219 HydrophobicContact CG2-CD1 4.47Å; I95-Y219 HydrophobicContact CG2-CE1 3.49Å; I95-Y219 VanDerWaalsContact CG2-CE1 3.49Å; L149-Y219 HydrophobicContact CB-CD2 4.38Å; L149-Y219 HydrophobicContact CD2-CD2 4.43Å; L149-Y219 WeakPolarHBondContact O-CE2 3.29Å; F150-Y219 HydrophobicContact CB-CD1 4.35Å; F150-Y219 HydrophobicContact CB-CE1 4.29Å; F150-Y219 AromaticContact CD2-CD1 3.79Å; F150-Y219 HydrophobicContact CD2-CD1 3.79Å; F150-Y219 AromaticContact CD2-CD2 3.88Å; F150-Y219 HydrophobicContact CD2-CD2 3.88Å; F150-Y219 AromaticContact CD2-CG 3.45Å; F150-Y219 HydrophobicContact CD2-CG 3.45Å; F150-Y219 VanDerWaalsContact CD2-CG 3.45Å; F150-Y219 HydrophobicContact CE2-CG 4.11Å; F150-Y219 HydrophobicContact CG-CG 4.48Å; N151-Y219 PolarHBondContact ND2-OH 3.24Å; I214-Y219 PolarHBondContact O-N 3.08Å; F215-Y219 AromaticContact CD2-CD1 3.81Å; F215-Y219 HydrophobicContact CD2-CD1 3.81Å; F215-Y219 AromaticContact CE2-CD1 3.79Å; F215-Y219 HydrophobicContact CE2-CD1 3.79Å; F215-Y219 HydrophobicContact CE2-CE1 4.1Å; F215-Y219 PolarHBondContact O-N 3.42Å; Y219-Y222 PolarHBondContact O-N 3.13Å; Y219-S223 VanDerWaalsContact O-CB 3.31Å; Y219-S223 WeakPolarHBondContact O-CB 3.34Å; Y219-S223 PolarHBondContact O-N 3Å; Y219-S223 PolarHBondContact OH-OG 2.95Å |
| 220 | L | 91.4 | Very high | 90.7 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | -176.9 | -71.9 | 176.9 | 0 | 0 | 0 | 112.6 | Y196 A199 E200 F215 Y222 S223 R224 | Y196-L220 HydrophobicContact CD1-CD2 4.1Å; Y196-L220 HydrophobicContact CE1-CD2 4.2Å; A199-L220 HydrophobicContact CB-CD2 4.08Å; E200-L220 HydrophobicContact CG-CD1 4.25Å; F215-L220 HydrophobicContact CD1-CD1 4.45Å; F215-L220 HydrophobicContact CE1-CD1 4.06Å; F215-L220 HydrophobicContact CE1-CG 4.43Å; F215-L220 HydrophobicContact CE2-CD2 4.08Å; F215-L220 HydrophobicContact CE2-CG 4.19Å; F215-L220 HydrophobicContact CZ-CD1 4.19Å; F215-L220 HydrophobicContact CZ-CD2 4Å; F215-L220 HydrophobicContact CZ-CG 4.16Å; F215-L220 WeakPolarHBondContact O-CG 3.37Å; F215-L220 PolarHBondContact O-N 3.32Å; L220-Y222 PolarHBondContact O-N 3.17Å; L220-S223 PolarHBondContact O-N 2.66Å; L220-R224 WeakPolarHBondContact O-CG 3.42Å; L220-R224 PolarHBondContact O-N 2.73Å; L220-R224 VanDerWaalsContact O-N 3.08Å |
| 221 | P | 89.9 | Confident | 90.3 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -41.9 | 175.4 | -25.4 | 36.1 | 0 | 0 | 0 | 113.3 | R216 R224 K225 | R216-P221 VanDerWaalsContact O-CD 3.28Å; R216-P221 WeakPolarHBondContact O-CD 3.18Å; P221-R224 PolarHBondContact O-N 2.81Å; P221-K225 PolarHBondContact O-N 2.73Å |
| 222 | Y | 87.5 | Confident | 90.2 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 177.8 | -80 | -41.8 | 0 | 0 | 0 | 112.6 | I218 Y219 L220 R224 K225 V226 D288 F291 | I218-Y222 HydrophobicContact CG2-CD2 3.66Å; I218-Y222 HydrophobicContact CG2-CE2 3.46Å; I218-Y222 VanDerWaalsContact CG2-CE2 3.46Å; I218-Y222 WeakPolarHBondContact O-CB 3.49Å; I218-Y222 WeakPolarHBondContact O-CD2 3.19Å; I218-Y222 PolarHBondContact O-N 3.46Å; Y219-Y222 PolarHBondContact O-N 3.13Å; L220-Y222 PolarHBondContact O-N 3.17Å; Y222-R224 VanDerWaalsContact C-N 3.32Å; Y222-R224 PolarHBondContact O-N 3.04Å; Y222-K225 WeakPolarHBondContact O-CB 3.42Å; Y222-K225 PolarHBondContact O-N 2.88Å; Y222-K225 VanDerWaalsContact O-N 3.09Å; Y222-V226 WeakPolarHBondContact O-CG2 3.43Å; Y222-V226 PolarHBondContact O-N 3.47Å; Y222-D288 WeakPolarHBondContact OH-CA 3.34Å; Y222-D288 WeakPolarHBondContact OH-CB 3.4Å; Y222-F291 AromaticContact CD1-CD1 4Å; Y222-F291 HydrophobicContact CD1-CD1 4Å; Y222-F291 AromaticContact CD1-CE1 3.88Å; Y222-F291 HydrophobicContact CD1-CE1 3.88Å; Y222-F291 AromaticContact CE1-CD1 3.98Å; Y222-F291 HydrophobicContact CE1-CD1 3.98Å; Y222-F291 HydrophobicContact CE1-CE1 4.35Å; Y222-F291 HydrophobicContact CG-CE1 4.36Å |
| 223 | S | 87.9 | Confident | 90.1 | Very high | 14 Ų | 14 | 49 Ų | 49 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 179.7 | -156.3 | 0 | 0 | 0 | 0 | 109.3 | Y196 Y219 L220 K225 V226 F227 | Y196-S223 WeakPolarHBondContact OH-CA 3.48Å; Y196-S223 WeakPolarHBondContact OH-CB 3.49Å; Y196-S223 PolarHBondContact OH-O 3.31Å; Y196-S223 PolarHBondContact OH-OG 3.3Å; Y219-S223 VanDerWaalsContact O-CB 3.31Å; Y219-S223 WeakPolarHBondContact O-CB 3.34Å; Y219-S223 PolarHBondContact O-N 3Å; Y219-S223 PolarHBondContact OH-OG 2.95Å; L220-S223 PolarHBondContact O-N 2.66Å; S223-K225 VanDerWaalsContact C-N 3.3Å; S223-K225 PolarHBondContact O-N 3.49Å; S223-V226 WeakPolarHBondContact O-CB 3.46Å; S223-V226 PolarHBondContact O-N 3.34Å; S223-V226 VanDerWaalsContact O-N 3.07Å; S223-F227 WeakPolarHBondContact O-CD2 2.95Å; S223-F227 PolarHBondContact O-N 2.96Å |
| 224 | R | 87.1 | Confident | 90.2 | Very high | 106 Ų | 106 | 44.1 Ų | 44.1 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55 | -43 | 172.8 | -75 | 178.3 | 165.2 | 167.4 | -5.9 | 113.1 | Y196 E200 L220 P221 Y222 F227 T228 | Y196-R224 HydrophobicContact CD1-CG 4.24Å; Y196-R224 HydrophobicContact CE1-CG 3.75Å; Y196-R224 PolarHBondContact OH-N 2.95Å; Y196-R224 VanDerWaalsContact OH-N 3.13Å; E200-R224 IonicContact OE1-CZ 3.84Å; E200-R224 IonicContact OE1-NH1 3.06Å; E200-R224 PolarHBondContact OE1-NH1 2.81Å; E200-R224 IonicContact OE1-NH2 3.14Å; E200-R224 PolarHBondContact OE1-NH2 3.4Å; E200-R224 IonicContact OE2-CZ 3.68Å; E200-R224 IonicContact OE2-NH2 2.69Å; E200-R224 PolarHBondContact OE2-NH2 3.26Å; L220-R224 WeakPolarHBondContact O-CG 3.42Å; L220-R224 PolarHBondContact O-N 2.73Å; L220-R224 VanDerWaalsContact O-N 3.08Å; P221-R224 PolarHBondContact O-N 2.81Å; Y222-R224 VanDerWaalsContact C-N 3.32Å; Y222-R224 PolarHBondContact O-N 3.04Å; R224-F227 PolarHBondContact O-N 3.5Å; R224-T228 WeakPolarHBondContact O-CG2 3.03Å; R224-T228 PolarHBondContact O-N 3.46Å; R224-T228 PolarHBondContact O-OG1 3.28Å |
| 225 | K | 86.6 | Confident | 90.3 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 178.3 | -164.3 | 177.2 | 174.8 | 172.5 | 0 | 112.3 | P221 Y222 S223 T228 T229 N292 L295 | P221-K225 PolarHBondContact O-N 2.73Å; Y222-K225 WeakPolarHBondContact O-CB 3.42Å; Y222-K225 PolarHBondContact O-N 2.88Å; Y222-K225 VanDerWaalsContact O-N 3.09Å; S223-K225 VanDerWaalsContact C-N 3.3Å; S223-K225 PolarHBondContact O-N 3.49Å; K225-T228 WeakPolarHBondContact CA-OG1 3.49Å; K225-T228 PolarHBondContact O-OG1 3.44Å; K225-T228 VanDerWaalsContact O-OG1 3.08Å; K225-T229 WeakPolarHBondContact O-CB 3.07Å; K225-T229 PolarHBondContact O-N 2.97Å; K225-T229 PolarHBondContact O-OG1 2.91Å; K225-N292 WeakPolarHBondContact CD-OD1 3.41Å; K225-N292 VanDerWaalsContact NZ-CA 3.35Å; K225-N292 PolarHBondContact NZ-O 2.89Å; K225-N292 VanDerWaalsContact NZ-O 3.11Å; K225-N292 PolarHBondContact NZ-OD1 2.93Å; K225-L295 HydrophobicContact CB-CD1 4.36Å; K225-L295 HydrophobicContact CD-CB 4.5Å; K225-L295 HydrophobicContact CD-CD1 3.86Å; K225-L295 HydrophobicContact CG-CD1 3.87Å |
| 226 | V | 86.8 | Confident | 90.4 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 174.7 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | P186 Y222 S223 T228 T229 L230 F291 L295 | P186-V226 HydrophobicContact CG-CG1 3.81Å; Y222-V226 WeakPolarHBondContact O-CG2 3.43Å; Y222-V226 PolarHBondContact O-N 3.47Å; S223-V226 WeakPolarHBondContact O-CB 3.46Å; S223-V226 PolarHBondContact O-N 3.34Å; S223-V226 VanDerWaalsContact O-N 3.07Å; V226-T228 PolarHBondContact O-N 2.87Å; V226-T229 PolarHBondContact O-N 3.38Å; V226-L230 HydrophobicContact CG1-CD1 4.28Å; V226-L230 WeakPolarHBondContact O-CB 3.23Å; V226-L230 PolarHBondContact O-N 2.88Å; V226-F291 HydrophobicContact CG2-CE1 4.43Å; V226-F291 HydrophobicContact CG2-CZ 3.87Å; V226-L295 HydrophobicContact CG2-CD1 4.33Å |
| 227 | F | 86.4 | Confident | 90.6 | Very high | 34 Ų | 34 | 45 Ų | 45 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 177.6 | -88.5 | -91.2 | 0 | 0 | 0 | 112.1 | P186 M188 E192 Y196 S223 R224 T229 G231 | P186-F227 HydrophobicContact CB-CD1 3.52Å; P186-F227 HydrophobicContact CB-CD2 4.27Å; P186-F227 HydrophobicContact CB-CE1 3.66Å; P186-F227 HydrophobicContact CB-CE2 4.41Å; P186-F227 HydrophobicContact CB-CG 3.86Å; P186-F227 HydrophobicContact CB-CZ 4.13Å; M188-F227 HydrophobicContact SD-CB 3.89Å; M188-F227 HydrophobicContact SD-CD1 4.09Å; M188-F227 HydrophobicContact SD-CG 4.5Å; E192-F227 HydrophobicContact CB-CD1 4.44Å; E192-F227 HydrophobicContact CB-CE1 4.06Å; E192-F227 HydrophobicContact CG-CD1 3.56Å; E192-F227 HydrophobicContact CG-CE1 3.47Å; E192-F227 VanDerWaalsContact CG-CE1 3.47Å; E192-F227 HydrophobicContact CG-CG 4.17Å; E192-F227 HydrophobicContact CG-CZ 3.99Å; Y196-F227 HydrophobicContact CE2-CD2 4.07Å; Y196-F227 HydrophobicContact CE2-CE2 4.05Å; Y196-F227 WeakPolarHBondContact OH-CD2 3.19Å; S223-F227 WeakPolarHBondContact O-CD2 2.95Å; S223-F227 PolarHBondContact O-N 2.96Å; R224-F227 PolarHBondContact O-N 3.5Å; F227-T229 VanDerWaalsContact C-N 3.31Å; F227-T229 PolarHBondContact O-N 2.82Å; F227-G231 WeakPolarHBondContact O-CA 3.48Å; F227-G231 PolarHBondContact O-N 3.47Å |
| 228 | T | 85.6 | Confident | 90.9 | Very high | 85 Ų | 85 | 40.3 Ų | 40.3 | 52% | 0.521 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.7 | -22.5 | 178.8 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | R224 K225 V226 | R224-T228 WeakPolarHBondContact O-CG2 3.03Å; R224-T228 PolarHBondContact O-N 3.46Å; R224-T228 PolarHBondContact O-OG1 3.28Å; K225-T228 WeakPolarHBondContact CA-OG1 3.49Å; K225-T228 PolarHBondContact O-OG1 3.44Å; K225-T228 VanDerWaalsContact O-OG1 3.08Å; V226-T228 PolarHBondContact O-N 2.87Å |
| 229 | T | 84.6 | Confident | 91.2 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -97.7 | -41.8 | -176.4 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | K225 V226 F227 L295 L298 R299 N302 | K225-T229 WeakPolarHBondContact O-CB 3.07Å; K225-T229 PolarHBondContact O-N 2.97Å; K225-T229 PolarHBondContact O-OG1 2.91Å; V226-T229 PolarHBondContact O-N 3.38Å; F227-T229 VanDerWaalsContact C-N 3.31Å; F227-T229 PolarHBondContact O-N 2.82Å; T229-L295 HydrophobicContact CG2-CB 4.21Å; T229-L295 HydrophobicContact CG2-CD2 3.88Å; T229-L295 VanDerWaalsContact CG2-O 3.3Å; T229-L295 WeakPolarHBondContact CG2-O 3.49Å; T229-L298 HydrophobicContact CG2-CB 4.02Å; T229-R299 HydrophobicContact CG2-CB 4.09Å; T229-N302 PolarHBondContact O-ND2 2.98Å |
| 230 | L | 86.1 | Confident | 91.5 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -108.5 | -3.2 | -174.5 | -55.1 | -176.9 | 0 | 0 | 0 | 112.5 | P186 V226 N257 L259 Y260 L295 L298 | P186-L230 HydrophobicContact CG-CB 4.46Å; V226-L230 HydrophobicContact CG1-CD1 4.28Å; V226-L230 WeakPolarHBondContact O-CB 3.23Å; V226-L230 PolarHBondContact O-N 2.88Å; L230-N257 PolarHBondContact O-ND2 2.97Å; L230-L259 HydrophobicContact CD2-CB 4.2Å; L230-L259 HydrophobicContact CD2-CD1 3.99Å; L230-Y260 HydrophobicContact CD1-CD2 4.09Å; L230-Y260 HydrophobicContact CD1-CE2 4.26Å; L230-L295 HydrophobicContact CD1-CD2 4.4Å; L230-L295 HydrophobicContact CG-CD2 4.36Å; L230-L298 HydrophobicContact CD2-CD1 4.1Å |
| 231 | G | 88.6 | Confident | 91.8 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 32% | 0.32 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -61.1 | 136.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P186 F227 | P186-G231 CarbonylContact O-C 3.32Å; P186-G231 WeakPolarHBondContact O-CA 3.38Å; F227-G231 WeakPolarHBondContact O-CA 3.48Å; F227-G231 PolarHBondContact O-N 3.47Å |
| 232 | Q | 93.9 | Very high | 92.3 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -94.3 | 159.8 | 167.7 | -58.9 | -171.2 | -90.7 | 0 | 0 | 110.3 | P186 V187 M188 D236 V237 T256 N257 | P186-Q232 PolarHBondContact O-N 3.38Å; V187-Q232 WeakPolarHBondContact CA-O 3.48Å; V187-Q232 WeakPolarHBondContact CG1-O 3.44Å; M188-Q232 PolarHBondContact N-O 2.98Å; Q232-D236 HydrophobicContact CB-CB 4.19Å; Q232-V237 HydrophobicContact CB-CG2 4.48Å; Q232-T256 PolarHBondContact NE2-O 3.47Å; Q232-T256 PolarHBondContact OE1-OG1 3.46Å; Q232-N257 HydrophobicContact CG-CB 4.39Å; Q232-N257 VanDerWaalsContact OE1-CB 3.31Å |
| 233 | T | 95.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 43 Ų | 43 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -80.4 | 157.2 | 166.2 | 64.3 | 0 | 0 | 0 | 0 | 110.6 | E235 D236 V237 | T233-E235 PolarHBondContact O-N 3.31Å; T233-D236 PolarHBondContact N-OD2 3.41Å; T233-D236 WeakPolarHBondContact O-CB 3.31Å; T233-D236 PolarHBondContact O-N 2.92Å; T233-D236 PolarHBondContact OG1-N 3.29Å; T233-D236 VanDerWaalsContact OG1-N 3.08Å; T233-D236 PolarHBondContact OG1-OD2 2.94Å; T233-V237 PolarHBondContact O-N 3.41Å |
| 234 | P | 96.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.8 | -35.7 | 169 | -25.9 | 36.7 | 0 | 0 | 0 | 112.6 | A18 V187 M188 T189 V237 A238 | A18-P234 HydrophobicContact CB-CB 3.68Å; V187-P234 HydrophobicContact CG1-CG 4.42Å; M188-P234 WeakPolarHBondContact O-CD 3.43Å; T189-P234 HydrophobicContact CG2-CG 3.74Å; P234-V237 PolarHBondContact O-N 3.44Å; P234-A238 WeakPolarHBondContact O-CB 3.49Å; P234-A238 PolarHBondContact O-N 3.12Å |
| 235 | E | 97.7 | Very high | 93.8 | Very high | 113 Ų | 113 | 37.6 Ų | 37.6 | 53% | 0.528 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 179.3 | -69.1 | 67.5 | -149.3 | 0 | 0 | 112.2 | T233 V237 A238 E239 | T233-E235 PolarHBondContact O-N 3.31Å; E235-V237 VanDerWaalsContact C-N 3.32Å; E235-V237 PolarHBondContact O-N 2.76Å; E235-A238 WeakPolarHBondContact O-CB 3.41Å; E235-A238 PolarHBondContact O-N 3.18Å; E235-E239 PolarHBondContact O-N 2.85Å |
| 236 | D | 96.8 | Very high | 94.3 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 173.7 | -67.1 | -49.1 | 0 | 0 | 0 | 110.9 | Q232 T233 E239 Q240 | Q232-D236 HydrophobicContact CB-CB 4.19Å; T233-D236 PolarHBondContact N-OD2 3.41Å; T233-D236 WeakPolarHBondContact O-CB 3.31Å; T233-D236 PolarHBondContact O-N 2.92Å; T233-D236 PolarHBondContact OG1-N 3.29Å; T233-D236 VanDerWaalsContact OG1-N 3.08Å; T233-D236 PolarHBondContact OG1-OD2 2.94Å; D236-E239 PolarHBondContact O-N 3.1Å; D236-Q240 WeakPolarHBondContact O-CG 3.36Å; D236-Q240 PolarHBondContact O-N 2.77Å; D236-Q240 VanDerWaalsContact O-N 3.14Å |
| 237 | V | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | 178 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | I15 M139 V182 P184 V187 Q232 T233 P234 E235 E239 Q240 T241 T256 | I15-V237 HydrophobicContact CD1-CG1 4.32Å; I15-V237 HydrophobicContact CG1-CB 4.47Å; I15-V237 HydrophobicContact CG1-CG1 4.37Å; I15-V237 HydrophobicContact CG2-CB 4.35Å; I15-V237 HydrophobicContact CG2-CG1 3.69Å; M139-V237 HydrophobicContact CE-CG1 4.11Å; M139-V237 HydrophobicContact SD-CG1 3.92Å; V182-V237 HydrophobicContact CG1-CG1 4.37Å; P184-V237 HydrophobicContact CB-CG2 4.3Å; P184-V237 HydrophobicContact CG-CG1 4.02Å; P184-V237 HydrophobicContact CG-CG2 4.49Å; V187-V237 HydrophobicContact CG1-CG2 4.27Å; V187-V237 HydrophobicContact CG2-CG2 3.93Å; Q232-V237 HydrophobicContact CB-CG2 4.48Å; T233-V237 PolarHBondContact O-N 3.41Å; P234-V237 PolarHBondContact O-N 3.44Å; E235-V237 VanDerWaalsContact C-N 3.32Å; E235-V237 PolarHBondContact O-N 2.76Å; V237-E239 PolarHBondContact O-N 3.23Å; V237-Q240 PolarHBondContact O-N 2.78Å; V237-T241 WeakPolarHBondContact O-CB 3.46Å; V237-T241 PolarHBondContact O-N 3.06Å; V237-T241 PolarHBondContact O-OG1 3.32Å; V237-T256 HydrophobicContact CG1-CG2 4.39Å |
| 238 | A | 98.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A18 V19 R22 P234 E235 T241 H242 | A18-A238 HydrophobicContact CB-CB 3.85Å; V19-A238 HydrophobicContact CG2-CB 3.98Å; R22-A238 HydrophobicContact CB-CB 3.97Å; R22-A238 HydrophobicContact CG-CB 4.33Å; P234-A238 WeakPolarHBondContact O-CB 3.49Å; P234-A238 PolarHBondContact O-N 3.12Å; E235-A238 WeakPolarHBondContact O-CB 3.41Å; E235-A238 PolarHBondContact O-N 3.18Å; A238-T241 PolarHBondContact O-N 2.88Å; A238-H242 WeakPolarHBondContact O-CB 3.26Å; A238-H242 PolarHBondContact O-N 2.97Å |
| 239 | E | 98.2 | Very high | 95.7 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 176 | -177.1 | 56.1 | -145.4 | 0 | 0 | 111.7 | R22 E235 D236 V237 T241 H242 K243 | R22-E239 IonicContact CZ-OE2 2.81Å; R22-E239 IonicContact NE-OE2 2.81Å; R22-E239 PolarHBondContact NE-OE2 3.48Å; R22-E239 IonicContact NH2-OE1 4Å; R22-E239 PolarHBondContact NH2-OE1 3.35Å; R22-E239 IonicContact NH2-OE2 3.46Å; R22-E239 PolarHBondContact NH2-OE2 2.86Å; E235-E239 PolarHBondContact O-N 2.85Å; D236-E239 PolarHBondContact O-N 3.1Å; V237-E239 PolarHBondContact O-N 3.23Å; E239-T241 VanDerWaalsContact C-N 3.34Å; E239-T241 PolarHBondContact O-N 3.11Å; E239-H242 PolarHBondContact O-N 3Å; E239-K243 WeakPolarHBondContact O-CG 3.37Å; E239-K243 PolarHBondContact O-N 2.86Å; E239-K243 WeakPolarHBondContact OE1-CE 3.26Å |
| 240 | Q | 98.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 174.9 | -65.8 | -60.6 | -36.2 | 0 | 0 | 111.9 | D236 V237 K243 V244 H254 T256 | D236-Q240 WeakPolarHBondContact O-CG 3.36Å; D236-Q240 PolarHBondContact O-N 2.77Å; D236-Q240 VanDerWaalsContact O-N 3.14Å; V237-Q240 PolarHBondContact O-N 2.78Å; Q240-K243 WeakPolarHBondContact O-CB 3.47Å; Q240-K243 PolarHBondContact O-N 2.71Å; Q240-V244 WeakPolarHBondContact O-CG2 3.48Å; Q240-V244 PolarHBondContact O-N 2.83Å; Q240-H254 PolarHBondContact OE1-CE1 3.26Å; Q240-H254 PolarHBondContact OE1-NE2 3.28Å; Q240-T256 HydrophobicContact CB-CG2 3.88Å; Q240-T256 HydrophobicContact CG-CG2 4.2Å |
| 241 | T | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177.2 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | V19 V137 V237 A238 E239 K243 V244 I245 | V19-T241 HydrophobicContact CG1-CG2 4.04Å; V19-T241 HydrophobicContact CG2-CG2 4.16Å; V137-T241 HydrophobicContact CG1-CG2 4.22Å; V237-T241 WeakPolarHBondContact O-CB 3.46Å; V237-T241 PolarHBondContact O-N 3.06Å; V237-T241 PolarHBondContact O-OG1 3.32Å; A238-T241 PolarHBondContact O-N 2.88Å; E239-T241 VanDerWaalsContact C-N 3.34Å; E239-T241 PolarHBondContact O-N 3.11Å; T241-K243 PolarHBondContact O-N 3.11Å; T241-V244 PolarHBondContact O-N 3.42Å; T241-I245 HydrophobicContact CG2-CD1 3.84Å; T241-I245 WeakPolarHBondContact O-CG1 3.41Å; T241-I245 PolarHBondContact O-N 3.2Å |
| 242 | H | 98.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 173.2 | 174.8 | -81.4 | 0 | 0 | 0 | 111.8 | R22 L23 D26 R30 A238 E239 V244 I245 T246 | R22-H242 HydrophobicContact CG-CB 4.25Å; R22-H242 PolarHBondContact NH1-CD2 2.86Å; R22-H242 PolarHBondContact NH1-NE2 3.28Å; R22-H242 PolarHBondContact NH2-ND1 3.41Å; L23-H242 HydrophobicContact CD2-CB 4.43Å; D26-H242 IonicContact OD2-CD2 2.69Å; D26-H242 IonicContact OD2-CE1 3.66Å; D26-H242 IonicContact OD2-NE2 2.83Å; D26-H242 PolarHBondContact OD2-NE2 3.5Å; R30-H242 PolarHBondContact NH2-CE1 2.87Å; R30-H242 PolarHBondContact NH2-NE2 3.23Å; R30-H242 VanDerWaalsContact NH2-NE2 3.19Å; A238-H242 WeakPolarHBondContact O-CB 3.26Å; A238-H242 PolarHBondContact O-N 2.97Å; E239-H242 PolarHBondContact O-N 3Å; H242-V244 VanDerWaalsContact C-N 3.34Å; H242-V244 PolarHBondContact O-N 3.22Å; H242-I245 PolarHBondContact O-N 3.49Å; H242-T246 WeakPolarHBondContact O-CB 3.31Å; H242-T246 WeakPolarHBondContact O-CG2 3.07Å; H242-T246 PolarHBondContact O-N 3.34Å; H242-T246 PolarHBondContact O-OG1 3.37Å |
| 243 | K | 97.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 176 | -71.9 | 171 | -176 | 170.5 | 0 | 112.1 | E239 Q240 T241 T246 A247 | E239-K243 WeakPolarHBondContact O-CG 3.37Å; E239-K243 PolarHBondContact O-N 2.86Å; E239-K243 WeakPolarHBondContact OE1-CE 3.26Å; Q240-K243 WeakPolarHBondContact O-CB 3.47Å; Q240-K243 PolarHBondContact O-N 2.71Å; T241-K243 PolarHBondContact O-N 3.11Å; K243-T246 PolarHBondContact O-N 2.79Å; K243-T246 PolarHBondContact O-OG1 2.85Å; K243-A247 WeakPolarHBondContact O-CB 3.44Å; K243-A247 PolarHBondContact O-N 3.29Å |
| 244 | V | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 176.3 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | T180 Q240 T241 H242 T246 A247 P250 H254 | T180-V244 HydrophobicContact CG2-CG1 3.42Å; T180-V244 VanDerWaalsContact CG2-CG1 3.42Å; T180-V244 HydrophobicContact CG2-CG2 4.39Å; Q240-V244 WeakPolarHBondContact O-CG2 3.48Å; Q240-V244 PolarHBondContact O-N 2.83Å; T241-V244 PolarHBondContact O-N 3.42Å; H242-V244 VanDerWaalsContact C-N 3.34Å; H242-V244 PolarHBondContact O-N 3.22Å; V244-T246 PolarHBondContact O-N 3.09Å; V244-T246 VanDerWaalsContact O-N 3.16Å; V244-A247 PolarHBondContact O-N 3.36Å; V244-P250 HydrophobicContact CG1-CB 4.09Å; V244-P250 WeakPolarHBondContact O-CB 3.31Å; V244-H254 HydrophobicContact CG2-CB 3.89Å |
| 245 | I | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -23.9 | -179.1 | -70.4 | 168.3 | 0 | 0 | 0 | 112.4 | R4 L23 F31 V85 V87 V137 T241 H242 | R4-I245 PolarHBondContact NH1-O 3.03Å; R4-I245 PolarHBondContact NH2-O 3.48Å; L23-I245 HydrophobicContact CD1-CD1 3.92Å; L23-I245 HydrophobicContact CD2-CD1 4Å; F31-I245 HydrophobicContact CE1-CG2 3.73Å; F31-I245 HydrophobicContact CZ-CG2 3.73Å; V85-I245 HydrophobicContact CG1-CD1 4.09Å; V85-I245 HydrophobicContact CG1-CG1 4.08Å; V85-I245 HydrophobicContact CG1-CG2 4.31Å; V85-I245 HydrophobicContact CG2-CG2 4.13Å; V87-I245 HydrophobicContact CG2-CD1 3.86Å; V137-I245 HydrophobicContact CG2-CD1 4.46Å; V137-I245 HydrophobicContact CG2-CG1 3.85Å; T241-I245 HydrophobicContact CG2-CD1 3.84Å; T241-I245 WeakPolarHBondContact O-CG1 3.41Å; T241-I245 PolarHBondContact O-N 3.2Å; H242-I245 PolarHBondContact O-N 3.49Å |
| 246 | T | 97.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -103.5 | -8 | -175.6 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | R30 F31 H242 K243 V244 | R30-T246 VanDerWaalsContact NH2-CG2 3.35Å; F31-T246 HydrophobicContact CE2-CG2 4.21Å; F31-T246 HydrophobicContact CZ-CG2 3.76Å; H242-T246 WeakPolarHBondContact O-CB 3.31Å; H242-T246 WeakPolarHBondContact O-CG2 3.07Å; H242-T246 PolarHBondContact O-N 3.34Å; H242-T246 PolarHBondContact O-OG1 3.37Å; K243-T246 PolarHBondContact O-N 2.79Å; K243-T246 PolarHBondContact O-OG1 2.85Å; V244-T246 PolarHBondContact O-N 3.09Å; V244-T246 VanDerWaalsContact O-N 3.16Å |
| 247 | A | 97.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | trans | -64.1 | 141 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K243 V244 P250 | K243-A247 WeakPolarHBondContact O-CB 3.44Å; K243-A247 PolarHBondContact O-N 3.29Å; V244-A247 PolarHBondContact O-N 3.36Å; A247-P250 HydrophobicContact CB-CB 4.21Å | ||
| 248 | K | 94.9 | Very high | 96.8 | Very high | 175 Ų | 175 | 55.7 Ų | 55.7 | 76% | 0.761 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -62.7 | -47.5 | 173.8 | -175.1 | -178.9 | 175 | -175.4 | 0 | 110.5 | K178 | K178-K248 PolarHBondContact NZ-O 3.23Š|
| 249 | E | 95.7 | Very high | 96.1 | Very high | 147 Ų | 147 | 59.2 Ų | 59.2 | 69% | 0.687 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -124 | 85.1 | 176.8 | -60.8 | -54.4 | 145.3 | 0 | 0 | 108.6 | ||
| 250 | P | 97.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.123 | 27% | 0.272 | C | S | . | . | trans | -68.8 | 143.4 | 179 | 29.1 | -33.5 | 0 | 0 | 0 | 110.6 | K178 V244 A247 | K178-P250 HydrophobicContact CB-CG 4.04Å; K178-P250 HydrophobicContact CD-CG 3.67Å; K178-P250 HydrophobicContact CG-CG 4.11Å; V244-P250 HydrophobicContact CG1-CB 4.09Å; V244-P250 WeakPolarHBondContact O-CB 3.31Å; A247-P250 HydrophobicContact CB-CB 4.21Å | ||
| 251 | P | 98 | Very high | 94.7 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | trans | -71 | 162.4 | 177.8 | 32.5 | -36.7 | 0 | 0 | 0 | 111.2 | T180 R253 H254 | T180-P251 VanDerWaalsContact CB-O 3.32Å; T180-P251 WeakPolarHBondContact CB-O 3.48Å; T180-P251 WeakPolarHBondContact CG2-O 3.28Å; T180-P251 PolarHBondContact OG1-O 3.11Å; P251-R253 VanDerWaalsContact C-N 3.31Å; P251-R253 WeakPolarHBondContact CB-O 3.31Å; P251-R253 WeakPolarHBondContact CG-O 3.31Å; P251-H254 HydrophobicContact CG-CB 4.37Å | ||
| 252 | L | 98.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 62.4 Ų | 62.4 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -66 | -35 | 168.9 | 178.6 | 61 | 0 | 0 | 0 | 111.6 | E166 A169 T179 T180 L181 | E166-L252 HydrophobicContact CB-CD2 4.43Å; E166-L252 HydrophobicContact CG-CD2 4.18Å; A169-L252 HydrophobicContact CB-CD1 3.79Å; T179-L252 HydrophobicContact CG2-CD1 4.18Å; T180-L252 CarbonylContact C-O 3.55Å; T180-L252 WeakPolarHBondContact CA-O 3.21Å; L181-L252 HydrophobicContact CD1-CD1 4.09Å; L181-L252 HydrophobicContact CD1-CG 4.28Å; L181-L252 PolarHBondContact N-O 3.19Å |
| 253 | R | 97.9 | Very high | 93.3 | Very high | 93 Ų | 93 | 64 Ų | 64 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.6 | -178.2 | -68.6 | -178 | 174.1 | 93.5 | 5.9 | 111.6 | E162 E166 L181 E183 P251 | E162-R253 IonicContact OE2-CZ 3.57Å; E162-R253 IonicContact OE2-NE 2.68Å; E162-R253 PolarHBondContact OE2-NE 2.85Å; E162-R253 IonicContact OE2-NH2 2.71Å; E162-R253 PolarHBondContact OE2-NH2 3.22Å; E166-R253 IonicContact OE2-CZ 2.77Å; E166-R253 IonicContact OE2-NH1 2.98Å; E166-R253 PolarHBondContact OE2-NH1 2.9Å; E166-R253 IonicContact OE2-NH2 3.15Å; E166-R253 PolarHBondContact OE2-NH2 3.15Å; L181-R253 HydrophobicContact CB-CG 4.4Å; L181-R253 HydrophobicContact CD1-CG 4.29Å; L181-R253 CarbonylContact O-C 3.53Å; L181-R253 WeakPolarHBondContact O-CA 3.19Å; E183-R253 WeakPolarHBondContact OE1-CD 3.32Å; E183-R253 VanDerWaalsContact OE1-CG 3.26Å; E183-R253 WeakPolarHBondContact OE1-CG 3.43Å; E183-R253 IonicContact OE1-NE 3.04Å; P251-R253 VanDerWaalsContact C-N 3.31Å; P251-R253 WeakPolarHBondContact CB-O 3.31Å; P251-R253 WeakPolarHBondContact CG-O 3.31Å |
| 254 | H | 97.6 | Very high | 92.9 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 19% | 0.185 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 96 | 179.3 | -171.2 | 78.5 | 0 | 0 | 0 | 111.5 | T180 L181 E183 Q240 V244 P251 T256 | T180-H254 HydrophobicContact CG2-CB 4.32Å; L181-H254 PolarHBondContact O-N 3.01Å; E183-H254 PolarHBondContact N-O 3.38Å; Q240-H254 PolarHBondContact OE1-CE1 3.26Å; Q240-H254 PolarHBondContact OE1-NE2 3.28Å; V244-H254 HydrophobicContact CG2-CB 3.89Å; P251-H254 HydrophobicContact CG-CB 4.37Å; H254-T256 PolarHBondContact O-N 3.45Å |
| 255 | Q | 96.6 | Very high | 92.4 | Very high | 52 Ų | 52 | 62 Ų | 62 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 120.7 | 173.4 | -65.1 | -176.3 | 10.9 | 0 | 0 | 110.5 | I145 E183 M261 T264 | I145-Q255 HydrophobicContact CD1-CG 4.36Å; E183-Q255 HydrophobicContact CB-CG 4.02Å; E183-Q255 WeakPolarHBondContact OE2-CG 3.44Å; E183-Q255 PolarHBondContact OE2-NE2 3.11Å; Q255-M261 HydrophobicContact CB-CG 4.4Å; Q255-M261 VanDerWaalsContact OE1-CG 3.3Å; Q255-T264 PolarHBondContact NE2-OG1 2.93Å; Q255-T264 PolarHBondContact OE1-OG1 3.4Å; Q255-T264 VanDerWaalsContact OE1-OG1 3.05Å |
| 256 | T | 95.7 | Very high | 91.9 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.055 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -83.3 | -21.4 | -177 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | V182 E183 P184 Q232 V237 Q240 H254 | V182-T256 HydrophobicContact CG1-CG2 3.51Å; E183-T256 PolarHBondContact O-N 3.09Å; P184-T256 VanDerWaalsContact CA-OG1 3.31Å; P184-T256 WeakPolarHBondContact CA-OG1 3.42Å; Q232-T256 PolarHBondContact NE2-O 3.47Å; Q232-T256 PolarHBondContact OE1-OG1 3.46Å; V237-T256 HydrophobicContact CG1-CG2 4.39Å; Q240-T256 HydrophobicContact CB-CG2 3.88Å; Q240-T256 HydrophobicContact CG-CG2 4.2Å; H254-T256 PolarHBondContact O-N 3.45Å |
| 257 | N | 91.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | trans | -108.7 | 100 | -176 | -162.8 | -27.4 | 0 | 0 | 0 | 112.1 | L230 Q232 L259 Y260 | L230-N257 PolarHBondContact O-ND2 2.97Å; Q232-N257 HydrophobicContact CG-CB 4.39Å; Q232-N257 VanDerWaalsContact OE1-CB 3.31Å; N257-L259 PolarHBondContact O-N 3.42Å; N257-L259 WeakPolarHBondContact OD1-CB 3.42Å; N257-L259 PolarHBondContact OD1-N 2.81Å; N257-Y260 PolarHBondContact O-N 2.91Å; N257-Y260 VanDerWaalsContact O-N 3.1Å | ||
| 258 | R | 87.5 | Confident | 91 | Very high | 200 Ų | 200 | 69.9 Ų | 69.9 | 76% | 0.755 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -27.1 | -179.8 | -64 | -169 | 78 | 178 | 3.5 | 113.7 | Y260 M261 | R258-Y260 VanDerWaalsContact C-N 3.26Å; R258-Y260 PolarHBondContact O-N 2.63Å; R258-M261 HydrophobicContact CB-CE 3.62Å; R258-M261 HydrophobicContact CG-CE 3.79Å; R258-M261 HydrophobicContact CG-SD 4.45Å; R258-M261 WeakPolarHBondContact O-CE 3.37Å |
| 259 | L | 84 | Confident | 90.8 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.403 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -21.9 | 180 | -60 | 176.6 | 0 | 0 | 0 | 112.3 | L230 N257 | L230-L259 HydrophobicContact CD2-CB 4.2Å; L230-L259 HydrophobicContact CD2-CD1 3.99Å; N257-L259 PolarHBondContact O-N 3.42Å; N257-L259 WeakPolarHBondContact OD1-CB 3.42Å; N257-L259 PolarHBondContact OD1-N 2.81Å |
| 260 | Y | 81.8 | Confident | 90.5 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 10% | 0.102 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -16.3 | -179.2 | -139.8 | -88.9 | 0 | 0 | 0 | 113.1 | V142 P186 L230 N257 R258 P262 M263 T264 | V142-Y260 HydrophobicContact CB-CD1 3.92Å; V142-Y260 HydrophobicContact CB-CE1 4.05Å; V142-Y260 HydrophobicContact CG1-CD1 3.78Å; V142-Y260 HydrophobicContact CG1-CE1 4.4Å; V142-Y260 HydrophobicContact CG1-CG 4.31Å; V142-Y260 HydrophobicContact CG2-CD1 4.04Å; V142-Y260 HydrophobicContact CG2-CE1 3.86Å; P186-Y260 HydrophobicContact CG-CE2 4.46Å; L230-Y260 HydrophobicContact CD1-CD2 4.09Å; L230-Y260 HydrophobicContact CD1-CE2 4.26Å; N257-Y260 PolarHBondContact O-N 2.91Å; N257-Y260 VanDerWaalsContact O-N 3.1Å; R258-Y260 VanDerWaalsContact C-N 3.26Å; R258-Y260 PolarHBondContact O-N 2.63Å; Y260-P262 VanDerWaalsContact C-CD 3.44Å; Y260-M263 HydrophobicContact CD1-CB 4.49Å; Y260-M263 HydrophobicContact CE1-CB 4.45Å; Y260-M263 PolarHBondContact O-N 2.91Å; Y260-T264 HydrophobicContact CD1-CG2 4.32Å; Y260-T264 PolarHBondContact O-N 2.77Å |
| 261 | M | 85.8 | Confident | 90.2 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 33% | 0.33 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.5 | -38.2 | -177.2 | -60 | -170.5 | -64.1 | 0 | 0 | 115.1 | Q255 R258 M263 T264 A265 | Q255-M261 HydrophobicContact CB-CG 4.4Å; Q255-M261 VanDerWaalsContact OE1-CG 3.3Å; R258-M261 HydrophobicContact CB-CE 3.62Å; R258-M261 HydrophobicContact CG-CE 3.79Å; R258-M261 HydrophobicContact CG-SD 4.45Å; R258-M261 WeakPolarHBondContact O-CE 3.37Å; M261-M263 PolarHBondContact O-N 3.15Å; M261-T264 WeakPolarHBondContact CA-OG1 3.4Å; M261-T264 PolarHBondContact O-N 3.23Å; M261-T264 PolarHBondContact O-OG1 3.27Å; M261-A265 VanDerWaalsContact O-CB 3.31Å; M261-A265 WeakPolarHBondContact O-CB 3.31Å; M261-A265 PolarHBondContact O-N 2.94Å |
| 262 | P | 86.4 | Confident | 90 | Very high | 87 Ų | 87 | 67 Ų | 67 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.7 | -35.5 | 179 | -25.9 | 36.2 | 0 | 0 | 0 | 112.9 | Y260 L266 | Y260-P262 VanDerWaalsContact C-CD 3.44Å; P262-L266 PolarHBondContact O-N 3.47Å; P262-L266 VanDerWaalsContact O-N 3.11Å |
| 263 | M | 81.3 | Confident | 89.7 | Confident | 47 Ų | 47 | 66 Ų | 66 | 23% | 0.232 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 179 | -68.1 | -57 | -62.9 | 0 | 0 | 111.9 | Y260 M261 L266 F280 | Y260-M263 HydrophobicContact CD1-CB 4.49Å; Y260-M263 HydrophobicContact CE1-CB 4.45Å; Y260-M263 PolarHBondContact O-N 2.91Å; M261-M263 PolarHBondContact O-N 3.15Å; M263-L266 PolarHBondContact O-N 3.12Å; M263-F280 HydrophobicContact CE-CD1 4.23Å; M263-F280 HydrophobicContact CE-CD2 3.71Å; M263-F280 HydrophobicContact CE-CE1 3.77Å; M263-F280 HydrophobicContact CE-CE2 3.18Å; M263-F280 HydrophobicContact CE-CG 4.2Å; M263-F280 HydrophobicContact CE-CZ 3.23Å |
| 264 | T | 88.2 | Confident | 89.3 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72 | -35.4 | 177.7 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | V142 I145 Q255 Y260 M261 L266 K267 H268 | V142-T264 HydrophobicContact CB-CG2 4.42Å; V142-T264 HydrophobicContact CG1-CG2 4.41Å; I145-T264 HydrophobicContact CB-CG2 4.33Å; I145-T264 HydrophobicContact CD1-CG2 4.13Å; I145-T264 HydrophobicContact CG2-CG2 4.26Å; Q255-T264 PolarHBondContact NE2-OG1 2.93Å; Q255-T264 PolarHBondContact OE1-OG1 3.4Å; Q255-T264 VanDerWaalsContact OE1-OG1 3.05Å; Y260-T264 HydrophobicContact CD1-CG2 4.32Å; Y260-T264 PolarHBondContact O-N 2.77Å; M261-T264 WeakPolarHBondContact CA-OG1 3.4Å; M261-T264 PolarHBondContact O-N 3.23Å; M261-T264 PolarHBondContact O-OG1 3.27Å; T264-L266 VanDerWaalsContact C-N 3.34Å; T264-L266 PolarHBondContact O-N 3.34Å; T264-K267 WeakPolarHBondContact O-CB 3.5Å; T264-K267 PolarHBondContact O-N 3.06Å; T264-H268 PolarHBondContact O-CD2 2.97Å; T264-H268 VanDerWaalsContact O-CD2 3.28Å |
| 265 | A | 89 | Confident | 88.8 | Confident | 56 Ų | 56 | 71.5 Ų | 71.5 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M261 K267 H268 A269 | M261-A265 VanDerWaalsContact O-CB 3.31Å; M261-A265 WeakPolarHBondContact O-CB 3.31Å; M261-A265 PolarHBondContact O-N 2.94Å; A265-K267 PolarHBondContact O-N 2.98Å; A265-H268 PolarHBondContact O-N 3.22Å; A265-H268 VanDerWaalsContact O-N 3.1Å; A265-A269 PolarHBondContact O-N 3.14Å; A265-A269 VanDerWaalsContact O-N 3.1Å |
| 266 | L | 86.3 | Confident | 88.3 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.7 | -37.9 | 178.3 | -165.9 | 69.1 | 0 | 0 | 0 | 112.2 | P262 M263 T264 H268 A269 D270 L275 A279 | P262-L266 PolarHBondContact O-N 3.47Å; P262-L266 VanDerWaalsContact O-N 3.11Å; M263-L266 PolarHBondContact O-N 3.12Å; T264-L266 VanDerWaalsContact C-N 3.34Å; T264-L266 PolarHBondContact O-N 3.34Å; L266-H268 VanDerWaalsContact C-N 3.34Å; L266-H268 PolarHBondContact O-N 3.35Å; L266-A269 PolarHBondContact O-N 3.09Å; L266-D270 PolarHBondContact O-N 3.44Å; L266-L275 HydrophobicContact CD1-CD2 3.22Å; L266-L275 HydrophobicContact CD1-CG 3.75Å; L266-L275 HydrophobicContact CD2-CG 4.21Å; L266-L275 HydrophobicContact CG-CD2 3.77Å; L266-L275 HydrophobicContact CG-CG 3.95Å; L266-A279 HydrophobicContact CD2-CB 3.92Å |
| 267 | K | 87.9 | Confident | 88 | Confident | 60 Ų | 60 | 74.7 Ų | 74.7 | 26% | 0.261 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.6 | -178.3 | -176.3 | 176.9 | 157.6 | 0 | 112.2 | I145 Q146 F159 T264 A265 A269 | I145-K267 WeakPolarHBondContact O-CD 3.41Å; I145-K267 WeakPolarHBondContact O-CE 3.43Å; I145-K267 PolarHBondContact O-NZ 3.4Å; Q146-K267 HydrophobicContact CB-CD 4.32Å; F159-K267 VanDerWaalsContact CE1-NZ 3.27Å; T264-K267 WeakPolarHBondContact O-CB 3.5Å; T264-K267 PolarHBondContact O-N 3.06Å; A265-K267 PolarHBondContact O-N 2.98Å; K267-A269 VanDerWaalsContact C-N 3.32Å |
| 268 | H | 88.6 | Confident | 87.8 | Confident | 141 Ų | 141 | 77.5 Ų | 77.5 | 65% | 0.653 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -75.6 | -24.1 | -178.9 | -66 | -65.9 | 0 | 0 | 0 | 112.9 | T264 A265 L266 | T264-H268 PolarHBondContact O-CD2 2.97Å; T264-H268 VanDerWaalsContact O-CD2 3.28Å; A265-H268 PolarHBondContact O-N 3.22Å; A265-H268 VanDerWaalsContact O-N 3.1Å; L266-H268 VanDerWaalsContact C-N 3.34Å; L266-H268 PolarHBondContact O-N 3.35Å |
| 269 | A | 90.2 | Very high | 87.7 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74.7 | -25.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A265 L266 K267 | A265-A269 PolarHBondContact O-N 3.14Å; A265-A269 VanDerWaalsContact O-N 3.1Å; L266-A269 PolarHBondContact O-N 3.09Å; K267-A269 VanDerWaalsContact C-N 3.32Å |
| 270 | D | 90.4 | Very high | 87.7 | Confident | 25 Ų | 25 | 67 Ų | 67 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | trans | -119.2 | 101.3 | 179.2 | 175.7 | 20.9 | 0 | 0 | 0 | 111.6 | L266 T272 G273 R274 L275 | L266-D270 PolarHBondContact O-N 3.44Å; D270-T272 PolarHBondContact O-N 2.92Å; D270-T272 VanDerWaalsContact O-N 3.15Å; D270-T272 WeakPolarHBondContact OD1-CB 3.47Å; D270-T272 PolarHBondContact OD1-N 3.41Å; D270-T272 PolarHBondContact OD1-OG1 2.95Å; D270-T272 PolarHBondContact OD2-OG1 3.38Å; D270-G273 PolarHBondContact O-N 3.31Å; D270-G273 VanDerWaalsContact O-N 3.08Å; D270-R274 PolarHBondContact OD2-N 2.79Å; D270-L275 HydrophobicContact CB-CB 3.66Å; D270-L275 HydrophobicContact CB-CD2 4.05Å; D270-L275 WeakPolarHBondContact OD2-CB 3.31Å; D270-L275 PolarHBondContact OD2-N 3.28Å | ||
| 271 | P | 91.6 | Very high | 88 | Confident | 131 Ų | 131 | 71.6 Ų | 71.6 | 85% | 0.851 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14 | -179.4 | 29.7 | -35.6 | 0 | 0 | 0 | 113.3 | G273 | P271-G273 VanDerWaalsContact C-N 3.31Š|
| 272 | T | 93.9 | Very high | 88 | Confident | 106 Ų | 106 | 72.1 Ų | 72.1 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17.2 | 175.7 | 74.8 | 0 | 0 | 0 | 0 | 112.5 | D270 R274 | D270-T272 PolarHBondContact O-N 2.92Å; D270-T272 VanDerWaalsContact O-N 3.15Å; D270-T272 WeakPolarHBondContact OD1-CB 3.47Å; D270-T272 PolarHBondContact OD1-N 3.41Å; D270-T272 PolarHBondContact OD1-OG1 2.95Å; D270-T272 PolarHBondContact OD2-OG1 3.38Å; T272-R274 PolarHBondContact O-N 2.67Å; T272-R274 WeakPolarHBondContact OG1-CB 3.48Å; T272-R274 PolarHBondContact OG1-N 3.29Å |
| 273 | G | 91.3 | Very high | 87.8 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 70.6 | 3.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D270 P271 P276 L277 | D270-G273 PolarHBondContact O-N 3.31Å; D270-G273 VanDerWaalsContact O-N 3.08Å; P271-G273 VanDerWaalsContact C-N 3.31Å; G273-P276 WeakPolarHBondContact O-CD 3.21Å; G273-P276 WeakPolarHBondContact O-CG 3.41Å; G273-L277 VanDerWaalsContact O-CB 3.25Å; G273-L277 WeakPolarHBondContact O-CB 3.27Å; G273-L277 PolarHBondContact O-N 3.49Å |
| 274 | R | 89.6 | Confident | 87.8 | Confident | 165 Ų | 165 | 69.2 Ų | 69.2 | 62% | 0.623 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.9 | -44.5 | -177.4 | -176.1 | 175.4 | 178.8 | 159.5 | 4 | 111.8 | D270 T272 L277 E278 | D270-R274 PolarHBondContact OD2-N 2.79Å; T272-R274 PolarHBondContact O-N 2.67Å; T272-R274 WeakPolarHBondContact OG1-CB 3.48Å; T272-R274 PolarHBondContact OG1-N 3.29Å; R274-L277 PolarHBondContact O-N 2.87Å; R274-E278 HydrophobicContact CG-CG 4.18Å; R274-E278 IonicContact CZ-OE1 3.26Å; R274-E278 IonicContact NE-OE1 3.45Å; R274-E278 PolarHBondContact NE-OE1 3.42Å; R274-E278 IonicContact NH2-OE1 3.22Å; R274-E278 PolarHBondContact NH2-OE1 3Å; R274-E278 VanDerWaalsContact NH2-OE1 3.15Å; R274-E278 VanDerWaalsContact O-CB 3.31Å; R274-E278 WeakPolarHBondContact O-CB 3.49Å; R274-E278 WeakPolarHBondContact O-CG 3.43Å; R274-E278 PolarHBondContact O-N 2.98Å |
| 275 | L | 87 | Confident | 87.6 | Confident | 84 Ų | 84 | 72.5 Ų | 72.5 | 44% | 0.44 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -53.9 | -179 | -172.2 | 74.8 | 0 | 0 | 0 | 112.4 | L266 D270 L277 A279 | L266-L275 HydrophobicContact CD1-CD2 3.22Å; L266-L275 HydrophobicContact CD1-CG 3.75Å; L266-L275 HydrophobicContact CD2-CG 4.21Å; L266-L275 HydrophobicContact CG-CD2 3.77Å; L266-L275 HydrophobicContact CG-CG 3.95Å; D270-L275 HydrophobicContact CB-CB 3.66Å; D270-L275 HydrophobicContact CB-CD2 4.05Å; D270-L275 WeakPolarHBondContact OD2-CB 3.31Å; D270-L275 PolarHBondContact OD2-N 3.28Å; L275-L277 PolarHBondContact O-N 3.05Å; L275-A279 VanDerWaalsContact O-CB 3.24Å; L275-A279 WeakPolarHBondContact O-CB 3.41Å; L275-A279 PolarHBondContact O-N 2.94Å |
| 276 | P | 86.3 | Confident | 87 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.019 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 176 | 26.2 | -36.2 | 0 | 0 | 0 | 111.8 | G273 A279 F280 | G273-P276 WeakPolarHBondContact O-CD 3.21Å; G273-P276 WeakPolarHBondContact O-CG 3.41Å; P276-A279 PolarHBondContact O-N 3.42Å; P276-F280 VanDerWaalsContact O-CD2 3.29Å; P276-F280 WeakPolarHBondContact O-CD2 3.47Å; P276-F280 PolarHBondContact O-N 3.49Å |
| 277 | L | 88.7 | Confident | 86.6 | Confident | 125 Ų | 125 | 78.3 Ų | 78.3 | 65% | 0.654 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64 | -47.9 | -179.8 | -175.3 | 64 | 0 | 0 | 0 | 112.1 | G273 R274 L275 A279 F280 Y281 | G273-L277 VanDerWaalsContact O-CB 3.25Å; G273-L277 WeakPolarHBondContact O-CB 3.27Å; G273-L277 PolarHBondContact O-N 3.49Å; R274-L277 PolarHBondContact O-N 2.87Å; L275-L277 PolarHBondContact O-N 3.05Å; L277-A279 VanDerWaalsContact C-N 3.33Å; L277-A279 PolarHBondContact O-N 3.28Å; L277-F280 PolarHBondContact O-N 3.22Å; L277-Y281 VanDerWaalsContact O-CB 3.25Å; L277-Y281 WeakPolarHBondContact O-CB 3.5Å; L277-Y281 PolarHBondContact O-N 2.85Å |
| 278 | E | 87.8 | Confident | 85.7 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 31% | 0.313 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.2 | -78 | -165.6 | -163 | 0 | 0 | 111.9 | R274 K282 | R274-E278 HydrophobicContact CG-CG 4.18Å; R274-E278 IonicContact CZ-OE1 3.26Å; R274-E278 IonicContact NE-OE1 3.45Å; R274-E278 PolarHBondContact NE-OE1 3.42Å; R274-E278 IonicContact NH2-OE1 3.22Å; R274-E278 PolarHBondContact NH2-OE1 3Å; R274-E278 VanDerWaalsContact NH2-OE1 3.15Å; R274-E278 VanDerWaalsContact O-CB 3.31Å; R274-E278 WeakPolarHBondContact O-CB 3.49Å; R274-E278 WeakPolarHBondContact O-CG 3.43Å; R274-E278 PolarHBondContact O-N 2.98Å; E278-K282 VanDerWaalsContact O-CB 3.27Å; E278-K282 WeakPolarHBondContact O-CB 3.37Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 2.96Å; E278-K282 IonicContact OE2-NZ 2.81Å; E278-K282 PolarHBondContact OE2-NZ 3.41Å |
| 279 | A | 84.9 | Confident | 84.8 | Confident | 36 Ų | 36 | 76 Ų | 76 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L266 L275 P276 L277 K282 M283 | L266-A279 HydrophobicContact CD2-CB 3.92Å; L275-A279 VanDerWaalsContact O-CB 3.24Å; L275-A279 WeakPolarHBondContact O-CB 3.41Å; L275-A279 PolarHBondContact O-N 2.94Å; P276-A279 PolarHBondContact O-N 3.42Å; L277-A279 VanDerWaalsContact C-N 3.33Å; L277-A279 PolarHBondContact O-N 3.28Å; A279-K282 PolarHBondContact O-N 3.33Å; A279-M283 WeakPolarHBondContact O-CB 3.45Å; A279-M283 PolarHBondContact O-N 2.99Å |
| 280 | F | 84.6 | Confident | 83.8 | Confident | 21 Ų | 21 | 76.7 Ų | 76.7 | 9% | 0.092 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 176.8 | -88.9 | -76.2 | 0 | 0 | 0 | 112 | Q146 L148 M263 P276 L277 K282 M283 I284 | Q146-F280 HydrophobicContact CG-CE2 3.77Å; Q146-F280 HydrophobicContact CG-CZ 4.25Å; L148-F280 HydrophobicContact CD2-CD1 4.01Å; L148-F280 HydrophobicContact CD2-CE1 3.3Å; L148-F280 HydrophobicContact CD2-CE2 4.4Å; L148-F280 HydrophobicContact CD2-CZ 3.53Å; M263-F280 HydrophobicContact CE-CD1 4.23Å; M263-F280 HydrophobicContact CE-CD2 3.71Å; M263-F280 HydrophobicContact CE-CE1 3.77Å; M263-F280 HydrophobicContact CE-CE2 3.18Å; M263-F280 HydrophobicContact CE-CG 4.2Å; M263-F280 HydrophobicContact CE-CZ 3.23Å; P276-F280 VanDerWaalsContact O-CD2 3.29Å; P276-F280 WeakPolarHBondContact O-CD2 3.47Å; P276-F280 PolarHBondContact O-N 3.49Å; L277-F280 PolarHBondContact O-N 3.22Å; F280-K282 PolarHBondContact O-N 3.2Å; F280-M283 HydrophobicContact CD1-CE 3.49Å; F280-M283 VanDerWaalsContact CD1-CE 3.49Å; F280-M283 HydrophobicContact CE1-CE 3.7Å; F280-M283 HydrophobicContact CG-CE 4.43Å; F280-M283 PolarHBondContact O-N 3.3Å; F280-I284 WeakPolarHBondContact O-CG1 3.26Å; F280-I284 PolarHBondContact O-N 3.48Å |
| 281 | Y | 88.1 | Confident | 82.9 | Confident | 123 Ų | 123 | 76.9 Ų | 76.9 | 48% | 0.482 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -49.2 | 177.6 | -179.9 | -88.4 | 0 | 0 | 0 | 111.5 | L277 M283 I284 F285 K286 | L277-Y281 VanDerWaalsContact O-CB 3.25Å; L277-Y281 WeakPolarHBondContact O-CB 3.5Å; L277-Y281 PolarHBondContact O-N 2.85Å; Y281-M283 VanDerWaalsContact C-N 3.34Å; Y281-M283 PolarHBondContact O-N 2.77Å; Y281-I284 PolarHBondContact O-N 2.89Å; Y281-F285 AromaticContact CD2-CD2 3.49Å; Y281-F285 HydrophobicContact CD2-CD2 3.49Å; Y281-F285 VanDerWaalsContact CD2-CD2 3.49Å; Y281-F285 AromaticContact CD2-CE2 3.88Å; Y281-F285 HydrophobicContact CD2-CE2 3.88Å; Y281-F285 HydrophobicContact CE1-CB 4.45Å; Y281-F285 AromaticContact CE2-CD2 3.58Å; Y281-F285 HydrophobicContact CE2-CD2 3.58Å; Y281-F285 HydrophobicContact CE2-CE2 4.05Å; Y281-F285 HydrophobicContact CE2-CG 4.29Å; Y281-F285 HydrophobicContact CG-CD2 4.01Å; Y281-F285 WeakPolarHBondContact O-CB 3.15Å; Y281-F285 WeakPolarHBondContact O-CD2 3.36Å; Y281-F285 PolarHBondContact O-N 2.77Å; Y281-K286 HydrophobicContact CE1-CD 4.3Å; Y281-K286 HydrophobicContact CE1-CG 4.49Å |
| 282 | K | 86.1 | Confident | 81.9 | Confident | 78 Ų | 78 | 73 Ų | 73 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 178.9 | -71.4 | 170.1 | -169.7 | 162.6 | 0 | 111.4 | E278 A279 F280 I284 K286 H287 | E278-K282 VanDerWaalsContact O-CB 3.27Å; E278-K282 WeakPolarHBondContact O-CB 3.37Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 2.96Å; E278-K282 IonicContact OE2-NZ 2.81Å; E278-K282 PolarHBondContact OE2-NZ 3.41Å; A279-K282 PolarHBondContact O-N 3.33Å; F280-K282 PolarHBondContact O-N 3.2Å; K282-I284 VanDerWaalsContact C-N 3.35Å; K282-I284 PolarHBondContact O-N 2.71Å; K282-K286 HydrophobicContact CB-CB 4.46Å; K282-K286 HydrophobicContact CG-CD 4.31Å; K282-K286 CarbonylContact O-C 3.6Å; K282-K286 WeakPolarHBondContact O-CA 3.24Å; K282-K286 PolarHBondContact O-N 3.35Å; K282-H287 PolarHBondContact O-N 2.96Å |
| 283 | M | 81.6 | Confident | 80.8 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 22% | 0.217 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 178.2 | -176 | 176.9 | 73.4 | 0 | 0 | 112.4 | A279 F280 Y281 F291 | A279-M283 WeakPolarHBondContact O-CB 3.45Å; A279-M283 PolarHBondContact O-N 2.99Å; F280-M283 HydrophobicContact CD1-CE 3.49Å; F280-M283 VanDerWaalsContact CD1-CE 3.49Å; F280-M283 HydrophobicContact CE1-CE 3.7Å; F280-M283 HydrophobicContact CG-CE 4.43Å; F280-M283 PolarHBondContact O-N 3.3Å; Y281-M283 VanDerWaalsContact C-N 3.34Å; Y281-M283 PolarHBondContact O-N 2.77Å; M283-F291 HydrophobicContact CE-CE2 4.05Å; M283-F291 HydrophobicContact CE-CZ 4.35Å; M283-F291 HydrophobicContact CG-CB 4.09Å; M283-F291 HydrophobicContact CG-CD1 4.4Å; M283-F291 HydrophobicContact CG-CD2 3.25Å; M283-F291 HydrophobicContact CG-CE2 3.64Å; M283-F291 HydrophobicContact CG-CG 3.67Å; M283-F291 HydrophobicContact CG-CZ 4.34Å; M283-F291 HydrophobicContact SD-CD2 3.45Å; M283-F291 WeakPolarHBondContact SD-CD2 3.35Å; M283-F291 HydrophobicContact SD-CE2 3.26Å; M283-F291 WeakPolarHBondContact SD-CE2 3.47Å; M283-F291 HydrophobicContact SD-CG 4.41Å; M283-F291 HydrophobicContact SD-CZ 4.11Å |
| 284 | I | 81.3 | Confident | 80 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -80.8 | -44.5 | -178.7 | -64.8 | 171.3 | 0 | 0 | 0 | 111.6 | L149 I218 F280 Y281 K282 | L149-I284 HydrophobicContact CB-CD1 4.42Å; L149-I284 HydrophobicContact CD2-CD1 4.19Å; L149-I284 HydrophobicContact CD2-CG2 4.45Å; I218-I284 HydrophobicContact CG2-CG2 3.73Å; F280-I284 WeakPolarHBondContact O-CG1 3.26Å; F280-I284 PolarHBondContact O-N 3.48Å; Y281-I284 PolarHBondContact O-N 2.89Å; K282-I284 VanDerWaalsContact C-N 3.35Å; K282-I284 PolarHBondContact O-N 2.71Å |
| 285 | F | 83.8 | Confident | 79.3 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 32% | 0.316 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -109.3 | -15.5 | -166 | -60.1 | -69.7 | 0 | 0 | 0 | 115.9 | L149 I214 I218 Y281 | L149-F285 HydrophobicContact CD2-CZ 4.01Å; I214-F285 HydrophobicContact CD1-CE1 4.09Å; I214-F285 HydrophobicContact CD1-CZ 4.49Å; I214-F285 HydrophobicContact CG1-CE1 4.08Å; I214-F285 HydrophobicContact CG2-CE1 3.61Å; I214-F285 HydrophobicContact CG2-CZ 3.82Å; I218-F285 HydrophobicContact CD1-CD1 4.35Å; I218-F285 HydrophobicContact CD1-CE1 4.33Å; Y281-F285 AromaticContact CD2-CD2 3.49Å; Y281-F285 HydrophobicContact CD2-CD2 3.49Å; Y281-F285 VanDerWaalsContact CD2-CD2 3.49Å; Y281-F285 AromaticContact CD2-CE2 3.88Å; Y281-F285 HydrophobicContact CD2-CE2 3.88Å; Y281-F285 HydrophobicContact CE1-CB 4.45Å; Y281-F285 AromaticContact CE2-CD2 3.58Å; Y281-F285 HydrophobicContact CE2-CD2 3.58Å; Y281-F285 HydrophobicContact CE2-CE2 4.05Å; Y281-F285 HydrophobicContact CE2-CG 4.29Å; Y281-F285 HydrophobicContact CG-CD2 4.01Å; Y281-F285 WeakPolarHBondContact O-CB 3.15Å; Y281-F285 WeakPolarHBondContact O-CD2 3.36Å; Y281-F285 PolarHBondContact O-N 2.77Å |
| 286 | K | 77.6 | Confident | 78.5 | Confident | 132 Ų | 132 | 61.9 Ų | 61.9 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -21.2 | -173.3 | -67.7 | -171.9 | 167.4 | -179.8 | 0 | 115.4 | Y281 K282 | Y281-K286 HydrophobicContact CE1-CD 4.3Å; Y281-K286 HydrophobicContact CE1-CG 4.49Å; K282-K286 HydrophobicContact CB-CB 4.46Å; K282-K286 HydrophobicContact CG-CD 4.31Å; K282-K286 CarbonylContact O-C 3.6Å; K282-K286 WeakPolarHBondContact O-CA 3.24Å; K282-K286 PolarHBondContact O-N 3.35Å |
| 287 | H | 76.6 | Confident | 77.8 | Confident | 95 Ų | 95 | 66.2 Ų | 66.2 | 44% | 0.44 | 36% | 0.355 | S | S | . | . | trans | -130 | 38.1 | -174.2 | -63.4 | -42.6 | 0 | 0 | 0 | 111.6 | K282 A289 V290 F291 | K282-H287 PolarHBondContact O-N 2.96Å; H287-A289 VanDerWaalsContact C-N 3.29Å; H287-A289 PolarHBondContact O-N 3.33Å; H287-V290 HydrophobicContact CB-CB 4.29Å; H287-V290 PolarHBondContact O-N 3.33Å; H287-F291 WeakPolarHBondContact O-CB 3.41Å; H287-F291 PolarHBondContact O-N 3.27Å | ||
| 288 | D | 70.3 | Confident | 77.1 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -47.3 | -49.3 | 175.7 | 61.6 | -19.7 | 0 | 0 | 0 | 112.7 | Y222 V290 F291 N292 | Y222-D288 WeakPolarHBondContact OH-CA 3.34Å; Y222-D288 WeakPolarHBondContact OH-CB 3.4Å; D288-V290 PolarHBondContact O-N 2.87Å; D288-F291 PolarHBondContact O-N 3.42Å; D288-N292 WeakPolarHBondContact O-CB 3.42Å; D288-N292 PolarHBondContact O-N 3.18Å; D288-N292 PolarHBondContact O-ND2 3.37Å |
| 289 | A | 68.7 | Low | 76.3 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H287 N292 A293 | H287-A289 VanDerWaalsContact C-N 3.29Å; H287-A289 PolarHBondContact O-N 3.33Å; A289-N292 PolarHBondContact O-N 2.86Å; A289-A293 WeakPolarHBondContact O-CB 3.3Å; A289-A293 PolarHBondContact O-N 3.43Å |
| 290 | V | 70.4 | Confident | 75.5 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.2 | -42.6 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | H287 D288 N292 A293 T294 | H287-V290 HydrophobicContact CB-CB 4.29Å; H287-V290 PolarHBondContact O-N 3.33Å; D288-V290 PolarHBondContact O-N 2.87Å; V290-N292 VanDerWaalsContact C-N 3.34Å; V290-A293 PolarHBondContact O-N 2.93Å; V290-T294 WeakPolarHBondContact O-CB 3.28Å; V290-T294 PolarHBondContact O-N 3.38Å; V290-T294 PolarHBondContact O-OG1 3.06Å |
| 291 | F | 71.8 | Confident | 74.8 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 13% | 0.132 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.6 | -178.4 | -115.7 | 0 | 0 | 0 | 110.9 | Y222 V226 M283 H287 D288 A293 T294 L295 | Y222-F291 AromaticContact CD1-CD1 4Å; Y222-F291 HydrophobicContact CD1-CD1 4Å; Y222-F291 AromaticContact CD1-CE1 3.88Å; Y222-F291 HydrophobicContact CD1-CE1 3.88Å; Y222-F291 AromaticContact CE1-CD1 3.98Å; Y222-F291 HydrophobicContact CE1-CD1 3.98Å; Y222-F291 HydrophobicContact CE1-CE1 4.35Å; Y222-F291 HydrophobicContact CG-CE1 4.36Å; V226-F291 HydrophobicContact CG2-CE1 4.43Å; V226-F291 HydrophobicContact CG2-CZ 3.87Å; M283-F291 HydrophobicContact CE-CE2 4.05Å; M283-F291 HydrophobicContact CE-CZ 4.35Å; M283-F291 HydrophobicContact CG-CB 4.09Å; M283-F291 HydrophobicContact CG-CD1 4.4Å; M283-F291 HydrophobicContact CG-CD2 3.25Å; M283-F291 HydrophobicContact CG-CE2 3.64Å; M283-F291 HydrophobicContact CG-CG 3.67Å; M283-F291 HydrophobicContact CG-CZ 4.34Å; M283-F291 HydrophobicContact SD-CD2 3.45Å; M283-F291 WeakPolarHBondContact SD-CD2 3.35Å; M283-F291 HydrophobicContact SD-CE2 3.26Å; M283-F291 WeakPolarHBondContact SD-CE2 3.47Å; M283-F291 HydrophobicContact SD-CG 4.41Å; M283-F291 HydrophobicContact SD-CZ 4.11Å; H287-F291 WeakPolarHBondContact O-CB 3.41Å; H287-F291 PolarHBondContact O-N 3.27Å; D288-F291 PolarHBondContact O-N 3.42Å; F291-A293 PolarHBondContact O-N 3.44Å; F291-T294 PolarHBondContact O-N 3.37Å; F291-L295 HydrophobicContact CD1-CD1 4Å; F291-L295 HydrophobicContact CD2-CG 4.49Å; F291-L295 HydrophobicContact CE1-CD1 3.44Å; F291-L295 VanDerWaalsContact CE1-CD1 3.44Å; F291-L295 HydrophobicContact CE1-CG 4.31Å; F291-L295 HydrophobicContact CE2-CD1 4.09Å; F291-L295 HydrophobicContact CE2-CD2 4.42Å; F291-L295 HydrophobicContact CE2-CG 4.15Å; F291-L295 HydrophobicContact CZ-CD1 3.51Å; F291-L295 HydrophobicContact CZ-CD2 4.41Å; F291-L295 HydrophobicContact CZ-CG 4.08Å; F291-L295 PolarHBondContact O-N 3.07Å |
| 292 | N | 69.3 | Low | 73.5 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.8 | -82.1 | -46.3 | 0 | 0 | 0 | 113.1 | K225 D288 A289 V290 G296 | K225-N292 WeakPolarHBondContact CD-OD1 3.41Å; K225-N292 VanDerWaalsContact NZ-CA 3.35Å; K225-N292 PolarHBondContact NZ-O 2.89Å; K225-N292 VanDerWaalsContact NZ-O 3.11Å; K225-N292 PolarHBondContact NZ-OD1 2.93Å; D288-N292 WeakPolarHBondContact O-CB 3.42Å; D288-N292 PolarHBondContact O-N 3.18Å; D288-N292 PolarHBondContact O-ND2 3.37Å; A289-N292 PolarHBondContact O-N 2.86Å; V290-N292 VanDerWaalsContact C-N 3.34Å; N292-G296 PolarHBondContact O-N 3.33Å |
| 293 | A | 70.3 | Confident | 71.8 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A289 V290 F291 G296 I297 | A289-A293 WeakPolarHBondContact O-CB 3.3Å; A289-A293 PolarHBondContact O-N 3.43Å; V290-A293 PolarHBondContact O-N 2.93Å; F291-A293 PolarHBondContact O-N 3.44Å; A293-G296 WeakPolarHBondContact O-CA 3.17Å; A293-G296 PolarHBondContact O-N 3.27Å; A293-G296 VanDerWaalsContact O-N 3.13Å; A293-I297 WeakPolarHBondContact O-CG1 3.35Å; A293-I297 PolarHBondContact O-N 3.37Å |
| 294 | T | 75.2 | Confident | 70.1 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 41% | 0.411 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 179.2 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | V290 F291 G296 I297 L298 | V290-T294 WeakPolarHBondContact O-CB 3.28Å; V290-T294 PolarHBondContact O-N 3.38Å; V290-T294 PolarHBondContact O-OG1 3.06Å; F291-T294 PolarHBondContact O-N 3.37Å; T294-G296 VanDerWaalsContact C-N 3.28Å; T294-G296 PolarHBondContact O-N 3.03Å; T294-I297 PolarHBondContact O-N 3.4Å; T294-L298 HydrophobicContact CG2-CD1 4.3Å; T294-L298 WeakPolarHBondContact O-CG 3.29Å; T294-L298 PolarHBondContact O-N 3.27Å |
| 295 | L | 75.7 | Confident | 68.7 | Low | 4 Ų | 4 | 90.4 Ų | 90.4 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 173.7 | -71.4 | -179.3 | 0 | 0 | 0 | 111.7 | K225 V226 T229 L230 F291 L298 R299 | K225-L295 HydrophobicContact CB-CD1 4.36Å; K225-L295 HydrophobicContact CD-CB 4.5Å; K225-L295 HydrophobicContact CD-CD1 3.86Å; K225-L295 HydrophobicContact CG-CD1 3.87Å; V226-L295 HydrophobicContact CG2-CD1 4.33Å; T229-L295 HydrophobicContact CG2-CB 4.21Å; T229-L295 HydrophobicContact CG2-CD2 3.88Å; T229-L295 VanDerWaalsContact CG2-O 3.3Å; T229-L295 WeakPolarHBondContact CG2-O 3.49Å; L230-L295 HydrophobicContact CD1-CD2 4.4Å; L230-L295 HydrophobicContact CG-CD2 4.36Å; F291-L295 HydrophobicContact CD1-CD1 4Å; F291-L295 HydrophobicContact CD2-CG 4.49Å; F291-L295 HydrophobicContact CE1-CD1 3.44Å; F291-L295 VanDerWaalsContact CE1-CD1 3.44Å; F291-L295 HydrophobicContact CE1-CG 4.31Å; F291-L295 HydrophobicContact CE2-CD1 4.09Å; F291-L295 HydrophobicContact CE2-CD2 4.42Å; F291-L295 HydrophobicContact CE2-CG 4.15Å; F291-L295 HydrophobicContact CZ-CD1 3.51Å; F291-L295 HydrophobicContact CZ-CD2 4.41Å; F291-L295 HydrophobicContact CZ-CG 4.08Å; F291-L295 PolarHBondContact O-N 3.07Å; L295-L298 PolarHBondContact O-N 2.95Å; L295-R299 WeakPolarHBondContact O-CB 3.35Å; L295-R299 PolarHBondContact O-N 2.94Å |
| 296 | G | 68.5 | Low | 66.6 | Low | 24 Ų | 24 | 90 Ų | 90 | 25% | 0.247 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N292 A293 T294 R299 M300 | N292-G296 PolarHBondContact O-N 3.33Å; A293-G296 WeakPolarHBondContact O-CA 3.17Å; A293-G296 PolarHBondContact O-N 3.27Å; A293-G296 VanDerWaalsContact O-N 3.13Å; T294-G296 VanDerWaalsContact C-N 3.28Å; T294-G296 PolarHBondContact O-N 3.03Å; G296-R299 PolarHBondContact O-N 2.67Å; G296-M300 WeakPolarHBondContact O-CG 3.26Å; G296-M300 PolarHBondContact O-N 2.55Å |
| 297 | I | 72.3 | Confident | 64.6 | Low | 95 Ų | 95 | 89.4 Ų | 89.4 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 176.5 | -66.7 | 166 | 0 | 0 | 0 | 110.8 | A293 T294 R299 M300 M301 | A293-I297 WeakPolarHBondContact O-CG1 3.35Å; A293-I297 PolarHBondContact O-N 3.37Å; T294-I297 PolarHBondContact O-N 3.4Å; I297-R299 VanDerWaalsContact C-N 3.3Å; I297-R299 PolarHBondContact O-N 2.98Å; I297-M300 HydrophobicContact CG1-CE 4.41Å; I297-M300 PolarHBondContact O-N 3.46Å; I297-M300 VanDerWaalsContact O-N 3.17Å; I297-M301 HydrophobicContact CG2-CG 4.44Å; I297-M301 HydrophobicContact CG2-SD 3.99Å; I297-M301 WeakPolarHBondContact O-CG 3.49Å; I297-M301 PolarHBondContact O-N 3.37Å |
| 298 | L | 73.6 | Confident | 62.6 | Low | 44 Ų | 44 | 96.7 Ų | 96.7 | 23% | 0.23 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | 178 | -72.2 | 171.5 | 0 | 0 | 0 | 111.8 | T229 L230 T294 L295 M301 N302 | T229-L298 HydrophobicContact CG2-CB 4.02Å; L230-L298 HydrophobicContact CD2-CD1 4.1Å; T294-L298 HydrophobicContact CG2-CD1 4.3Å; T294-L298 WeakPolarHBondContact O-CG 3.29Å; T294-L298 PolarHBondContact O-N 3.27Å; L295-L298 PolarHBondContact O-N 2.95Å; L298-M301 PolarHBondContact O-N 3.27Å; L298-N302 WeakPolarHBondContact O-CB 3.21Å; L298-N302 PolarHBondContact O-N 3.47Å |
| 299 | R | 71.9 | Confident | 62.2 | Low | 156 Ų | 156 | 97.3 Ų | 97.3 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -44.6 | 175.4 | -169.4 | 176.3 | 178.6 | -175.6 | -0.1 | 111.8 | T229 L295 G296 I297 M301 N302 W303 | T229-R299 HydrophobicContact CG2-CB 4.09Å; L295-R299 WeakPolarHBondContact O-CB 3.35Å; L295-R299 PolarHBondContact O-N 2.94Å; G296-R299 PolarHBondContact O-N 2.67Å; I297-R299 VanDerWaalsContact C-N 3.3Å; I297-R299 PolarHBondContact O-N 2.98Å; R299-M301 VanDerWaalsContact C-N 3.34Å; R299-M301 PolarHBondContact O-N 2.92Å; R299-N302 PolarHBondContact O-N 2.9Å; R299-W303 WeakPolarHBondContact O-CB 3.44Å; R299-W303 PolarHBondContact O-N 3.45Å |
| 300 | M | 67.2 | Low | 61.8 | Low | 123 Ų | 123 | 98.9 Ų | 98.9 | 61% | 0.606 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | 176 | -74.1 | -173.7 | -83.7 | 0 | 0 | 112.4 | G296 I297 R304 | G296-M300 WeakPolarHBondContact O-CG 3.26Å; G296-M300 PolarHBondContact O-N 2.55Å; I297-M300 HydrophobicContact CG1-CE 4.41Å; I297-M300 PolarHBondContact O-N 3.46Å; I297-M300 VanDerWaalsContact O-N 3.17Å; M300-R304 PolarHBondContact O-N 3.15Å |
| 301 | M | 70.1 | Confident | 61.4 | Low | 115 Ų | 115 | 99.3 Ų | 99.3 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | 176.6 | -69.9 | 176.8 | 68.7 | 0 | 0 | 112.3 | I297 L298 R299 | I297-M301 HydrophobicContact CG2-CG 4.44Å; I297-M301 HydrophobicContact CG2-SD 3.99Å; I297-M301 WeakPolarHBondContact O-CG 3.49Å; I297-M301 PolarHBondContact O-N 3.37Å; L298-M301 PolarHBondContact O-N 3.27Å; R299-M301 VanDerWaalsContact C-N 3.34Å; R299-M301 PolarHBondContact O-N 2.92Å |
| 302 | N | 60.5 | Low | 60.7 | Low | 58 Ų | 58 | 103.4 Ų | 103.4 | 31% | 0.31 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.6 | -36.9 | 177.4 | -76.3 | -15.5 | 0 | 0 | 0 | 112.3 | T229 L298 R299 R304 K305 G306 | T229-N302 PolarHBondContact O-ND2 2.98Å; L298-N302 WeakPolarHBondContact O-CB 3.21Å; L298-N302 PolarHBondContact O-N 3.47Å; R299-N302 PolarHBondContact O-N 2.9Å; N302-R304 PolarHBondContact O-N 3.15Å; N302-K305 PolarHBondContact O-N 3.31Å; N302-G306 PolarHBondContact O-N 2.93Å |
| 303 | W | 51.8 | Low | 60.2 | Low | 177 Ų | 177 | 106.8 Ų | 106.8 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.9 | -38.4 | 174.1 | -178.9 | 68.2 | 0 | 0 | 0 | 112.4 | R299 K305 G306 | R299-W303 WeakPolarHBondContact O-CB 3.44Å; R299-W303 PolarHBondContact O-N 3.45Å; W303-K305 VanDerWaalsContact C-N 3.25Å; W303-K305 PolarHBondContact O-N 2.86Å; W303-G306 PolarHBondContact O-N 3.3Å |
| 304 | R | 46.2 | Very low | 59.5 | Low | 192 Ų | 192 | 110.1 Ų | 110.1 | 73% | 0.725 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.7 | 176.5 | -74.1 | -177.5 | 170.8 | -175.7 | -1.8 | 114.5 | M300 N302 | M300-R304 PolarHBondContact O-N 3.15Å; N302-R304 PolarHBondContact O-N 3.15Å |
| 305 | K | 50.2 | Low | 58.4 | Low | 165 Ų | 165 | 113.2 Ų | 113.2 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -20.8 | 176.6 | -74.8 | -176.5 | 176.9 | 176.9 | 0 | 113.6 | N302 W303 | N302-K305 PolarHBondContact O-N 3.31Å; W303-K305 VanDerWaalsContact C-N 3.25Å; W303-K305 PolarHBondContact O-N 2.86Å |
| 306 | G | 39.5 | Very low | 57.1 | Low | 63 Ų | 63 | 121.6 Ų | 121.6 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -7.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N302 W303 | N302-G306 PolarHBondContact O-N 2.93Å; W303-G306 PolarHBondContact O-N 3.3Å |
| 307 | N | 37 | Very low | 56.1 | Low | 121 Ų | 121 | 129.8 Ų | 129.8 | 65% | 0.647 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 25.7 | 179.5 | -81.2 | -8.4 | 0 | 0 | 0 | 113.2 | ||
| 308 | K | 33.3 | Very low | 54.7 | Low | 248 Ų | 248 | 132.9 Ų | 132.9 | 100% | 1.078 | 62% | 0.617 | S | S | * | * | trans | -128.2 | 0 | 169.6 | -79.4 | -170.2 | 175.4 | -172.5 | 0 | 109 |
Retrieved 308 of 308 residues in 345.3 ms
(Link to these results)