| 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 | 48.9 | Very low | 91 | Very high | 244 Ų | 244 | 64.5 Ų | 64.5 | 100% | 1.202 | 31% | 0.313 | S | S | * | . | 0 | 132.3 | 0 | -73.5 | 178.9 | -167.1 | 0 | 0 | 106.5 | |||||
| 2 | D | 78.1 | Confident | 91.6 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 87% | 0.872 | 29% | 0.294 | S | S | * | . | trans | -61.2 | 146.7 | 171.9 | -68.5 | -29 | 0 | 0 | 0 | 109.6 | ||||
| 3 | K | 88.9 | Confident | 92.1 | Very high | 133 Ų | 133 | 56.6 Ų | 56.6 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | trans | -67.5 | 142.5 | 177.4 | -69.2 | -176.9 | 178.4 | -179.1 | 0 | 109.3 | R5 E28 | K3-R5 PolarHBondContact O-N 3.18Å; K3-R5 VanDerWaalsContact O-N 3.12Å; K3-E28 HydrophobicContact CB-CB 4.06Å; K3-E28 HydrophobicContact CD-CB 4.49Å | ||
| 4 | M | 95.8 | Very high | 92.6 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 28% | 0.281 | 27% | 0.266 | S | S | . | . | trans | -58.8 | 112.3 | 170.9 | -175.9 | 72.2 | 78.4 | 0 | 0 | 109.2 | V6 F27 E28 Q144 L395 | M4-V6 HydrophobicContact CG-CG2 4.13Å; M4-F27 HydrophobicContact CB-CB 4.35Å; M4-F27 HydrophobicContact CB-CD1 3.55Å; M4-F27 HydrophobicContact CB-CE1 3.94Å; M4-F27 HydrophobicContact CB-CG 3.99Å; M4-F27 HydrophobicContact CG-CD1 4.13Å; M4-F27 HydrophobicContact CG-CE1 4.26Å; M4-F27 HydrophobicContact CG-CG 4.26Å; M4-F27 WeakPolarHBondContact O-CB 3.38Å; M4-E28 PolarHBondContact O-N 2.94Å; M4-Q144 HydrophobicContact CG-CB 4.36Å; M4-Q144 HydrophobicContact SD-CB 3.18Å; M4-Q144 WeakPolarHBondContact SD-CB 3.33Å; M4-Q144 HydrophobicContact SD-CG 3.76Å; M4-L395 HydrophobicContact CE-CD1 4.18Å; M4-L395 HydrophobicContact CE-CG 4.1Å; M4-L395 HydrophobicContact CG-CD2 3.93Å; M4-L395 HydrophobicContact CG-CG 4.22Å; M4-L395 HydrophobicContact SD-CD1 4.36Å; M4-L395 HydrophobicContact SD-CD2 4.47Å; M4-L395 HydrophobicContact SD-CG 4.35Å | ||
| 5 | R | 98.3 | Very high | 93 | Very high | 95 Ų | 95 | 49.9 Ų | 49.9 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.1 | 176.8 | -61 | -172.6 | -62.8 | -159.6 | -0.9 | 109.7 | K3 E28 V142 V143 Q144 A145 | K3-R5 PolarHBondContact O-N 3.18Å; K3-R5 VanDerWaalsContact O-N 3.12Å; R5-E28 WeakPolarHBondContact CA-O 3.47Å; R5-E28 HydrophobicContact CG-CB 4.28Å; R5-V142 PolarHBondContact NH2-O 2.96Å; R5-V143 HydrophobicContact CB-CB 4.5Å; R5-V143 HydrophobicContact CB-CG1 4.26Å; R5-Q144 VanDerWaalsContact CB-OE1 3.31Å; R5-Q144 PolarHBondContact O-N 3.17Å; R5-Q144 VanDerWaalsContact O-N 3.08Å; R5-Q144 PolarHBondContact O-OE1 3.13Å; R5-A145 PolarHBondContact O-N 2.74Å |
| 6 | V | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.2 | -176.7 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | M4 I8 F27 E28 P29 I30 A145 F147 L395 | M4-V6 HydrophobicContact CG-CG2 4.13Å; V6-I8 HydrophobicContact CG1-CG1 4.22Å; V6-F27 HydrophobicContact CG2-CB 4.25Å; V6-F27 HydrophobicContact CG2-CD2 4.17Å; V6-F27 HydrophobicContact CG2-CG 4.49Å; V6-E28 PolarHBondContact N-O 2.93Å; V6-P29 CarbonylContact O-C 3.49Å; V6-P29 WeakPolarHBondContact O-CA 3.27Å; V6-I30 PolarHBondContact O-N 3.38Å; V6-A145 WeakPolarHBondContact CA-O 3.38Å; V6-A145 HydrophobicContact CG1-CB 4.28Å; V6-A145 HydrophobicContact CG2-CB 4.33Å; V6-F147 HydrophobicContact CG1-CD1 3.56Å; V6-F147 HydrophobicContact CG1-CE1 3.71Å; V6-F147 HydrophobicContact CG1-CG 4.04Å; V6-F147 HydrophobicContact CG1-CZ 4.28Å; V6-L395 HydrophobicContact CG2-CD2 3.9Å |
| 7 | A | 98.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 134.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I9 I30 F32 V128 V143 A145 V146 F147 | A7-I9 HydrophobicContact CB-CD1 4.28Å; A7-I30 CarbonylContact C-O 3.47Å; A7-I30 WeakPolarHBondContact CA-O 3.44Å; A7-F32 HydrophobicContact CB-CE2 4.11Å; A7-V128 HydrophobicContact CB-CG2 3.83Å; A7-V143 HydrophobicContact CB-CG1 4.23Å; A7-V143 HydrophobicContact CB-CG2 3.91Å; A7-A145 PolarHBondContact N-O 3.41Å; A7-V146 HydrophobicContact CB-CG2 4.34Å; A7-V146 CarbonylContact O-C 3.59Å; A7-V146 VanDerWaalsContact O-CA 3.3Å; A7-V146 WeakPolarHBondContact O-CA 3.31Å; A7-F147 PolarHBondContact O-N 2.83Å |
| 8 | I | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125 | 177.9 | -62.6 | 164 | 0 | 0 | 0 | 107.7 | V6 A18 V19 P29 I30 C31 F32 F147 C149 | V6-I8 HydrophobicContact CG1-CG1 4.22Å; I8-A18 HydrophobicContact CD1-CB 3.79Å; I8-A18 HydrophobicContact CG1-CB 4.13Å; I8-A18 HydrophobicContact CG2-CB 3.93Å; I8-V19 HydrophobicContact CD1-CB 4.24Å; I8-V19 HydrophobicContact CD1-CG2 3.57Å; I8-P29 HydrophobicContact CD1-CB 3.67Å; I8-I30 PolarHBondContact N-O 3.4Å; I8-C31 HydrophobicContact CB-CB 4.06Å; I8-C31 HydrophobicContact CG2-CB 4.34Å; I8-C31 CarbonylContact O-C 3.52Å; I8-C31 VanDerWaalsContact O-CA 3.29Å; I8-C31 WeakPolarHBondContact O-CA 3.44Å; I8-F32 PolarHBondContact O-N 2.79Å; I8-F147 HydrophobicContact CG1-CB 4.15Å; I8-C149 HydrophobicContact CG2-CB 4.24Å |
| 9 | I | 98.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 105.9 | -174.1 | -41.8 | -42.9 | 0 | 0 | 0 | 110.2 | A7 F32 V111 I114 V146 F147 L148 C149 T150 Y338 | A7-I9 HydrophobicContact CB-CD1 4.28Å; I9-F32 HydrophobicContact CD1-CD2 4.11Å; I9-V111 HydrophobicContact CD1-CB 4.46Å; I9-V111 HydrophobicContact CD1-CG1 4.4Å; I9-V111 HydrophobicContact CD1-CG2 3.7Å; I9-V111 HydrophobicContact CG1-CG2 4.47Å; I9-V111 HydrophobicContact CG2-CB 4.1Å; I9-V111 HydrophobicContact CG2-CG2 3.96Å; I9-I114 HydrophobicContact CD1-CD1 4.26Å; I9-I114 HydrophobicContact CG1-CD1 3.98Å; I9-V146 HydrophobicContact CD1-CG1 4.12Å; I9-V146 HydrophobicContact CG1-CG1 3.98Å; I9-F147 PolarHBondContact N-O 2.83Å; I9-L148 HydrophobicContact CG1-CD2 4.16Å; I9-C149 CarbonylContact O-C 3.42Å; I9-C149 VanDerWaalsContact O-CA 3.22Å; I9-C149 WeakPolarHBondContact O-CA 3.39Å; I9-C149 VanDerWaalsContact O-CB 3.23Å; I9-C149 WeakPolarHBondContact O-CB 3.4Å; I9-C149 PolarHBondContact O-N 3.36Å; I9-T150 HydrophobicContact CB-CG2 4.06Å; I9-T150 HydrophobicContact CG2-CG2 3.58Å; I9-T150 WeakPolarHBondContact O-CG2 3.48Å; I9-T150 PolarHBondContact O-N 3.18Å; I9-Y338 HydrophobicContact CG2-CE1 4.23Å |
| 10 | G | 98.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | trans | 98.7 | 128.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G12 G15 F32 | G10-G12 VanDerWaalsContact C-N 3.34Å; G10-G12 PolarHBondContact O-N 3.43Å; G10-G15 VanDerWaalsContact O-CA 3.26Å; G10-G15 WeakPolarHBondContact O-CA 3.48Å; G10-F32 WeakPolarHBondContact CA-O 3.23Å; G10-F32 PolarHBondContact N-O 2.99Å | ||
| 11 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -96.1 | 33.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L16 E33 I38 G39 I105 | A11-L16 HydrophobicContact CB-CD2 4.47Å; A11-E33 WeakPolarHBondContact CA-OE2 3.41Å; A11-E33 HydrophobicContact CB-CB 3.68Å; A11-E33 HydrophobicContact CB-CG 3.88Å; A11-E33 PolarHBondContact N-OE2 2.96Å; A11-I38 HydrophobicContact CB-CG2 4.49Å; A11-G39 PolarHBondContact O-N 3.24Å; A11-I105 HydrophobicContact CB-CD1 4.09Å; A11-I105 HydrophobicContact CB-CG2 4.05Å | ||
| 12 | G | 97.9 | Very high | 97 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 8% | 0.082 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -72.3 | -176.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G10 S14 G15 L16 | G10-G12 VanDerWaalsContact C-N 3.34Å; G10-G12 PolarHBondContact O-N 3.43Å; G12-S14 PolarHBondContact O-N 2.98Å; G12-S14 VanDerWaalsContact O-N 3.11Å; G12-G15 PolarHBondContact O-N 2.92Å; G12-L16 WeakPolarHBondContact O-CG 3.28Å; G12-L16 PolarHBondContact O-N 3.36Å |
| 13 | P | 98.1 | Very high | 98 | Very high | 18 Ų | 18 | 19.4 Ų | 19.4 | 12% | 0.117 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -53.5 | -36.3 | -179.1 | -26.3 | 35 | 0 | 0 | 0 | 114 | T17 F70 F92 M381 | P13-T17 WeakPolarHBondContact O-CG2 3.5Å; P13-T17 PolarHBondContact O-N 3.44Å; P13-T17 PolarHBondContact O-OG1 3.35Å; P13-F70 HydrophobicContact CB-CZ 4.26Å; P13-F92 HydrophobicContact CB-CE1 4.37Å; P13-F92 HydrophobicContact CB-CZ 4.12Å; P13-F92 HydrophobicContact CG-CE1 4.22Å; P13-F92 HydrophobicContact CG-CE2 3.81Å; P13-F92 HydrophobicContact CG-CZ 3.5Å; P13-M381 HydrophobicContact CB-CG 4.01Å; P13-M381 HydrophobicContact CG-CG 4.47Å |
| 14 | S | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 15.7 Ų | 15.7 | 9% | 0.091 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 172.4 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | G12 T17 A18 I371 S384 | G12-S14 PolarHBondContact O-N 2.98Å; G12-S14 VanDerWaalsContact O-N 3.11Å; S14-T17 PolarHBondContact O-N 3.44Å; S14-T17 PolarHBondContact O-OG1 3.36Å; S14-A18 WeakPolarHBondContact O-CB 3.43Å; S14-A18 PolarHBondContact O-N 2.86Å; S14-I371 PolarHBondContact OG-O 3.16Å; S14-S384 WeakPolarHBondContact OG-CB 3.31Å; S14-S384 PolarHBondContact OG-OG 3.43Å |
| 15 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G10 G12 T17 A18 V19 | G10-G15 VanDerWaalsContact O-CA 3.26Å; G10-G15 WeakPolarHBondContact O-CA 3.48Å; G12-G15 PolarHBondContact O-N 2.92Å; G15-T17 VanDerWaalsContact C-N 3.3Å; G15-T17 PolarHBondContact O-N 3.11Å; G15-A18 WeakPolarHBondContact O-CB 3.33Å; G15-A18 PolarHBondContact O-N 3.38Å; G15-V19 WeakPolarHBondContact O-CG2 3.38Å; G15-V19 PolarHBondContact O-N 3.3Å |
| 16 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 176.7 | -61.5 | -176.9 | 0 | 0 | 0 | 111.3 | A11 G12 K20 I38 F92 Y95 V96 I101 I105 | A11-L16 HydrophobicContact CB-CD2 4.47Å; G12-L16 WeakPolarHBondContact O-CG 3.28Å; G12-L16 PolarHBondContact O-N 3.36Å; L16-K20 PolarHBondContact O-N 3.08Å; L16-I38 HydrophobicContact CD1-CD1 4.29Å; L16-I38 HydrophobicContact CD2-CB 4.22Å; L16-I38 HydrophobicContact CD2-CG2 4.12Å; L16-F92 HydrophobicContact CD1-CB 4.04Å; L16-F92 HydrophobicContact CD1-CG 4.27Å; L16-Y95 HydrophobicContact CB-CE1 4.42Å; L16-V96 HydrophobicContact CD1-CG2 3.96Å; L16-V96 HydrophobicContact CD2-CG2 3.69Å; L16-V96 HydrophobicContact CG-CG2 4.33Å; L16-I101 HydrophobicContact CD2-CG2 4.07Å; L16-I105 HydrophobicContact CD2-CD1 3.92Å |
| 17 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70.9 | -38.4 | 174.9 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | P13 S14 G15 V19 K20 I21 F70 E385 | P13-T17 WeakPolarHBondContact O-CG2 3.5Å; P13-T17 PolarHBondContact O-N 3.44Å; P13-T17 PolarHBondContact O-OG1 3.35Å; S14-T17 PolarHBondContact O-N 3.44Å; S14-T17 PolarHBondContact O-OG1 3.36Å; G15-T17 VanDerWaalsContact C-N 3.3Å; G15-T17 PolarHBondContact O-N 3.11Å; T17-V19 PolarHBondContact O-N 2.75Å; T17-K20 PolarHBondContact O-N 3.48Å; T17-I21 VanDerWaalsContact O-CG1 3.28Å; T17-I21 WeakPolarHBondContact O-CG1 2.99Å; T17-I21 PolarHBondContact O-N 3.06Å; T17-F70 HydrophobicContact CG2-CD1 3.3Å; T17-F70 HydrophobicContact CG2-CE1 3.19Å; T17-F70 HydrophobicContact CG2-CE2 4.44Å; T17-F70 HydrophobicContact CG2-CG 4.01Å; T17-F70 HydrophobicContact CG2-CZ 3.81Å; T17-E385 HydrophobicContact CG2-CB 3.85Å; T17-E385 HydrophobicContact CG2-CG 3.94Å |
| 18 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I8 S14 G15 I21 C22 F147 C388 | I8-A18 HydrophobicContact CD1-CB 3.79Å; I8-A18 HydrophobicContact CG1-CB 4.13Å; I8-A18 HydrophobicContact CG2-CB 3.93Å; S14-A18 WeakPolarHBondContact O-CB 3.43Å; S14-A18 PolarHBondContact O-N 2.86Å; G15-A18 WeakPolarHBondContact O-CB 3.33Å; G15-A18 PolarHBondContact O-N 3.38Å; A18-I21 PolarHBondContact O-N 3.38Å; A18-C22 WeakPolarHBondContact O-CB 3.42Å; A18-C22 PolarHBondContact O-N 2.78Å; A18-C22 PolarHBondContact O-SG 2.73Å; A18-F147 HydrophobicContact CB-CD2 3.94Å; A18-C388 WeakPolarHBondContact CA-SG 3.41Å; A18-C388 PolarHBondContact N-SG 3.37Å; A18-C388 VanDerWaalsContact N-SG 3.45Å |
| 19 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.2 | -52.1 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | I8 G15 T17 I21 C22 L23 P29 C31 I101 H104 | I8-V19 HydrophobicContact CD1-CB 4.24Å; I8-V19 HydrophobicContact CD1-CG2 3.57Å; G15-V19 WeakPolarHBondContact O-CG2 3.38Å; G15-V19 PolarHBondContact O-N 3.3Å; T17-V19 PolarHBondContact O-N 2.75Å; V19-I21 PolarHBondContact O-N 2.82Å; V19-C22 WeakPolarHBondContact O-CB 3.34Å; V19-C22 PolarHBondContact O-N 3.13Å; V19-L23 HydrophobicContact CG1-CD1 4.17Å; V19-L23 WeakPolarHBondContact O-CG 3.49Å; V19-L23 PolarHBondContact O-N 3.22Å; V19-P29 HydrophobicContact CG1-CB 4.33Å; V19-P29 HydrophobicContact CG1-CG 3.91Å; V19-P29 HydrophobicContact CG2-CB 4.43Å; V19-C31 HydrophobicContact CG2-CB 3.64Å; V19-I101 HydrophobicContact CB-CG2 3.96Å; V19-I101 HydrophobicContact CG1-CB 4.3Å; V19-I101 HydrophobicContact CG1-CG1 4.28Å; V19-I101 HydrophobicContact CG1-CG2 3.81Å; V19-I101 HydrophobicContact CG2-CG2 4.37Å; V19-H104 HydrophobicContact CG1-CB 3.75Å |
| 20 | K | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 18.5 Ų | 18.5 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.8 | -47.2 | -178.1 | -170 | -85.3 | -168.4 | -151.9 | 0 | 112.1 | L16 T17 L23 D24 D72 Y95 F99 I101 | L16-K20 PolarHBondContact O-N 3.08Å; T17-K20 PolarHBondContact O-N 3.48Å; K20-L23 WeakPolarHBondContact O-CB 3.24Å; K20-L23 PolarHBondContact O-N 3.09Å; K20-D24 IonicContact NZ-OD1 2.75Å; K20-D24 PolarHBondContact NZ-OD1 3.44Å; K20-D24 IonicContact NZ-OD2 3.33Å; K20-D24 PolarHBondContact NZ-OD2 3.32Å; K20-D24 PolarHBondContact O-N 2.53Å; K20-D72 WeakPolarHBondContact CE-OD2 3.11Å; K20-D72 IonicContact NZ-OD2 3.06Å; K20-D72 PolarHBondContact NZ-OD2 2.9Å; K20-Y95 HydrophobicContact CB-CE1 4.22Å; K20-Y95 VanDerWaalsContact CB-OH 3.26Å; K20-Y95 WeakPolarHBondContact CB-OH 3.14Å; K20-Y95 WeakPolarHBondContact CD-OH 3.39Å; K20-Y95 HydrophobicContact CG-CE1 4.46Å; K20-Y95 WeakPolarHBondContact CG-OH 3.22Å; K20-F99 HydrophobicContact CG-CB 3.96Å; K20-F99 HydrophobicContact CG-CD1 4.17Å; K20-F99 HydrophobicContact CG-CD2 4.18Å; K20-F99 HydrophobicContact CG-CG 3.84Å; K20-I101 HydrophobicContact CB-CD1 3.89Å; K20-I101 HydrophobicContact CB-CG1 4.34Å; K20-I101 HydrophobicContact CG-CD1 4.42Å |
| 21 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.4 | -36.7 | -179.5 | -59.5 | -52.8 | 0 | 0 | 0 | 111.3 | T17 A18 V19 L23 D24 Y25 E385 C388 R389 C392 | T17-I21 VanDerWaalsContact O-CG1 3.28Å; T17-I21 WeakPolarHBondContact O-CG1 2.99Å; T17-I21 PolarHBondContact O-N 3.06Å; A18-I21 PolarHBondContact O-N 3.38Å; V19-I21 PolarHBondContact O-N 2.82Å; I21-L23 PolarHBondContact O-N 3.11Å; I21-D24 WeakPolarHBondContact CD1-OD2 3.31Å; I21-D24 WeakPolarHBondContact O-CB 3.46Å; I21-D24 PolarHBondContact O-N 2.73Å; I21-D24 VanDerWaalsContact O-N 3.12Å; I21-Y25 HydrophobicContact CG2-CD2 3.92Å; I21-Y25 HydrophobicContact CG2-CE2 3.94Å; I21-Y25 WeakPolarHBondContact O-CD2 3.18Å; I21-Y25 PolarHBondContact O-N 3.22Å; I21-Y25 VanDerWaalsContact O-N 3.16Å; I21-E385 HydrophobicContact CD1-CG 4.47Å; I21-C388 HydrophobicContact CB-CB 4.1Å; I21-C388 HydrophobicContact CG1-CB 3.89Å; I21-C388 HydrophobicContact CG2-CB 4.48Å; I21-R389 HydrophobicContact CD1-CG 3.67Å; I21-R389 HydrophobicContact CG1-CG 3.96Å; I21-R389 HydrophobicContact CG2-CG 4.14Å; I21-C392 HydrophobicContact CG2-CB 3.8Å |
| 22 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.2 | -42.4 | 171.3 | -74.2 | 0 | 0 | 0 | 0 | 111.4 | A18 V19 Y25 G26 F27 P29 | A18-C22 WeakPolarHBondContact O-CB 3.42Å; A18-C22 PolarHBondContact O-N 2.78Å; A18-C22 PolarHBondContact O-SG 2.73Å; V19-C22 WeakPolarHBondContact O-CB 3.34Å; V19-C22 PolarHBondContact O-N 3.13Å; C22-Y25 CarbonylContact O-C 3.02Å; C22-Y25 PolarHBondContact O-N 2.8Å; C22-G26 PolarHBondContact O-N 2.92Å; C22-G26 VanDerWaalsContact O-N 3.15Å; C22-F27 HydrophobicContact CB-CB 4.05Å; C22-F27 HydrophobicContact CB-CD2 4.4Å; C22-F27 WeakPolarHBondContact O-CB 3.26Å; C22-F27 PolarHBondContact O-N 3.14Å; C22-P29 HydrophobicContact CB-CB 3.81Å; C22-P29 HydrophobicContact CB-CG 3.88Å |
| 23 | L | 98.4 | Very high | 98.5 | Very high | 58 Ų | 58 | 18.9 Ų | 18.9 | 30% | 0.304 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -65 | -39.4 | 175.4 | -62.3 | 173.2 | 0 | 0 | 0 | 112.5 | V19 K20 I21 Y25 G26 P29 | V19-L23 HydrophobicContact CG1-CD1 4.17Å; V19-L23 WeakPolarHBondContact O-CG 3.49Å; V19-L23 PolarHBondContact O-N 3.22Å; K20-L23 WeakPolarHBondContact O-CB 3.24Å; K20-L23 PolarHBondContact O-N 3.09Å; I21-L23 PolarHBondContact O-N 3.11Å; L23-Y25 PolarHBondContact O-N 3.39Å; L23-G26 PolarHBondContact O-N 3.39Å; L23-P29 HydrophobicContact CD2-CG 3.9Å; L23-P29 HydrophobicContact CG-CG 4.1Å |
| 24 | D | 98 | Very high | 98.4 | Very high | 54 Ų | 54 | 21.5 Ų | 21.5 | 29% | 0.289 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -58.2 | -32.4 | 174.9 | -73.7 | -16.3 | 0 | 0 | 0 | 112.2 | K20 I21 R476 H481 | K20-D24 IonicContact NZ-OD1 2.75Å; K20-D24 PolarHBondContact NZ-OD1 3.44Å; K20-D24 IonicContact NZ-OD2 3.33Å; K20-D24 PolarHBondContact NZ-OD2 3.32Å; K20-D24 PolarHBondContact O-N 2.53Å; I21-D24 WeakPolarHBondContact CD1-OD2 3.31Å; I21-D24 WeakPolarHBondContact O-CB 3.46Å; I21-D24 PolarHBondContact O-N 2.73Å; I21-D24 VanDerWaalsContact O-N 3.12Å; D24-R476 IonicContact OD2-NH1 2.74Å; D24-H481 PolarHBondContact O-CE1 3.46Å; D24-H481 VanDerWaalsContact O-CE1 3.22Å |
| 25 | Y | 97.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 20.9 Ų | 20.9 | 13% | 0.125 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0 | 177.2 | -80.8 | -90 | 0 | 0 | 0 | 113.9 | I21 C22 L23 F27 C392 H393 A396 F398 H481 | I21-Y25 HydrophobicContact CG2-CD2 3.92Å; I21-Y25 HydrophobicContact CG2-CE2 3.94Å; I21-Y25 WeakPolarHBondContact O-CD2 3.18Å; I21-Y25 PolarHBondContact O-N 3.22Å; I21-Y25 VanDerWaalsContact O-N 3.16Å; C22-Y25 CarbonylContact O-C 3.02Å; C22-Y25 PolarHBondContact O-N 2.8Å; L23-Y25 PolarHBondContact O-N 3.39Å; Y25-F27 VanDerWaalsContact C-N 3.32Å; Y25-F27 PolarHBondContact O-N 2.78Å; Y25-C392 HydrophobicContact CD1-CB 4.46Å; Y25-C392 HydrophobicContact CD2-CB 3.27Å; Y25-C392 HydrophobicContact CE2-CB 3.53Å; Y25-C392 HydrophobicContact CG-CB 3.79Å; Y25-H393 HydrophobicContact CE1-CB 4.49Å; Y25-H393 WeakPolarHBondContact OH-CA 3.49Å; Y25-H393 VanDerWaalsContact OH-CB 3.29Å; Y25-H393 WeakPolarHBondContact OH-CB 3.3Å; Y25-H393 PolarHBondContact OH-ND1 2.93Å; Y25-H393 VanDerWaalsContact OH-ND1 3.08Å; Y25-A396 HydrophobicContact CD1-CB 3.7Å; Y25-A396 HydrophobicContact CE1-CB 4.04Å; Y25-F398 HydrophobicContact CD1-CD2 4.38Å; Y25-F398 AromaticContact CD1-CE2 3.95Å; Y25-F398 HydrophobicContact CD1-CE2 3.95Å; Y25-F398 AromaticContact CE1-CD2 3.74Å; Y25-F398 HydrophobicContact CE1-CD2 3.74Å; Y25-F398 AromaticContact CE1-CE2 3.65Å; Y25-F398 HydrophobicContact CE1-CE2 3.65Å; Y25-H481 AromaticContact CD2-NE2 3.43Å; Y25-H481 WeakPolarHBondContact CD2-NE2 3.5Å; Y25-H481 AromaticContact CE1-NE2 3.67Å; Y25-H481 AromaticContact CE2-CD2 3.56Å; Y25-H481 AromaticContact CE2-NE2 3.09Å; Y25-H481 WeakPolarHBondContact CE2-NE2 3.5Å; Y25-H481 AromaticContact CG-NE2 3.89Å; Y25-H481 AromaticContact CZ-CD2 3.83Å; Y25-H481 AromaticContact CZ-NE2 3.2Å |
| 26 | G | 97.5 | Very high | 98.1 | Very high | 42 Ų | 42 | 25.8 Ų | 25.8 | 43% | 0.433 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 14.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | C22 L23 | C22-G26 PolarHBondContact O-N 2.92Å; C22-G26 VanDerWaalsContact O-N 3.15Å; L23-G26 PolarHBondContact O-N 3.39Å |
| 27 | F | 98.4 | Very high | 98 | Very high | 21 Ų | 21 | 27.9 Ų | 27.9 | 9% | 0.092 | 15% | 0.146 | C | C | . | . | trans | -74.5 | 168.4 | 174.3 | -57.6 | -19.8 | 0 | 0 | 0 | 111.5 | M4 V6 C22 Y25 P29 C392 L395 A396 | M4-F27 HydrophobicContact CB-CB 4.35Å; M4-F27 HydrophobicContact CB-CD1 3.55Å; M4-F27 HydrophobicContact CB-CE1 3.94Å; M4-F27 HydrophobicContact CB-CG 3.99Å; M4-F27 HydrophobicContact CG-CD1 4.13Å; M4-F27 HydrophobicContact CG-CE1 4.26Å; M4-F27 HydrophobicContact CG-CG 4.26Å; M4-F27 WeakPolarHBondContact O-CB 3.38Å; V6-F27 HydrophobicContact CG2-CB 4.25Å; V6-F27 HydrophobicContact CG2-CD2 4.17Å; V6-F27 HydrophobicContact CG2-CG 4.49Å; C22-F27 HydrophobicContact CB-CB 4.05Å; C22-F27 HydrophobicContact CB-CD2 4.4Å; C22-F27 WeakPolarHBondContact O-CB 3.26Å; C22-F27 PolarHBondContact O-N 3.14Å; Y25-F27 VanDerWaalsContact C-N 3.32Å; Y25-F27 PolarHBondContact O-N 2.78Å; F27-P29 WeakPolarHBondContact O-CD 3.28Å; F27-C392 HydrophobicContact CD2-CB 4.48Å; F27-C392 HydrophobicContact CE2-CB 3.91Å; F27-L395 HydrophobicContact CD2-CD2 4.22Å; F27-L395 HydrophobicContact CE2-CB 4.07Å; F27-L395 HydrophobicContact CE2-CD2 3.77Å; F27-L395 HydrophobicContact CE2-CG 4.11Å; F27-L395 HydrophobicContact CZ-CB 4.22Å; F27-L395 HydrophobicContact CZ-CD2 4.33Å; F27-L395 HydrophobicContact CZ-CG 4.23Å; F27-A396 HydrophobicContact CE1-CB 4.36Å; F27-A396 HydrophobicContact CZ-CB 3.82Å | ||
| 28 | E | 98.3 | Very high | 97.9 | Very high | 86 Ų | 86 | 28.2 Ų | 28.2 | 40% | 0.402 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 90.3 | 176 | -173.7 | 177.3 | 168.3 | 0 | 0 | 110 | K3 M4 R5 V6 | K3-E28 HydrophobicContact CB-CB 4.06Å; K3-E28 HydrophobicContact CD-CB 4.49Å; M4-E28 PolarHBondContact O-N 2.94Å; R5-E28 WeakPolarHBondContact CA-O 3.47Å; R5-E28 HydrophobicContact CG-CB 4.28Å; V6-E28 PolarHBondContact N-O 2.93Å |
| 29 | P | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.8 | 178.4 | 30.3 | -33.6 | 0 | 0 | 0 | 112.1 | V6 I8 V19 C22 L23 F27 H104 | V6-P29 CarbonylContact O-C 3.49Å; V6-P29 WeakPolarHBondContact O-CA 3.27Å; I8-P29 HydrophobicContact CD1-CB 3.67Å; V19-P29 HydrophobicContact CG1-CB 4.33Å; V19-P29 HydrophobicContact CG1-CG 3.91Å; V19-P29 HydrophobicContact CG2-CB 4.43Å; C22-P29 HydrophobicContact CB-CB 3.81Å; C22-P29 HydrophobicContact CB-CG 3.88Å; L23-P29 HydrophobicContact CD2-CG 3.9Å; L23-P29 HydrophobicContact CG-CG 4.1Å; F27-P29 WeakPolarHBondContact O-CD 3.28Å; P29-H104 HydrophobicContact CG-CB 4.38Å; P29-H104 PolarHBondContact O-ND1 3.11Å |
| 30 | I | 98.7 | Very high | 97.7 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 19% | 0.19 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 110.8 | 166.1 | -61 | 158.4 | 0 | 0 | 0 | 107.6 | V6 A7 I8 F32 V106 M141 | V6-I30 PolarHBondContact O-N 3.38Å; A7-I30 CarbonylContact C-O 3.47Å; A7-I30 WeakPolarHBondContact CA-O 3.44Å; I8-I30 PolarHBondContact N-O 3.4Å; I30-F32 HydrophobicContact CB-CZ 4.49Å; I30-F32 HydrophobicContact CG2-CD1 4.5Å; I30-F32 HydrophobicContact CG2-CE1 3.83Å; I30-F32 HydrophobicContact CG2-CE2 3.92Å; I30-F32 HydrophobicContact CG2-CZ 3.51Å; I30-V106 HydrophobicContact CG2-CG2 3.99Å; I30-M141 HydrophobicContact CD1-CE 3.45Å; I30-M141 VanDerWaalsContact CD1-CE 3.45Å; I30-M141 HydrophobicContact CD1-SD 4.13Å |
| 31 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.8 | -177.6 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | I8 V19 H104 I105 V106 | I8-C31 HydrophobicContact CB-CB 4.06Å; I8-C31 HydrophobicContact CG2-CB 4.34Å; I8-C31 CarbonylContact O-C 3.52Å; I8-C31 VanDerWaalsContact O-CA 3.29Å; I8-C31 WeakPolarHBondContact O-CA 3.44Å; V19-C31 HydrophobicContact CG2-CB 3.64Å; C31-H104 WeakPolarHBondContact CB-O 3.44Å; C31-H104 PolarHBondContact N-O 3.15Å; C31-I105 HydrophobicContact CB-CG1 4.05Å; C31-I105 CarbonylContact O-C 3.58Å; C31-I105 VanDerWaalsContact O-CA 3.3Å; C31-I105 WeakPolarHBondContact O-CA 3.15Å; C31-V106 PolarHBondContact O-N 2.76Å |
| 32 | F | 98.7 | Very high | 97.5 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.6 | 176.9 | -60.8 | -72.1 | 0 | 0 | 0 | 110.2 | A7 I8 I9 G10 I30 V106 T109 V111 V128 T130 M141 | A7-F32 HydrophobicContact CB-CE2 4.11Å; I8-F32 PolarHBondContact O-N 2.79Å; I9-F32 HydrophobicContact CD1-CD2 4.11Å; G10-F32 WeakPolarHBondContact CA-O 3.23Å; G10-F32 PolarHBondContact N-O 2.99Å; I30-F32 HydrophobicContact CB-CZ 4.49Å; I30-F32 HydrophobicContact CG2-CD1 4.5Å; I30-F32 HydrophobicContact CG2-CE1 3.83Å; I30-F32 HydrophobicContact CG2-CE2 3.92Å; I30-F32 HydrophobicContact CG2-CZ 3.51Å; F32-V106 HydrophobicContact CD1-CB 4.11Å; F32-V106 HydrophobicContact CD1-CG2 4.43Å; F32-V106 HydrophobicContact CE1-CB 4.4Å; F32-V106 HydrophobicContact CE1-CG2 4.32Å; F32-T109 HydrophobicContact CD1-CG2 3.62Å; F32-T109 HydrophobicContact CE1-CG2 4.23Å; F32-T109 HydrophobicContact CG-CG2 4.48Å; F32-V111 HydrophobicContact CB-CG2 3.66Å; F32-V111 HydrophobicContact CD2-CG2 3.91Å; F32-V111 HydrophobicContact CG-CG2 3.91Å; F32-V128 HydrophobicContact CD2-CG1 4.45Å; F32-V128 HydrophobicContact CE2-CG1 4.09Å; F32-T130 HydrophobicContact CD1-CG2 3.98Å; F32-T130 HydrophobicContact CD2-CG2 4.41Å; F32-T130 HydrophobicContact CE1-CG2 3.83Å; F32-T130 HydrophobicContact CE2-CG2 4.28Å; F32-T130 HydrophobicContact CG-CG2 4.26Å; F32-T130 HydrophobicContact CZ-CG2 3.97Å; F32-M141 HydrophobicContact CE2-SD 4.26Å; F32-M141 HydrophobicContact CZ-SD 3.73Å |
| 33 | E | 98.1 | Very high | 97.4 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.5 | 175.8 | 175 | 52 | -118.8 | 0 | 0 | 109.7 | A11 G35 I105 V106 F107 N108 T109 | A11-E33 WeakPolarHBondContact CA-OE2 3.41Å; A11-E33 HydrophobicContact CB-CB 3.68Å; A11-E33 HydrophobicContact CB-CG 3.88Å; A11-E33 PolarHBondContact N-OE2 2.96Å; E33-G35 PolarHBondContact O-N 3.36Å; E33-G35 WeakPolarHBondContact OE1-CA 3.39Å; E33-G35 PolarHBondContact OE1-N 3.31Å; E33-I105 HydrophobicContact CB-CG2 4.03Å; E33-V106 PolarHBondContact N-O 2.9Å; E33-F107 HydrophobicContact CB-CD1 4Å; E33-F107 HydrophobicContact CB-CE1 4.39Å; E33-F107 HydrophobicContact CG-CD1 3.88Å; E33-F107 HydrophobicContact CG-CE1 4.2Å; E33-F107 CarbonylContact O-C 3.56Å; E33-F107 VanDerWaalsContact O-C 3.29Å; E33-F107 WeakPolarHBondContact O-CA 3.15Å; E33-N108 PolarHBondContact O-N 3.33Å; E33-T109 CarbonylContact C-O 3.57Å; E33-T109 VanDerWaalsContact C-O 3.27Å; E33-T109 PolarHBondContact O-N 2.91Å |
| 34 | R | 95.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 33.5 Ų | 33.5 | 28% | 0.279 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -65.1 | -27.1 | 176.6 | 60.7 | -173.5 | -77 | -167 | -1.5 | 112.8 | E50 G51 R52 T109 L133 | R34-E50 PolarHBondContact NH2-O 3.49Å; R34-G51 PolarHBondContact NH1-O 3.35Å; R34-R52 VanDerWaalsContact NE-CG 3.33Å; R34-T109 WeakPolarHBondContact CA-O 3.27Å; R34-T109 PolarHBondContact N-O 3.2Å; R34-L133 HydrophobicContact CB-CD1 4.13Å; R34-L133 WeakPolarHBondContact O-CD1 3.29Å |
| 35 | G | 94.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -78.4 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E33 R52 F107 N108 | E33-G35 PolarHBondContact O-N 3.36Å; E33-G35 WeakPolarHBondContact OE1-CA 3.39Å; E33-G35 PolarHBondContact OE1-N 3.31Å; G35-R52 VanDerWaalsContact CA-NH2 3.33Å; G35-F107 WeakPolarHBondContact O-CB 2.9Å; G35-N108 PolarHBondContact O-N 3.09Å |
| 36 | D | 95.5 | Very high | 96.9 | Very high | 103 Ų | 103 | 37.3 Ų | 37.3 | 55% | 0.551 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -98.8 | -2.9 | 176.4 | 61.1 | -25.2 | 0 | 0 | 0 | 114 | N108 | D36-N108 WeakPolarHBondContact CA-ND2 3.47Š|
| 37 | D | 97 | Very high | 96.7 | Very high | 44 Ų | 44 | 42 Ų | 42 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -140.1 | 164.4 | 174.8 | -160 | 4 | 0 | 0 | 0 | 110.4 | R93 F107 | D37-R93 IonicContact OD2-CZ 2.66Å; D37-R93 IonicContact OD2-NE 3.37Å; D37-R93 IonicContact OD2-NH2 2.84Å; D37-R93 PolarHBondContact OD2-NH2 3.28Å; D37-F107 VanDerWaalsContact C-CE1 3.49Å |
| 38 | I | 98.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -75 | 175.7 | 176.4 | 63.9 | 173.7 | 0 | 0 | 0 | 111.9 | A11 L16 C43 M89 F92 R93 V96 I105 F107 | A11-I38 HydrophobicContact CB-CG2 4.49Å; L16-I38 HydrophobicContact CD1-CD1 4.29Å; L16-I38 HydrophobicContact CD2-CB 4.22Å; L16-I38 HydrophobicContact CD2-CG2 4.12Å; I38-C43 VanDerWaalsContact O-CB 3.31Å; I38-C43 WeakPolarHBondContact O-CB 3.34Å; I38-M89 HydrophobicContact CG1-CE 4.18Å; I38-M89 VanDerWaalsContact O-CE 3.28Å; I38-M89 WeakPolarHBondContact O-CE 3.43Å; I38-F92 HydrophobicContact CD1-CB 4.23Å; I38-R93 HydrophobicContact CD1-CG 4.04Å; I38-V96 HydrophobicContact CD1-CB 4.2Å; I38-V96 HydrophobicContact CD1-CG2 3.65Å; I38-I105 HydrophobicContact CG2-CD1 3.64Å; I38-F107 HydrophobicContact CG2-CE1 3.83Å; I38-F107 HydrophobicContact CG2-CZ 3.64Å |
| 39 | G | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 101.6 | -12.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A11 L41 W42 | A11-G39 PolarHBondContact O-N 3.24Å; G39-L41 PolarHBondContact O-N 2.97Å; G39-W42 PolarHBondContact O-N 2.97Å | ||
| 40 | G | 95.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 21% | 0.206 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | 53.6 | -123.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W42 C43 | G40-W42 PolarHBondContact O-N 3.08Å; G40-C43 WeakPolarHBondContact O-CB 3.22Å; G40-C43 PolarHBondContact O-N 2.86Å |
| 41 | L | 96 | Very high | 94.9 | Very high | 54 Ų | 54 | 51 Ų | 51 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -48.4 | -37.2 | 177.4 | 178.6 | 66.2 | 0 | 0 | 0 | 113.5 | G39 C43 S54 V55 H153 | G39-L41 PolarHBondContact O-N 2.97Å; L41-C43 VanDerWaalsContact C-N 3.32Å; L41-C43 PolarHBondContact O-N 3.1Å; L41-S54 CarbonylContact O-C 3.59Å; L41-S54 WeakPolarHBondContact O-CA 3.42Å; L41-V55 HydrophobicContact CG-CG1 4.18Å; L41-V55 WeakPolarHBondContact O-CG1 3.39Å; L41-V55 PolarHBondContact O-N 3.06Å; L41-H153 HydrophobicContact CD1-CB 4.2Å |
| 42 | W | 97.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -81.4 | -10.5 | -174.5 | -68.1 | 95.8 | 0 | 0 | 0 | 114.1 | G39 G40 Y44 V55 T59 I61 N85 L88 M89 F92 M381 | G39-W42 PolarHBondContact O-N 2.97Å; G40-W42 PolarHBondContact O-N 3.08Å; W42-Y44 PolarHBondContact O-N 2.88Å; W42-Y44 VanDerWaalsContact O-N 3.15Å; W42-V55 HydrophobicContact CD2-CG1 4.11Å; W42-V55 HydrophobicContact CE3-CG1 3.76Å; W42-V55 HydrophobicContact CZ3-CG1 4.1Å; W42-T59 HydrophobicContact CH2-CG2 4.49Å; W42-T59 HydrophobicContact CZ3-CG2 4.09Å; W42-I61 HydrophobicContact CH2-CB 3.57Å; W42-I61 HydrophobicContact CH2-CD1 4.09Å; W42-I61 HydrophobicContact CH2-CG1 3.58Å; W42-I61 HydrophobicContact CZ2-CB 4.34Å; W42-I61 HydrophobicContact CZ2-CD1 4Å; W42-I61 HydrophobicContact CZ2-CG1 3.87Å; W42-I61 HydrophobicContact CZ3-CB 4.07Å; W42-I61 HydrophobicContact CZ3-CG1 4.5Å; W42-N85 HydrophobicContact CE3-CB 4.13Å; W42-L88 HydrophobicContact CB-CD2 4.34Å; W42-L88 HydrophobicContact CD2-CD2 3.26Å; W42-L88 HydrophobicContact CE3-CD2 3.36Å; W42-L88 HydrophobicContact CG-CD2 3.71Å; W42-L88 HydrophobicContact CH2-CD2 4.17Å; W42-L88 HydrophobicContact CZ2-CD2 4.08Å; W42-L88 HydrophobicContact CZ3-CD2 3.82Å; W42-M89 HydrophobicContact CB-SD 4.37Å; W42-M89 WeakPolarHBondContact O-CG 3.34Å; W42-F92 HydrophobicContact CB-CE2 3.95Å; W42-F92 HydrophobicContact CG-CE2 4.13Å; W42-M381 HydrophobicContact CZ2-CE 3.78Å; W42-M381 VanDerWaalsContact NE1-CE 3.25Å |
| 43 | C | 96.5 | Very high | 94 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -79.3 | 94.5 | 171 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | I38 G40 L41 N45 M89 | I38-C43 VanDerWaalsContact O-CB 3.31Å; I38-C43 WeakPolarHBondContact O-CB 3.34Å; G40-C43 WeakPolarHBondContact O-CB 3.22Å; G40-C43 PolarHBondContact O-N 2.86Å; L41-C43 VanDerWaalsContact C-N 3.32Å; L41-C43 PolarHBondContact O-N 3.1Å; C43-N45 PolarHBondContact O-N 2.62Å; C43-M89 HydrophobicContact CB-CE 4.19Å; C43-M89 HydrophobicContact CB-SD 4.25Å |
| 44 | Y | 96.7 | Very high | 93.9 | Very high | 50 Ų | 50 | 53.4 Ų | 53.4 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | trans | -56.1 | 126.3 | 176.2 | 173.7 | -97.5 | 0 | 0 | 0 | 110.8 | W42 E46 V55 R57 R179 | W42-Y44 PolarHBondContact O-N 2.88Å; W42-Y44 VanDerWaalsContact O-N 3.15Å; Y44-E46 HydrophobicContact CE1-CB 4.21Å; Y44-V55 WeakPolarHBondContact CD2-O 3.21Å; Y44-R57 HydrophobicContact CD2-CB 4.26Å; Y44-R57 VanDerWaalsContact CE2-CA 3.43Å; Y44-R57 HydrophobicContact CE2-CB 3.6Å; Y44-R57 HydrophobicContact CE2-CG 4.42Å; Y44-R57 VanDerWaalsContact CE2-N 3.28Å; Y44-R57 PolarHBondContact OH-NE 3.38Å; Y44-R57 PolarHBondContact OH-NH2 3.35Å; Y44-R179 HydrophobicContact CE2-CB 4.34Å | ||
| 45 | N | 93.7 | Very high | 93.9 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | trans | -122.9 | 130.4 | 169.8 | -167.4 | -31.3 | 0 | 0 | 0 | 109.5 | C43 Q47 I49 S54 R179 | C43-N45 PolarHBondContact O-N 2.62Å; N45-Q47 VanDerWaalsContact C-N 3.33Å; N45-Q47 PolarHBondContact OD1-N 2.78Å; N45-I49 WeakPolarHBondContact ND2-CD1 3.33Å; N45-S54 PolarHBondContact N-OG 3.47Å; N45-R179 WeakPolarHBondContact O-CD 3.45Å; N45-R179 PolarHBondContact O-NE 2.92Å | ||
| 46 | E | 93.4 | Very high | 94 | Very high | 124 Ų | 124 | 50.9 Ų | 50.9 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -69.4 | -31.3 | 178.3 | -175.4 | 151.4 | -127 | 0 | 0 | 112.6 | Y44 R57 | Y44-E46 HydrophobicContact CE1-CB 4.21Å; E46-R57 IonicContact OE1-NH2 3.53Å; E46-R57 PolarHBondContact OE1-NH2 3.48Å; E46-R57 IonicContact OE2-NH2 2.83Å |
| 47 | Q | 93.7 | Very high | 94.1 | Very high | 142 Ų | 142 | 51.4 Ų | 51.4 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -81.4 | 140 | 174.8 | -65.4 | -179.6 | -10.5 | 0 | 0 | 110.7 | N45 | N45-Q47 VanDerWaalsContact C-N 3.33Å; N45-Q47 PolarHBondContact OD1-N 2.78Å |
| 48 | V | 91.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 44% | 0.436 | 27% | 0.267 | S | S | . | . | trans | -82.5 | 117.6 | 171.2 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | S177 | V48-S177 WeakPolarHBondContact CG2-O 3.22Š| ||
| 49 | I | 91 | Very high | 94 | Very high | 52 Ų | 52 | 52 Ų | 52 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | trans | -115.4 | 120.8 | 178.4 | -56.7 | 170.1 | 0 | 0 | 0 | 107.1 | N45 G51 R52 | N45-I49 WeakPolarHBondContact ND2-CD1 3.33Å; I49-G51 PolarHBondContact O-N 3.35Å; I49-R52 HydrophobicContact CB-CB 4.15Å; I49-R52 HydrophobicContact CB-CG 4.06Å; I49-R52 HydrophobicContact CG2-CB 4.42Å; I49-R52 HydrophobicContact CG2-CG 3.82Å; I49-R52 PolarHBondContact O-N 2.81Å | ||
| 50 | E | 86.5 | Confident | 94.1 | Very high | 183 Ų | 183 | 53.6 Ų | 53.6 | 86% | 0.855 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 136.7 | -177.6 | -170.8 | 170.7 | -174.4 | 0 | 0 | 111.5 | R34 R52 | R34-E50 PolarHBondContact NH2-O 3.49Å; E50-R52 PolarHBondContact O-N 3.47Å |
| 51 | G | 85.9 | Confident | 94.1 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -7.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R34 I49 G154 | R34-G51 PolarHBondContact NH1-O 3.35Å; I49-G51 PolarHBondContact O-N 3.35Å; G51-G154 CarbonylContact C-O 3.52Å; G51-G154 VanDerWaalsContact CA-O 3.32Å; G51-G154 WeakPolarHBondContact CA-O 3.29Å; G51-G154 WeakPolarHBondContact O-CA 3.4Å |
| 52 | R | 89.5 | Confident | 94.2 | Very high | 44 Ų | 44 | 52 Ų | 52 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | trans | -99.3 | 111.6 | 177.1 | -62.4 | -171.3 | 65.7 | -169.6 | -6.1 | 111.4 | R34 G35 I49 E50 S54 H176 | R34-R52 VanDerWaalsContact NE-CG 3.33Å; G35-R52 VanDerWaalsContact CA-NH2 3.33Å; I49-R52 HydrophobicContact CB-CB 4.15Å; I49-R52 HydrophobicContact CB-CG 4.06Å; I49-R52 HydrophobicContact CG2-CB 4.42Å; I49-R52 HydrophobicContact CG2-CG 3.82Å; I49-R52 PolarHBondContact O-N 2.81Å; E50-R52 PolarHBondContact O-N 3.47Å; R52-S54 PolarHBondContact O-N 3.34Å; R52-H176 VanDerWaalsContact C-CE1 3.45Å; R52-H176 PolarHBondContact O-CE1 3.24Å | ||
| 53 | G | 90.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 51 Ų | 51 | 19% | 0.186 | 26% | 0.264 | C | S | . | . | trans | -61 | 136.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | H153 | G53-H153 VanDerWaalsContact CA-O 3.32Å; G53-H153 WeakPolarHBondContact CA-O 3.39Å | ||
| 54 | S | 95.2 | Very high | 94.3 | Very high | 15 Ų | 15 | 50 Ų | 50 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | trans | -139.6 | 141.6 | 168.9 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | L41 N45 R52 | L41-S54 CarbonylContact O-C 3.59Å; L41-S54 WeakPolarHBondContact O-CA 3.42Å; N45-S54 PolarHBondContact N-OG 3.47Å; R52-S54 PolarHBondContact O-N 3.34Å | ||
| 55 | V | 96.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | trans | -61.9 | 164.5 | 162.5 | -71.2 | 0 | 0 | 0 | 0 | 111 | L41 W42 Y44 T59 N85 | L41-V55 HydrophobicContact CG-CG1 4.18Å; L41-V55 WeakPolarHBondContact O-CG1 3.39Å; L41-V55 PolarHBondContact O-N 3.06Å; W42-V55 HydrophobicContact CD2-CG1 4.11Å; W42-V55 HydrophobicContact CE3-CG1 3.76Å; W42-V55 HydrophobicContact CZ3-CG1 4.1Å; Y44-V55 WeakPolarHBondContact CD2-O 3.21Å; V55-T59 HydrophobicContact CB-CG2 4.04Å; V55-T59 HydrophobicContact CG1-CG2 3.84Å; V55-N85 HydrophobicContact CG2-CB 3.84Å | ||
| 56 | M | 96.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | trans | -82.9 | 161.5 | 170.8 | -51.4 | 165.6 | -162.8 | 0 | 0 | 109.1 | S58 T59 N85 Y178 D200 I201 | M56-S58 PolarHBondContact O-N 2.76Å; M56-S58 VanDerWaalsContact O-N 3.16Å; M56-T59 WeakPolarHBondContact CA-OG1 3.29Å; M56-T59 WeakPolarHBondContact CB-OG1 3.28Å; M56-T59 PolarHBondContact N-OG1 3.32Å; M56-T59 WeakPolarHBondContact O-CB 3.23Å; M56-T59 PolarHBondContact O-N 3.46Å; M56-T59 VanDerWaalsContact O-N 3.1Å; M56-T59 PolarHBondContact O-OG1 2.82Å; M56-N85 PolarHBondContact O-ND2 3.25Å; M56-Y178 HydrophobicContact CB-CD1 4.45Å; M56-Y178 HydrophobicContact CE-CD1 4.35Å; M56-Y178 HydrophobicContact CG-CD1 3.82Å; M56-Y178 HydrophobicContact CG-CE1 4.27Å; M56-Y178 HydrophobicContact SD-CD1 3.63Å; M56-Y178 HydrophobicContact SD-CE1 3.88Å; M56-D200 HydrophobicContact SD-CB 4.1Å; M56-I201 HydrophobicContact CE-CD1 3.5Å; M56-I201 VanDerWaalsContact CE-CD1 3.5Å; M56-I201 HydrophobicContact CE-CG1 3.44Å; M56-I201 VanDerWaalsContact CE-CG1 3.44Å; M56-I201 HydrophobicContact SD-CD1 4.17Å; M56-I201 HydrophobicContact SD-CG1 3.52Å; M56-I201 VanDerWaalsContact SD-CG1 3.52Å | ||
| 57 | R | 97.2 | Very high | 94.8 | Very high | 114 Ų | 114 | 39.8 Ų | 39.8 | 43% | 0.43 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -37.3 | -175.6 | -175.5 | 177.8 | -74.4 | -91.6 | 7.7 | 112.3 | Y44 E46 H84 N85 R179 T180 | Y44-R57 HydrophobicContact CD2-CB 4.26Å; Y44-R57 VanDerWaalsContact CE2-CA 3.43Å; Y44-R57 HydrophobicContact CE2-CB 3.6Å; Y44-R57 HydrophobicContact CE2-CG 4.42Å; Y44-R57 VanDerWaalsContact CE2-N 3.28Å; Y44-R57 PolarHBondContact OH-NE 3.38Å; Y44-R57 PolarHBondContact OH-NH2 3.35Å; E46-R57 IonicContact OE1-NH2 3.53Å; E46-R57 PolarHBondContact OE1-NH2 3.48Å; E46-R57 IonicContact OE2-NH2 2.83Å; R57-H84 PolarHBondContact O-CE1 3.1Å; R57-H84 VanDerWaalsContact O-CE1 3.26Å; R57-H84 PolarHBondContact O-NE2 2.89Å; R57-N85 PolarHBondContact O-ND2 2.74Å; R57-R179 WeakPolarHBondContact CB-O 3.35Å; R57-R179 PolarHBondContact N-O 3.03Å; R57-T180 HydrophobicContact CB-CG2 3.93Å |
| 58 | S | 96.4 | Very high | 95 | Very high | 48 Ų | 48 | 33 Ų | 33 | 34% | 0.336 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.7 | -176.8 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | M56 T60 E204 | M56-S58 PolarHBondContact O-N 2.76Å; M56-S58 VanDerWaalsContact O-N 3.16Å; S58-T60 PolarHBondContact O-N 2.97Å; S58-E204 WeakPolarHBondContact CB-OE1 3.42Å; S58-E204 VanDerWaalsContact OG-CD 3.31Å; S58-E204 PolarHBondContact OG-OE1 2.8Å |
| 59 | T | 97.7 | Very high | 95.4 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 9% | 0.092 | 16% | 0.158 | C | C | . | . | trans | -58.7 | 126.4 | -173.6 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | W42 V55 M56 N85 | W42-T59 HydrophobicContact CH2-CG2 4.49Å; W42-T59 HydrophobicContact CZ3-CG2 4.09Å; V55-T59 HydrophobicContact CB-CG2 4.04Å; V55-T59 HydrophobicContact CG1-CG2 3.84Å; M56-T59 WeakPolarHBondContact CA-OG1 3.29Å; M56-T59 WeakPolarHBondContact CB-OG1 3.28Å; M56-T59 PolarHBondContact N-OG1 3.32Å; M56-T59 WeakPolarHBondContact O-CB 3.23Å; M56-T59 PolarHBondContact O-N 3.46Å; M56-T59 VanDerWaalsContact O-N 3.1Å; M56-T59 PolarHBondContact O-OG1 2.82Å; T59-N85 PolarHBondContact O-N 2.82Å; T59-N85 PolarHBondContact O-ND2 3.41Å | ||
| 60 | T | 97.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 27.2 Ų | 27.2 | 20% | 0.202 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -115.4 | 139.8 | 171.4 | -60.7 | 0 | 0 | 0 | 0 | 108.6 | S58 F82 M83 | S58-T60 PolarHBondContact O-N 2.97Å; T60-F82 HydrophobicContact CG2-CB 3.85Å; T60-F82 WeakPolarHBondContact CG2-O 3.39Å; T60-M83 WeakPolarHBondContact CG2-O 3.35Å |
| 61 | I | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | trans | -62.7 | 143.9 | -178.8 | -164.7 | 171.4 | 0 | 0 | 0 | 112.3 | W42 T63 T68 F82 M83 L88 M381 | W42-I61 HydrophobicContact CH2-CB 3.57Å; W42-I61 HydrophobicContact CH2-CD1 4.09Å; W42-I61 HydrophobicContact CH2-CG1 3.58Å; W42-I61 HydrophobicContact CZ2-CB 4.34Å; W42-I61 HydrophobicContact CZ2-CD1 4Å; W42-I61 HydrophobicContact CZ2-CG1 3.87Å; W42-I61 HydrophobicContact CZ3-CB 4.07Å; W42-I61 HydrophobicContact CZ3-CG1 4.5Å; I61-T63 WeakPolarHBondContact CG2-O 3.47Å; I61-T68 HydrophobicContact CD1-CG2 3.55Å; I61-F82 WeakPolarHBondContact O-CD1 3.27Å; I61-M83 HydrophobicContact CG2-CB 4.28Å; I61-M83 WeakPolarHBondContact CG2-O 3.21Å; I61-M83 PolarHBondContact N-O 2.9Å; I61-L88 HydrophobicContact CD1-CD2 4.21Å; I61-M381 HydrophobicContact CD1-CE 3.7Å; I61-M381 HydrophobicContact CD1-SD 4.34Å | ||
| 62 | N | 97.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 18 Ų | 18 | 18% | 0.182 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -81.9 | -14.5 | -178.2 | -78.7 | -24.5 | 0 | 0 | 0 | 114.2 | Y233 L285 | N62-Y233 WeakPolarHBondContact O-CE1 3.27Å; N62-L285 HydrophobicContact CB-CD1 3.99Å; N62-L285 HydrophobicContact CB-CD2 3.64Å; N62-L285 HydrophobicContact CB-CG 4.25Å; N62-L285 VanDerWaalsContact O-CD2 3.31Å; N62-L285 WeakPolarHBondContact O-CD2 3.36Å |
| 63 | T | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 7% | 0.067 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -114.9 | 144.7 | -178.9 | 46.8 | 0 | 0 | 0 | 0 | 110.8 | I61 T68 D234 S379 | I61-T63 WeakPolarHBondContact CG2-O 3.47Å; T63-T68 WeakPolarHBondContact CB-OG1 3.36Å; T63-T68 PolarHBondContact O-OG1 2.99Å; T63-T68 PolarHBondContact OG1-OG1 3.41Å; T63-D234 WeakPolarHBondContact CA-OD2 3.29Å; T63-S379 PolarHBondContact OG1-OG 3.12Å |
| 64 | S | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | trans | -69.9 | 154.4 | -174.4 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | E66 M67 T68 N81 D234 V235 | S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 PolarHBondContact O-N 3.3Å; S64-M67 CarbonylContact O-C 3.28Å; S64-M67 PolarHBondContact O-N 3.35Å; S64-M67 VanDerWaalsContact OG-CG 3.25Å; S64-M67 WeakPolarHBondContact OG-CG 3.46Å; S64-T68 WeakPolarHBondContact O-CB 3.17Å; S64-T68 PolarHBondContact O-N 2.92Å; S64-T68 PolarHBondContact O-OG1 2.77Å; S64-N81 CarbonylContact C-O 3.48Å; S64-N81 WeakPolarHBondContact CA-O 3.32Å; S64-D234 WeakPolarHBondContact CB-OD1 3.35Å; S64-D234 PolarHBondContact N-OD2 3.33Å; S64-D234 VanDerWaalsContact OG-CG 3.29Å; S64-D234 PolarHBondContact OG-OD1 3.46Å; S64-D234 PolarHBondContact OG-OD2 2.83Å; S64-V235 VanDerWaalsContact OG-CG1 3.26Å; S64-V235 WeakPolarHBondContact OG-CG1 3.21Å | ||
| 65 | K | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.3 | -38.2 | -171.6 | 76.3 | -173.3 | -175.7 | -142.6 | 0 | 113.6 | T68 A69 P75 K77 A79 N81 M83 R496 | K65-T68 PolarHBondContact O-N 3.32Å; K65-A69 WeakPolarHBondContact O-CB 3.26Å; K65-A69 PolarHBondContact O-N 3.35Å; K65-P75 HydrophobicContact CB-CG 4.24Å; K65-K77 PolarHBondContact NZ-O 3.11Å; K65-A79 HydrophobicContact CD-CB 4.33Å; K65-A79 WeakPolarHBondContact CD-O 3.12Å; K65-A79 PolarHBondContact NZ-O 3.03Å; K65-N81 WeakPolarHBondContact CE-OD1 3.26Å; K65-N81 PolarHBondContact N-O 3.05Å; K65-N81 PolarHBondContact NZ-OD1 3.3Å; K65-M83 HydrophobicContact CB-CE 3.94Å; K65-M83 HydrophobicContact CB-SD 4.44Å; K65-R496 PolarHBondContact NZ-O 3.33Å |
| 66 | E | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -76 | -29.4 | -179.7 | -54.4 | -63.9 | 137.4 | 0 | 0 | 111.3 | S64 T471 P472 Y473 V493 R496 I497 | S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 PolarHBondContact O-N 3.3Å; E66-T471 HydrophobicContact CB-CG2 4.36Å; E66-P472 WeakPolarHBondContact O-CD 3.18Å; E66-Y473 HydrophobicContact CB-CE2 4.48Å; E66-Y473 WeakPolarHBondContact OE2-CE2 3.42Å; E66-Y473 PolarHBondContact OE2-OH 2.71Å; E66-Y473 VanDerWaalsContact OE2-OH 3.09Å; E66-V493 HydrophobicContact CB-CG2 4.02Å; E66-V493 HydrophobicContact CG-CG2 4.04Å; E66-R496 VanDerWaalsContact CD-NE 3.34Å; E66-R496 IonicContact OE1-CZ 3.74Å; E66-R496 IonicContact OE1-NE 3.39Å; E66-R496 PolarHBondContact OE1-NE 3.22Å; E66-R496 IonicContact OE1-NH2 3.93Å; E66-R496 PolarHBondContact OE1-NH2 3Å; E66-R496 IonicContact OE2-CZ 3.85Å; E66-R496 IonicContact OE2-NE 2.74Å; E66-R496 PolarHBondContact OE2-NE 3.44Å; E66-R496 IonicContact OE2-NH2 3.97Å; E66-R496 PolarHBondContact OE2-NH2 2.7Å; E66-I497 HydrophobicContact CG-CG1 4.01Å |
| 67 | M | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -82.6 | -20.3 | 175.8 | -58.8 | -56.8 | -63.7 | 0 | 0 | 112.6 | S64 D234 V235 L238 S379 P382 Y434 P469 C470 T471 | S64-M67 CarbonylContact O-C 3.28Å; S64-M67 PolarHBondContact O-N 3.35Å; S64-M67 VanDerWaalsContact OG-CG 3.25Å; S64-M67 WeakPolarHBondContact OG-CG 3.46Å; M67-D234 WeakPolarHBondContact CB-OD2 3.18Å; M67-D234 HydrophobicContact CG-CB 4.48Å; M67-V235 HydrophobicContact CG-CG1 3.77Å; M67-V235 HydrophobicContact SD-CG1 4.29Å; M67-L238 HydrophobicContact CE-CB 3.77Å; M67-L238 HydrophobicContact CE-CD1 3.93Å; M67-S379 VanDerWaalsContact O-CB 3.28Å; M67-S379 WeakPolarHBondContact O-CB 3.35Å; M67-P382 WeakPolarHBondContact O-CG 3.29Å; M67-Y434 HydrophobicContact CE-CE1 4.42Å; M67-P469 HydrophobicContact SD-CB 3.84Å; M67-C470 WeakPolarHBondContact CE-O 3.33Å; M67-T471 HydrophobicContact SD-CG2 4.15Å |
| 68 | T | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -93 | -19.6 | 177.9 | -67.2 | 0 | 0 | 0 | 0 | 113.7 | I61 T63 S64 K65 L88 S379 M381 | I61-T68 HydrophobicContact CD1-CG2 3.55Å; T63-T68 WeakPolarHBondContact CB-OG1 3.36Å; T63-T68 PolarHBondContact O-OG1 2.99Å; T63-T68 PolarHBondContact OG1-OG1 3.41Å; S64-T68 WeakPolarHBondContact O-CB 3.17Å; S64-T68 PolarHBondContact O-N 2.92Å; S64-T68 PolarHBondContact O-OG1 2.77Å; K65-T68 PolarHBondContact O-N 3.32Å; T68-L88 HydrophobicContact CG2-CD1 4.28Å; T68-S379 WeakPolarHBondContact CA-OG 3.37Å; T68-S379 PolarHBondContact OG1-OG 2.99Å; T68-M381 HydrophobicContact CG2-CB 4.32Å; T68-M381 HydrophobicContact CG2-CE 4.34Å; T68-M381 HydrophobicContact CG2-CG 4.08Å; T68-M381 HydrophobicContact CG2-SD 3.94Å; T68-M381 WeakPolarHBondContact O-CB 3.42Å |
| 69 | A | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -54.9 | 147.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | K65 P75 P472 Y473 | K65-A69 WeakPolarHBondContact O-CB 3.26Å; K65-A69 PolarHBondContact O-N 3.35Å; A69-P75 VanDerWaalsContact CB-CD 3.46Å; A69-P75 HydrophobicContact CB-CG 4.18Å; A69-P472 WeakPolarHBondContact O-CB 3.02Å; A69-P472 WeakPolarHBondContact O-CG 3.28Å; A69-Y473 HydrophobicContact CB-CE1 3.58Å; A69-Y473 WeakPolarHBondContact CB-OH 3.14Å |
| 70 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 141.2 | 157.9 | -54.6 | -50.4 | 0 | 0 | 0 | 109.6 | P13 T17 D72 F73 Y91 F92 Y95 M381 E385 | P13-F70 HydrophobicContact CB-CZ 4.26Å; T17-F70 HydrophobicContact CG2-CD1 3.3Å; T17-F70 HydrophobicContact CG2-CE1 3.19Å; T17-F70 HydrophobicContact CG2-CE2 4.44Å; T17-F70 HydrophobicContact CG2-CG 4.01Å; T17-F70 HydrophobicContact CG2-CZ 3.81Å; F70-D72 VanDerWaalsContact C-N 3.25Å; F70-D72 PolarHBondContact O-N 3.22Å; F70-F73 HydrophobicContact CB-CB 4.41Å; F70-F73 CarbonylContact O-C 3.59Å; F70-F73 PolarHBondContact O-N 3.41Å; F70-Y91 AromaticContact CD2-CE1 3.81Å; F70-Y91 HydrophobicContact CD2-CE1 3.81Å; F70-Y91 AromaticContact CD2-CZ 3.92Å; F70-Y91 WeakPolarHBondContact CD2-OH 3.25Å; F70-Y91 AromaticContact CE2-CE1 3.93Å; F70-Y91 HydrophobicContact CE2-CE1 3.93Å; F70-Y91 PolarHBondContact N-OH 3.21Å; F70-F92 AromaticContact CE2-CD1 3.88Å; F70-F92 HydrophobicContact CE2-CD1 3.88Å; F70-F92 HydrophobicContact CE2-CE1 4.03Å; F70-F92 HydrophobicContact CZ-CD1 4.06Å; F70-F92 AromaticContact CZ-CE1 3.82Å; F70-F92 HydrophobicContact CZ-CE1 3.82Å; F70-Y95 HydrophobicContact CB-CD2 4.34Å; F70-Y95 HydrophobicContact CB-CE2 3.88Å; F70-Y95 AromaticContact CD2-CD1 3.88Å; F70-Y95 HydrophobicContact CD2-CD1 3.88Å; F70-Y95 AromaticContact CD2-CD2 3.48Å; F70-Y95 HydrophobicContact CD2-CD2 3.48Å; F70-Y95 VanDerWaalsContact CD2-CD2 3.48Å; F70-Y95 AromaticContact CD2-CE1 4Å; F70-Y95 HydrophobicContact CD2-CE1 4Å; F70-Y95 AromaticContact CD2-CE2 3.61Å; F70-Y95 HydrophobicContact CD2-CE2 3.61Å; F70-Y95 AromaticContact CD2-CG 3.61Å; F70-Y95 HydrophobicContact CD2-CG 3.61Å; F70-Y95 AromaticContact CD2-CZ 3.87Å; F70-Y95 AromaticContact CE2-CD1 3.77Å; F70-Y95 HydrophobicContact CE2-CD1 3.77Å; F70-Y95 HydrophobicContact CE2-CD2 4.19Å; F70-Y95 HydrophobicContact CE2-CE1 4.05Å; F70-Y95 HydrophobicContact CE2-CE2 4.44Å; F70-Y95 AromaticContact CE2-CG 3.84Å; F70-Y95 HydrophobicContact CE2-CG 3.84Å; F70-Y95 HydrophobicContact CG-CD2 4.29Å; F70-Y95 AromaticContact CG-CE2 4Å; F70-Y95 HydrophobicContact CG-CE2 4Å; F70-M381 HydrophobicContact CE1-CB 4.07Å; F70-E385 WeakPolarHBondContact CA-OE2 3.06Å |
| 71 | S | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.1 | -161.9 | 67.7 | 0 | 0 | 0 | 0 | 115 | E385 P472 Y473 R476 | S71-E385 VanDerWaalsContact CB-OE2 3.24Å; S71-E385 WeakPolarHBondContact CB-OE2 3.31Å; S71-E385 PolarHBondContact N-OE2 2.79Å; S71-E385 PolarHBondContact OG-OE1 3.48Å; S71-E385 PolarHBondContact OG-OE2 2.94Å; S71-P472 VanDerWaalsContact CB-O 3.28Å; S71-P472 WeakPolarHBondContact CB-O 3.22Å; S71-Y473 WeakPolarHBondContact O-CD1 3.27Å; S71-R476 VanDerWaalsContact OG-CG 3.26Å; S71-R476 WeakPolarHBondContact OG-CG 3.46Å; S71-R476 PolarHBondContact OG-NE 3.05Å |
| 72 | D | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 12.3 | 174.9 | 61.3 | -1.6 | 0 | 0 | 0 | 113.3 | K20 F70 R476 W483 | K20-D72 WeakPolarHBondContact CE-OD2 3.11Å; K20-D72 IonicContact NZ-OD2 3.06Å; K20-D72 PolarHBondContact NZ-OD2 2.9Å; F70-D72 VanDerWaalsContact C-N 3.25Å; F70-D72 PolarHBondContact O-N 3.22Å; D72-R476 HydrophobicContact CB-CG 4.45Å; D72-R476 IonicContact OD2-CZ 3.7Å; D72-R476 IonicContact OD2-NH1 3.11Å; D72-R476 IonicContact OD2-NH2 3.63Å; D72-R476 PolarHBondContact OD2-NH2 2.77Å; D72-W483 HydrophobicContact CB-CB 4Å; D72-W483 HydrophobicContact CB-CD2 4.05Å; D72-W483 HydrophobicContact CB-CE3 4.44Å; D72-W483 HydrophobicContact CB-CG 3.84Å |
| 73 | F | 98.4 | Very high | 98 | Very high | 40 Ų | 40 | 25.6 Ų | 25.6 | 18% | 0.175 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -143 | 79.7 | -179.5 | -163.6 | -105.8 | 0 | 0 | 0 | 112.3 | F70 Y91 E94 Y95 A98 F99 | F70-F73 HydrophobicContact CB-CB 4.41Å; F70-F73 CarbonylContact O-C 3.59Å; F70-F73 PolarHBondContact O-N 3.41Å; F73-Y91 HydrophobicContact CD1-CD2 4.2Å; F73-Y91 AromaticContact CD1-CE2 3.42Å; F73-Y91 HydrophobicContact CD1-CE2 3.42Å; F73-Y91 VanDerWaalsContact CD1-CE2 3.42Å; F73-Y91 AromaticContact CD1-CZ 3.92Å; F73-Y91 HydrophobicContact CE1-CD2 4.12Å; F73-Y91 AromaticContact CE1-CE2 3.79Å; F73-Y91 HydrophobicContact CE1-CE2 3.79Å; F73-Y91 WeakPolarHBondContact O-CE2 3.45Å; F73-Y91 PolarHBondContact O-OH 3Å; F73-E94 HydrophobicContact CE1-CB 3.99Å; F73-E94 HydrophobicContact CZ-CB 3.95Å; F73-Y95 HydrophobicContact CB-CD2 3.64Å; F73-Y95 HydrophobicContact CB-CE2 3.94Å; F73-Y95 AromaticContact CD1-CD2 3.63Å; F73-Y95 HydrophobicContact CD1-CD2 3.63Å; F73-Y95 HydrophobicContact CD1-CG 4.23Å; F73-Y95 HydrophobicContact CD2-CD2 4.42Å; F73-Y95 HydrophobicContact CE1-CD2 4.39Å; F73-Y95 AromaticContact CG-CD2 3.65Å; F73-Y95 HydrophobicContact CG-CD2 3.65Å; F73-Y95 HydrophobicContact CG-CE2 4.41Å; F73-A98 HydrophobicContact CD2-CB 4.32Å; F73-A98 HydrophobicContact CE2-CB 3.56Å; F73-A98 HydrophobicContact CZ-CB 4.03Å; F73-F99 HydrophobicContact CB-CE2 4.04Å; F73-F99 AromaticContact CD2-CE2 3.78Å; F73-F99 HydrophobicContact CD2-CE2 3.78Å; F73-F99 HydrophobicContact CD2-CZ 4.26Å; F73-F99 HydrophobicContact CG-CE2 4.06Å |
| 74 | P | 98.2 | Very high | 98 | Very high | 30 Ų | 30 | 27.9 Ų | 27.9 | 20% | 0.195 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 139.4 | 176.6 | -20.5 | 32.1 | 0 | 0 | 0 | 112 | Y473 W483 A489 | P74-Y473 HydrophobicContact CB-CE1 4.09Å; P74-Y473 HydrophobicContact CG-CD1 4.33Å; P74-Y473 HydrophobicContact CG-CE1 3.81Å; P74-W483 VanDerWaalsContact CD-CH2 3.41Å; P74-W483 HydrophobicContact CG-CH2 3.52Å; P74-W483 HydrophobicContact CG-CZ3 3.9Å; P74-A489 HydrophobicContact CG-CB 4.24Å |
| 75 | P | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 165 | 170.2 | -23.1 | 31.4 | 0 | 0 | 0 | 112.1 | K65 A69 K77 M83 Y91 R496 | K65-P75 HydrophobicContact CB-CG 4.24Å; A69-P75 VanDerWaalsContact CB-CD 3.46Å; A69-P75 HydrophobicContact CB-CG 4.18Å; P75-K77 PolarHBondContact O-N 2.93Å; P75-M83 HydrophobicContact CG-CE 4.39Å; P75-Y91 HydrophobicContact CB-CD2 3.9Å; P75-Y91 HydrophobicContact CB-CE2 4.02Å; P75-Y91 HydrophobicContact CG-CD2 3.9Å; P75-Y91 HydrophobicContact CG-CE2 3.63Å; P75-Y91 HydrophobicContact CG-CG 4.47Å; P75-R496 PolarHBondContact O-NH2 3.2Å |
| 76 | R | 97.8 | Very high | 98 | Very high | 124 Ų | 124 | 32.2 Ų | 32.2 | 47% | 0.468 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -55.8 | 136.3 | 171.3 | -59.2 | -178.6 | -172.2 | -157.3 | 0.1 | 110.1 | E78 A79 E94 | R76-E78 PolarHBondContact O-N 3.07Å; R76-A79 HydrophobicContact CB-CB 4.49Å; R76-A79 VanDerWaalsContact O-CB 3.29Å; R76-A79 WeakPolarHBondContact O-CB 3.34Å; R76-A79 PolarHBondContact O-N 2.59Å; R76-E94 IonicContact CZ-OE1 2.72Å; R76-E94 IonicContact NE-OE1 3.77Å; R76-E94 PolarHBondContact NE-OE1 3.27Å; R76-E94 IonicContact NE-OE2 2.75Å; R76-E94 PolarHBondContact NE-OE2 2.99Å; R76-E94 IonicContact NH2-OE1 2.65Å; R76-E94 PolarHBondContact NH2-OE1 3.43Å; R76-E94 IonicContact NH2-OE2 3.24Å |
| 77 | K | 96.6 | Very high | 98 | Very high | 107 Ų | 107 | 34.8 Ų | 34.8 | 47% | 0.465 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.1 | -176.7 | 64.2 | -179 | -178.5 | -176.5 | 0 | 111.8 | K65 P75 A79 R496 C499 | K65-K77 PolarHBondContact NZ-O 3.11Å; P75-K77 PolarHBondContact O-N 2.93Å; K77-A79 VanDerWaalsContact C-N 3.33Å; K77-R496 HydrophobicContact CB-CG 4.33Å; K77-C499 HydrophobicContact CB-CB 4.45Å; K77-C499 WeakPolarHBondContact O-CB 3.34Å |
| 78 | E | 96.2 | Very high | 98 | Very high | 113 Ų | 113 | 34.8 Ų | 34.8 | 53% | 0.528 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -19 | 178.1 | -59.6 | 75.7 | -163.6 | 0 | 0 | 113.3 | R76 | R76-E78 PolarHBondContact O-N 3.07Š|
| 79 | A | 97.2 | Very high | 98 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -59.6 | 146.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K65 R76 K77 M83 E87 | K65-A79 HydrophobicContact CD-CB 4.33Å; K65-A79 WeakPolarHBondContact CD-O 3.12Å; K65-A79 PolarHBondContact NZ-O 3.03Å; R76-A79 HydrophobicContact CB-CB 4.49Å; R76-A79 VanDerWaalsContact O-CB 3.29Å; R76-A79 WeakPolarHBondContact O-CB 3.34Å; R76-A79 PolarHBondContact O-N 2.59Å; K77-A79 VanDerWaalsContact C-N 3.33Å; A79-M83 HydrophobicContact CB-SD 4.31Å; A79-E87 HydrophobicContact CB-CG 4.48Å |
| 80 | A | 97.4 | Very high | 98 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | trans | -56.7 | 142.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F82 M83 | A80-F82 PolarHBondContact O-N 3.49Å; A80-M83 WeakPolarHBondContact O-CG 3.03Å | ||
| 81 | N | 98 | Very high | 98 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -60.7 | -34.9 | 177.5 | -72.1 | -28.8 | 0 | 0 | 0 | 111.1 | S64 K65 P232 I497 Y501 | S64-N81 CarbonylContact C-O 3.48Å; S64-N81 WeakPolarHBondContact CA-O 3.32Å; K65-N81 WeakPolarHBondContact CE-OD1 3.26Å; K65-N81 PolarHBondContact N-O 3.05Å; K65-N81 PolarHBondContact NZ-OD1 3.3Å; N81-P232 HydrophobicContact CB-CG 4.15Å; N81-I497 PolarHBondContact ND2-O 3.13Å; N81-I497 PolarHBondContact OD1-O 3.12Å; N81-Y501 WeakPolarHBondContact ND2-CE2 3.35Å; N81-Y501 PolarHBondContact ND2-OH 3.41Å |
| 82 | F | 98.2 | Very high | 98 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -111.3 | 103.6 | 170.4 | -59.5 | -81.7 | 0 | 0 | 0 | 108.1 | T60 I61 A80 R225 P232 | T60-F82 HydrophobicContact CG2-CB 3.85Å; T60-F82 WeakPolarHBondContact CG2-O 3.39Å; I61-F82 WeakPolarHBondContact O-CD1 3.27Å; A80-F82 PolarHBondContact O-N 3.49Å; F82-R225 HydrophobicContact CD1-CB 4.15Å; F82-R225 HydrophobicContact CD1-CG 3.86Å; F82-R225 HydrophobicContact CD2-CB 4.01Å; F82-R225 HydrophobicContact CD2-CG 4.48Å; F82-R225 HydrophobicContact CE1-CB 3.82Å; F82-R225 HydrophobicContact CE1-CG 3.81Å; F82-R225 HydrophobicContact CE2-CB 3.7Å; F82-R225 HydrophobicContact CE2-CG 4.47Å; F82-R225 HydrophobicContact CG-CB 4.23Å; F82-R225 HydrophobicContact CG-CG 4.19Å; F82-R225 HydrophobicContact CZ-CB 3.6Å; F82-R225 HydrophobicContact CZ-CG 4.14Å; F82-R225 WeakPolarHBondContact CZ-O 3.41Å; F82-P232 HydrophobicContact CE2-CB 4.07Å; F82-P232 HydrophobicContact CE2-CG 4.07Å; F82-P232 HydrophobicContact CZ-CB 3.64Å; F82-P232 HydrophobicContact CZ-CG 4.13Å |
| 83 | M | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -78 | 127.5 | -175.3 | -67.3 | -177 | -73.8 | 0 | 0 | 110.9 | T60 I61 K65 P75 A79 A80 E87 L88 | T60-M83 WeakPolarHBondContact CG2-O 3.35Å; I61-M83 HydrophobicContact CG2-CB 4.28Å; I61-M83 WeakPolarHBondContact CG2-O 3.21Å; I61-M83 PolarHBondContact N-O 2.9Å; K65-M83 HydrophobicContact CB-CE 3.94Å; K65-M83 HydrophobicContact CB-SD 4.44Å; P75-M83 HydrophobicContact CG-CE 4.39Å; A79-M83 HydrophobicContact CB-SD 4.31Å; A80-M83 WeakPolarHBondContact O-CG 3.03Å; M83-E87 HydrophobicContact CB-CB 4.2Å; M83-E87 HydrophobicContact CG-CB 4.44Å; M83-E87 HydrophobicContact CG-CG 4.2Å; M83-E87 HydrophobicContact SD-CG 4.28Å; M83-L88 HydrophobicContact CB-CB 4.27Å; M83-L88 HydrophobicContact CE-CD1 3.55Å | ||
| 84 | H | 98.3 | Very high | 98 | Very high | 60 Ų | 60 | 44 Ų | 44 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -57.5 | 153.3 | 164.2 | -176.8 | -100.3 | 0 | 0 | 0 | 109.7 | R57 T86 E87 L88 | R57-H84 PolarHBondContact O-CE1 3.1Å; R57-H84 VanDerWaalsContact O-CE1 3.26Å; R57-H84 PolarHBondContact O-NE2 2.89Å; H84-T86 PolarHBondContact ND1-N 3.4Å; H84-T86 PolarHBondContact ND1-OG1 3.37Å; H84-T86 PolarHBondContact O-N 3.11Å; H84-E87 PolarHBondContact O-N 2.74Å; H84-L88 PolarHBondContact O-N 3.06Å |
| 85 | N | 97.8 | Very high | 98 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -50.5 | -37.2 | -178.8 | 61.7 | 67.2 | 0 | 0 | 0 | 113.1 | W42 V55 M56 R57 T59 L88 M89 | W42-N85 HydrophobicContact CE3-CB 4.13Å; V55-N85 HydrophobicContact CG2-CB 3.84Å; M56-N85 PolarHBondContact O-ND2 3.25Å; R57-N85 PolarHBondContact O-ND2 2.74Å; T59-N85 PolarHBondContact O-N 2.82Å; T59-N85 PolarHBondContact O-ND2 3.41Å; N85-L88 PolarHBondContact O-N 3.22Å; N85-M89 WeakPolarHBondContact O-CB 3.42Å; N85-M89 WeakPolarHBondContact O-CG 3.32Å; N85-M89 PolarHBondContact O-N 3.09Å |
| 86 | T | 98.1 | Very high | 98.1 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 53% | 0.534 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 177 | 56 | 0 | 0 | 0 | 0 | 113.6 | H84 M89 K90 | H84-T86 PolarHBondContact ND1-N 3.4Å; H84-T86 PolarHBondContact ND1-OG1 3.37Å; H84-T86 PolarHBondContact O-N 3.11Å; T86-M89 PolarHBondContact O-N 3.43Å; T86-K90 PolarHBondContact O-N 3.27Å |
| 87 | E | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -74.3 | -33.9 | 177.6 | -167.8 | 66 | -163.8 | 0 | 0 | 110.7 | A79 M83 H84 K90 Y91 | A79-E87 HydrophobicContact CB-CG 4.48Å; M83-E87 HydrophobicContact CB-CB 4.2Å; M83-E87 HydrophobicContact CG-CB 4.44Å; M83-E87 HydrophobicContact CG-CG 4.2Å; M83-E87 HydrophobicContact SD-CG 4.28Å; H84-E87 PolarHBondContact O-N 2.74Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.07Å; E87-K90 PolarHBondContact OE1-NZ 3.32Å; E87-K90 IonicContact OE2-NZ 2.8Å; E87-Y91 PolarHBondContact O-N 3.31Å |
| 88 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 172.3 | -172.8 | 70.9 | 0 | 0 | 0 | 111.6 | W42 I61 T68 M83 H84 N85 K90 Y91 F92 M381 | W42-L88 HydrophobicContact CB-CD2 4.34Å; W42-L88 HydrophobicContact CD2-CD2 3.26Å; W42-L88 HydrophobicContact CE3-CD2 3.36Å; W42-L88 HydrophobicContact CG-CD2 3.71Å; W42-L88 HydrophobicContact CH2-CD2 4.17Å; W42-L88 HydrophobicContact CZ2-CD2 4.08Å; W42-L88 HydrophobicContact CZ3-CD2 3.82Å; I61-L88 HydrophobicContact CD1-CD2 4.21Å; T68-L88 HydrophobicContact CG2-CD1 4.28Å; M83-L88 HydrophobicContact CB-CB 4.27Å; M83-L88 HydrophobicContact CE-CD1 3.55Å; H84-L88 PolarHBondContact O-N 3.06Å; N85-L88 PolarHBondContact O-N 3.22Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.31Å; L88-Y91 HydrophobicContact CD1-CD1 4.25Å; L88-Y91 WeakPolarHBondContact O-CB 3.14Å; L88-Y91 PolarHBondContact O-N 2.67Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; L88-F92 HydrophobicContact CD1-CE1 4.12Å; L88-F92 HydrophobicContact CD1-CZ 3.91Å; L88-F92 HydrophobicContact CD2-CE2 3.94Å; L88-F92 HydrophobicContact CD2-CZ 3.78Å; L88-F92 HydrophobicContact CG-CD2 4.48Å; L88-F92 HydrophobicContact CG-CE1 4.22Å; L88-F92 HydrophobicContact CG-CE2 3.78Å; L88-F92 HydrophobicContact CG-CZ 3.62Å; L88-F92 WeakPolarHBondContact O-CG 3.11Å; L88-F92 PolarHBondContact O-N 2.8Å; L88-M381 HydrophobicContact CD2-CE 4.23Å |
| 89 | M | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 173.7 | -82.5 | -59.8 | -65.1 | 0 | 0 | 112.2 | I38 W42 C43 N85 T86 F92 R93 | I38-M89 HydrophobicContact CG1-CE 4.18Å; I38-M89 VanDerWaalsContact O-CE 3.28Å; I38-M89 WeakPolarHBondContact O-CE 3.43Å; W42-M89 HydrophobicContact CB-SD 4.37Å; W42-M89 WeakPolarHBondContact O-CG 3.34Å; C43-M89 HydrophobicContact CB-CE 4.19Å; C43-M89 HydrophobicContact CB-SD 4.25Å; N85-M89 WeakPolarHBondContact O-CB 3.42Å; N85-M89 WeakPolarHBondContact O-CG 3.32Å; N85-M89 PolarHBondContact O-N 3.09Å; T86-M89 PolarHBondContact O-N 3.43Å; M89-F92 PolarHBondContact O-N 2.82Å; M89-F92 HydrophobicContact SD-CD2 3.97Å; M89-R93 WeakPolarHBondContact O-CG 3.27Å; M89-R93 PolarHBondContact O-N 3.43Å |
| 90 | K | 98.4 | Very high | 98.3 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 30% | 0.296 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 172.4 | 178.2 | -175.5 | 164.9 | -157.5 | 0 | 111.6 | T86 E87 L88 F92 R93 E94 | T86-K90 PolarHBondContact O-N 3.27Å; E87-K90 WeakPolarHBondContact O-CB 3.45Å; E87-K90 PolarHBondContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.07Å; E87-K90 PolarHBondContact OE1-NZ 3.32Å; E87-K90 IonicContact OE2-NZ 2.8Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.31Å; K90-F92 VanDerWaalsContact C-N 3.33Å; K90-F92 PolarHBondContact O-N 3.37Å; K90-R93 PolarHBondContact O-N 3.46Å; K90-E94 WeakPolarHBondContact CE-OE1 3.33Å; K90-E94 WeakPolarHBondContact CG-OE1 3.35Å; K90-E94 WeakPolarHBondContact O-CG 3.42Å; K90-E94 PolarHBondContact O-N 2.76Å |
| 91 | Y | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 173.2 | 170.5 | -108.1 | 0 | 0 | 0 | 112.3 | F70 F73 P75 E87 L88 E94 Y95 | F70-Y91 AromaticContact CD2-CE1 3.81Å; F70-Y91 HydrophobicContact CD2-CE1 3.81Å; F70-Y91 AromaticContact CD2-CZ 3.92Å; F70-Y91 WeakPolarHBondContact CD2-OH 3.25Å; F70-Y91 AromaticContact CE2-CE1 3.93Å; F70-Y91 HydrophobicContact CE2-CE1 3.93Å; F70-Y91 PolarHBondContact N-OH 3.21Å; F73-Y91 HydrophobicContact CD1-CD2 4.2Å; F73-Y91 AromaticContact CD1-CE2 3.42Å; F73-Y91 HydrophobicContact CD1-CE2 3.42Å; F73-Y91 VanDerWaalsContact CD1-CE2 3.42Å; F73-Y91 AromaticContact CD1-CZ 3.92Å; F73-Y91 HydrophobicContact CE1-CD2 4.12Å; F73-Y91 AromaticContact CE1-CE2 3.79Å; F73-Y91 HydrophobicContact CE1-CE2 3.79Å; F73-Y91 WeakPolarHBondContact O-CE2 3.45Å; F73-Y91 PolarHBondContact O-OH 3Å; P75-Y91 HydrophobicContact CB-CD2 3.9Å; P75-Y91 HydrophobicContact CB-CE2 4.02Å; P75-Y91 HydrophobicContact CG-CD2 3.9Å; P75-Y91 HydrophobicContact CG-CE2 3.63Å; P75-Y91 HydrophobicContact CG-CG 4.47Å; E87-Y91 PolarHBondContact O-N 3.31Å; L88-Y91 HydrophobicContact CD1-CD1 4.25Å; L88-Y91 WeakPolarHBondContact O-CB 3.14Å; L88-Y91 PolarHBondContact O-N 2.67Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; Y91-E94 PolarHBondContact O-N 3.39Å; Y91-Y95 PolarHBondContact O-N 2.79Å |
| 92 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 174.9 | -63.5 | -27.8 | 0 | 0 | 0 | 112.9 | P13 L16 I38 W42 F70 L88 M89 K90 E94 Y95 V96 | P13-F92 HydrophobicContact CB-CE1 4.37Å; P13-F92 HydrophobicContact CB-CZ 4.12Å; P13-F92 HydrophobicContact CG-CE1 4.22Å; P13-F92 HydrophobicContact CG-CE2 3.81Å; P13-F92 HydrophobicContact CG-CZ 3.5Å; L16-F92 HydrophobicContact CD1-CB 4.04Å; L16-F92 HydrophobicContact CD1-CG 4.27Å; I38-F92 HydrophobicContact CD1-CB 4.23Å; W42-F92 HydrophobicContact CB-CE2 3.95Å; W42-F92 HydrophobicContact CG-CE2 4.13Å; F70-F92 AromaticContact CE2-CD1 3.88Å; F70-F92 HydrophobicContact CE2-CD1 3.88Å; F70-F92 HydrophobicContact CE2-CE1 4.03Å; F70-F92 HydrophobicContact CZ-CD1 4.06Å; F70-F92 AromaticContact CZ-CE1 3.82Å; F70-F92 HydrophobicContact CZ-CE1 3.82Å; L88-F92 HydrophobicContact CD1-CE1 4.12Å; L88-F92 HydrophobicContact CD1-CZ 3.91Å; L88-F92 HydrophobicContact CD2-CE2 3.94Å; L88-F92 HydrophobicContact CD2-CZ 3.78Å; L88-F92 HydrophobicContact CG-CD2 4.48Å; L88-F92 HydrophobicContact CG-CE1 4.22Å; L88-F92 HydrophobicContact CG-CE2 3.78Å; L88-F92 HydrophobicContact CG-CZ 3.62Å; L88-F92 WeakPolarHBondContact O-CG 3.11Å; L88-F92 PolarHBondContact O-N 2.8Å; M89-F92 PolarHBondContact O-N 2.82Å; M89-F92 HydrophobicContact SD-CD2 3.97Å; K90-F92 VanDerWaalsContact C-N 3.33Å; K90-F92 PolarHBondContact O-N 3.37Å; F92-E94 VanDerWaalsContact C-N 3.33Å; F92-E94 PolarHBondContact O-N 3.12Å; F92-Y95 PolarHBondContact O-N 3.05Å; F92-V96 WeakPolarHBondContact O-CB 3.04Å; F92-V96 WeakPolarHBondContact O-CG2 3.2Å; F92-V96 PolarHBondContact O-N 3.25Å |
| 93 | R | 98.7 | Very high | 98.4 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 175.5 | -70.8 | 175.2 | -177.7 | 144.4 | 0.5 | 112 | D37 I38 M89 K90 V96 A97 | D37-R93 IonicContact OD2-CZ 2.66Å; D37-R93 IonicContact OD2-NE 3.37Å; D37-R93 IonicContact OD2-NH2 2.84Å; D37-R93 PolarHBondContact OD2-NH2 3.28Å; I38-R93 HydrophobicContact CD1-CG 4.04Å; M89-R93 WeakPolarHBondContact O-CG 3.27Å; M89-R93 PolarHBondContact O-N 3.43Å; K90-R93 PolarHBondContact O-N 3.46Å; R93-V96 PolarHBondContact O-N 3.07Å; R93-A97 WeakPolarHBondContact O-CB 3.45Å; R93-A97 PolarHBondContact O-N 2.78Å |
| 94 | E | 98.7 | Very high | 98.4 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 173.9 | -72.7 | 171 | -164.6 | 0 | 0 | 111.7 | F73 R76 K90 Y91 F92 A97 A98 | F73-E94 HydrophobicContact CE1-CB 3.99Å; F73-E94 HydrophobicContact CZ-CB 3.95Å; R76-E94 IonicContact CZ-OE1 2.72Å; R76-E94 IonicContact NE-OE1 3.77Å; R76-E94 PolarHBondContact NE-OE1 3.27Å; R76-E94 IonicContact NE-OE2 2.75Å; R76-E94 PolarHBondContact NE-OE2 2.99Å; R76-E94 IonicContact NH2-OE1 2.65Å; R76-E94 PolarHBondContact NH2-OE1 3.43Å; R76-E94 IonicContact NH2-OE2 3.24Å; K90-E94 WeakPolarHBondContact CE-OE1 3.33Å; K90-E94 WeakPolarHBondContact CG-OE1 3.35Å; K90-E94 WeakPolarHBondContact O-CG 3.42Å; K90-E94 PolarHBondContact O-N 2.76Å; Y91-E94 PolarHBondContact O-N 3.39Å; F92-E94 VanDerWaalsContact C-N 3.33Å; F92-E94 PolarHBondContact O-N 3.12Å; E94-A97 PolarHBondContact O-N 2.84Å; E94-A98 VanDerWaalsContact O-CB 3.27Å; E94-A98 WeakPolarHBondContact O-CB 3.34Å; E94-A98 PolarHBondContact O-N 3.39Å |
| 95 | Y | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -47 | 175 | -178.1 | -102.9 | 0 | 0 | 0 | 111.8 | L16 K20 F70 F73 Y91 F92 A97 A98 F99 I101 | L16-Y95 HydrophobicContact CB-CE1 4.42Å; K20-Y95 HydrophobicContact CB-CE1 4.22Å; K20-Y95 VanDerWaalsContact CB-OH 3.26Å; K20-Y95 WeakPolarHBondContact CB-OH 3.14Å; K20-Y95 WeakPolarHBondContact CD-OH 3.39Å; K20-Y95 HydrophobicContact CG-CE1 4.46Å; K20-Y95 WeakPolarHBondContact CG-OH 3.22Å; F70-Y95 HydrophobicContact CB-CD2 4.34Å; F70-Y95 HydrophobicContact CB-CE2 3.88Å; F70-Y95 AromaticContact CD2-CD1 3.88Å; F70-Y95 HydrophobicContact CD2-CD1 3.88Å; F70-Y95 AromaticContact CD2-CD2 3.48Å; F70-Y95 HydrophobicContact CD2-CD2 3.48Å; F70-Y95 VanDerWaalsContact CD2-CD2 3.48Å; F70-Y95 AromaticContact CD2-CE1 4Å; F70-Y95 HydrophobicContact CD2-CE1 4Å; F70-Y95 AromaticContact CD2-CE2 3.61Å; F70-Y95 HydrophobicContact CD2-CE2 3.61Å; F70-Y95 AromaticContact CD2-CG 3.61Å; F70-Y95 HydrophobicContact CD2-CG 3.61Å; F70-Y95 AromaticContact CD2-CZ 3.87Å; F70-Y95 AromaticContact CE2-CD1 3.77Å; F70-Y95 HydrophobicContact CE2-CD1 3.77Å; F70-Y95 HydrophobicContact CE2-CD2 4.19Å; F70-Y95 HydrophobicContact CE2-CE1 4.05Å; F70-Y95 HydrophobicContact CE2-CE2 4.44Å; F70-Y95 AromaticContact CE2-CG 3.84Å; F70-Y95 HydrophobicContact CE2-CG 3.84Å; F70-Y95 HydrophobicContact CG-CD2 4.29Å; F70-Y95 AromaticContact CG-CE2 4Å; F70-Y95 HydrophobicContact CG-CE2 4Å; F73-Y95 HydrophobicContact CB-CD2 3.64Å; F73-Y95 HydrophobicContact CB-CE2 3.94Å; F73-Y95 AromaticContact CD1-CD2 3.63Å; F73-Y95 HydrophobicContact CD1-CD2 3.63Å; F73-Y95 HydrophobicContact CD1-CG 4.23Å; F73-Y95 HydrophobicContact CD2-CD2 4.42Å; F73-Y95 HydrophobicContact CE1-CD2 4.39Å; F73-Y95 AromaticContact CG-CD2 3.65Å; F73-Y95 HydrophobicContact CG-CD2 3.65Å; F73-Y95 HydrophobicContact CG-CE2 4.41Å; Y91-Y95 PolarHBondContact O-N 2.79Å; F92-Y95 PolarHBondContact O-N 3.05Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-A97 PolarHBondContact O-N 3.12Å; Y95-A98 PolarHBondContact O-N 3.05Å; Y95-F99 AromaticContact CD2-CD2 3.54Å; Y95-F99 HydrophobicContact CD2-CD2 3.54Å; Y95-F99 AromaticContact CD2-CE2 3.43Å; Y95-F99 HydrophobicContact CD2-CE2 3.43Å; Y95-F99 VanDerWaalsContact CD2-CE2 3.43Å; Y95-F99 HydrophobicContact CE1-CD2 4.44Å; Y95-F99 AromaticContact CE2-CD2 3.45Å; Y95-F99 HydrophobicContact CE2-CD2 3.45Å; Y95-F99 VanDerWaalsContact CE2-CD2 3.45Å; Y95-F99 AromaticContact CE2-CE2 3.29Å; Y95-F99 HydrophobicContact CE2-CE2 3.29Å; Y95-F99 HydrophobicContact CE2-CZ 4.35Å; Y95-F99 HydrophobicContact CG-CD2 4.11Å; Y95-F99 HydrophobicContact CG-CE2 4.4Å; Y95-F99 AromaticContact CZ-CD2 3.94Å; Y95-F99 WeakPolarHBondContact O-CD2 3.47Å; Y95-F99 PolarHBondContact O-N 2.83Å; Y95-F99 VanDerWaalsContact O-N 3.14Å; Y95-I101 HydrophobicContact CD1-CD1 3.56Å; Y95-I101 HydrophobicContact CE1-CD1 3.33Å |
| 96 | V | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 178.7 | 164.4 | 0 | 0 | 0 | 0 | 112.5 | L16 I38 F92 R93 N100 I101 K102 | L16-V96 HydrophobicContact CD1-CG2 3.96Å; L16-V96 HydrophobicContact CD2-CG2 3.69Å; L16-V96 HydrophobicContact CG-CG2 4.33Å; I38-V96 HydrophobicContact CD1-CB 4.2Å; I38-V96 HydrophobicContact CD1-CG2 3.65Å; F92-V96 WeakPolarHBondContact O-CB 3.04Å; F92-V96 WeakPolarHBondContact O-CG2 3.2Å; F92-V96 PolarHBondContact O-N 3.25Å; R93-V96 PolarHBondContact O-N 3.07Å; V96-N100 PolarHBondContact O-N 3.24Å; V96-N100 VanDerWaalsContact O-N 3.16Å; V96-I101 HydrophobicContact CB-CB 4.33Å; V96-I101 HydrophobicContact CG1-CB 4.13Å; V96-I101 HydrophobicContact CG2-CB 4.13Å; V96-I101 HydrophobicContact CG2-CD1 4.33Å; V96-I101 HydrophobicContact CG2-CG2 4.1Å; V96-I101 PolarHBondContact O-N 3.05Å; V96-K102 HydrophobicContact CG1-CB 3.7Å |
| 97 | A | 98.6 | Very high | 98.5 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 56% | 0.562 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -69.4 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R93 E94 Y95 F99 N100 | R93-A97 WeakPolarHBondContact O-CB 3.45Å; R93-A97 PolarHBondContact O-N 2.78Å; E94-A97 PolarHBondContact O-N 2.84Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-A97 PolarHBondContact O-N 3.12Å; A97-F99 VanDerWaalsContact C-N 3.25Å; A97-F99 PolarHBondContact O-N 3.22Å; A97-N100 PolarHBondContact O-N 2.88Å |
| 98 | A | 98.4 | Very high | 98.5 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 46% | 0.463 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -32 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F73 E94 Y95 | F73-A98 HydrophobicContact CD2-CB 4.32Å; F73-A98 HydrophobicContact CE2-CB 3.56Å; F73-A98 HydrophobicContact CZ-CB 4.03Å; E94-A98 VanDerWaalsContact O-CB 3.27Å; E94-A98 WeakPolarHBondContact O-CB 3.34Å; E94-A98 PolarHBondContact O-N 3.39Å; Y95-A98 PolarHBondContact O-N 3.05Å |
| 99 | F | 98.3 | Very high | 98.5 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 25% | 0.25 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 14.3 | -177.6 | -61.8 | -70.9 | 0 | 0 | 0 | 114 | K20 F73 Y95 A97 I101 | K20-F99 HydrophobicContact CG-CB 3.96Å; K20-F99 HydrophobicContact CG-CD1 4.17Å; K20-F99 HydrophobicContact CG-CD2 4.18Å; K20-F99 HydrophobicContact CG-CG 3.84Å; F73-F99 HydrophobicContact CB-CE2 4.04Å; F73-F99 AromaticContact CD2-CE2 3.78Å; F73-F99 HydrophobicContact CD2-CE2 3.78Å; F73-F99 HydrophobicContact CD2-CZ 4.26Å; F73-F99 HydrophobicContact CG-CE2 4.06Å; Y95-F99 AromaticContact CD2-CD2 3.54Å; Y95-F99 HydrophobicContact CD2-CD2 3.54Å; Y95-F99 AromaticContact CD2-CE2 3.43Å; Y95-F99 HydrophobicContact CD2-CE2 3.43Å; Y95-F99 VanDerWaalsContact CD2-CE2 3.43Å; Y95-F99 HydrophobicContact CE1-CD2 4.44Å; Y95-F99 AromaticContact CE2-CD2 3.45Å; Y95-F99 HydrophobicContact CE2-CD2 3.45Å; Y95-F99 VanDerWaalsContact CE2-CD2 3.45Å; Y95-F99 AromaticContact CE2-CE2 3.29Å; Y95-F99 HydrophobicContact CE2-CE2 3.29Å; Y95-F99 HydrophobicContact CE2-CZ 4.35Å; Y95-F99 HydrophobicContact CG-CD2 4.11Å; Y95-F99 HydrophobicContact CG-CE2 4.4Å; Y95-F99 AromaticContact CZ-CD2 3.94Å; Y95-F99 WeakPolarHBondContact O-CD2 3.47Å; Y95-F99 PolarHBondContact O-N 2.83Å; Y95-F99 VanDerWaalsContact O-N 3.14Å; A97-F99 VanDerWaalsContact C-N 3.25Å; A97-F99 PolarHBondContact O-N 3.22Å; F99-I101 HydrophobicContact CB-CD1 4.03Å; F99-I101 HydrophobicContact CB-CG1 3.94Å; F99-I101 PolarHBondContact O-N 3.06Å; F99-I101 VanDerWaalsContact O-N 3.14Å |
| 100 | N | 98 | Very high | 98.4 | Very high | 107 Ų | 107 | 51.7 Ų | 51.7 | 57% | 0.572 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 36.5 | 179.3 | -62.3 | -44.5 | 0 | 0 | 0 | 114.3 | V96 A97 K102 Q103 | V96-N100 PolarHBondContact O-N 3.24Å; V96-N100 VanDerWaalsContact O-N 3.16Å; A97-N100 PolarHBondContact O-N 2.88Å; N100-K102 VanDerWaalsContact C-N 3.35Å; N100-K102 PolarHBondContact O-N 2.65Å; N100-Q103 WeakPolarHBondContact O-CG 3.4Å |
| 101 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -70.1 | -33.8 | -173.8 | -68.6 | 169.1 | 0 | 0 | 0 | 111.5 | L16 V19 K20 Y95 V96 F99 Q103 H104 I105 | L16-I101 HydrophobicContact CD2-CG2 4.07Å; V19-I101 HydrophobicContact CB-CG2 3.96Å; V19-I101 HydrophobicContact CG1-CB 4.3Å; V19-I101 HydrophobicContact CG1-CG1 4.28Å; V19-I101 HydrophobicContact CG1-CG2 3.81Å; V19-I101 HydrophobicContact CG2-CG2 4.37Å; K20-I101 HydrophobicContact CB-CD1 3.89Å; K20-I101 HydrophobicContact CB-CG1 4.34Å; K20-I101 HydrophobicContact CG-CD1 4.42Å; Y95-I101 HydrophobicContact CD1-CD1 3.56Å; Y95-I101 HydrophobicContact CE1-CD1 3.33Å; V96-I101 HydrophobicContact CB-CB 4.33Å; V96-I101 HydrophobicContact CG1-CB 4.13Å; V96-I101 HydrophobicContact CG2-CB 4.13Å; V96-I101 HydrophobicContact CG2-CD1 4.33Å; V96-I101 HydrophobicContact CG2-CG2 4.1Å; V96-I101 PolarHBondContact O-N 3.05Å; F99-I101 HydrophobicContact CB-CD1 4.03Å; F99-I101 HydrophobicContact CB-CG1 3.94Å; F99-I101 PolarHBondContact O-N 3.06Å; F99-I101 VanDerWaalsContact O-N 3.14Å; I101-Q103 PolarHBondContact O-N 3.34Å; I101-Q103 VanDerWaalsContact O-N 3.13Å; I101-H104 WeakPolarHBondContact O-CB 3.49Å; I101-H104 PolarHBondContact O-N 2.87Å; I101-I105 HydrophobicContact CG2-CD1 4.04Å; I101-I105 HydrophobicContact CG2-CG1 4.44Å |
| 102 | K | 98.4 | Very high | 98.4 | Very high | 139 Ų | 139 | 51.2 Ų | 51.2 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -56.6 | -36.2 | -168.8 | -172.1 | 175.3 | 179.2 | 179.3 | 0 | 113.5 | V96 N100 H104 I105 F107 | V96-K102 HydrophobicContact CG1-CB 3.7Å; N100-K102 VanDerWaalsContact C-N 3.35Å; N100-K102 PolarHBondContact O-N 2.65Å; K102-H104 PolarHBondContact O-N 3.49Å; K102-I105 PolarHBondContact O-N 2.9Å; K102-I105 VanDerWaalsContact O-N 3.14Å; K102-F107 HydrophobicContact CG-CE2 4.47Å |
| 103 | Q | 98.2 | Very high | 98.4 | Very high | 144 Ų | 144 | 55.6 Ų | 55.6 | 67% | 0.673 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -68.1 | -13.7 | -178.4 | 72.7 | -163.2 | 8.3 | 0 | 0 | 113.7 | N100 I101 | N100-Q103 WeakPolarHBondContact O-CG 3.4Å; I101-Q103 PolarHBondContact O-N 3.34Å; I101-Q103 VanDerWaalsContact O-N 3.13Å |
| 104 | H | 98.6 | Very high | 98.3 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -97.8 | 4.7 | 177.3 | -60.1 | -77.5 | 0 | 0 | 0 | 112.4 | V19 P29 C31 I101 K102 | V19-H104 HydrophobicContact CG1-CB 3.75Å; P29-H104 HydrophobicContact CG-CB 4.38Å; P29-H104 PolarHBondContact O-ND1 3.11Å; C31-H104 WeakPolarHBondContact CB-O 3.44Å; C31-H104 PolarHBondContact N-O 3.15Å; I101-H104 WeakPolarHBondContact O-CB 3.49Å; I101-H104 PolarHBondContact O-N 2.87Å; K102-H104 PolarHBondContact O-N 3.49Å |
| 105 | I | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.9 | -179.2 | -53.7 | 174.6 | 0 | 0 | 0 | 109.8 | A11 L16 C31 E33 I38 I101 K102 F107 | A11-I105 HydrophobicContact CB-CD1 4.09Å; A11-I105 HydrophobicContact CB-CG2 4.05Å; L16-I105 HydrophobicContact CD2-CD1 3.92Å; C31-I105 HydrophobicContact CB-CG1 4.05Å; C31-I105 CarbonylContact O-C 3.58Å; C31-I105 VanDerWaalsContact O-CA 3.3Å; C31-I105 WeakPolarHBondContact O-CA 3.15Å; E33-I105 HydrophobicContact CB-CG2 4.03Å; I38-I105 HydrophobicContact CG2-CD1 3.64Å; I101-I105 HydrophobicContact CG2-CD1 4.04Å; I101-I105 HydrophobicContact CG2-CG1 4.44Å; K102-I105 PolarHBondContact O-N 2.9Å; K102-I105 VanDerWaalsContact O-N 3.14Å; I105-F107 HydrophobicContact CB-CE2 3.99Å; I105-F107 HydrophobicContact CB-CZ 3.98Å; I105-F107 HydrophobicContact CD1-CZ 4.19Å; I105-F107 HydrophobicContact CG2-CD1 3.94Å; I105-F107 HydrophobicContact CG2-CD2 4.1Å; I105-F107 HydrophobicContact CG2-CE1 3.61Å; I105-F107 HydrophobicContact CG2-CE2 3.8Å; I105-F107 HydrophobicContact CG2-CG 4.17Å; I105-F107 HydrophobicContact CG2-CZ 3.55Å |
| 106 | V | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 55 Ų | 55 | 38% | 0.382 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 106.5 | 170.5 | -164.7 | 0 | 0 | 0 | 0 | 107.7 | I30 C31 F32 E33 T109 | I30-V106 HydrophobicContact CG2-CG2 3.99Å; C31-V106 PolarHBondContact O-N 2.76Å; F32-V106 HydrophobicContact CD1-CB 4.11Å; F32-V106 HydrophobicContact CD1-CG2 4.43Å; F32-V106 HydrophobicContact CE1-CB 4.4Å; F32-V106 HydrophobicContact CE1-CG2 4.32Å; E33-V106 PolarHBondContact N-O 2.9Å; V106-T109 VanDerWaalsContact CG1-OG1 3.29Å; V106-T109 WeakPolarHBondContact CG1-OG1 3.43Å |
| 107 | F | 98.2 | Very high | 98.2 | Very high | 37 Ų | 37 | 55.3 Ų | 55.3 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 160.1 | -178.2 | -67 | -76.6 | 0 | 0 | 0 | 111.9 | E33 G35 D37 I38 K102 I105 T109 | E33-F107 HydrophobicContact CB-CD1 4Å; E33-F107 HydrophobicContact CB-CE1 4.39Å; E33-F107 HydrophobicContact CG-CD1 3.88Å; E33-F107 HydrophobicContact CG-CE1 4.2Å; E33-F107 CarbonylContact O-C 3.56Å; E33-F107 VanDerWaalsContact O-C 3.29Å; E33-F107 WeakPolarHBondContact O-CA 3.15Å; G35-F107 WeakPolarHBondContact O-CB 2.9Å; D37-F107 VanDerWaalsContact C-CE1 3.49Å; I38-F107 HydrophobicContact CG2-CE1 3.83Å; I38-F107 HydrophobicContact CG2-CZ 3.64Å; K102-F107 HydrophobicContact CG-CE2 4.47Å; I105-F107 HydrophobicContact CB-CE2 3.99Å; I105-F107 HydrophobicContact CB-CZ 3.98Å; I105-F107 HydrophobicContact CD1-CZ 4.19Å; I105-F107 HydrophobicContact CG2-CD1 3.94Å; I105-F107 HydrophobicContact CG2-CD2 4.1Å; I105-F107 HydrophobicContact CG2-CE1 3.61Å; I105-F107 HydrophobicContact CG2-CE2 3.8Å; I105-F107 HydrophobicContact CG2-CG 4.17Å; I105-F107 HydrophobicContact CG2-CZ 3.55Å; F107-T109 PolarHBondContact O-N 3.16Å; F107-T109 PolarHBondContact O-OG1 2.8Å |
| 108 | N | 97.5 | Very high | 98.1 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 56.6 | 35.7 | -177.2 | -56.3 | -111 | 0 | 0 | 0 | 111 | E33 G35 D36 D132 L133 R134 | E33-N108 PolarHBondContact O-N 3.33Å; G35-N108 PolarHBondContact O-N 3.09Å; D36-N108 WeakPolarHBondContact CA-ND2 3.47Å; N108-D132 CarbonylContact O-C 3.53Å; N108-D132 WeakPolarHBondContact O-CA 3.34Å; N108-L133 PolarHBondContact O-N 3.4Å; N108-R134 HydrophobicContact CB-CG 3.89Å; N108-R134 VanDerWaalsContact CG-CZ 3.47Å; N108-R134 PolarHBondContact ND2-NE 3.39Å; N108-R134 PolarHBondContact ND2-NH2 2.95Å; N108-R134 PolarHBondContact OD1-NE 3.15Å |
| 109 | T | 98.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 114.6 | -178.2 | -54 | 0 | 0 | 0 | 0 | 108.8 | F32 E33 R34 V106 F107 T130 E131 | F32-T109 HydrophobicContact CD1-CG2 3.62Å; F32-T109 HydrophobicContact CE1-CG2 4.23Å; F32-T109 HydrophobicContact CG-CG2 4.48Å; E33-T109 CarbonylContact C-O 3.57Å; E33-T109 VanDerWaalsContact C-O 3.27Å; E33-T109 PolarHBondContact O-N 2.91Å; R34-T109 WeakPolarHBondContact CA-O 3.27Å; R34-T109 PolarHBondContact N-O 3.2Å; V106-T109 VanDerWaalsContact CG1-OG1 3.29Å; V106-T109 WeakPolarHBondContact CG1-OG1 3.43Å; F107-T109 PolarHBondContact O-N 3.16Å; F107-T109 PolarHBondContact O-OG1 2.8Å; T109-T130 HydrophobicContact CG2-CG2 4.11Å; T109-E131 WeakPolarHBondContact CA-O 3.36Å |
| 110 | E | 97.4 | Very high | 97.8 | Very high | 72 Ų | 72 | 58.1 Ų | 58.1 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.4 | 174.5 | -179.3 | 157.7 | -134.2 | 0 | 0 | 109.8 | T112 T130 E131 L133 | E110-T112 HydrophobicContact CG-CG2 4.28Å; E110-T112 PolarHBondContact O-N 3.3Å; E110-T130 CarbonylContact O-C 3.56Å; E110-T130 WeakPolarHBondContact O-CA 3.45Å; E110-E131 PolarHBondContact N-O 3.18Å; E110-E131 PolarHBondContact O-N 3.36Å; E110-L133 HydrophobicContact CB-CD1 4.26Å; E110-L133 HydrophobicContact CB-CD2 3.92Å; E110-L133 HydrophobicContact CB-CG 4.2Å |
| 111 | V | 98.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.5 | 166.5 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | I9 F32 I114 V128 M129 T130 Y338 | I9-V111 HydrophobicContact CD1-CB 4.46Å; I9-V111 HydrophobicContact CD1-CG1 4.4Å; I9-V111 HydrophobicContact CD1-CG2 3.7Å; I9-V111 HydrophobicContact CG1-CG2 4.47Å; I9-V111 HydrophobicContact CG2-CB 4.1Å; I9-V111 HydrophobicContact CG2-CG2 3.96Å; F32-V111 HydrophobicContact CB-CG2 3.66Å; F32-V111 HydrophobicContact CD2-CG2 3.91Å; F32-V111 HydrophobicContact CG-CG2 3.91Å; V111-I114 HydrophobicContact CG1-CD1 3.81Å; V111-I114 HydrophobicContact CG1-CG1 3.67Å; V111-V128 HydrophobicContact CG1-CG1 3.87Å; V111-V128 HydrophobicContact CG2-CG1 4.27Å; V111-M129 WeakPolarHBondContact CA-O 3.4Å; V111-T130 HydrophobicContact CG2-CG2 4.11Å; V111-Y338 HydrophobicContact CG1-CG 4.43Å; V111-Y338 WeakPolarHBondContact O-CB 3.31Å |
| 112 | T | 97.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -29.5 | -174.4 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | E110 M129 E131 | E110-T112 HydrophobicContact CG-CG2 4.28Å; E110-T112 PolarHBondContact O-N 3.3Å; T112-M129 PolarHBondContact N-O 3.26Å; T112-M129 PolarHBondContact OG1-O 2.9Å; T112-E131 HydrophobicContact CG2-CB 3.81Å |
| 113 | K | 98.4 | Very high | 97.5 | Very high | 93 Ų | 93 | 58.9 Ų | 58.9 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 145 | 178 | -151.2 | 178.9 | -169.1 | -174.2 | 0 | 112 | E115 M129 Y338 | K113-E115 HydrophobicContact CD-CG 3.84Å; K113-E115 WeakPolarHBondContact CE-OE1 3.46Å; K113-E115 HydrophobicContact CG-CG 3.99Å; K113-E115 IonicContact NZ-OE1 2.86Å; K113-E115 PolarHBondContact NZ-OE1 3.28Å; K113-M129 HydrophobicContact CB-CB 4.11Å; K113-M129 HydrophobicContact CB-CG 4.3Å; K113-M129 HydrophobicContact CB-SD 3.97Å; K113-M129 HydrophobicContact CD-SD 4.26Å; K113-M129 PolarHBondContact N-O 3.44Å; K113-M129 PolarHBondContact O-N 3.41Å; K113-Y338 CarbonylContact C-O 3.55Å; K113-Y338 WeakPolarHBondContact CA-O 3.44Å |
| 114 | I | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.5 | 168.1 | -65.3 | 161 | 0 | 0 | 0 | 107.6 | I9 V111 W126 I127 V128 V146 L148 Y338 L339 | I9-I114 HydrophobicContact CD1-CD1 4.26Å; I9-I114 HydrophobicContact CG1-CD1 3.98Å; V111-I114 HydrophobicContact CG1-CD1 3.81Å; V111-I114 HydrophobicContact CG1-CG1 3.67Å; I114-W126 HydrophobicContact CG2-CB 4.36Å; I114-W126 HydrophobicContact CG2-CD2 4.34Å; I114-W126 HydrophobicContact CG2-CE3 3.79Å; I114-I127 VanDerWaalsContact CA-O 3.31Å; I114-I127 WeakPolarHBondContact CA-O 3.26Å; I114-V128 HydrophobicContact CG1-CG1 4.32Å; I114-V128 HydrophobicContact CG1-CG2 4.32Å; I114-V146 HydrophobicContact CD1-CG1 3.62Å; I114-V146 HydrophobicContact CG1-CG1 4.49Å; I114-V146 HydrophobicContact CG2-CG2 4.23Å; I114-L148 HydrophobicContact CD1-CD2 4.22Å; I114-Y338 HydrophobicContact CD1-CD2 3.61Å; I114-Y338 HydrophobicContact CD1-CE2 3.95Å; I114-Y338 HydrophobicContact CD1-CG 4.5Å; I114-Y338 HydrophobicContact CG1-CD2 4.36Å; I114-Y338 PolarHBondContact N-O 3Å; I114-L339 HydrophobicContact CB-CD2 3.7Å; I114-L339 HydrophobicContact CD1-CD2 4.38Å; I114-L339 HydrophobicContact CG2-CD2 3.94Å |
| 115 | E | 97.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 154.8 | -177.8 | -65.6 | -172.6 | 131.3 | 0 | 0 | 111.2 | K113 W126 I127 M129 | K113-E115 HydrophobicContact CD-CG 3.84Å; K113-E115 WeakPolarHBondContact CE-OE1 3.46Å; K113-E115 HydrophobicContact CG-CG 3.99Å; K113-E115 IonicContact NZ-OE1 2.86Å; K113-E115 PolarHBondContact NZ-OE1 3.28Å; E115-W126 CarbonylContact O-C 3.6Å; E115-W126 WeakPolarHBondContact O-CA 3.48Å; E115-I127 PolarHBondContact N-O 3.25Å; E115-I127 PolarHBondContact O-N 3.37Å; E115-M129 WeakPolarHBondContact OE2-CE 3.47Å |
| 116 | K | 97.3 | Very high | 97.3 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 140.8 | 168 | -68.1 | 179.7 | 176.8 | 178.8 | 0 | 109.3 | H120 W126 | K116-H120 HydrophobicContact CB-CB 3.66Å; K116-H120 HydrophobicContact CD-CB 4.43Å; K116-H120 HydrophobicContact CG-CB 4.12Å; K116-W126 HydrophobicContact CG-CE3 4.19Å; K116-W126 HydrophobicContact CG-CH2 4.08Å; K116-W126 HydrophobicContact CG-CZ3 3.65Å |
| 117 | T | 97.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 10% | 0.104 | 28% | 0.276 | C | S | . | . | trans | -69.3 | 161.9 | 163.3 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | S119 H120 E125 I127 V142 | T117-S119 PolarHBondContact O-N 2.68Å; T117-S119 VanDerWaalsContact O-N 3.15Å; T117-S119 PolarHBondContact OG1-OG 3.25Å; T117-H120 WeakPolarHBondContact O-CB 3.09Å; T117-H120 PolarHBondContact O-N 3.13Å; T117-H120 WeakPolarHBondContact OG1-CA 3.42Å; T117-H120 PolarHBondContact OG1-N 3.27Å; T117-H120 VanDerWaalsContact OG1-N 3.12Å; T117-E125 HydrophobicContact CG2-CB 3.96Å; T117-E125 PolarHBondContact N-O 3.25Å; T117-E125 PolarHBondContact OG1-O 3.32Å; T117-I127 HydrophobicContact CG2-CD1 4.38Å; T117-I127 HydrophobicContact CG2-CG1 3.69Å; T117-V142 HydrophobicContact CG2-CG1 3.94Å; T117-V142 HydrophobicContact CG2-CG2 4.4Å | ||
| 118 | D | 96.5 | Very high | 97.4 | Very high | 183 Ų | 183 | 48.8 Ų | 48.8 | 98% | 0.979 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.4 | 173.8 | -64.6 | -29.5 | 0 | 0 | 0 | 112.5 | ||
| 119 | S | 95.7 | Very high | 97.4 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 9.5 | 177.4 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | T117 D121 A122 T123 | T117-S119 PolarHBondContact O-N 2.68Å; T117-S119 VanDerWaalsContact O-N 3.15Å; T117-S119 PolarHBondContact OG1-OG 3.25Å; S119-D121 VanDerWaalsContact C-N 3.27Å; S119-D121 PolarHBondContact O-N 3.32Å; S119-A122 WeakPolarHBondContact O-CA 3.41Å; S119-A122 PolarHBondContact O-N 2.85Å; S119-T123 PolarHBondContact O-N 3.42Å; S119-T123 PolarHBondContact O-OG1 2.86Å; S119-T123 PolarHBondContact OG-OG1 3.43Å |
| 120 | H | 96.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.7 | -40.8 | -172.4 | 175 | 83.7 | 0 | 0 | 0 | 112.9 | K116 T117 A122 T123 G124 E125 W126 H364 | K116-H120 HydrophobicContact CB-CB 3.66Å; K116-H120 HydrophobicContact CD-CB 4.43Å; K116-H120 HydrophobicContact CG-CB 4.12Å; T117-H120 WeakPolarHBondContact O-CB 3.09Å; T117-H120 PolarHBondContact O-N 3.13Å; T117-H120 WeakPolarHBondContact OG1-CA 3.42Å; T117-H120 PolarHBondContact OG1-N 3.27Å; T117-H120 VanDerWaalsContact OG1-N 3.12Å; H120-A122 PolarHBondContact O-N 3.07Å; H120-A122 VanDerWaalsContact O-N 3.12Å; H120-T123 PolarHBondContact O-N 2.77Å; H120-G124 WeakPolarHBondContact O-CA 3.43Å; H120-G124 PolarHBondContact O-N 3Å; H120-E125 PolarHBondContact ND1-O 3.44Å; H120-W126 AromaticContact CE1-CE2 3.4Å; H120-W126 AromaticContact CE1-CH2 3.81Å; H120-W126 AromaticContact CE1-CZ2 3.27Å; H120-W126 WeakPolarHBondContact CE1-CZ2 3.28Å; H120-W126 AromaticContact CE1-NE1 3.75Å; H120-W126 AromaticContact ND1-CE2 3.93Å; H120-W126 AromaticContact NE2-CZ2 3.93Å; H120-H364 PolarHBondContact O-CD2 2.98Å; H120-H364 PolarHBondContact O-NE2 2.95Å |
| 121 | D | 95.7 | Very high | 97.5 | Very high | 114 Ų | 114 | 49 Ų | 49 | 61% | 0.61 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.2 | -24.6 | 179.7 | -71.7 | 8.9 | 0 | 0 | 0 | 112.5 | S119 P363 H364 | S119-D121 VanDerWaalsContact C-N 3.27Å; S119-D121 PolarHBondContact O-N 3.32Å; D121-P363 WeakPolarHBondContact OD1-CG 3.47Å; D121-H364 PolarHBondContact O-NE2 3.24Å |
| 122 | A | 96.5 | Very high | 97.5 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 69% | 0.694 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -97.3 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S119 H120 | S119-A122 WeakPolarHBondContact O-CA 3.41Å; S119-A122 PolarHBondContact O-N 2.85Å; H120-A122 PolarHBondContact O-N 3.07Å; H120-A122 VanDerWaalsContact O-N 3.12Å |
| 123 | T | 95.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -107.7 | -18.9 | -170 | 68.2 | 0 | 0 | 0 | 0 | 114.8 | S119 H120 E125 | S119-T123 PolarHBondContact O-N 3.42Å; S119-T123 PolarHBondContact O-OG1 2.86Å; S119-T123 PolarHBondContact OG-OG1 3.43Å; H120-T123 PolarHBondContact O-N 2.77Å; T123-E125 WeakPolarHBondContact CB-OE2 3.48Å; T123-E125 PolarHBondContact O-N 3.28Å; T123-E125 WeakPolarHBondContact OG1-CB 3.25Å; T123-E125 WeakPolarHBondContact OG1-CG 3.41Å; T123-E125 PolarHBondContact OG1-N 2.87Å; T123-E125 PolarHBondContact OG1-OE2 2.95Å |
| 124 | G | 96.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | 69.9 | 6.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H120 W126 H364 T367 | H120-G124 WeakPolarHBondContact O-CA 3.43Å; H120-G124 PolarHBondContact O-N 3Å; G124-W126 PolarHBondContact O-NE1 2.9Å; G124-W126 VanDerWaalsContact O-NE1 3.13Å; G124-H364 VanDerWaalsContact CA-CD2 3.43Å; G124-H364 WeakPolarHBondContact CA-CD2 3.44Å; G124-H364 PolarHBondContact N-CD2 3.22Å; G124-T367 PolarHBondContact O-OG1 2.95Å | ||
| 125 | E | 98.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 20% | 0.201 | 31% | 0.312 | C | S | . | . | trans | -77.4 | 155.9 | -173.9 | -68.8 | 171.9 | 136.9 | 0 | 0 | 113.3 | T117 H120 T123 V142 V143 Q144 | T117-E125 HydrophobicContact CG2-CB 3.96Å; T117-E125 PolarHBondContact N-O 3.25Å; T117-E125 PolarHBondContact OG1-O 3.32Å; H120-E125 PolarHBondContact ND1-O 3.44Å; T123-E125 WeakPolarHBondContact CB-OE2 3.48Å; T123-E125 PolarHBondContact O-N 3.28Å; T123-E125 WeakPolarHBondContact OG1-CB 3.25Å; T123-E125 WeakPolarHBondContact OG1-CG 3.41Å; T123-E125 PolarHBondContact OG1-N 2.87Å; T123-E125 PolarHBondContact OG1-OE2 2.95Å; E125-V142 HydrophobicContact CB-CG1 4.05Å; E125-V142 HydrophobicContact CG-CG1 4.48Å; E125-V143 WeakPolarHBondContact CA-O 3.07Å; E125-Q144 HydrophobicContact CG-CG 4.18Å; E125-Q144 PolarHBondContact OE1-NE2 3.5Å | ||
| 126 | W | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.9 | -175.9 | -60.5 | 88.6 | 0 | 0 | 0 | 111.1 | I114 E115 K116 H120 G124 V142 V143 V146 T343 L362 T367 M368 | I114-W126 HydrophobicContact CG2-CB 4.36Å; I114-W126 HydrophobicContact CG2-CD2 4.34Å; I114-W126 HydrophobicContact CG2-CE3 3.79Å; E115-W126 CarbonylContact O-C 3.6Å; E115-W126 WeakPolarHBondContact O-CA 3.48Å; K116-W126 HydrophobicContact CG-CE3 4.19Å; K116-W126 HydrophobicContact CG-CH2 4.08Å; K116-W126 HydrophobicContact CG-CZ3 3.65Å; H120-W126 AromaticContact CE1-CE2 3.4Å; H120-W126 AromaticContact CE1-CH2 3.81Å; H120-W126 AromaticContact CE1-CZ2 3.27Å; H120-W126 WeakPolarHBondContact CE1-CZ2 3.28Å; H120-W126 AromaticContact CE1-NE1 3.75Å; H120-W126 AromaticContact ND1-CE2 3.93Å; H120-W126 AromaticContact NE2-CZ2 3.93Å; G124-W126 PolarHBondContact O-NE1 2.9Å; G124-W126 VanDerWaalsContact O-NE1 3.13Å; W126-V142 WeakPolarHBondContact O-CA 3.48Å; W126-V143 HydrophobicContact CB-CG2 4.3Å; W126-V143 PolarHBondContact N-O 3.18Å; W126-V143 PolarHBondContact O-N 2.85Å; W126-V146 HydrophobicContact CB-CG2 3.6Å; W126-V146 HydrophobicContact CG-CG2 3.74Å; W126-T343 HydrophobicContact CH2-CG2 4.11Å; W126-T343 HydrophobicContact CZ3-CG2 4.29Å; W126-L362 HydrophobicContact CH2-CD1 4.34Å; W126-L362 HydrophobicContact CH2-CD2 4.41Å; W126-L362 HydrophobicContact CZ2-CD1 4.37Å; W126-T367 PolarHBondContact NE1-OG1 2.81Å; W126-M368 HydrophobicContact CH2-CE 4.13Å; W126-M368 HydrophobicContact CH2-SD 3.91Å; W126-M368 HydrophobicContact CZ2-CB 3.83Å; W126-M368 HydrophobicContact CZ2-CE 4.33Å; W126-M368 HydrophobicContact CZ2-CG 4.41Å; W126-M368 HydrophobicContact CZ2-SD 4.03Å; W126-M368 HydrophobicContact CZ3-SD 4.3Å |
| 127 | I | 98.5 | Very high | 97.3 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.9 | 167.3 | -53.7 | 175.6 | 0 | 0 | 0 | 107.4 | I114 E115 T117 M129 M141 V142 | I114-I127 VanDerWaalsContact CA-O 3.31Å; I114-I127 WeakPolarHBondContact CA-O 3.26Å; E115-I127 PolarHBondContact N-O 3.25Å; E115-I127 PolarHBondContact O-N 3.37Å; T117-I127 HydrophobicContact CG2-CD1 4.38Å; T117-I127 HydrophobicContact CG2-CG1 3.69Å; I127-M129 HydrophobicContact CG2-CE 4.09Å; I127-M129 HydrophobicContact CG2-CG 4.29Å; I127-M141 WeakPolarHBondContact CA-O 3.12Å; I127-V142 HydrophobicContact CG1-CG2 4.36Å |
| 128 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.6 | 174.6 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | A7 F32 V111 I114 T130 S140 M141 V143 V146 | A7-V128 HydrophobicContact CB-CG2 3.83Å; F32-V128 HydrophobicContact CD2-CG1 4.45Å; F32-V128 HydrophobicContact CE2-CG1 4.09Å; V111-V128 HydrophobicContact CG1-CG1 3.87Å; V111-V128 HydrophobicContact CG2-CG1 4.27Å; I114-V128 HydrophobicContact CG1-CG1 4.32Å; I114-V128 HydrophobicContact CG1-CG2 4.32Å; V128-T130 HydrophobicContact CG1-CG2 4.06Å; V128-S140 CarbonylContact O-C 3.49Å; V128-S140 VanDerWaalsContact O-CA 3.27Å; V128-S140 WeakPolarHBondContact O-CA 3.26Å; V128-M141 HydrophobicContact CB-CG 4.26Å; V128-M141 PolarHBondContact N-O 2.91Å; V128-M141 PolarHBondContact O-N 2.92Å; V128-V143 HydrophobicContact CG2-CG2 3.71Å; V128-V146 HydrophobicContact CG2-CG2 3.88Å |
| 129 | M | 98.8 | Very high | 97.4 | Very high | 56 Ų | 56 | 63 Ų | 63 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.6 | 176.8 | -56.7 | -177.7 | -166 | 0 | 0 | 109.7 | V111 T112 K113 E115 I127 S139 | V111-M129 WeakPolarHBondContact CA-O 3.4Å; T112-M129 PolarHBondContact N-O 3.26Å; T112-M129 PolarHBondContact OG1-O 2.9Å; K113-M129 HydrophobicContact CB-CB 4.11Å; K113-M129 HydrophobicContact CB-CG 4.3Å; K113-M129 HydrophobicContact CB-SD 3.97Å; K113-M129 HydrophobicContact CD-SD 4.26Å; K113-M129 PolarHBondContact N-O 3.44Å; K113-M129 PolarHBondContact O-N 3.41Å; E115-M129 WeakPolarHBondContact OE2-CE 3.47Å; I127-M129 HydrophobicContact CG2-CE 4.09Å; I127-M129 HydrophobicContact CG2-CG 4.29Å; M129-S139 WeakPolarHBondContact CA-O 3.29Å |
| 130 | T | 98.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 64.5 Ų | 64.5 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 153.3 | -174.9 | 65.4 | 0 | 0 | 0 | 0 | 112 | F32 T109 E110 V111 V128 K138 S139 | F32-T130 HydrophobicContact CD1-CG2 3.98Å; F32-T130 HydrophobicContact CD2-CG2 4.41Å; F32-T130 HydrophobicContact CE1-CG2 3.83Å; F32-T130 HydrophobicContact CE2-CG2 4.28Å; F32-T130 HydrophobicContact CG-CG2 4.26Å; F32-T130 HydrophobicContact CZ-CG2 3.97Å; T109-T130 HydrophobicContact CG2-CG2 4.11Å; E110-T130 CarbonylContact O-C 3.56Å; E110-T130 WeakPolarHBondContact O-CA 3.45Å; V111-T130 HydrophobicContact CG2-CG2 4.11Å; V128-T130 HydrophobicContact CG1-CG2 4.06Å; T130-K138 CarbonylContact O-C 3.12Å; T130-K138 WeakPolarHBondContact O-CA 3.26Å; T130-S139 PolarHBondContact N-O 3.46Å; T130-S139 PolarHBondContact O-N 3Å |
| 131 | E | 98.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 66.7 Ų | 66.7 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.6 | 172.8 | -175.1 | 163.8 | 179.7 | 0 | 0 | 109.5 | T109 E110 T112 L133 E137 K138 | T109-E131 WeakPolarHBondContact CA-O 3.36Å; E110-E131 PolarHBondContact N-O 3.18Å; E110-E131 PolarHBondContact O-N 3.36Å; T112-E131 HydrophobicContact CG2-CB 3.81Å; E131-L133 PolarHBondContact O-N 3.18Å; E131-E137 WeakPolarHBondContact CA-O 3.5Å; E131-K138 HydrophobicContact CB-CG 4.47Å; E131-K138 HydrophobicContact CG-CG 4.32Å; E131-K138 WeakPolarHBondContact OE2-CE 3.48Å; E131-K138 IonicContact OE2-NZ 2.64Å |
| 132 | D | 98.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 117 | 170.2 | -177.6 | -52.1 | 0 | 0 | 0 | 108.6 | N108 R134 T135 N136 E137 | N108-D132 CarbonylContact O-C 3.53Å; N108-D132 WeakPolarHBondContact O-CA 3.34Å; D132-R134 PolarHBondContact O-N 2.99Å; D132-R134 WeakPolarHBondContact OD1-CA 3.49Å; D132-R134 VanDerWaalsContact OD1-CB 3.24Å; D132-R134 WeakPolarHBondContact OD1-CB 3.48Å; D132-R134 PolarHBondContact OD1-N 2.95Å; D132-T135 WeakPolarHBondContact CB-OG1 3.5Å; D132-T135 PolarHBondContact O-N 3.28Å; D132-T135 PolarHBondContact OD1-N 2.96Å; D132-N136 WeakPolarHBondContact O-CA 3.35Å; D132-N136 PolarHBondContact O-N 3.09Å; D132-E137 PolarHBondContact N-O 2.88Å |
| 133 | L | 96.3 | Very high | 97.9 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.5 | -174.4 | -61.2 | 179.1 | 0 | 0 | 0 | 113.8 | R34 N108 E110 E131 | R34-L133 HydrophobicContact CB-CD1 4.13Å; R34-L133 WeakPolarHBondContact O-CD1 3.29Å; N108-L133 PolarHBondContact O-N 3.4Å; E110-L133 HydrophobicContact CB-CD1 4.26Å; E110-L133 HydrophobicContact CB-CD2 3.92Å; E110-L133 HydrophobicContact CB-CG 4.2Å; E131-L133 PolarHBondContact O-N 3.18Å |
| 134 | R | 96.5 | Very high | 98 | Very high | 164 Ų | 164 | 58.9 Ų | 58.9 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -37.5 | 174.7 | -57.7 | 165.9 | 174.2 | 168.3 | -7 | 111 | N108 D132 | N108-R134 HydrophobicContact CB-CG 3.89Å; N108-R134 VanDerWaalsContact CG-CZ 3.47Å; N108-R134 PolarHBondContact ND2-NE 3.39Å; N108-R134 PolarHBondContact ND2-NH2 2.95Å; N108-R134 PolarHBondContact OD1-NE 3.15Å; D132-R134 PolarHBondContact O-N 2.99Å; D132-R134 WeakPolarHBondContact OD1-CA 3.49Å; D132-R134 VanDerWaalsContact OD1-CB 3.24Å; D132-R134 WeakPolarHBondContact OD1-CB 3.48Å; D132-R134 PolarHBondContact OD1-N 2.95Å |
| 135 | T | 97.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -15.1 | -175.5 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | D132 E137 | D132-T135 WeakPolarHBondContact CB-OG1 3.5Å; D132-T135 PolarHBondContact O-N 3.28Å; D132-T135 PolarHBondContact OD1-N 2.96Å; T135-E137 PolarHBondContact O-N 3.44Å; T135-E137 VanDerWaalsContact OG1-CB 3.26Å; T135-E137 WeakPolarHBondContact OG1-CB 3.42Å; T135-E137 PolarHBondContact OG1-N 3.48Å |
| 136 | N | 97 | Very high | 98.1 | Very high | 108 Ų | 108 | 56.9 Ų | 56.9 | 58% | 0.578 | 29% | 0.292 | S | S | * | . | trans | 57.5 | 20.7 | -166.3 | -50.2 | -68 | 0 | 0 | 0 | 113.5 | D132 K138 | D132-N136 WeakPolarHBondContact O-CA 3.35Å; D132-N136 PolarHBondContact O-N 3.09Å; N136-K138 PolarHBondContact O-N 3.44Å | ||
| 137 | E | 98.2 | Very high | 98.1 | Very high | 123 Ų | 123 | 56.9 Ų | 56.9 | 58% | 0.575 | 29% | 0.292 | S | S | * | . | trans | -72.3 | 127.7 | 176.2 | -175.6 | 176.6 | 175 | 0 | 0 | 110 | E131 D132 T135 | E131-E137 WeakPolarHBondContact CA-O 3.5Å; D132-E137 PolarHBondContact N-O 2.88Å; T135-E137 PolarHBondContact O-N 3.44Å; T135-E137 VanDerWaalsContact OG1-CB 3.26Å; T135-E137 WeakPolarHBondContact OG1-CB 3.42Å; T135-E137 PolarHBondContact OG1-N 3.48Å | ||
| 138 | K | 98.5 | Very high | 98.1 | Very high | 153 Ų | 153 | 54.8 Ų | 54.8 | 67% | 0.665 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.9 | 177 | -64.8 | -175.7 | 178.2 | -175.2 | 0 | 110 | T130 E131 N136 | T130-K138 CarbonylContact O-C 3.12Å; T130-K138 WeakPolarHBondContact O-CA 3.26Å; E131-K138 HydrophobicContact CB-CG 4.47Å; E131-K138 HydrophobicContact CG-CG 4.32Å; E131-K138 WeakPolarHBondContact OE2-CE 3.48Å; E131-K138 IonicContact OE2-NZ 2.64Å; N136-K138 PolarHBondContact O-N 3.44Å |
| 139 | S | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 55 Ų | 55 | 44% | 0.441 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159.1 | 178.1 | -76.6 | 0 | 0 | 0 | 0 | 110.2 | M129 T130 | M129-S139 WeakPolarHBondContact CA-O 3.29Å; T130-S139 PolarHBondContact N-O 3.46Å; T130-S139 PolarHBondContact O-N 3Å |
| 140 | S | 98.2 | Very high | 98 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151 | 172.1 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | V128 | V128-S140 CarbonylContact O-C 3.49Å; V128-S140 VanDerWaalsContact O-CA 3.27Å; V128-S140 WeakPolarHBondContact O-CA 3.26Å |
| 141 | M | 98.1 | Very high | 97.7 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 152.5 | 176.5 | 65.6 | 176.6 | -57.6 | 0 | 0 | 111.6 | I30 F32 I127 V128 V143 | I30-M141 HydrophobicContact CD1-CE 3.45Å; I30-M141 VanDerWaalsContact CD1-CE 3.45Å; I30-M141 HydrophobicContact CD1-SD 4.13Å; F32-M141 HydrophobicContact CE2-SD 4.26Å; F32-M141 HydrophobicContact CZ-SD 3.73Å; I127-M141 WeakPolarHBondContact CA-O 3.12Å; V128-M141 HydrophobicContact CB-CG 4.26Å; V128-M141 PolarHBondContact N-O 2.91Å; V128-M141 PolarHBondContact O-N 2.92Å; M141-V143 HydrophobicContact CE-CG1 3.43Å; M141-V143 VanDerWaalsContact CE-CG1 3.43Å; M141-V143 HydrophobicContact CG-CG1 4.26Å; M141-V143 HydrophobicContact SD-CG1 4.16Å |
| 142 | V | 98.3 | Very high | 97.4 | Very high | 55 Ų | 55 | 55.5 Ų | 55.5 | 33% | 0.333 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.1 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | R5 T117 E125 W126 I127 | R5-V142 PolarHBondContact NH2-O 2.96Å; T117-V142 HydrophobicContact CG2-CG1 3.94Å; T117-V142 HydrophobicContact CG2-CG2 4.4Å; E125-V142 HydrophobicContact CB-CG1 4.05Å; E125-V142 HydrophobicContact CG-CG1 4.48Å; W126-V142 WeakPolarHBondContact O-CA 3.48Å; I127-V142 HydrophobicContact CG1-CG2 4.36Å |
| 143 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 155.5 | 178.1 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | R5 A7 E125 W126 V128 M141 A145 V146 | R5-V143 HydrophobicContact CB-CB 4.5Å; R5-V143 HydrophobicContact CB-CG1 4.26Å; A7-V143 HydrophobicContact CB-CG1 4.23Å; A7-V143 HydrophobicContact CB-CG2 3.91Å; E125-V143 WeakPolarHBondContact CA-O 3.07Å; W126-V143 HydrophobicContact CB-CG2 4.3Å; W126-V143 PolarHBondContact N-O 3.18Å; W126-V143 PolarHBondContact O-N 2.85Å; V128-V143 HydrophobicContact CG2-CG2 3.71Å; M141-V143 HydrophobicContact CE-CG1 3.43Å; M141-V143 VanDerWaalsContact CE-CG1 3.43Å; M141-V143 HydrophobicContact CG-CG1 4.26Å; M141-V143 HydrophobicContact SD-CG1 4.16Å; V143-A145 WeakPolarHBondContact CG2-O 3.29Å; V143-V146 HydrophobicContact CG2-CG2 3.74Å |
| 144 | Q | 98.2 | Very high | 96.7 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -82.3 | -19.6 | 179.5 | -69.6 | 80.4 | 18.6 | 0 | 0 | 113.3 | M4 R5 E125 T367 | M4-Q144 HydrophobicContact CG-CB 4.36Å; M4-Q144 HydrophobicContact SD-CB 3.18Å; M4-Q144 WeakPolarHBondContact SD-CB 3.33Å; M4-Q144 HydrophobicContact SD-CG 3.76Å; R5-Q144 VanDerWaalsContact CB-OE1 3.31Å; R5-Q144 PolarHBondContact O-N 3.17Å; R5-Q144 VanDerWaalsContact O-N 3.08Å; R5-Q144 PolarHBondContact O-OE1 3.13Å; E125-Q144 HydrophobicContact CG-CG 4.18Å; E125-Q144 PolarHBondContact OE1-NE2 3.5Å; Q144-T367 WeakPolarHBondContact O-CB 3.22Å; Q144-T367 WeakPolarHBondContact O-CG2 3.38Å |
| 145 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 156.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R5 V6 A7 V143 F147 T367 L395 | R5-A145 PolarHBondContact O-N 2.74Å; V6-A145 WeakPolarHBondContact CA-O 3.38Å; V6-A145 HydrophobicContact CG1-CB 4.28Å; V6-A145 HydrophobicContact CG2-CB 4.33Å; A7-A145 PolarHBondContact N-O 3.41Å; V143-A145 WeakPolarHBondContact CG2-O 3.29Å; A145-F147 HydrophobicContact CB-CE1 4.25Å; A145-T367 CarbonylContact C-O 3.57Å; A145-T367 WeakPolarHBondContact CA-O 3.41Å; A145-T367 WeakPolarHBondContact CB-O 3.25Å; A145-L395 HydrophobicContact CB-CD1 4.01Å; A145-L395 HydrophobicContact CB-CD2 3.63Å |
| 146 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 114.9 | 179.4 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | A7 I9 I114 W126 V128 V143 L148 T367 M368 | A7-V146 HydrophobicContact CB-CG2 4.34Å; A7-V146 CarbonylContact O-C 3.59Å; A7-V146 VanDerWaalsContact O-CA 3.3Å; A7-V146 WeakPolarHBondContact O-CA 3.31Å; I9-V146 HydrophobicContact CD1-CG1 4.12Å; I9-V146 HydrophobicContact CG1-CG1 3.98Å; I114-V146 HydrophobicContact CD1-CG1 3.62Å; I114-V146 HydrophobicContact CG1-CG1 4.49Å; I114-V146 HydrophobicContact CG2-CG2 4.23Å; W126-V146 HydrophobicContact CB-CG2 3.6Å; W126-V146 HydrophobicContact CG-CG2 3.74Å; V128-V146 HydrophobicContact CG2-CG2 3.88Å; V143-V146 HydrophobicContact CG2-CG2 3.74Å; V146-L148 HydrophobicContact CG1-CD2 3.92Å; V146-T367 PolarHBondContact N-O 3.26Å; V146-M368 HydrophobicContact CB-CG 4.39Å; V146-M368 VanDerWaalsContact O-CA 3.28Å; V146-M368 WeakPolarHBondContact O-CA 3.27Å |
| 147 | F | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121 | 178.6 | -74 | 27.2 | 0 | 0 | 0 | 109.6 | V6 A7 I8 I9 A18 A145 C149 P369 I371 A391 L395 | V6-F147 HydrophobicContact CG1-CD1 3.56Å; V6-F147 HydrophobicContact CG1-CE1 3.71Å; V6-F147 HydrophobicContact CG1-CG 4.04Å; V6-F147 HydrophobicContact CG1-CZ 4.28Å; A7-F147 PolarHBondContact O-N 2.83Å; I8-F147 HydrophobicContact CG1-CB 4.15Å; I9-F147 PolarHBondContact N-O 2.83Å; A18-F147 HydrophobicContact CB-CD2 3.94Å; A145-F147 HydrophobicContact CB-CE1 4.25Å; F147-C149 PolarHBondContact O-N 2.93Å; F147-P369 HydrophobicContact CB-CG 4.4Å; F147-P369 HydrophobicContact CD1-CG 3.34Å; F147-P369 HydrophobicContact CD2-CG 4.14Å; F147-P369 HydrophobicContact CE1-CG 3.5Å; F147-P369 HydrophobicContact CE2-CG 4.28Å; F147-P369 HydrophobicContact CG-CG 3.7Å; F147-P369 HydrophobicContact CZ-CG 3.99Å; F147-I371 HydrophobicContact CD2-CG1 4.38Å; F147-A391 HydrophobicContact CE1-CB 4.43Å; F147-A391 HydrophobicContact CE2-CB 3.74Å; F147-A391 HydrophobicContact CZ-CB 3.64Å; F147-L395 HydrophobicContact CE1-CD2 4.23Å; F147-L395 HydrophobicContact CZ-CD2 4.47Å |
| 148 | L | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 96.6 | -176.7 | -54.2 | 178.2 | 0 | 0 | 0 | 109.9 | I9 I114 V146 F336 Y338 L339 I344 M368 P369 V370 I371 | I9-L148 HydrophobicContact CG1-CD2 4.16Å; I114-L148 HydrophobicContact CD1-CD2 4.22Å; V146-L148 HydrophobicContact CG1-CD2 3.92Å; L148-F336 HydrophobicContact CB-CE1 4.24Å; L148-F336 HydrophobicContact CD1-CD1 4.19Å; L148-F336 HydrophobicContact CD1-CE1 4.09Å; L148-Y338 HydrophobicContact CD2-CE2 3.76Å; L148-L339 HydrophobicContact CD1-CD1 3.63Å; L148-L339 HydrophobicContact CD2-CD1 4.47Å; L148-I344 HydrophobicContact CD1-CD1 3.45Å; L148-I344 VanDerWaalsContact CD1-CD1 3.45Å; L148-M368 HydrophobicContact CD1-CG 3.95Å; L148-M368 HydrophobicContact CD1-SD 3.98Å; L148-M368 HydrophobicContact CG-CG 4.13Å; L148-P369 PolarHBondContact N-O 3.4Å; L148-V370 HydrophobicContact CB-CG2 4.31Å; L148-V370 HydrophobicContact CD1-CG2 3.9Å; L148-I371 PolarHBondContact O-N 3.19Å |
| 149 | C | 98.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | trans | -112.7 | 22.8 | -171.4 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | I8 I9 F147 | I8-C149 HydrophobicContact CG2-CB 4.24Å; I9-C149 CarbonylContact O-C 3.42Å; I9-C149 VanDerWaalsContact O-CA 3.22Å; I9-C149 WeakPolarHBondContact O-CA 3.39Å; I9-C149 VanDerWaalsContact O-CB 3.23Å; I9-C149 WeakPolarHBondContact O-CB 3.4Å; I9-C149 PolarHBondContact O-N 3.36Å; F147-C149 PolarHBondContact O-N 2.93Å | ||
| 150 | T | 95.5 | Very high | 95.7 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 37% | 0.368 | 24% | 0.239 | S | C | . | . | trans | -81.2 | -13.9 | -169.6 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | I9 Y338 | I9-T150 HydrophobicContact CB-CG2 4.06Å; I9-T150 HydrophobicContact CG2-CG2 3.58Å; I9-T150 WeakPolarHBondContact O-CG2 3.48Å; I9-T150 PolarHBondContact O-N 3.18Å; T150-Y338 HydrophobicContact CG2-CE1 3.95Å; T150-Y338 WeakPolarHBondContact CG2-OH 3.04Å; T150-Y338 PolarHBondContact OG1-OH 3.25Å | ||
| 151 | G | 92.7 | Very high | 95.6 | Very high | 32 Ų | 32 | 40 Ų | 40 | 33% | 0.33 | 22% | 0.217 | S | C | . | . | trans | 66.1 | -164.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 152 | H | 92.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 13% | 0.125 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -136.5 | 17.5 | -174.4 | 65.6 | -77.4 | 0 | 0 | 0 | 113.9 | Y332 I334 L373 | H152-Y332 WeakPolarHBondContact O-CB 3.43Å; H152-I334 HydrophobicContact CB-CG1 3.94Å; H152-L373 HydrophobicContact CB-CD1 3.6Å |
| 153 | H | 90.1 | Very high | 95.5 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 28% | 0.282 | 23% | 0.228 | S | C | . | . | trans | -101.7 | 18.8 | -177.4 | -62.1 | -54.5 | 0 | 0 | 0 | 113.2 | L41 G53 Y332 | L41-H153 HydrophobicContact CD1-CB 4.2Å; G53-H153 VanDerWaalsContact CA-O 3.32Å; G53-H153 WeakPolarHBondContact CA-O 3.39Å; H153-Y332 VanDerWaalsContact C-CD1 3.48Å; H153-Y332 HydrophobicContact CB-CD1 4.49Å; H153-Y332 HydrophobicContact CB-CD2 4.44Å; H153-Y332 HydrophobicContact CB-CE1 4.41Å; H153-Y332 HydrophobicContact CB-CE2 4.37Å; H153-Y332 AromaticContact ND1-CD2 3.41Å; H153-Y332 WeakPolarHBondContact ND1-CD2 3.49Å; H153-Y332 AromaticContact ND1-CE2 3.7Å; H153-Y332 WeakPolarHBondContact O-CD1 3.36Å; H153-Y332 WeakPolarHBondContact O-CE1 3.31Å | ||
| 154 | G | 89.3 | Confident | 95.5 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -90.5 | -35.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G51 P156 | G51-G154 CarbonylContact C-O 3.52Å; G51-G154 VanDerWaalsContact CA-O 3.32Å; G51-G154 WeakPolarHBondContact CA-O 3.29Å; G51-G154 WeakPolarHBondContact O-CA 3.4Å; G154-P156 WeakPolarHBondContact O-CD 3.37Å |
| 155 | S | 93.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 101.2 | -173.5 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | Y332 E333 T335 | S155-Y332 CarbonylContact O-C 3.47Å; S155-Y332 WeakPolarHBondContact O-CA 3.38Å; S155-Y332 WeakPolarHBondContact O-CB 3.26Å; S155-Y332 WeakPolarHBondContact O-CD1 3.43Å; S155-E333 PolarHBondContact O-N 3.48Å; S155-T335 PolarHBondContact OG-OG1 2.88Å; S155-T335 VanDerWaalsContact OG-OG1 3.05Å |
| 156 | P | 95.2 | Very high | 95.3 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 28% | 0.279 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 137.2 | 179.2 | -26.4 | 38.1 | 0 | 0 | 0 | 113.1 | G154 H174 H176 | G154-P156 WeakPolarHBondContact O-CD 3.37Å; P156-H174 HydrophobicContact CB-CB 4.03Å; P156-H176 HydrophobicContact CB-CB 4.44Å; P156-H176 HydrophobicContact CG-CB 3.69Å |
| 157 | Y | 94.6 | Very high | 95.1 | Very high | 96 Ų | 96 | 53.2 Ų | 53.2 | 38% | 0.376 | 29% | 0.288 | S | S | . | . | trans | -92.6 | 111.6 | 168.9 | 175.6 | -109.6 | 0 | 0 | 0 | 110.1 | P159 T330 G331 E333 | Y157-P159 HydrophobicContact CE1-CB 4Å; Y157-P159 HydrophobicContact CE1-CG 4.44Å; Y157-P159 WeakPolarHBondContact O-CD 3.46Å; Y157-T330 WeakPolarHBondContact O-CB 3.4Å; Y157-T330 PolarHBondContact O-OG1 3.19Å; Y157-G331 PolarHBondContact N-O 3.41Å; Y157-E333 HydrophobicContact CD2-CG 4.15Å | ||
| 158 | I | 94.8 | Very high | 95 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 43% | 0.431 | 29% | 0.292 | S | S | . | . | trans | -105.2 | 104.2 | 178.8 | -58.8 | 179.2 | 0 | 0 | 0 | 108.8 | L328 | I158-L328 HydrophobicContact CG2-CD1 3.87Š| ||
| 159 | P | 93.5 | Very high | 95 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 12% | 0.117 | 32% | 0.318 | C | S | . | . | trans | -70.1 | 151.4 | 177.5 | 28.3 | -34.9 | 0 | 0 | 0 | 112.3 | Y157 L161 Q165 T330 | Y157-P159 HydrophobicContact CE1-CB 4Å; Y157-P159 HydrophobicContact CE1-CG 4.44Å; Y157-P159 WeakPolarHBondContact O-CD 3.46Å; P159-L161 HydrophobicContact CB-CD2 4.45Å; P159-L161 HydrophobicContact CB-CG 4.44Å; P159-L161 HydrophobicContact CG-CD1 4.33Å; P159-L161 HydrophobicContact CG-CD2 4.38Å; P159-L161 HydrophobicContact CG-CG 4.12Å; P159-L161 PolarHBondContact O-N 2.78Å; P159-Q165 PolarHBondContact O-NE2 2.81Å; P159-T330 WeakPolarHBondContact CD-OG1 3.46Å; P159-T330 HydrophobicContact CG-CG2 3.78Å | ||
| 160 | E | 94 | Very high | 94.9 | Very high | 188 Ų | 188 | 60.6 Ų | 60.6 | 88% | 0.879 | 33% | 0.328 | S | S | * | . | trans | -74.5 | 101.9 | 167.3 | -65.8 | -172.5 | 173.5 | 0 | 0 | 109.4 | ||||
| 161 | L | 96.1 | Very high | 95 | Very high | 31 Ų | 31 | 64 Ų | 64 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | trans | -104.1 | 125.8 | 176.6 | -63.5 | 177.7 | 0 | 0 | 0 | 108.7 | P159 G163 L164 Q165 I304 F307 L328 | P159-L161 HydrophobicContact CB-CD2 4.45Å; P159-L161 HydrophobicContact CB-CG 4.44Å; P159-L161 HydrophobicContact CG-CD1 4.33Å; P159-L161 HydrophobicContact CG-CD2 4.38Å; P159-L161 HydrophobicContact CG-CG 4.12Å; P159-L161 PolarHBondContact O-N 2.78Å; L161-G163 PolarHBondContact O-N 3.49Å; L161-L164 HydrophobicContact CB-CB 3.97Å; L161-L164 HydrophobicContact CB-CD2 4.18Å; L161-L164 HydrophobicContact CD1-CD2 3.98Å; L161-L164 HydrophobicContact CG-CD2 4.5Å; L161-L164 WeakPolarHBondContact O-CB 3.25Å; L161-L164 PolarHBondContact O-N 3.02Å; L161-Q165 PolarHBondContact O-OE1 2.62Å; L161-I304 HydrophobicContact CD1-CD1 4.22Å; L161-F307 HydrophobicContact CB-CD2 4.33Å; L161-F307 HydrophobicContact CB-CE2 3.95Å; L161-F307 HydrophobicContact CD1-CE2 4.04Å; L161-L328 HydrophobicContact CD1-CD2 3.89Å | ||
| 162 | K | 97.6 | Very high | 95.2 | Very high | 158 Ų | 158 | 66.4 Ų | 66.4 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 116.3 | -174.4 | -178.1 | 175.3 | 173.8 | -171.9 | 0 | 111 | S306 F307 | K162-S306 CarbonylContact O-C 3.53Å; K162-S306 WeakPolarHBondContact O-CA 3.32Å; K162-F307 PolarHBondContact O-N 3.19Å |
| 163 | G | 97.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -12.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L161 T166 S167 F168 | L161-G163 PolarHBondContact O-N 3.49Å; G163-T166 WeakPolarHBondContact CA-OG1 3.42Å; G163-S167 VanDerWaalsContact CA-OG 3.26Å; G163-S167 WeakPolarHBondContact CA-OG 3.29Å; G163-S167 PolarHBondContact O-N 2.64Å; G163-S167 PolarHBondContact O-OG 3.26Å; G163-F168 PolarHBondContact O-N 2.72Å |
| 164 | L | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -54.4 | -176.2 | -179.8 | 60.5 | 0 | 0 | 0 | 111.7 | L161 T166 F168 F172 F307 V326 L328 | L161-L164 HydrophobicContact CB-CB 3.97Å; L161-L164 HydrophobicContact CB-CD2 4.18Å; L161-L164 HydrophobicContact CD1-CD2 3.98Å; L161-L164 HydrophobicContact CG-CD2 4.5Å; L161-L164 WeakPolarHBondContact O-CB 3.25Å; L161-L164 PolarHBondContact O-N 3.02Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-F168 HydrophobicContact CD1-CB 4.38Å; L164-F168 HydrophobicContact CD1-CD1 3.84Å; L164-F168 HydrophobicContact CD1-CE1 4.46Å; L164-F168 HydrophobicContact CD1-CG 4.28Å; L164-F168 WeakPolarHBondContact O-CB 3.46Å; L164-F172 HydrophobicContact CD1-CB 3.82Å; L164-F172 HydrophobicContact CD1-CD1 4.27Å; L164-F172 HydrophobicContact CD1-CG 4.05Å; L164-F172 HydrophobicContact CD2-CD2 4.29Å; L164-F172 HydrophobicContact CD2-CG 4.36Å; L164-F172 HydrophobicContact CG-CB 4.38Å; L164-F172 HydrophobicContact CG-CD1 4.32Å; L164-F172 HydrophobicContact CG-CD2 4.45Å; L164-F172 HydrophobicContact CG-CG 4.13Å; L164-F307 HydrophobicContact CB-CD2 3.58Å; L164-F307 HydrophobicContact CB-CE2 3.77Å; L164-F307 HydrophobicContact CB-CG 4.15Å; L164-F307 HydrophobicContact CD1-CD1 4.11Å; L164-F307 HydrophobicContact CD1-CD2 4.19Å; L164-F307 HydrophobicContact CD1-CE1 3.94Å; L164-F307 HydrophobicContact CD1-CE2 3.98Å; L164-F307 HydrophobicContact CD1-CG 4.23Å; L164-F307 HydrophobicContact CD1-CZ 3.85Å; L164-F307 HydrophobicContact CD2-CE2 4.2Å; L164-F307 HydrophobicContact CD2-CZ 4.44Å; L164-F307 HydrophobicContact CG-CD2 4.39Å; L164-F307 HydrophobicContact CG-CE2 4.21Å; L164-V326 HydrophobicContact CD1-CB 4.24Å; L164-V326 HydrophobicContact CD1-CG1 4.28Å; L164-V326 HydrophobicContact CD1-CG2 4.12Å; L164-L328 HydrophobicContact CD2-CD1 4.17Å; L164-L328 HydrophobicContact CD2-CD2 4.06Å |
| 165 | Q | 96 | Very high | 96.2 | Very high | 83 Ų | 83 | 64.1 Ų | 64.1 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.7 | -178.9 | -64.4 | 88.4 | -17.8 | 0 | 0 | 113.3 | P159 L161 F172 | P159-Q165 PolarHBondContact O-NE2 2.81Å; L161-Q165 PolarHBondContact O-OE1 2.62Å; Q165-F172 HydrophobicContact CG-CE1 4.49Å; Q165-F172 HydrophobicContact CG-CZ 3.98Å |
| 166 | T | 95.8 | Very high | 96.3 | Very high | 127 Ų | 127 | 63 Ų | 63 | 78% | 0.779 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -31.6 | -169.1 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | G163 L164 | G163-T166 WeakPolarHBondContact CA-OG1 3.42Å; L164-T166 VanDerWaalsContact C-N 3.33Å |
| 167 | S | 94.7 | Very high | 96.3 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | -26.9 | -169.7 | 67.4 | 0 | 0 | 0 | 0 | 115 | G163 E169 K309 | G163-S167 VanDerWaalsContact CA-OG 3.26Å; G163-S167 WeakPolarHBondContact CA-OG 3.29Å; G163-S167 PolarHBondContact O-N 2.64Å; G163-S167 PolarHBondContact O-OG 3.26Å; S167-E169 PolarHBondContact O-N 3.25Å; S167-K309 WeakPolarHBondContact O-CA 3.38Å |
| 168 | F | 98.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | trans | -66.8 | 122.4 | 180 | -177.9 | -112.3 | 0 | 0 | 0 | 110.4 | G163 L164 G170 F307 I323 V326 | G163-F168 PolarHBondContact O-N 2.72Å; L164-F168 HydrophobicContact CD1-CB 4.38Å; L164-F168 HydrophobicContact CD1-CD1 3.84Å; L164-F168 HydrophobicContact CD1-CE1 4.46Å; L164-F168 HydrophobicContact CD1-CG 4.28Å; L164-F168 WeakPolarHBondContact O-CB 3.46Å; F168-G170 WeakPolarHBondContact CD1-O 3.2Å; F168-G170 WeakPolarHBondContact CE1-O 3.22Å; F168-F307 HydrophobicContact CB-CB 4.22Å; F168-F307 AromaticContact CD2-CD1 3.93Å; F168-F307 HydrophobicContact CD2-CD1 3.93Å; F168-F307 HydrophobicContact CE2-CD1 4.35Å; F168-F307 HydrophobicContact CG-CD1 4.18Å; F168-I323 HydrophobicContact CE2-CB 4.08Å; F168-I323 HydrophobicContact CE2-CG2 4.31Å; F168-I323 WeakPolarHBondContact CE2-O 3.29Å; F168-I323 HydrophobicContact CZ-CB 4.16Å; F168-I323 HydrophobicContact CZ-CG2 3.93Å; F168-I323 VanDerWaalsContact CZ-O 3.22Å; F168-I323 WeakPolarHBondContact CZ-O 3.48Å; F168-V326 HydrophobicContact CD1-CG2 4.34Å; F168-V326 HydrophobicContact CE1-CB 4.48Å; F168-V326 HydrophobicContact CE1-CG2 3.59Å; F168-V326 HydrophobicContact CE2-CG2 4.47Å; F168-V326 HydrophobicContact CZ-CG2 3.68Å | ||
| 169 | E | 97.6 | Very high | 96.5 | Very high | 119 Ų | 119 | 55.6 Ų | 55.6 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | trans | -86.9 | -11.8 | -177.1 | -62.7 | 176.1 | 174.5 | 0 | 0 | 112.4 | S167 K309 K310 | S167-E169 PolarHBondContact O-N 3.25Å; E169-K309 VanDerWaalsContact CB-O 3.31Å; E169-K309 WeakPolarHBondContact CB-O 3.47Å; E169-K309 HydrophobicContact CG-CB 4.22Å; E169-K309 WeakPolarHBondContact CG-O 3.39Å; E169-K309 PolarHBondContact N-O 2.93Å; E169-K310 WeakPolarHBondContact OE2-CE 3.36Å | ||
| 170 | G | 97.2 | Very high | 96.7 | Very high | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -77.9 | 175.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | F168 | F168-G170 WeakPolarHBondContact CD1-O 3.2Å; F168-G170 WeakPolarHBondContact CE1-O 3.22Å |
| 171 | Q | 97.3 | Very high | 96.9 | Very high | 133 Ų | 133 | 48 Ų | 48 | 62% | 0.621 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 143.9 | 176.6 | -63 | -180 | 2.1 | 0 | 0 | 110.3 | D324 V325 V326 | Q171-D324 PolarHBondContact N-O 3.34Å; Q171-V325 HydrophobicContact CB-CG1 4.33Å; Q171-V325 HydrophobicContact CB-CG2 4.38Å; Q171-V325 CarbonylContact O-C 3.47Å; Q171-V325 WeakPolarHBondContact O-CA 3.41Å; Q171-V326 PolarHBondContact O-N 3.18Å |
| 172 | F | 97.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150.1 | 165.1 | 78.4 | -87.7 | 0 | 0 | 0 | 110.9 | L164 Q165 V326 L328 | L164-F172 HydrophobicContact CD1-CB 3.82Å; L164-F172 HydrophobicContact CD1-CD1 4.27Å; L164-F172 HydrophobicContact CD1-CG 4.05Å; L164-F172 HydrophobicContact CD2-CD2 4.29Å; L164-F172 HydrophobicContact CD2-CG 4.36Å; L164-F172 HydrophobicContact CG-CB 4.38Å; L164-F172 HydrophobicContact CG-CD1 4.32Å; L164-F172 HydrophobicContact CG-CD2 4.45Å; L164-F172 HydrophobicContact CG-CG 4.13Å; Q165-F172 HydrophobicContact CG-CE1 4.49Å; Q165-F172 HydrophobicContact CG-CZ 3.98Å; F172-V326 CarbonylContact C-O 3.57Å; F172-V326 VanDerWaalsContact CA-O 3.22Å; F172-V326 WeakPolarHBondContact CA-O 3.48Å; F172-V326 HydrophobicContact CB-CB 3.9Å; F172-L328 HydrophobicContact CD2-CD1 4.29Å |
| 173 | M | 97 | Very high | 96.9 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 162.5 | 179.6 | 63.5 | -178 | 70.2 | 0 | 0 | 110.8 | F184 V325 V326 I327 L328 | M173-F184 HydrophobicContact CE-CZ 4.1Å; M173-F184 HydrophobicContact SD-CZ 4.05Å; M173-V325 HydrophobicContact CE-CG1 4.04Å; M173-V326 PolarHBondContact N-O 2.9Å; M173-I327 HydrophobicContact CG-CG1 4.09Å; M173-I327 HydrophobicContact CG-CG2 4.48Å; M173-I327 CarbonylContact O-C 3.53Å; M173-I327 WeakPolarHBondContact O-CA 3.46Å; M173-I327 HydrophobicContact SD-CG1 4.44Å; M173-L328 PolarHBondContact O-N 2.78Å |
| 174 | H | 97.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 155.8 | 167.6 | -170.5 | -99.6 | 0 | 0 | 0 | 110.9 | P156 H176 S177 L328 T330 G331 Y332 | P156-H174 HydrophobicContact CB-CB 4.03Å; H174-H176 HydrophobicContact CB-CB 4.5Å; H174-H176 VanDerWaalsContact ND1-CB 3.34Å; H174-H176 WeakPolarHBondContact ND1-CB 3.3Å; H174-H176 PolarHBondContact ND1-N 3.16Å; H174-H176 VanDerWaalsContact ND1-N 3.12Å; H174-H176 PolarHBondContact O-N 3.12Å; H174-S177 PolarHBondContact O-N 3.02Å; H174-L328 CarbonylContact C-O 3.08Å; H174-L328 WeakPolarHBondContact CA-O 3.39Å; H174-L328 PolarHBondContact CD2-O 2.91Å; H174-L328 PolarHBondContact NE2-O 2.97Å; H174-T330 PolarHBondContact CD2-OG1 2.88Å; H174-G331 PolarHBondContact CE1-O 3.21Å; H174-G331 PolarHBondContact NE2-N 3.43Å; H174-G331 PolarHBondContact NE2-O 3.16Å; H174-Y332 AromaticContact CE1-CE1 3.97Å; H174-Y332 AromaticContact CE1-CZ 3.81Å |
| 175 | S | 97.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -56.6 | -22.4 | 175.9 | 65.4 | 0 | 0 | 0 | 0 | 113.2 | S177 Y178 L328 | S175-S177 PolarHBondContact O-N 3.33Å; S175-Y178 PolarHBondContact O-N 3.24Å; S175-L328 PolarHBondContact N-O 3.38Å |
| 176 | H | 96.1 | Very high | 97 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -60 | -28.7 | 172.1 | 178.1 | 95.9 | 0 | 0 | 0 | 113.2 | R52 P156 H174 R179 Y332 | R52-H176 VanDerWaalsContact C-CE1 3.45Å; R52-H176 PolarHBondContact O-CE1 3.24Å; P156-H176 HydrophobicContact CB-CB 4.44Å; P156-H176 HydrophobicContact CG-CB 3.69Å; H174-H176 HydrophobicContact CB-CB 4.5Å; H174-H176 VanDerWaalsContact ND1-CB 3.34Å; H174-H176 WeakPolarHBondContact ND1-CB 3.3Å; H174-H176 PolarHBondContact ND1-N 3.16Å; H174-H176 VanDerWaalsContact ND1-N 3.12Å; H174-H176 PolarHBondContact O-N 3.12Å; H176-R179 PolarHBondContact O-NH1 3.01Å; H176-Y332 HydrophobicContact CB-CE1 3.93Å; H176-Y332 AromaticContact ND1-CE1 3.78Å |
| 177 | S | 96.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -93.3 | -11.6 | -179.8 | -52.8 | 0 | 0 | 0 | 0 | 113 | V48 H174 S175 | V48-S177 WeakPolarHBondContact CG2-O 3.22Å; H174-S177 PolarHBondContact O-N 3.02Å; S175-S177 PolarHBondContact O-N 3.33Å |
| 178 | Y | 97.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | trans | -76.4 | 140.2 | 178 | -178.4 | -91.4 | 0 | 0 | 0 | 111.2 | M56 S175 T180 P181 F184 I201 E204 L205 I327 | M56-Y178 HydrophobicContact CB-CD1 4.45Å; M56-Y178 HydrophobicContact CE-CD1 4.35Å; M56-Y178 HydrophobicContact CG-CD1 3.82Å; M56-Y178 HydrophobicContact CG-CE1 4.27Å; M56-Y178 HydrophobicContact SD-CD1 3.63Å; M56-Y178 HydrophobicContact SD-CE1 3.88Å; S175-Y178 PolarHBondContact O-N 3.24Å; Y178-T180 WeakPolarHBondContact CE2-O 3.11Å; Y178-P181 WeakPolarHBondContact OH-CA 3.25Å; Y178-F184 AromaticContact CD2-CE2 3.81Å; Y178-F184 HydrophobicContact CD2-CE2 3.81Å; Y178-F184 AromaticContact CD2-CZ 3.89Å; Y178-F184 HydrophobicContact CD2-CZ 3.89Å; Y178-F184 HydrophobicContact CE2-CD2 4.14Å; Y178-F184 AromaticContact CE2-CE2 3.64Å; Y178-F184 HydrophobicContact CE2-CE2 3.64Å; Y178-F184 HydrophobicContact CE2-CZ 4.04Å; Y178-I201 HydrophobicContact CD1-CD1 3.86Å; Y178-I201 HydrophobicContact CD1-CG1 3.64Å; Y178-I201 HydrophobicContact CD2-CG2 4.48Å; Y178-I201 HydrophobicContact CE1-CG1 3.91Å; Y178-I201 HydrophobicContact CE2-CG2 4.42Å; Y178-I201 HydrophobicContact CG-CD1 3.88Å; Y178-I201 HydrophobicContact CG-CG1 4.06Å; Y178-E204 VanDerWaalsContact CE1-OE2 3.23Å; Y178-E204 WeakPolarHBondContact CE1-OE2 3.47Å; Y178-E204 VanDerWaalsContact CZ-OE2 3.29Å; Y178-E204 PolarHBondContact OH-OE2 3.33Å; Y178-L205 HydrophobicContact CE2-CD1 4.08Å; Y178-L205 HydrophobicContact CE2-CD2 3.95Å; Y178-L205 HydrophobicContact CE2-CG 4.1Å; Y178-I327 HydrophobicContact CD2-CD1 4.13Å | ||
| 179 | R | 96.5 | Very high | 97.3 | Very high | 17 Ų | 17 | 54 Ų | 54 | 6% | 0.064 | 28% | 0.279 | C | S | . | . | trans | -133.5 | -44.3 | -179.7 | -68.4 | -64.9 | -178.5 | -84.4 | -3.7 | 114.1 | Y44 N45 R57 H176 | Y44-R179 HydrophobicContact CE2-CB 4.34Å; N45-R179 WeakPolarHBondContact O-CD 3.45Å; N45-R179 PolarHBondContact O-NE 2.92Å; R57-R179 WeakPolarHBondContact CB-O 3.35Å; R57-R179 PolarHBondContact N-O 3.03Å; H176-R179 PolarHBondContact O-NH1 3.01Å | ||
| 180 | T | 97.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | trans | -148.8 | 161.3 | -174.4 | 76.4 | 0 | 0 | 0 | 0 | 109.5 | R57 Y178 K182 | R57-T180 HydrophobicContact CB-CG2 3.93Å; Y178-T180 WeakPolarHBondContact CE2-O 3.11Å; T180-K182 PolarHBondContact O-N 3.02Å; T180-K182 WeakPolarHBondContact OG1-CB 3.46Å; T180-K182 PolarHBondContact OG1-N 3.09Å | ||
| 181 | P | 97.6 | Very high | 97.4 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 13% | 0.13 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -73.4 | -6.2 | 176.5 | 29.3 | -36.3 | 0 | 0 | 0 | 114.2 | Y178 G183 F184 E204 L205 H208 | Y178-P181 WeakPolarHBondContact OH-CA 3.25Å; P181-G183 PolarHBondContact O-N 3.15Å; P181-F184 WeakPolarHBondContact O-CB 3.4Å; P181-F184 PolarHBondContact O-N 3.06Å; P181-F184 VanDerWaalsContact O-N 3.16Å; P181-E204 HydrophobicContact CB-CG 4.36Å; P181-E204 HydrophobicContact CG-CG 4.28Å; P181-L205 HydrophobicContact CB-CD2 3.92Å; P181-H208 HydrophobicContact CB-CB 3.86Å; P181-H208 WeakPolarHBondContact CB-CD2 3.33Å |
| 182 | K | 96.5 | Very high | 97.5 | Very high | 170 Ų | 170 | 41.4 Ų | 41.4 | 74% | 0.739 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 131.5 | 179.8 | -175.1 | -178.2 | 177.8 | -176.7 | 0 | 110.6 | T180 | T180-K182 PolarHBondContact O-N 3.02Å; T180-K182 WeakPolarHBondContact OG1-CB 3.46Å; T180-K182 PolarHBondContact OG1-N 3.09Å |
| 183 | G | 95.9 | Very high | 97.4 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P181 E185 | P181-G183 PolarHBondContact O-N 3.15Å; G183-E185 WeakPolarHBondContact CA-OE2 3.4Å; G183-E185 PolarHBondContact N-OE2 3.03Å |
| 184 | F | 98.1 | Very high | 97.4 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | trans | -100.1 | -0.1 | 175.6 | -65.5 | -92.7 | 0 | 0 | 0 | 112.9 | M173 Y178 P181 N186 K187 V189 L205 A209 V325 I327 | M173-F184 HydrophobicContact CE-CZ 4.1Å; M173-F184 HydrophobicContact SD-CZ 4.05Å; Y178-F184 AromaticContact CD2-CE2 3.81Å; Y178-F184 HydrophobicContact CD2-CE2 3.81Å; Y178-F184 AromaticContact CD2-CZ 3.89Å; Y178-F184 HydrophobicContact CD2-CZ 3.89Å; Y178-F184 HydrophobicContact CE2-CD2 4.14Å; Y178-F184 AromaticContact CE2-CE2 3.64Å; Y178-F184 HydrophobicContact CE2-CE2 3.64Å; Y178-F184 HydrophobicContact CE2-CZ 4.04Å; P181-F184 WeakPolarHBondContact O-CB 3.4Å; P181-F184 PolarHBondContact O-N 3.06Å; P181-F184 VanDerWaalsContact O-N 3.16Å; F184-N186 PolarHBondContact O-N 3.18Å; F184-K187 VanDerWaalsContact O-CB 3.26Å; F184-K187 WeakPolarHBondContact O-CB 3.17Å; F184-K187 WeakPolarHBondContact O-CG 3.49Å; F184-K187 PolarHBondContact O-N 3.05Å; F184-K187 VanDerWaalsContact O-N 3.09Å; F184-V189 HydrophobicContact CD1-CG2 3.79Å; F184-L205 HydrophobicContact CB-CD2 3.57Å; F184-L205 HydrophobicContact CD1-CD1 4.02Å; F184-L205 HydrophobicContact CD1-CD2 4.13Å; F184-L205 HydrophobicContact CD2-CD2 3.87Å; F184-L205 HydrophobicContact CE1-CD1 4.22Å; F184-L205 HydrophobicContact CG-CD1 4.32Å; F184-L205 HydrophobicContact CG-CD2 3.59Å; F184-A209 VanDerWaalsContact O-CA 3.32Å; F184-A209 WeakPolarHBondContact O-CA 3.34Å; F184-V325 HydrophobicContact CD1-CB 4.5Å; F184-V325 HydrophobicContact CD1-CG2 4.34Å; F184-V325 HydrophobicContact CE1-CB 4.11Å; F184-V325 HydrophobicContact CE1-CG1 3.76Å; F184-V325 HydrophobicContact CE1-CG2 4.19Å; F184-I327 HydrophobicContact CE1-CD1 3.72Å; F184-I327 HydrophobicContact CE1-CG1 4.36Å; F184-I327 HydrophobicContact CZ-CD1 3.96Å | ||
| 185 | E | 97.9 | Very high | 97.3 | Very high | 89 Ų | 89 | 37.4 Ų | 37.4 | 42% | 0.416 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 136.6 | 175.9 | -62.1 | 82.1 | 179.2 | 0 | 0 | 110.7 | G183 K187 | G183-E185 WeakPolarHBondContact CA-OE2 3.4Å; G183-E185 PolarHBondContact N-OE2 3.03Å; E185-K187 PolarHBondContact O-N 2.66Å; E185-K187 VanDerWaalsContact O-N 3.09Å |
| 186 | N | 96.7 | Very high | 97.2 | Very high | 139 Ų | 139 | 38.8 Ų | 38.8 | 74% | 0.743 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 6.7 | -176.5 | -53.6 | -51.5 | 0 | 0 | 0 | 115.7 | F184 | F184-N186 PolarHBondContact O-N 3.18Š|
| 187 | K | 98.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | trans | -87.8 | 148.1 | 179.9 | -58.6 | -54 | -165.7 | 167.8 | 0 | 112.8 | F184 E185 V189 A209 N210 K211 D324 | F184-K187 VanDerWaalsContact O-CB 3.26Å; F184-K187 WeakPolarHBondContact O-CB 3.17Å; F184-K187 WeakPolarHBondContact O-CG 3.49Å; F184-K187 PolarHBondContact O-N 3.05Å; F184-K187 VanDerWaalsContact O-N 3.09Å; E185-K187 PolarHBondContact O-N 2.66Å; E185-K187 VanDerWaalsContact O-N 3.09Å; K187-V189 HydrophobicContact CB-CG2 4.05Å; K187-A209 WeakPolarHBondContact O-CB 3.38Å; K187-N210 WeakPolarHBondContact O-CB 3.18Å; K187-N210 PolarHBondContact O-N 2.84Å; K187-K211 PolarHBondContact O-N 2.86Å; K187-D324 WeakPolarHBondContact CA-OD2 3.28Å; K187-D324 HydrophobicContact CB-CB 4.03Å; K187-D324 HydrophobicContact CD-CB 3.71Å; K187-D324 HydrophobicContact CG-CB 4.32Å; K187-D324 IonicContact NZ-OD1 3.15Å; K187-D324 PolarHBondContact NZ-OD1 2.91Å; K187-D324 VanDerWaalsContact NZ-OD1 3.15Å | ||
| 188 | R | 98.6 | Very high | 97.3 | Very high | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.5 | 163.5 | -70 | 173.8 | 56.2 | 85.2 | -3.3 | 108.4 | K211 E320 D321 N322 I323 D324 V325 | R188-K211 WeakPolarHBondContact CA-O 3.47Å; R188-K211 HydrophobicContact CG-CB 4.14Å; R188-E320 IonicContact NH2-OE2 2.91Å; R188-E320 PolarHBondContact NH2-OE2 3.08Å; R188-D321 VanDerWaalsContact CZ-O 3.29Å; R188-D321 PolarHBondContact NE-O 3.44Å; R188-D321 PolarHBondContact NH2-O 3.39Å; R188-N322 VanDerWaalsContact CB-O 3.25Å; R188-N322 WeakPolarHBondContact CB-O 3.34Å; R188-N322 WeakPolarHBondContact CD-O 3.5Å; R188-N322 PolarHBondContact NE-O 3.07Å; R188-I323 HydrophobicContact CB-CD1 4.39Å; R188-D324 PolarHBondContact N-OD2 3.38Å; R188-D324 PolarHBondContact O-N 3.46Å; R188-V325 PolarHBondContact O-N 3.15Å |
| 189 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.8 | -170.6 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | F184 K187 V191 L205 A209 K211 V212 F213 V325 I327 | F184-V189 HydrophobicContact CD1-CG2 3.79Å; K187-V189 HydrophobicContact CB-CG2 4.05Å; V189-V191 HydrophobicContact CG1-CG2 4.35Å; V189-L205 HydrophobicContact CG1-CD1 3.93Å; V189-L205 HydrophobicContact CG2-CD1 4.47Å; V189-A209 HydrophobicContact CG2-CB 4.01Å; V189-K211 PolarHBondContact N-O 3.35Å; V189-V212 CarbonylContact O-C 3.5Å; V189-V212 WeakPolarHBondContact O-CA 3.19Å; V189-F213 PolarHBondContact O-N 2.73Å; V189-V325 CarbonylContact C-O 3.54Å; V189-V325 VanDerWaalsContact CA-O 3.32Å; V189-V325 WeakPolarHBondContact CA-O 3.37Å; V189-V325 HydrophobicContact CG1-CB 4.45Å; V189-V325 HydrophobicContact CG2-CB 4.46Å; V189-I327 HydrophobicContact CG1-CD1 3.9Å; V189-I327 HydrophobicContact CG1-CG1 4.09Å |
| 190 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.8 | 168.8 | 178 | 66.6 | 0 | 0 | 0 | 109.9 | V192 F213 I304 F307 V312 F314 I323 V325 V326 I327 | L190-V192 HydrophobicContact CD2-CG2 4.08Å; L190-V192 HydrophobicContact CG-CG2 3.99Å; L190-F213 HydrophobicContact CD1-CB 3.67Å; L190-I304 HydrophobicContact CD2-CD1 3.99Å; L190-F307 HydrophobicContact CD2-CE1 3.85Å; L190-F307 HydrophobicContact CD2-CZ 3.92Å; L190-V312 HydrophobicContact CD2-CB 4.27Å; L190-V312 HydrophobicContact CD2-CG1 4.02Å; L190-V312 HydrophobicContact CD2-CG2 4.16Å; L190-F314 HydrophobicContact CD1-CE1 4.14Å; L190-F314 HydrophobicContact CD1-CZ 4Å; L190-I323 HydrophobicContact CB-CG2 3.96Å; L190-V325 PolarHBondContact N-O 2.94Å; L190-V326 HydrophobicContact CB-CG2 4.34Å; L190-V326 HydrophobicContact CD2-CG1 4.39Å; L190-V326 HydrophobicContact CD2-CG2 4.37Å; L190-V326 CarbonylContact O-C 3.53Å; L190-V326 WeakPolarHBondContact O-CA 3.38Å; L190-I327 PolarHBondContact O-N 3.37Å |
| 191 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.5 | 171 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | V189 A198 I201 A202 V212 F213 L214 S215 I327 | V189-V191 HydrophobicContact CG1-CG2 4.35Å; V191-A198 HydrophobicContact CG1-CB 4.12Å; V191-I201 HydrophobicContact CG2-CG2 4.01Å; V191-A202 HydrophobicContact CB-CB 4.32Å; V191-A202 HydrophobicContact CG1-CB 4.38Å; V191-A202 HydrophobicContact CG2-CB 4.15Å; V191-V212 HydrophobicContact CG2-CG1 4.03Å; V191-F213 PolarHBondContact N-O 3.4Å; V191-L214 HydrophobicContact CB-CD1 4.18Å; V191-L214 HydrophobicContact CG1-CD1 4.05Å; V191-L214 WeakPolarHBondContact O-CA 3.35Å; V191-S215 PolarHBondContact O-N 3.04Å; V191-I327 WeakPolarHBondContact CA-O 3.34Å |
| 192 | V | 98.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.5 | -176 | -173.1 | 0 | 0 | 0 | 0 | 110 | L190 I304 V326 I327 L328 C329 T330 | L190-V192 HydrophobicContact CD2-CG2 4.08Å; L190-V192 HydrophobicContact CG-CG2 3.99Å; V192-I304 HydrophobicContact CB-CD1 4.38Å; V192-I304 HydrophobicContact CG1-CD1 3.86Å; V192-I304 HydrophobicContact CG2-CD1 3.57Å; V192-V326 HydrophobicContact CG2-CG1 3.88Å; V192-I327 PolarHBondContact N-O 2.83Å; V192-L328 HydrophobicContact CB-CD2 4Å; V192-L328 HydrophobicContact CG1-CD2 4.46Å; V192-L328 HydrophobicContact CG2-CD2 4.01Å; V192-C329 CarbonylContact O-C 3.52Å; V192-C329 WeakPolarHBondContact O-CA 3.48Å; V192-C329 WeakPolarHBondContact O-CB 3.37Å; V192-C329 PolarHBondContact O-N 2.71Å; V192-T330 HydrophobicContact CG1-CG2 4.48Å |
| 193 | G | 96.7 | Very high | 97.5 | Very high | 18 Ų | 18 | 29 Ų | 29 | 19% | 0.186 | 17% | 0.167 | C | C | . | . | trans | 127.6 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A198 L214 S215 | G193-A198 WeakPolarHBondContact O-CB 3.5Å; G193-L214 VanDerWaalsContact O-CD1 3.28Å; G193-L214 WeakPolarHBondContact O-CD1 3.29Å; G193-S215 PolarHBondContact N-O 3.47Å | ||
| 194 | F | 95.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 28 Ų | 28 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | trans | -143 | 38.7 | -173.1 | -150.1 | -97.2 | 0 | 0 | 0 | 111.5 | M199 L214 T216 G220 T222 I272 T284 R427 | F194-M199 HydrophobicContact CD2-CE 3.93Å; F194-M199 HydrophobicContact CE2-CE 4.02Å; F194-M199 HydrophobicContact CG-CE 4.31Å; F194-M199 HydrophobicContact CZ-CE 4.42Å; F194-L214 HydrophobicContact CD2-CD2 4.06Å; F194-L214 HydrophobicContact CD2-CG 4.47Å; F194-L214 HydrophobicContact CE2-CD2 3.86Å; F194-T216 WeakPolarHBondContact CB-OG1 3.27Å; F194-T216 HydrophobicContact CD2-CG2 3.85Å; F194-T216 HydrophobicContact CE2-CG2 4.1Å; F194-G220 VanDerWaalsContact CE1-N 3.34Å; F194-T222 HydrophobicContact CE1-CG2 3.74Å; F194-T222 HydrophobicContact CZ-CG2 3.87Å; F194-I272 HydrophobicContact CE2-CB 4.38Å; F194-I272 HydrophobicContact CE2-CG2 3.9Å; F194-I272 HydrophobicContact CZ-CB 3.91Å; F194-I272 HydrophobicContact CZ-CD1 4.08Å; F194-I272 HydrophobicContact CZ-CG2 3.89Å; F194-T284 HydrophobicContact CD1-CG2 4.48Å; F194-T284 PolarHBondContact O-OG1 2.59Å; F194-R427 PolarHBondContact O-NH1 3.24Å; F194-R427 VanDerWaalsContact O-NH1 3.15Å | ||
| 195 | G | 94.7 | Very high | 97.7 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 11% | 0.113 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -99.7 | -177.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | S197 A198 M199 | G195-S197 VanDerWaalsContact C-N 3.33Å; G195-S197 PolarHBondContact O-N 3.14Å; G195-A198 WeakPolarHBondContact O-CB 3.24Å; G195-A198 PolarHBondContact O-N 3.28Å; G195-M199 PolarHBondContact O-N 3.46Å |
| 196 | N | 95.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 23.5 Ų | 23.5 | 19% | 0.187 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 179.7 | -66.2 | -40.6 | 0 | 0 | 0 | 111.9 | A198 M199 D200 T284 L285 | N196-A198 VanDerWaalsContact C-N 3.3Å; N196-A198 PolarHBondContact O-N 3.01Å; N196-M199 WeakPolarHBondContact O-CB 3.46Å; N196-M199 PolarHBondContact O-N 3.45Å; N196-M199 VanDerWaalsContact O-N 3.14Å; N196-D200 PolarHBondContact O-N 2.81Å; N196-T284 WeakPolarHBondContact OD1-CA 3.4Å; N196-L285 PolarHBondContact OD1-N 2.93Å |
| 197 | S | 96.9 | Very high | 97.7 | Very high | 40 Ų | 40 | 23.4 Ų | 23.4 | 28% | 0.28 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61.7 | -35.6 | 175.5 | -52.3 | 0 | 0 | 0 | 0 | 113.2 | G195 M199 I201 | G195-S197 VanDerWaalsContact C-N 3.33Å; G195-S197 PolarHBondContact O-N 3.14Å; S197-M199 VanDerWaalsContact C-N 3.34Å; S197-I201 WeakPolarHBondContact O-CB 3.43Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.25Å; S197-I201 PolarHBondContact O-N 3.37Å |
| 198 | A | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | V191 G193 G195 N196 A202 L214 C329 | V191-A198 HydrophobicContact CG1-CB 4.12Å; G193-A198 WeakPolarHBondContact O-CB 3.5Å; G195-A198 WeakPolarHBondContact O-CB 3.24Å; G195-A198 PolarHBondContact O-N 3.28Å; N196-A198 VanDerWaalsContact C-N 3.3Å; N196-A198 PolarHBondContact O-N 3.01Å; A198-A202 WeakPolarHBondContact O-CB 3.07Å; A198-A202 PolarHBondContact O-N 3.22Å; A198-L214 HydrophobicContact CB-CD1 4.37Å; A198-C329 HydrophobicContact CB-CB 3.65Å |
| 199 | M | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.7 | -48.3 | 176.4 | -63.5 | -57.5 | 94.5 | 0 | 0 | 111.9 | F194 G195 N196 S197 T203 L214 T284 L285 L289 | F194-M199 HydrophobicContact CD2-CE 3.93Å; F194-M199 HydrophobicContact CE2-CE 4.02Å; F194-M199 HydrophobicContact CG-CE 4.31Å; F194-M199 HydrophobicContact CZ-CE 4.42Å; G195-M199 PolarHBondContact O-N 3.46Å; N196-M199 WeakPolarHBondContact O-CB 3.46Å; N196-M199 PolarHBondContact O-N 3.45Å; N196-M199 VanDerWaalsContact O-N 3.14Å; S197-M199 VanDerWaalsContact C-N 3.34Å; M199-T203 WeakPolarHBondContact O-CB 3.28Å; M199-T203 VanDerWaalsContact O-CG2 3.3Å; M199-T203 WeakPolarHBondContact O-CG2 3.41Å; M199-T203 PolarHBondContact O-N 2.9Å; M199-T203 PolarHBondContact O-OG1 2.91Å; M199-L214 HydrophobicContact CE-CD1 4.28Å; M199-L214 HydrophobicContact CE-CD2 3.7Å; M199-T284 HydrophobicContact CE-CG2 4.48Å; M199-T284 HydrophobicContact CG-CG2 3.29Å; M199-T284 HydrophobicContact SD-CG2 3.95Å; M199-L285 WeakPolarHBondContact CB-O 3.34Å; M199-L289 HydrophobicContact SD-CD1 4.07Å; M199-L289 HydrophobicContact SD-CD2 3.86Å; M199-L289 HydrophobicContact SD-CG 4.41Å |
| 200 | D | 97.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 27 Ų | 27 | 21% | 0.209 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -52.6 | 179.5 | -73.5 | -5 | 0 | 0 | 0 | 110.5 | M56 N196 T203 E204 | M56-D200 HydrophobicContact SD-CB 4.1Å; N196-D200 PolarHBondContact O-N 2.81Å; D200-T203 PolarHBondContact O-OG1 3.22Å; D200-E204 WeakPolarHBondContact O-CB 3.1Å; D200-E204 PolarHBondContact O-N 3.44Å |
| 201 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -49.7 | -178.5 | -65.7 | 176.5 | 0 | 0 | 0 | 111.4 | M56 Y178 V191 S197 T203 E204 L205 I327 | M56-I201 HydrophobicContact CE-CD1 3.5Å; M56-I201 VanDerWaalsContact CE-CD1 3.5Å; M56-I201 HydrophobicContact CE-CG1 3.44Å; M56-I201 VanDerWaalsContact CE-CG1 3.44Å; M56-I201 HydrophobicContact SD-CD1 4.17Å; M56-I201 HydrophobicContact SD-CG1 3.52Å; M56-I201 VanDerWaalsContact SD-CG1 3.52Å; Y178-I201 HydrophobicContact CD1-CD1 3.86Å; Y178-I201 HydrophobicContact CD1-CG1 3.64Å; Y178-I201 HydrophobicContact CD2-CG2 4.48Å; Y178-I201 HydrophobicContact CE1-CG1 3.91Å; Y178-I201 HydrophobicContact CE2-CG2 4.42Å; Y178-I201 HydrophobicContact CG-CD1 3.88Å; Y178-I201 HydrophobicContact CG-CG1 4.06Å; V191-I201 HydrophobicContact CG2-CG2 4.01Å; S197-I201 WeakPolarHBondContact O-CB 3.43Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.25Å; S197-I201 PolarHBondContact O-N 3.37Å; I201-T203 VanDerWaalsContact C-N 3.34Å; I201-T203 PolarHBondContact O-N 3.37Å; I201-E204 PolarHBondContact O-N 2.96Å; I201-L205 HydrophobicContact CG2-CD1 3.64Å; I201-L205 HydrophobicContact CG2-CG 4.16Å; I201-L205 VanDerWaalsContact O-CB 3.27Å; I201-L205 WeakPolarHBondContact O-CB 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.26Å; I201-L205 PolarHBondContact O-N 3.06Å; I201-I327 HydrophobicContact CD1-CG2 3.93Å; I201-I327 HydrophobicContact CG2-CD1 3.66Å; I201-I327 HydrophobicContact CG2-CG2 4.35Å |
| 202 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V191 A198 S206 V212 L214 L298 | V191-A202 HydrophobicContact CB-CB 4.32Å; V191-A202 HydrophobicContact CG1-CB 4.38Å; V191-A202 HydrophobicContact CG2-CB 4.15Å; A198-A202 WeakPolarHBondContact O-CB 3.07Å; A198-A202 PolarHBondContact O-N 3.22Å; A202-S206 VanDerWaalsContact O-CB 3.28Å; A202-S206 WeakPolarHBondContact O-CB 3.49Å; A202-S206 PolarHBondContact O-N 3.14Å; A202-V212 HydrophobicContact CB-CG1 4.4Å; A202-L214 HydrophobicContact CB-CD1 4.24Å; A202-L298 HydrophobicContact CB-CD1 3.88Å; A202-L298 HydrophobicContact CB-CD2 4.2Å |
| 203 | T | 98.1 | Very high | 97.5 | Very high | 11 Ų | 11 | 29 Ų | 29 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75 | -36.5 | 179.3 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | M199 D200 I201 S206 D288 L289 R292 | M199-T203 WeakPolarHBondContact O-CB 3.28Å; M199-T203 VanDerWaalsContact O-CG2 3.3Å; M199-T203 WeakPolarHBondContact O-CG2 3.41Å; M199-T203 PolarHBondContact O-N 2.9Å; M199-T203 PolarHBondContact O-OG1 2.91Å; D200-T203 PolarHBondContact O-OG1 3.22Å; I201-T203 VanDerWaalsContact C-N 3.34Å; I201-T203 PolarHBondContact O-N 3.37Å; T203-S206 PolarHBondContact O-OG 3.38Å; T203-D288 HydrophobicContact CG2-CB 4.13Å; T203-L289 HydrophobicContact CG2-CB 4.23Å; T203-L289 HydrophobicContact CG2-CD1 4.37Å; T203-R292 HydrophobicContact CG2-CG 4.09Å |
| 204 | E | 97.9 | Very high | 97.6 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -54.7 | 172.8 | -176 | 174.3 | -120.3 | 0 | 0 | 110.9 | S58 Y178 P181 D200 I201 S206 R207 H208 | S58-E204 WeakPolarHBondContact CB-OE1 3.42Å; S58-E204 VanDerWaalsContact OG-CD 3.31Å; S58-E204 PolarHBondContact OG-OE1 2.8Å; Y178-E204 VanDerWaalsContact CE1-OE2 3.23Å; Y178-E204 WeakPolarHBondContact CE1-OE2 3.47Å; Y178-E204 VanDerWaalsContact CZ-OE2 3.29Å; Y178-E204 PolarHBondContact OH-OE2 3.33Å; P181-E204 HydrophobicContact CB-CG 4.36Å; P181-E204 HydrophobicContact CG-CG 4.28Å; D200-E204 WeakPolarHBondContact O-CB 3.1Å; D200-E204 PolarHBondContact O-N 3.44Å; I201-E204 PolarHBondContact O-N 2.96Å; E204-S206 PolarHBondContact O-N 3.07Å; E204-R207 WeakPolarHBondContact O-CB 3.43Å; E204-R207 PolarHBondContact O-N 3.47Å; E204-H208 PolarHBondContact O-CD2 2.97Å |
| 205 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -29 | -178.8 | -73.1 | -177.6 | 0 | 0 | 0 | 112.9 | Y178 P181 F184 V189 I201 R207 H208 A209 V212 I327 | Y178-L205 HydrophobicContact CE2-CD1 4.08Å; Y178-L205 HydrophobicContact CE2-CD2 3.95Å; Y178-L205 HydrophobicContact CE2-CG 4.1Å; P181-L205 HydrophobicContact CB-CD2 3.92Å; F184-L205 HydrophobicContact CB-CD2 3.57Å; F184-L205 HydrophobicContact CD1-CD1 4.02Å; F184-L205 HydrophobicContact CD1-CD2 4.13Å; F184-L205 HydrophobicContact CD2-CD2 3.87Å; F184-L205 HydrophobicContact CE1-CD1 4.22Å; F184-L205 HydrophobicContact CG-CD1 4.32Å; F184-L205 HydrophobicContact CG-CD2 3.59Å; V189-L205 HydrophobicContact CG1-CD1 3.93Å; V189-L205 HydrophobicContact CG2-CD1 4.47Å; I201-L205 HydrophobicContact CG2-CD1 3.64Å; I201-L205 HydrophobicContact CG2-CG 4.16Å; I201-L205 VanDerWaalsContact O-CB 3.27Å; I201-L205 WeakPolarHBondContact O-CB 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.26Å; I201-L205 PolarHBondContact O-N 3.06Å; L205-R207 PolarHBondContact O-N 3.23Å; L205-H208 PolarHBondContact O-N 2.64Å; L205-A209 HydrophobicContact CB-CB 4.47Å; L205-A209 WeakPolarHBondContact O-CB 3.2Å; L205-A209 PolarHBondContact O-N 3.43Å; L205-V212 HydrophobicContact CB-CG2 3.82Å; L205-I327 HydrophobicContact CD1-CD1 3.49Å; L205-I327 VanDerWaalsContact CD1-CD1 3.49Å |
| 206 | S | 98.1 | Very high | 97.8 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -10.8 | 174.9 | 74.3 | 0 | 0 | 0 | 0 | 114 | A202 T203 E204 R292 | A202-S206 VanDerWaalsContact O-CB 3.28Å; A202-S206 WeakPolarHBondContact O-CB 3.49Å; A202-S206 PolarHBondContact O-N 3.14Å; T203-S206 PolarHBondContact O-OG 3.38Å; E204-S206 PolarHBondContact O-N 3.07Å; S206-R292 WeakPolarHBondContact OG-CD 3.47Å; S206-R292 VanDerWaalsContact OG-CG 3.22Å; S206-R292 WeakPolarHBondContact OG-CG 3.44Å |
| 207 | R | 97.2 | Very high | 97.8 | Very high | 137 Ų | 137 | 32.8 Ų | 32.8 | 52% | 0.517 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -12.4 | 174.4 | -59.4 | 171 | 175.7 | -106.4 | 5.4 | 113.6 | E204 L205 D288 | E204-R207 WeakPolarHBondContact O-CB 3.43Å; E204-R207 PolarHBondContact O-N 3.47Å; L205-R207 PolarHBondContact O-N 3.23Å; R207-D288 IonicContact CZ-OD2 2.59Å; R207-D288 IonicContact NE-OD2 2.81Å; R207-D288 IonicContact NH2-OD1 3.99Å; R207-D288 IonicContact NH2-OD2 3.58Å; R207-D288 PolarHBondContact NH2-OD2 2.89Å |
| 208 | H | 97.4 | Very high | 97.6 | Very high | 84 Ų | 84 | 35.3 Ų | 35.3 | 39% | 0.389 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -40.6 | -168.8 | -64.6 | -77.9 | 0 | 0 | 0 | 113.4 | P181 E204 L205 | P181-H208 HydrophobicContact CB-CB 3.86Å; P181-H208 WeakPolarHBondContact CB-CD2 3.33Å; E204-H208 PolarHBondContact O-CD2 2.97Å; L205-H208 PolarHBondContact O-N 2.64Å |
| 209 | A | 98 | Very high | 97.5 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 12% | 0.116 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -73.8 | 158.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F184 K187 V189 L205 K211 V212 | F184-A209 VanDerWaalsContact O-CA 3.32Å; F184-A209 WeakPolarHBondContact O-CA 3.34Å; K187-A209 WeakPolarHBondContact O-CB 3.38Å; V189-A209 HydrophobicContact CG2-CB 4.01Å; L205-A209 HydrophobicContact CB-CB 4.47Å; L205-A209 WeakPolarHBondContact O-CB 3.2Å; L205-A209 PolarHBondContact O-N 3.43Å; A209-K211 VanDerWaalsContact C-N 3.32Å; A209-V212 HydrophobicContact CB-CG2 3.89Å |
| 210 | N | 97.3 | Very high | 97.4 | Very high | 107 Ų | 107 | 35.7 Ų | 35.7 | 57% | 0.572 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -64.6 | -40.6 | 175.3 | -178.8 | 34.8 | 0 | 0 | 0 | 111.3 | K187 | K187-N210 WeakPolarHBondContact O-CB 3.18Å; K187-N210 PolarHBondContact O-N 2.84Å |
| 211 | K | 97.9 | Very high | 97.3 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 23% | 0.226 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 139.6 | 177.7 | -165.3 | 67.1 | 169.9 | -174 | 0 | 110.3 | K187 R188 V189 A209 F213 A296 V299 | K187-K211 PolarHBondContact O-N 2.86Å; R188-K211 WeakPolarHBondContact CA-O 3.47Å; R188-K211 HydrophobicContact CG-CB 4.14Å; V189-K211 PolarHBondContact N-O 3.35Å; A209-K211 VanDerWaalsContact C-N 3.32Å; K211-F213 HydrophobicContact CB-CE2 4.24Å; K211-F213 HydrophobicContact CG-CD2 4.46Å; K211-F213 HydrophobicContact CG-CE1 4.24Å; K211-F213 HydrophobicContact CG-CE2 3.69Å; K211-F213 HydrophobicContact CG-CZ 3.55Å; K211-A296 PolarHBondContact NZ-O 2.99Å; K211-V299 VanDerWaalsContact CE-CG2 3.44Å |
| 212 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.5 | 172.7 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | V189 V191 A202 L205 A209 A297 L298 V299 | V189-V212 CarbonylContact O-C 3.5Å; V189-V212 WeakPolarHBondContact O-CA 3.19Å; V191-V212 HydrophobicContact CG2-CG1 4.03Å; A202-V212 HydrophobicContact CB-CG1 4.4Å; L205-V212 HydrophobicContact CB-CG2 3.82Å; A209-V212 HydrophobicContact CB-CG2 3.89Å; V212-A297 PolarHBondContact N-O 3.08Å; V212-L298 HydrophobicContact CB-CD1 3.66Å; V212-L298 HydrophobicContact CG1-CD1 3.37Å; V212-L298 WeakPolarHBondContact O-CA 3.4Å; V212-V299 PolarHBondContact O-N 2.69Å |
| 213 | F | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136 | 170.5 | -57.8 | -83 | 0 | 0 | 0 | 108.8 | V189 L190 V191 K211 V299 K301 E320 I323 | V189-F213 PolarHBondContact O-N 2.73Å; L190-F213 HydrophobicContact CD1-CB 3.67Å; V191-F213 PolarHBondContact N-O 3.4Å; K211-F213 HydrophobicContact CB-CE2 4.24Å; K211-F213 HydrophobicContact CG-CD2 4.46Å; K211-F213 HydrophobicContact CG-CE1 4.24Å; K211-F213 HydrophobicContact CG-CE2 3.69Å; K211-F213 HydrophobicContact CG-CZ 3.55Å; F213-V299 CarbonylContact C-O 3.51Å; F213-V299 VanDerWaalsContact CA-O 3.3Å; F213-V299 WeakPolarHBondContact CA-O 3.29Å; F213-V299 HydrophobicContact CD1-CB 3.87Å; F213-V299 HydrophobicContact CD1-CG1 4.22Å; F213-V299 HydrophobicContact CE1-CB 4.15Å; F213-V299 HydrophobicContact CE1-CG1 4.43Å; F213-V299 HydrophobicContact CE1-CG2 4.49Å; F213-K301 HydrophobicContact CB-CG 4.32Å; F213-K301 HydrophobicContact CD1-CD 4.3Å; F213-K301 HydrophobicContact CD1-CG 4.11Å; F213-E320 HydrophobicContact CD1-CG 3.92Å; F213-E320 HydrophobicContact CE1-CG 3.66Å; F213-E320 WeakPolarHBondContact CE1-OE1 3.18Å; F213-E320 VanDerWaalsContact CE1-OE2 3.25Å; F213-E320 WeakPolarHBondContact CE1-OE2 3.38Å; F213-E320 HydrophobicContact CE2-CG 4.44Å; F213-E320 HydrophobicContact CG-CG 4.43Å; F213-E320 HydrophobicContact CZ-CB 4.39Å; F213-E320 VanDerWaalsContact CZ-CD 3.45Å; F213-E320 HydrophobicContact CZ-CG 3.94Å; F213-E320 WeakPolarHBondContact CZ-OE2 3.43Å; F213-I323 HydrophobicContact CD2-CD1 3.73Å; F213-I323 HydrophobicContact CE2-CD1 3.77Å |
| 214 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 108 | 175.2 | 176.1 | 66.4 | 0 | 0 | 0 | 108.7 | V191 G193 F194 A198 M199 A202 L289 L298 V299 V300 K301 | V191-L214 HydrophobicContact CB-CD1 4.18Å; V191-L214 HydrophobicContact CG1-CD1 4.05Å; V191-L214 WeakPolarHBondContact O-CA 3.35Å; G193-L214 VanDerWaalsContact O-CD1 3.28Å; G193-L214 WeakPolarHBondContact O-CD1 3.29Å; F194-L214 HydrophobicContact CD2-CD2 4.06Å; F194-L214 HydrophobicContact CD2-CG 4.47Å; F194-L214 HydrophobicContact CE2-CD2 3.86Å; A198-L214 HydrophobicContact CB-CD1 4.37Å; M199-L214 HydrophobicContact CE-CD1 4.28Å; M199-L214 HydrophobicContact CE-CD2 3.7Å; A202-L214 HydrophobicContact CB-CD1 4.24Å; L214-L289 HydrophobicContact CD2-CD1 4.2Å; L214-L298 HydrophobicContact CB-CD1 4Å; L214-L298 HydrophobicContact CB-CD2 4.43Å; L214-L298 HydrophobicContact CB-CG 4.31Å; L214-L298 HydrophobicContact CD2-CD2 4.26Å; L214-V299 PolarHBondContact N-O 3.04Å; L214-V300 CarbonylContact O-C 3.56Å; L214-V300 WeakPolarHBondContact O-CA 3.43Å; L214-K301 PolarHBondContact O-N 3.38Å |
| 215 | S | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.4 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | V191 G193 K301 T302 | V191-S215 PolarHBondContact O-N 3.04Å; G193-S215 PolarHBondContact N-O 3.47Å; S215-K301 WeakPolarHBondContact CA-O 3.33Å; S215-T302 PolarHBondContact OG-O 2.84Å |
| 216 | T | 96.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 39 Ų | 39 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | trans | -138.8 | 139.5 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | F194 R218 G219 V300 K301 T302 D303 | F194-T216 WeakPolarHBondContact CB-OG1 3.27Å; F194-T216 HydrophobicContact CD2-CG2 3.85Å; F194-T216 HydrophobicContact CE2-CG2 4.1Å; T216-R218 VanDerWaalsContact C-N 3.35Å; T216-G219 WeakPolarHBondContact OG1-CA 3.24Å; T216-G219 PolarHBondContact OG1-N 3.08Å; T216-G219 VanDerWaalsContact OG1-N 3.09Å; T216-V300 HydrophobicContact CG2-CG1 4.13Å; T216-K301 PolarHBondContact N-O 2.83Å; T216-K301 VanDerWaalsContact N-O 3.12Å; T216-T302 CarbonylContact O-C 3.56Å; T216-D303 PolarHBondContact O-N 2.94Å | ||
| 217 | R | 94 | Very high | 96.5 | Very high | 146 Ų | 146 | 38.6 Ų | 38.6 | 55% | 0.551 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -73.7 | -27.2 | -177.8 | -51.6 | -163.8 | -84.1 | 135.5 | -8.2 | 113.8 | D303 | R217-D303 HydrophobicContact CB-CB 4.35Å; R217-D303 WeakPolarHBondContact CD-OD2 3.37Å; R217-D303 HydrophobicContact CG-CB 4.1Å; R217-D303 WeakPolarHBondContact CG-OD1 3.43Å; R217-D303 VanDerWaalsContact CG-OD2 3.24Å; R217-D303 WeakPolarHBondContact CG-OD2 2.91Å |
| 218 | R | 93.2 | Very high | 96.1 | Very high | 94 Ų | 94 | 34.4 Ų | 34.4 | 36% | 0.355 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -153.7 | 6.9 | -167 | 62.4 | -178.6 | 128.6 | -128.9 | 9.3 | 114.3 | T216 P274 Y276 | T216-R218 VanDerWaalsContact C-N 3.35Å; R218-P274 WeakPolarHBondContact O-CA 3.36Å; R218-P274 WeakPolarHBondContact O-CB 3.37Å; R218-Y276 HydrophobicContact CG-CE1 4.4Å |
| 219 | G | 95.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | trans | 59.7 | -156.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T216 I272 Y276 | T216-G219 WeakPolarHBondContact OG1-CA 3.24Å; T216-G219 PolarHBondContact OG1-N 3.08Å; T216-G219 VanDerWaalsContact OG1-N 3.09Å; G219-I272 CarbonylContact C-O 3.47Å; G219-I272 VanDerWaalsContact CA-O 3.31Å; G219-I272 WeakPolarHBondContact CA-O 3.38Å; G219-Y276 PolarHBondContact O-OH 3.44Å | ||
| 220 | G | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | trans | 172.7 | 159.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F194 I272 Y276 | F194-G220 VanDerWaalsContact CE1-N 3.34Å; G220-I272 PolarHBondContact N-O 2.93Å; G220-Y276 VanDerWaalsContact CA-OH 3.25Å; G220-Y276 WeakPolarHBondContact CA-OH 3.47Å | ||
| 221 | W | 96.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 5% | 0.045 | 15% | 0.15 | C | C | . | . | trans | -73.7 | 125.8 | 173.1 | -63 | 105 | 0 | 0 | 0 | 110.2 | F223 E258 L261 N262 H267 R273 P274 Y276 V278 | W221-F223 HydrophobicContact CB-CE2 4.47Å; W221-E258 HydrophobicContact CD2-CG 4.43Å; W221-E258 HydrophobicContact CH2-CB 4.31Å; W221-E258 HydrophobicContact CH2-CG 4.01Å; W221-E258 HydrophobicContact CZ2-CG 3.83Å; W221-E258 HydrophobicContact CZ3-CG 4.4Å; W221-L261 HydrophobicContact CB-CD1 4.03Å; W221-L261 HydrophobicContact CE3-CD1 4.31Å; W221-N262 WeakPolarHBondContact CZ3-ND2 3.36Å; W221-H267 HydrophobicContact CE3-CB 4.33Å; W221-H267 AromaticContact CE3-CD2 3.72Å; W221-H267 AromaticContact CE3-CG 3.82Å; W221-H267 HydrophobicContact CZ3-CB 3.98Å; W221-H267 AromaticContact CZ3-CG 3.84Å; W221-R273 HydrophobicContact CH2-CG 4.3Å; W221-P274 HydrophobicContact CD2-CG 4.27Å; W221-P274 HydrophobicContact CG-CG 4.13Å; W221-P274 HydrophobicContact CZ2-CG 4.48Å; W221-P274 VanDerWaalsContact NE1-CG 3.34Å; W221-Y276 AromaticContact CD1-CE2 3.97Å; W221-Y276 PolarHBondContact NE1-O 3.43Å; W221-V278 HydrophobicContact CB-CG2 3.88Å; W221-V278 VanDerWaalsContact CD1-CA 3.41Å; W221-V278 HydrophobicContact CD2-CB 4.49Å; W221-V278 HydrophobicContact CG-CB 4.07Å; W221-V278 HydrophobicContact CG-CG2 3.95Å | ||
| 222 | T | 97 | Very high | 95 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.9 | -178.4 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | F194 F265 H267 I272 T284 L289 | F194-T222 HydrophobicContact CE1-CG2 3.74Å; F194-T222 HydrophobicContact CZ-CG2 3.87Å; T222-F265 WeakPolarHBondContact OG1-CE1 3.48Å; T222-F265 WeakPolarHBondContact OG1-CZ 3.48Å; T222-H267 PolarHBondContact N-NE2 2.99Å; T222-H267 PolarHBondContact OG1-NE2 3.07Å; T222-I272 HydrophobicContact CG2-CD1 3.96Å; T222-T284 CarbonylContact C-O 3.32Å; T222-T284 VanDerWaalsContact CA-O 3.24Å; T222-T284 WeakPolarHBondContact CA-O 3.4Å; T222-L289 HydrophobicContact CG2-CD2 3.78Å |
| 223 | F | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 145.1 | -179 | -75.2 | -105.3 | 0 | 0 | 0 | 110.1 | W221 Y233 V257 L261 V278 P283 T284 L285 S286 | W221-F223 HydrophobicContact CB-CE2 4.47Å; F223-Y233 HydrophobicContact CD1-CD2 4.2Å; F223-V257 HydrophobicContact CE1-CG1 3.78Å; F223-V257 HydrophobicContact CZ-CG1 3.83Å; F223-L261 HydrophobicContact CD1-CD1 4.49Å; F223-L261 HydrophobicContact CD1-CD2 3.9Å; F223-L261 HydrophobicContact CD2-CD1 4.13Å; F223-L261 HydrophobicContact CE1-CD1 4.2Å; F223-L261 HydrophobicContact CE1-CD2 4.2Å; F223-L261 HydrophobicContact CE2-CD1 3.83Å; F223-L261 HydrophobicContact CG-CD1 4.46Å; F223-L261 HydrophobicContact CG-CD2 4.1Å; F223-L261 HydrophobicContact CZ-CD1 3.88Å; F223-V278 HydrophobicContact CE2-CG2 3.61Å; F223-V278 HydrophobicContact CZ-CG2 3.41Å; F223-V278 VanDerWaalsContact CZ-CG2 3.41Å; F223-P283 HydrophobicContact CD2-CB 3.98Å; F223-P283 HydrophobicContact CE2-CB 4.12Å; F223-P283 HydrophobicContact CE2-CG 4.49Å; F223-T284 PolarHBondContact N-O 3.39Å; F223-L285 HydrophobicContact CB-CG 4.16Å; F223-L285 CarbonylContact O-C 3.59Å; F223-L285 WeakPolarHBondContact O-CA 3.44Å; F223-S286 PolarHBondContact O-N 3.41Å |
| 224 | G | 96.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 6% | 0.062 | 14% | 0.14 | C | C | . | . | trans | -80.7 | 158.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | T226 R264 D287 | G224-T226 PolarHBondContact O-N 2.99Å; G224-R264 VanDerWaalsContact CA-NH1 3.31Å; G224-R264 VanDerWaalsContact N-NH1 3.11Å; G224-D287 VanDerWaalsContact CA-OD1 3.31Å; G224-D287 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 225 | R | 96.8 | Very high | 94.5 | Very high | 69 Ų | 69 | 28 Ų | 28 | 26% | 0.26 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -65.2 | -26.4 | 169.3 | -83.4 | -179 | -71 | 167.7 | -3.6 | 111.4 | F82 P232 Y233 L285 D287 | F82-R225 HydrophobicContact CD1-CB 4.15Å; F82-R225 HydrophobicContact CD1-CG 3.86Å; F82-R225 HydrophobicContact CD2-CB 4.01Å; F82-R225 HydrophobicContact CD2-CG 4.48Å; F82-R225 HydrophobicContact CE1-CB 3.82Å; F82-R225 HydrophobicContact CE1-CG 3.81Å; F82-R225 HydrophobicContact CE2-CB 3.7Å; F82-R225 HydrophobicContact CE2-CG 4.47Å; F82-R225 HydrophobicContact CG-CB 4.23Å; F82-R225 HydrophobicContact CG-CG 4.19Å; F82-R225 HydrophobicContact CZ-CB 3.6Å; F82-R225 HydrophobicContact CZ-CG 4.14Å; F82-R225 WeakPolarHBondContact CZ-O 3.41Å; R225-P232 WeakPolarHBondContact O-CA 3.45Å; R225-Y233 PolarHBondContact O-N 3.1Å; R225-L285 HydrophobicContact CG-CD2 3.97Å; R225-D287 IonicContact CZ-OD2 2.76Å; R225-D287 PolarHBondContact N-OD1 3.35Å; R225-D287 IonicContact NE-OD2 3.8Å; R225-D287 PolarHBondContact NE-OD2 2.92Å; R225-D287 IonicContact NH2-OD2 3.82Å; R225-D287 PolarHBondContact NH2-OD2 3.48Å |
| 226 | T | 94.7 | Very high | 94.3 | Very high | 59 Ų | 59 | 29.1 Ų | 29.1 | 36% | 0.362 | 15% | 0.146 | S | C | . | . | B | Isolated β-bridge | trans | -104.2 | 155.2 | 175.2 | 64 | 0 | 0 | 0 | 0 | 112.3 | G224 G230 Y231 | G224-T226 PolarHBondContact O-N 2.99Å; T226-G230 VanDerWaalsContact CG2-O 3.27Å; T226-G230 WeakPolarHBondContact CG2-O 3.35Å; T226-Y231 CarbonylContact C-O 3.55Å; T226-Y231 VanDerWaalsContact CA-O 3.28Å; T226-Y231 WeakPolarHBondContact CA-O 3.35Å |
| 227 | F | 91.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.022 | 15% | 0.146 | C | C | . | . | trans | -129.5 | -135.2 | 178.2 | -153.8 | -107.8 | 0 | 0 | 0 | 108.8 | C229 G230 Y231 L236 L237 Y256 Y260 | F227-C229 PolarHBondContact O-N 2.9Å; F227-G230 PolarHBondContact O-N 3.35Å; F227-Y231 PolarHBondContact N-O 2.85Å; F227-L236 HydrophobicContact CB-CD1 4.08Å; F227-L236 HydrophobicContact CD1-CD1 4.35Å; F227-L237 HydrophobicContact CE1-CD2 4.14Å; F227-L237 HydrophobicContact CE2-CD1 4.36Å; F227-L237 HydrophobicContact CZ-CD1 4.39Å; F227-L237 HydrophobicContact CZ-CD2 4.39Å; F227-Y256 HydrophobicContact CE1-CE1 4.3Å; F227-Y260 WeakPolarHBondContact CA-OH 3.11Å; F227-Y260 HydrophobicContact CB-CE1 4.38Å; F227-Y260 HydrophobicContact CD1-CD2 4.25Å; F227-Y260 HydrophobicContact CD1-CE1 4.49Å; F227-Y260 HydrophobicContact CD1-CE2 4.2Å; F227-Y260 HydrophobicContact CD1-CG 4.41Å; F227-Y260 AromaticContact CD2-CD1 3.27Å; F227-Y260 HydrophobicContact CD2-CD1 3.27Å; F227-Y260 HydrophobicContact CD2-CD2 4.37Å; F227-Y260 AromaticContact CD2-CE1 3.19Å; F227-Y260 HydrophobicContact CD2-CE1 3.19Å; F227-Y260 HydrophobicContact CD2-CE2 4.31Å; F227-Y260 AromaticContact CD2-CG 3.89Å; F227-Y260 HydrophobicContact CD2-CG 3.89Å; F227-Y260 AromaticContact CD2-CZ 3.78Å; F227-Y260 HydrophobicContact CE1-CD1 4.27Å; F227-Y260 AromaticContact CE1-CD2 3.92Å; F227-Y260 HydrophobicContact CE1-CD2 3.92Å; F227-Y260 HydrophobicContact CE1-CE2 4.34Å; F227-Y260 AromaticContact CE1-CG 3.88Å; F227-Y260 HydrophobicContact CE1-CG 3.88Å; F227-Y260 AromaticContact CE2-CD1 2.95Å; F227-Y260 HydrophobicContact CE2-CD1 2.95Å; F227-Y260 HydrophobicContact CE2-CD2 4.08Å; F227-Y260 AromaticContact CE2-CE1 3.48Å; F227-Y260 HydrophobicContact CE2-CE1 3.48Å; F227-Y260 VanDerWaalsContact CE2-CE1 3.48Å; F227-Y260 HydrophobicContact CE2-CE2 4.48Å; F227-Y260 AromaticContact CE2-CG 3.32Å; F227-Y260 HydrophobicContact CE2-CG 3.32Å; F227-Y260 HydrophobicContact CG-CD1 4.07Å; F227-Y260 HydrophobicContact CG-CD2 4.44Å; F227-Y260 AromaticContact CG-CE1 3.77Å; F227-Y260 HydrophobicContact CG-CE1 3.77Å; F227-Y260 HydrophobicContact CG-CE2 4.17Å; F227-Y260 HydrophobicContact CG-CG 4.4Å; F227-Y260 AromaticContact CG-CZ 3.84Å; F227-Y260 AromaticContact CZ-CD1 3.51Å; F227-Y260 HydrophobicContact CZ-CD1 3.51Å; F227-Y260 AromaticContact CZ-CD2 3.83Å; F227-Y260 HydrophobicContact CZ-CD2 3.83Å; F227-Y260 HydrophobicContact CZ-CE1 4.21Å; F227-Y260 HydrophobicContact CZ-CE2 4.48Å; F227-Y260 AromaticContact CZ-CG 3.29Å; F227-Y260 HydrophobicContact CZ-CG 3.29Å; F227-Y260 PolarHBondContact O-OH 3.16Å | ||
| 228 | H | 87.6 | Confident | 94.1 | Very high | 48 Ų | 48 | 22.4 Ų | 22.4 | 22% | 0.222 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -51.1 | 132.5 | 180 | -72.1 | -54.6 | 0 | 0 | 0 | 113.2 | G230 Y231 L236 Y256 Y260 | H228-G230 PolarHBondContact O-N 3.15Å; H228-Y231 PolarHBondContact O-N 3.33Å; H228-L236 HydrophobicContact CB-CD1 3.93Å; H228-Y256 PolarHBondContact CD2-OH 2.71Å; H228-Y256 AromaticContact NE2-CZ 3.61Å; H228-Y256 PolarHBondContact NE2-OH 3.41Å; H228-Y260 AromaticContact CE1-CD2 3.49Å; H228-Y260 VanDerWaalsContact CE1-CD2 3.49Å; H228-Y260 WeakPolarHBondContact CE1-CD2 3.29Å; H228-Y260 AromaticContact CE1-CE2 3.71Å; H228-Y260 AromaticContact ND1-CD2 3.87Å; H228-Y260 AromaticContact ND1-CE2 3.59Å; H228-Y260 AromaticContact NE2-CD2 3.99Å |
| 229 | C | 87.9 | Confident | 94.1 | Very high | 62 Ų | 62 | 18.5 Ų | 18.5 | 42% | 0.419 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | 53.4 | 25.1 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 114.2 | F227 Y231 | F227-C229 PolarHBondContact O-N 2.9Å; C229-Y231 VanDerWaalsContact C-N 3.27Å; C229-Y231 HydrophobicContact CB-CD2 3.93Å; C229-Y231 HydrophobicContact CB-CE2 4.09Å; C229-Y231 PolarHBondContact O-N 2.86Å |
| 230 | G | 90 | Very high | 94 | Very high | 35 Ų | 35 | 19.4 Ų | 19.4 | 36% | 0.361 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | 76 | 7.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | T226 F227 H228 | T226-G230 VanDerWaalsContact CG2-O 3.27Å; T226-G230 WeakPolarHBondContact CG2-O 3.35Å; F227-G230 PolarHBondContact O-N 3.35Å; H228-G230 PolarHBondContact O-N 3.15Å |
| 231 | Y | 93.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 22.6 Ų | 22.6 | 8% | 0.075 | 13% | 0.125 | C | C | . | . | trans | -74.5 | 153.6 | 174.1 | -74.5 | -95.8 | 0 | 0 | 0 | 110.9 | T226 F227 H228 C229 Y233 W494 I497 R498 I515 | T226-Y231 CarbonylContact C-O 3.55Å; T226-Y231 VanDerWaalsContact CA-O 3.28Å; T226-Y231 WeakPolarHBondContact CA-O 3.35Å; F227-Y231 PolarHBondContact N-O 2.85Å; H228-Y231 PolarHBondContact O-N 3.33Å; C229-Y231 VanDerWaalsContact C-N 3.27Å; C229-Y231 HydrophobicContact CB-CD2 3.93Å; C229-Y231 HydrophobicContact CB-CE2 4.09Å; C229-Y231 PolarHBondContact O-N 2.86Å; Y231-Y233 PolarHBondContact O-N 3.43Å; Y231-W494 HydrophobicContact CD1-CE3 4.27Å; Y231-W494 HydrophobicContact CD1-CZ3 4.01Å; Y231-W494 HydrophobicContact CE1-CE3 4.21Å; Y231-W494 HydrophobicContact CE1-CZ3 4.37Å; Y231-I497 HydrophobicContact CD1-CG2 3.94Å; Y231-I497 HydrophobicContact CE1-CG2 4.3Å; Y231-R498 HydrophobicContact CE1-CG 4.11Å; Y231-R498 PolarHBondContact OH-NE 2.98Å; Y231-I515 HydrophobicContact CD2-CG2 3.53Å; Y231-I515 HydrophobicContact CE2-CG2 3.76Å; Y231-I515 HydrophobicContact CG-CG2 3.97Å | ||
| 232 | P | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -51.9 | 137.9 | 173.7 | -26 | 34.4 | 0 | 0 | 0 | 112.3 | N81 F82 R225 D234 V235 I497 | N81-P232 HydrophobicContact CB-CG 4.15Å; F82-P232 HydrophobicContact CE2-CB 4.07Å; F82-P232 HydrophobicContact CE2-CG 4.07Å; F82-P232 HydrophobicContact CZ-CB 3.64Å; F82-P232 HydrophobicContact CZ-CG 4.13Å; R225-P232 WeakPolarHBondContact O-CA 3.45Å; P232-D234 VanDerWaalsContact C-N 3.29Å; P232-D234 WeakPolarHBondContact CB-OD1 3.24Å; P232-D234 PolarHBondContact O-N 2.87Å; P232-V235 HydrophobicContact CB-CG1 4.07Å; P232-V235 HydrophobicContact CB-CG2 3.89Å; P232-V235 HydrophobicContact CG-CG1 4.39Å; P232-V235 HydrophobicContact CG-CG2 4.19Å; P232-V235 VanDerWaalsContact O-CG2 3.29Å; P232-V235 WeakPolarHBondContact O-CG2 3.23Å; P232-I497 HydrophobicContact CG-CG2 4.35Å |
| 233 | Y | 95 | Very high | 93.2 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.5 | -37.9 | -178.4 | 81.2 | -79.9 | 0 | 0 | 0 | 112.1 | N62 F223 R225 Y231 L236 L237 L285 W377 | N62-Y233 WeakPolarHBondContact O-CE1 3.27Å; F223-Y233 HydrophobicContact CD1-CD2 4.2Å; R225-Y233 PolarHBondContact O-N 3.1Å; Y231-Y233 PolarHBondContact O-N 3.43Å; Y233-L236 PolarHBondContact O-N 3.09Å; Y233-L237 HydrophobicContact CD2-CD1 4.26Å; Y233-L237 WeakPolarHBondContact O-CB 3.49Å; Y233-L237 WeakPolarHBondContact O-CG 3.36Å; Y233-L237 PolarHBondContact O-N 3.4Å; Y233-L285 HydrophobicContact CD1-CD2 4.37Å; Y233-L285 HydrophobicContact CE1-CD2 3.62Å; Y233-W377 HydrophobicContact CE2-CH2 4.47Å; Y233-W377 HydrophobicContact CE2-CZ2 4.39Å |
| 234 | D | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.5 | -42.6 | -175.9 | 59.3 | -15.8 | 0 | 0 | 0 | 111.5 | T63 S64 M67 P232 L236 L237 L238 | T63-D234 WeakPolarHBondContact CA-OD2 3.29Å; S64-D234 WeakPolarHBondContact CB-OD1 3.35Å; S64-D234 PolarHBondContact N-OD2 3.33Å; S64-D234 VanDerWaalsContact OG-CG 3.29Å; S64-D234 PolarHBondContact OG-OD1 3.46Å; S64-D234 PolarHBondContact OG-OD2 2.83Å; M67-D234 WeakPolarHBondContact CB-OD2 3.18Å; M67-D234 HydrophobicContact CG-CB 4.48Å; P232-D234 VanDerWaalsContact C-N 3.29Å; P232-D234 WeakPolarHBondContact CB-OD1 3.24Å; P232-D234 PolarHBondContact O-N 2.87Å; D234-L236 PolarHBondContact O-N 3.21Å; D234-L237 PolarHBondContact O-N 3.5Å; D234-L238 HydrophobicContact CB-CD1 4.09Å; D234-L238 WeakPolarHBondContact O-CA 3.39Å; D234-L238 WeakPolarHBondContact O-CB 3.1Å; D234-L238 PolarHBondContact O-N 3.32Å |
| 235 | V | 95.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -25.1 | 175.9 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | S64 M67 P232 P469 W494 I497 | S64-V235 VanDerWaalsContact OG-CG1 3.26Å; S64-V235 WeakPolarHBondContact OG-CG1 3.21Å; M67-V235 HydrophobicContact CG-CG1 3.77Å; M67-V235 HydrophobicContact SD-CG1 4.29Å; P232-V235 HydrophobicContact CB-CG1 4.07Å; P232-V235 HydrophobicContact CB-CG2 3.89Å; P232-V235 HydrophobicContact CG-CG1 4.39Å; P232-V235 HydrophobicContact CG-CG2 4.19Å; P232-V235 VanDerWaalsContact O-CG2 3.29Å; P232-V235 WeakPolarHBondContact O-CG2 3.23Å; V235-P469 HydrophobicContact CB-CB 4.01Å; V235-P469 HydrophobicContact CB-CG 3.87Å; V235-P469 HydrophobicContact CG1-CB 4.48Å; V235-W494 HydrophobicContact CB-CH2 4.45Å; V235-W494 HydrophobicContact CB-CZ3 4.43Å; V235-W494 HydrophobicContact CG2-CH2 4.09Å; V235-W494 HydrophobicContact CG2-CZ3 3.8Å; V235-I497 HydrophobicContact CB-CD1 4.07Å; V235-I497 HydrophobicContact CG1-CD1 3.78Å; V235-I497 HydrophobicContact CG1-CG1 4.49Å; V235-I497 HydrophobicContact CG2-CD1 4.13Å |
| 236 | L | 92.6 | Very high | 92.3 | Very high | 26 Ų | 26 | 30 Ų | 30 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -88.9 | -34.8 | 180 | -66 | 179.9 | 0 | 0 | 0 | 113.1 | F227 H228 Y233 D234 N239 W494 I515 | F227-L236 HydrophobicContact CB-CD1 4.08Å; F227-L236 HydrophobicContact CD1-CD1 4.35Å; H228-L236 HydrophobicContact CB-CD1 3.93Å; Y233-L236 PolarHBondContact O-N 3.09Å; D234-L236 PolarHBondContact O-N 3.21Å; L236-N239 PolarHBondContact O-ND2 2.94Å; L236-W494 HydrophobicContact CD2-CH2 3.93Å; L236-W494 HydrophobicContact CD2-CZ3 4.39Å; L236-I515 HydrophobicContact CD2-CB 4.29Å; L236-I515 HydrophobicContact CD2-CD1 4.44Å; L236-I515 HydrophobicContact CD2-CG2 3.72Å |
| 237 | L | 92.9 | Very high | 92.1 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -98.2 | -27.2 | -175.3 | -61.7 | 179.4 | 0 | 0 | 0 | 113.2 | F227 Y233 D234 N239 C242 V257 W377 | F227-L237 HydrophobicContact CE1-CD2 4.14Å; F227-L237 HydrophobicContact CE2-CD1 4.36Å; F227-L237 HydrophobicContact CZ-CD1 4.39Å; F227-L237 HydrophobicContact CZ-CD2 4.39Å; Y233-L237 HydrophobicContact CD2-CD1 4.26Å; Y233-L237 WeakPolarHBondContact O-CB 3.49Å; Y233-L237 WeakPolarHBondContact O-CG 3.36Å; Y233-L237 PolarHBondContact O-N 3.4Å; D234-L237 PolarHBondContact O-N 3.5Å; L237-N239 VanDerWaalsContact C-N 3.31Å; L237-N239 PolarHBondContact O-N 3.2Å; L237-N239 VanDerWaalsContact O-N 3.17Å; L237-C242 WeakPolarHBondContact O-CB 3.48Å; L237-V257 HydrophobicContact CD1-CG2 4.36Å; L237-V257 HydrophobicContact CD2-CG2 4.34Å; L237-W377 HydrophobicContact CB-CH2 3.47Å; L237-W377 VanDerWaalsContact CB-CH2 3.47Å; L237-W377 HydrophobicContact CB-CZ3 3.95Å; L237-W377 HydrophobicContact CD1-CH2 3.72Å; L237-W377 HydrophobicContact CD1-CZ2 4.16Å; L237-W377 HydrophobicContact CG-CH2 4.24Å |
| 238 | L | 94.5 | Very high | 92.1 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -88.6 | 65.2 | 175.4 | -67 | 175.1 | 0 | 0 | 0 | 111.5 | M67 D234 W377 Y434 C470 | M67-L238 HydrophobicContact CE-CB 3.77Å; M67-L238 HydrophobicContact CE-CD1 3.93Å; D234-L238 HydrophobicContact CB-CD1 4.09Å; D234-L238 WeakPolarHBondContact O-CA 3.39Å; D234-L238 WeakPolarHBondContact O-CB 3.1Å; D234-L238 PolarHBondContact O-N 3.32Å; L238-W377 HydrophobicContact CD2-CE3 3.35Å; L238-W377 HydrophobicContact CD2-CZ3 3.39Å; L238-W377 HydrophobicContact CG-CE3 4Å; L238-W377 HydrophobicContact CG-CZ3 3.64Å; L238-Y434 HydrophobicContact CD1-CG 4.44Å; L238-C470 VanDerWaalsContact O-CB 3.3Å; L238-C470 WeakPolarHBondContact O-CB 3.42Å; L238-C470 PolarHBondContact O-N 3.03Å |
| 239 | N | 93.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -127.4 | 164.4 | 166.1 | 68.8 | 74.1 | 0 | 0 | 0 | 110.6 | L236 L237 L241 C242 F243 I435 G468 | L236-N239 PolarHBondContact O-ND2 2.94Å; L237-N239 VanDerWaalsContact C-N 3.31Å; L237-N239 PolarHBondContact O-N 3.2Å; L237-N239 VanDerWaalsContact O-N 3.17Å; N239-L241 PolarHBondContact O-N 2.92Å; N239-L241 WeakPolarHBondContact OD1-CB 3.49Å; N239-L241 PolarHBondContact OD1-N 3.18Å; N239-L241 VanDerWaalsContact OD1-N 3.12Å; N239-C242 PolarHBondContact ND2-SG 3.41Å; N239-C242 PolarHBondContact O-N 2.83Å; N239-C242 PolarHBondContact OD1-N 3.12Å; N239-F243 WeakPolarHBondContact O-CB 3.42Å; N239-F243 PolarHBondContact O-N 3.46Å; N239-I435 WeakPolarHBondContact O-CD1 3.48Å; N239-G468 WeakPolarHBondContact CB-O 3.26Å |
| 240 | R | 93.4 | Very high | 92.5 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.7 | -32.9 | -172.3 | -61 | -172.5 | 174.5 | -77 | -6.8 | 112.7 | M244 D439 P449 I465 F466 | R240-M244 WeakPolarHBondContact O-CB 3.36Å; R240-M244 PolarHBondContact O-N 3.04Å; R240-D439 IonicContact CZ-OD1 2.63Å; R240-D439 IonicContact CZ-OD2 2.96Å; R240-D439 VanDerWaalsContact NH1-CG 3.3Å; R240-D439 IonicContact NH1-OD1 2.88Å; R240-D439 PolarHBondContact NH1-OD1 3.49Å; R240-D439 VanDerWaalsContact NH1-OD1 3.11Å; R240-D439 IonicContact NH1-OD2 3.16Å; R240-D439 PolarHBondContact NH1-OD2 2.96Å; R240-D439 IonicContact NH2-OD1 3.02Å; R240-D439 PolarHBondContact NH2-OD1 2.82Å; R240-D439 IonicContact NH2-OD2 3.21Å; R240-P449 VanDerWaalsContact NH2-CG 3.29Å; R240-I465 WeakPolarHBondContact CD-O 3.38Å; R240-I465 WeakPolarHBondContact CG-O 3.4Å; R240-F466 HydrophobicContact CB-CD2 4.1Å; R240-F466 HydrophobicContact CB-CE2 4.49Å; R240-F466 WeakPolarHBondContact CB-O 3.47Å; R240-F466 PolarHBondContact N-O 3.26Å |
| 241 | L | 90.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.7 | -50.1 | 173.5 | 174.7 | 67.2 | 0 | 0 | 0 | 111.5 | N239 F243 M244 V245 F466 L467 | N239-L241 PolarHBondContact O-N 2.92Å; N239-L241 WeakPolarHBondContact OD1-CB 3.49Å; N239-L241 PolarHBondContact OD1-N 3.18Å; N239-L241 VanDerWaalsContact OD1-N 3.12Å; L241-F243 VanDerWaalsContact C-N 3.27Å; L241-F243 PolarHBondContact O-N 2.93Å; L241-M244 WeakPolarHBondContact O-CB 3.38Å; L241-M244 PolarHBondContact O-N 3.45Å; L241-M244 VanDerWaalsContact O-N 3.1Å; L241-V245 HydrophobicContact CD1-CG2 4.43Å; L241-V245 WeakPolarHBondContact O-CG2 3.43Å; L241-V245 PolarHBondContact O-N 3.43Å; L241-F466 HydrophobicContact CB-CE1 4.42Å; L241-F466 HydrophobicContact CB-CZ 4.37Å; L241-F466 HydrophobicContact CD1-CE1 4.45Å; L241-F466 HydrophobicContact CD1-CZ 4.28Å; L241-F466 PolarHBondContact N-O 3.15Å; L241-L467 HydrophobicContact CB-CD2 3.76Å; L241-L467 HydrophobicContact CD2-CD2 3.42Å; L241-L467 VanDerWaalsContact CD2-CD2 3.42Å; L241-L467 HydrophobicContact CG-CD2 4.15Å |
| 242 | C | 90.8 | Very high | 92.3 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 26% | 0.264 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 177.2 | -77.2 | 0 | 0 | 0 | 0 | 111.3 | L237 N239 V245 M246 | L237-C242 WeakPolarHBondContact O-CB 3.48Å; N239-C242 PolarHBondContact ND2-SG 3.41Å; N239-C242 PolarHBondContact O-N 2.83Å; N239-C242 PolarHBondContact OD1-N 3.12Å; C242-V245 PolarHBondContact O-N 3.15Å; C242-M246 WeakPolarHBondContact O-CG 3.48Å; C242-M246 PolarHBondContact O-N 2.91Å |
| 243 | F | 90.9 | Very high | 92 | Very high | 46 Ų | 46 | 53.6 Ų | 53.6 | 20% | 0.202 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 173.4 | 178.7 | -101.9 | 0 | 0 | 0 | 112.7 | N239 L241 V245 M246 K247 I435 P436 | N239-F243 WeakPolarHBondContact O-CB 3.42Å; N239-F243 PolarHBondContact O-N 3.46Å; L241-F243 VanDerWaalsContact C-N 3.27Å; L241-F243 PolarHBondContact O-N 2.93Å; F243-V245 VanDerWaalsContact C-N 3.32Å; F243-V245 PolarHBondContact O-N 3.01Å; F243-M246 HydrophobicContact CB-CE 4.37Å; F243-M246 HydrophobicContact CD2-CE 4.26Å; F243-M246 PolarHBondContact O-N 3.45Å; F243-K247 HydrophobicContact CE1-CB 4.4Å; F243-K247 HydrophobicContact CE1-CD 4.22Å; F243-K247 HydrophobicContact CZ-CB 4.28Å; F243-K247 HydrophobicContact CZ-CD 4.36Å; F243-K247 WeakPolarHBondContact O-CB 3.47Å; F243-K247 PolarHBondContact O-N 2.87Å; F243-I435 HydrophobicContact CB-CD1 4.05Å; F243-P436 HydrophobicContact CD2-CG 3.95Å; F243-P436 HydrophobicContact CE1-CG 3.84Å; F243-P436 HydrophobicContact CE2-CG 3.18Å; F243-P436 HydrophobicContact CZ-CB 4.33Å; F243-P436 HydrophobicContact CZ-CG 3.14Å |
| 244 | M | 91 | Very high | 91.9 | Very high | 83 Ų | 83 | 54.2 Ų | 54.2 | 41% | 0.409 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 174.6 | -176.8 | -176.6 | -63.4 | 0 | 0 | 111.5 | R240 L241 K247 Y248 F466 | R240-M244 WeakPolarHBondContact O-CB 3.36Å; R240-M244 PolarHBondContact O-N 3.04Å; L241-M244 WeakPolarHBondContact O-CB 3.38Å; L241-M244 PolarHBondContact O-N 3.45Å; L241-M244 VanDerWaalsContact O-N 3.1Å; M244-K247 PolarHBondContact O-N 3.49Å; M244-Y248 HydrophobicContact CG-CD2 3.61Å; M244-Y248 HydrophobicContact CG-CE2 3.72Å; M244-Y248 WeakPolarHBondContact O-CD2 3.19Å; M244-Y248 PolarHBondContact O-N 3.43Å; M244-F466 HydrophobicContact CE-CE2 3.7Å; M244-F466 HydrophobicContact CE-CZ 3.9Å |
| 245 | V | 89.6 | Confident | 91.8 | Very high | 42 Ų | 42 | 63 Ų | 63 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | L241 C242 F243 K247 F249 F252 A253 | L241-V245 HydrophobicContact CD1-CG2 4.43Å; L241-V245 WeakPolarHBondContact O-CG2 3.43Å; L241-V245 PolarHBondContact O-N 3.43Å; C242-V245 PolarHBondContact O-N 3.15Å; F243-V245 VanDerWaalsContact C-N 3.32Å; F243-V245 PolarHBondContact O-N 3.01Å; V245-K247 VanDerWaalsContact C-N 3.31Å; V245-K247 PolarHBondContact O-N 3.38Å; V245-F249 HydrophobicContact CG1-CB 4.48Å; V245-F249 CarbonylContact O-C 3.29Å; V245-F249 VanDerWaalsContact O-C 3.28Å; V245-F249 VanDerWaalsContact O-CA 3.26Å; V245-F249 WeakPolarHBondContact O-CA 3.28Å; V245-F249 WeakPolarHBondContact O-CB 3.46Å; V245-F249 PolarHBondContact O-N 2.91Å; V245-F252 HydrophobicContact CG1-CD1 4.07Å; V245-A253 HydrophobicContact CG1-CB 4.43Å |
| 246 | M | 90 | Very high | 91.7 | Very high | 35 Ų | 35 | 67.8 Ų | 67.8 | 17% | 0.172 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 175.2 | -75.3 | -172.3 | -65.5 | 0 | 0 | 112.3 | C242 F243 P250 A253 F279 | C242-M246 WeakPolarHBondContact O-CG 3.48Å; C242-M246 PolarHBondContact O-N 2.91Å; F243-M246 HydrophobicContact CB-CE 4.37Å; F243-M246 HydrophobicContact CD2-CE 4.26Å; F243-M246 PolarHBondContact O-N 3.45Å; M246-P250 VanDerWaalsContact O-CA 3.29Å; M246-P250 WeakPolarHBondContact O-CA 3.37Å; M246-P250 WeakPolarHBondContact O-CB 3.46Å; M246-A253 HydrophobicContact CB-CB 4.34Å; M246-A253 HydrophobicContact CG-CB 3.61Å; M246-F279 HydrophobicContact CG-CE2 4.2Å; M246-F279 HydrophobicContact CG-CZ 4.28Å; M246-F279 HydrophobicContact SD-CD1 4.32Å; M246-F279 HydrophobicContact SD-CD2 4.48Å; M246-F279 HydrophobicContact SD-CE1 3.76Å; M246-F279 HydrophobicContact SD-CE2 3.93Å; M246-F279 HydrophobicContact SD-CZ 3.53Å; M246-F279 VanDerWaalsContact SD-CZ 3.53Å |
| 247 | K | 90.3 | Very high | 91.8 | Very high | 128 Ų | 128 | 66.7 Ų | 66.7 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.2 | -46.1 | -179.6 | -179.1 | 176.2 | 179.3 | 177.8 | 0 | 112.5 | F243 M244 V245 | F243-K247 HydrophobicContact CE1-CB 4.4Å; F243-K247 HydrophobicContact CE1-CD 4.22Å; F243-K247 HydrophobicContact CZ-CB 4.28Å; F243-K247 HydrophobicContact CZ-CD 4.36Å; F243-K247 WeakPolarHBondContact O-CB 3.47Å; F243-K247 PolarHBondContact O-N 2.87Å; M244-K247 PolarHBondContact O-N 3.49Å; V245-K247 VanDerWaalsContact C-N 3.31Å; V245-K247 PolarHBondContact O-N 3.38Å |
| 248 | Y | 92.1 | Very high | 91.9 | Very high | 147 Ų | 147 | 67.9 Ų | 67.9 | 58% | 0.576 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -93.7 | -22.4 | -174.2 | -64.5 | -63.7 | 0 | 0 | 0 | 113.7 | M244 | M244-Y248 HydrophobicContact CG-CD2 3.61Å; M244-Y248 HydrophobicContact CG-CE2 3.72Å; M244-Y248 WeakPolarHBondContact O-CD2 3.19Å; M244-Y248 PolarHBondContact O-N 3.43Å |
| 249 | F | 92.7 | Very high | 91.9 | Very high | 132 Ų | 132 | 74.8 Ų | 74.8 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | trans | -136.1 | 58.4 | -178.2 | -51.8 | -75.7 | 0 | 0 | 0 | 111.9 | V245 S251 F252 A253 | V245-F249 HydrophobicContact CG1-CB 4.48Å; V245-F249 CarbonylContact O-C 3.29Å; V245-F249 VanDerWaalsContact O-C 3.28Å; V245-F249 VanDerWaalsContact O-CA 3.26Å; V245-F249 WeakPolarHBondContact O-CA 3.28Å; V245-F249 WeakPolarHBondContact O-CB 3.46Å; V245-F249 PolarHBondContact O-N 2.91Å; F249-S251 PolarHBondContact O-N 3.18Å; F249-F252 HydrophobicContact CB-CB 4.08Å; F249-F252 PolarHBondContact O-N 2.91Å; F249-F252 VanDerWaalsContact O-N 3.13Å; F249-A253 PolarHBondContact O-N 3.17Å | ||
| 250 | P | 90.9 | Very high | 91.9 | Very high | 76 Ų | 76 | 76.7 Ų | 76.7 | 49% | 0.494 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.3 | -41.5 | -171.9 | 21.8 | -33.6 | 0 | 0 | 0 | 113.5 | M246 F252 A253 S254 | M246-P250 VanDerWaalsContact O-CA 3.29Å; M246-P250 WeakPolarHBondContact O-CA 3.37Å; M246-P250 WeakPolarHBondContact O-CB 3.46Å; P250-F252 VanDerWaalsContact C-N 3.34Å; P250-F252 PolarHBondContact O-N 3.23Å; P250-A253 PolarHBondContact O-N 2.88Å; P250-S254 WeakPolarHBondContact O-CB 3.35Å; P250-S254 PolarHBondContact O-N 3.26Å |
| 251 | S | 91.3 | Very high | 92 | Very high | 93 Ų | 93 | 75.5 Ų | 75.5 | 65% | 0.65 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.5 | -35.9 | 179.6 | -50.6 | 0 | 0 | 0 | 0 | 112.8 | F249 R255 | F249-S251 PolarHBondContact O-N 3.18Å; S251-R255 WeakPolarHBondContact O-CB 3.12Å; S251-R255 PolarHBondContact O-N 2.72Å |
| 252 | F | 88.6 | Confident | 92.3 | Very high | 139 Ų | 139 | 74.4 Ų | 74.4 | 61% | 0.61 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68 | -46.9 | 175.9 | 177.4 | -98.2 | 0 | 0 | 0 | 110.7 | V245 F249 P250 S254 R255 Y256 | V245-F252 HydrophobicContact CG1-CD1 4.07Å; F249-F252 HydrophobicContact CB-CB 4.08Å; F249-F252 PolarHBondContact O-N 2.91Å; F249-F252 VanDerWaalsContact O-N 3.13Å; P250-F252 VanDerWaalsContact C-N 3.34Å; P250-F252 PolarHBondContact O-N 3.23Å; F252-S254 PolarHBondContact O-N 2.79Å; F252-R255 PolarHBondContact O-N 3.22Å; F252-Y256 WeakPolarHBondContact O-CB 3.19Å; F252-Y256 PolarHBondContact O-N 2.87Å |
| 253 | A | 90.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 76.1 Ų | 76.1 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V245 M246 F249 P250 Y256 V257 F279 | V245-A253 HydrophobicContact CG1-CB 4.43Å; M246-A253 HydrophobicContact CB-CB 4.34Å; M246-A253 HydrophobicContact CG-CB 3.61Å; F249-A253 PolarHBondContact O-N 3.17Å; P250-A253 PolarHBondContact O-N 2.88Å; A253-Y256 PolarHBondContact O-N 3.2Å; A253-V257 PolarHBondContact O-N 3.32Å; A253-V257 VanDerWaalsContact O-N 3.08Å; A253-F279 HydrophobicContact CB-CE2 3.99Å |
| 254 | S | 93.5 | Very high | 92.6 | Very high | 19 Ų | 19 | 78.1 Ų | 78.1 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -51.8 | 177.8 | -157.7 | 0 | 0 | 0 | 0 | 110.4 | P250 F252 Y256 V257 E258 V278 | P250-S254 WeakPolarHBondContact O-CB 3.35Å; P250-S254 PolarHBondContact O-N 3.26Å; F252-S254 PolarHBondContact O-N 2.79Å; S254-Y256 VanDerWaalsContact C-N 3.3Å; S254-Y256 PolarHBondContact O-N 3.44Å; S254-V257 PolarHBondContact O-N 2.99Å; S254-E258 WeakPolarHBondContact O-CB 3.15Å; S254-E258 WeakPolarHBondContact O-CG 3.28Å; S254-E258 PolarHBondContact O-N 3.05Å; S254-E258 PolarHBondContact OG-OE1 2.96Å; S254-V278 PolarHBondContact OG-N 2.93Å |
| 255 | R | 93.8 | Very high | 92.8 | Very high | 184 Ų | 184 | 74.6 Ų | 74.6 | 69% | 0.694 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.8 | -37.9 | 180 | -175.1 | 175.2 | -65.2 | 160.4 | 1.2 | 112.7 | S251 F252 F259 | S251-R255 WeakPolarHBondContact O-CB 3.12Å; S251-R255 PolarHBondContact O-N 2.72Å; F252-R255 PolarHBondContact O-N 3.22Å; R255-F259 WeakPolarHBondContact O-CB 3.4Å; R255-F259 PolarHBondContact O-N 3.19Å |
| 256 | Y | 92.3 | Very high | 93.2 | Very high | 102 Ų | 102 | 76 Ų | 76 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 177.3 | 169.8 | -103.6 | 0 | 0 | 0 | 112.2 | F227 H228 F252 A253 S254 F259 Y260 | F227-Y256 HydrophobicContact CE1-CE1 4.3Å; H228-Y256 PolarHBondContact CD2-OH 2.71Å; H228-Y256 AromaticContact NE2-CZ 3.61Å; H228-Y256 PolarHBondContact NE2-OH 3.41Å; F252-Y256 WeakPolarHBondContact O-CB 3.19Å; F252-Y256 PolarHBondContact O-N 2.87Å; A253-Y256 PolarHBondContact O-N 3.2Å; S254-Y256 VanDerWaalsContact C-N 3.3Å; S254-Y256 PolarHBondContact O-N 3.44Å; Y256-F259 PolarHBondContact O-N 2.88Å; Y256-Y260 PolarHBondContact O-N 3.05Å; Y256-Y260 VanDerWaalsContact O-N 3.1Å |
| 257 | V | 93.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 178 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | F223 L237 A253 S254 F259 Y260 L261 V278 F279 | F223-V257 HydrophobicContact CE1-CG1 3.78Å; F223-V257 HydrophobicContact CZ-CG1 3.83Å; L237-V257 HydrophobicContact CD1-CG2 4.36Å; L237-V257 HydrophobicContact CD2-CG2 4.34Å; A253-V257 PolarHBondContact O-N 3.32Å; A253-V257 VanDerWaalsContact O-N 3.08Å; S254-V257 PolarHBondContact O-N 2.99Å; V257-F259 VanDerWaalsContact C-N 3.33Å; V257-F259 PolarHBondContact O-N 3.32Å; V257-Y260 WeakPolarHBondContact O-CB 3.4Å; V257-Y260 PolarHBondContact O-N 3.49Å; V257-Y260 VanDerWaalsContact O-N 3.15Å; V257-L261 HydrophobicContact CG1-CD1 4.23Å; V257-L261 HydrophobicContact CG1-CG 4.26Å; V257-L261 WeakPolarHBondContact O-CG 3.42Å; V257-L261 PolarHBondContact O-N 2.87Å; V257-V278 HydrophobicContact CB-CG1 3.97Å; V257-V278 HydrophobicContact CG1-CG1 4.01Å; V257-V278 HydrophobicContact CG1-CG2 3.91Å; V257-F279 HydrophobicContact CB-CZ 4.21Å; V257-F279 HydrophobicContact CG2-CE2 4.36Å; V257-F279 HydrophobicContact CG2-CZ 3.68Å |
| 258 | E | 95.8 | Very high | 93.9 | Very high | 38 Ų | 38 | 70.5 Ų | 70.5 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 174.5 | -71.9 | 164.8 | -154 | 0 | 0 | 112.1 | W221 S254 Y260 L261 N262 G277 V278 | W221-E258 HydrophobicContact CD2-CG 4.43Å; W221-E258 HydrophobicContact CH2-CB 4.31Å; W221-E258 HydrophobicContact CH2-CG 4.01Å; W221-E258 HydrophobicContact CZ2-CG 3.83Å; W221-E258 HydrophobicContact CZ3-CG 4.4Å; S254-E258 WeakPolarHBondContact O-CB 3.15Å; S254-E258 WeakPolarHBondContact O-CG 3.28Å; S254-E258 PolarHBondContact O-N 3.05Å; S254-E258 PolarHBondContact OG-OE1 2.96Å; E258-Y260 VanDerWaalsContact C-N 3.33Å; E258-Y260 PolarHBondContact O-N 3.22Å; E258-L261 PolarHBondContact O-N 2.94Å; E258-N262 WeakPolarHBondContact O-CB 3.48Å; E258-N262 PolarHBondContact O-N 2.8Å; E258-N262 PolarHBondContact O-ND2 2.73Å; E258-G277 WeakPolarHBondContact OE1-CA 3.48Å; E258-V278 HydrophobicContact CG-CB 3.84Å; E258-V278 HydrophobicContact CG-CG1 4.02Å; E258-V278 PolarHBondContact OE1-N 3.3Å; E258-V278 VanDerWaalsContact OE1-N 3.11Å |
| 259 | F | 95.1 | Very high | 94.1 | Very high | 150 Ų | 150 | 70.1 Ų | 70.1 | 66% | 0.658 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.1 | -47 | 174.6 | 171.6 | -96.5 | 0 | 0 | 0 | 111.1 | R255 Y256 V257 N262 A263 | R255-F259 WeakPolarHBondContact O-CB 3.4Å; R255-F259 PolarHBondContact O-N 3.19Å; Y256-F259 PolarHBondContact O-N 2.88Å; V257-F259 VanDerWaalsContact C-N 3.33Å; V257-F259 PolarHBondContact O-N 3.32Å; F259-N262 PolarHBondContact O-N 3.25Å; F259-A263 WeakPolarHBondContact O-CB 3.26Å; F259-A263 PolarHBondContact O-N 3.21Å |
| 260 | Y | 93.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 66.2 Ų | 66.2 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 177.8 | -177.7 | -81.5 | 0 | 0 | 0 | 112 | F227 H228 Y256 V257 E258 N262 A263 R264 | F227-Y260 WeakPolarHBondContact CA-OH 3.11Å; F227-Y260 HydrophobicContact CB-CE1 4.38Å; F227-Y260 HydrophobicContact CD1-CD2 4.25Å; F227-Y260 HydrophobicContact CD1-CE1 4.49Å; F227-Y260 HydrophobicContact CD1-CE2 4.2Å; F227-Y260 HydrophobicContact CD1-CG 4.41Å; F227-Y260 AromaticContact CD2-CD1 3.27Å; F227-Y260 HydrophobicContact CD2-CD1 3.27Å; F227-Y260 HydrophobicContact CD2-CD2 4.37Å; F227-Y260 AromaticContact CD2-CE1 3.19Å; F227-Y260 HydrophobicContact CD2-CE1 3.19Å; F227-Y260 HydrophobicContact CD2-CE2 4.31Å; F227-Y260 AromaticContact CD2-CG 3.89Å; F227-Y260 HydrophobicContact CD2-CG 3.89Å; F227-Y260 AromaticContact CD2-CZ 3.78Å; F227-Y260 HydrophobicContact CE1-CD1 4.27Å; F227-Y260 AromaticContact CE1-CD2 3.92Å; F227-Y260 HydrophobicContact CE1-CD2 3.92Å; F227-Y260 HydrophobicContact CE1-CE2 4.34Å; F227-Y260 AromaticContact CE1-CG 3.88Å; F227-Y260 HydrophobicContact CE1-CG 3.88Å; F227-Y260 AromaticContact CE2-CD1 2.95Å; F227-Y260 HydrophobicContact CE2-CD1 2.95Å; F227-Y260 HydrophobicContact CE2-CD2 4.08Å; F227-Y260 AromaticContact CE2-CE1 3.48Å; F227-Y260 HydrophobicContact CE2-CE1 3.48Å; F227-Y260 VanDerWaalsContact CE2-CE1 3.48Å; F227-Y260 HydrophobicContact CE2-CE2 4.48Å; F227-Y260 AromaticContact CE2-CG 3.32Å; F227-Y260 HydrophobicContact CE2-CG 3.32Å; F227-Y260 HydrophobicContact CG-CD1 4.07Å; F227-Y260 HydrophobicContact CG-CD2 4.44Å; F227-Y260 AromaticContact CG-CE1 3.77Å; F227-Y260 HydrophobicContact CG-CE1 3.77Å; F227-Y260 HydrophobicContact CG-CE2 4.17Å; F227-Y260 HydrophobicContact CG-CG 4.4Å; F227-Y260 AromaticContact CG-CZ 3.84Å; F227-Y260 AromaticContact CZ-CD1 3.51Å; F227-Y260 HydrophobicContact CZ-CD1 3.51Å; F227-Y260 AromaticContact CZ-CD2 3.83Å; F227-Y260 HydrophobicContact CZ-CD2 3.83Å; F227-Y260 HydrophobicContact CZ-CE1 4.21Å; F227-Y260 HydrophobicContact CZ-CE2 4.48Å; F227-Y260 AromaticContact CZ-CG 3.29Å; F227-Y260 HydrophobicContact CZ-CG 3.29Å; F227-Y260 PolarHBondContact O-OH 3.16Å; H228-Y260 AromaticContact CE1-CD2 3.49Å; H228-Y260 VanDerWaalsContact CE1-CD2 3.49Å; H228-Y260 WeakPolarHBondContact CE1-CD2 3.29Å; H228-Y260 AromaticContact CE1-CE2 3.71Å; H228-Y260 AromaticContact ND1-CD2 3.87Å; H228-Y260 AromaticContact ND1-CE2 3.59Å; H228-Y260 AromaticContact NE2-CD2 3.99Å; Y256-Y260 PolarHBondContact O-N 3.05Å; Y256-Y260 VanDerWaalsContact O-N 3.1Å; V257-Y260 WeakPolarHBondContact O-CB 3.4Å; V257-Y260 PolarHBondContact O-N 3.49Å; V257-Y260 VanDerWaalsContact O-N 3.15Å; E258-Y260 VanDerWaalsContact C-N 3.33Å; E258-Y260 PolarHBondContact O-N 3.22Å; Y260-N262 VanDerWaalsContact C-N 3.32Å; Y260-N262 PolarHBondContact O-N 3.4Å; Y260-A263 WeakPolarHBondContact O-CB 3.45Å; Y260-A263 PolarHBondContact O-N 2.91Å; Y260-R264 PolarHBondContact O-N 2.98Å |
| 261 | L | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 179.9 | -65.6 | -175.9 | 0 | 0 | 0 | 111.4 | W221 F223 V257 E258 A263 R264 F265 V278 | W221-L261 HydrophobicContact CB-CD1 4.03Å; W221-L261 HydrophobicContact CE3-CD1 4.31Å; F223-L261 HydrophobicContact CD1-CD1 4.49Å; F223-L261 HydrophobicContact CD1-CD2 3.9Å; F223-L261 HydrophobicContact CD2-CD1 4.13Å; F223-L261 HydrophobicContact CE1-CD1 4.2Å; F223-L261 HydrophobicContact CE1-CD2 4.2Å; F223-L261 HydrophobicContact CE2-CD1 3.83Å; F223-L261 HydrophobicContact CG-CD1 4.46Å; F223-L261 HydrophobicContact CG-CD2 4.1Å; F223-L261 HydrophobicContact CZ-CD1 3.88Å; V257-L261 HydrophobicContact CG1-CD1 4.23Å; V257-L261 HydrophobicContact CG1-CG 4.26Å; V257-L261 WeakPolarHBondContact O-CG 3.42Å; V257-L261 PolarHBondContact O-N 2.87Å; E258-L261 PolarHBondContact O-N 2.94Å; L261-A263 VanDerWaalsContact C-N 3.35Å; L261-R264 WeakPolarHBondContact O-CB 3.41Å; L261-R264 PolarHBondContact O-N 3.44Å; L261-F265 PolarHBondContact O-N 2.86Å; L261-V278 HydrophobicContact CD1-CG2 3.84Å |
| 262 | N | 96.5 | Very high | 94.8 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.5 | -29 | 176.4 | -72.3 | -61.3 | 0 | 0 | 0 | 113.3 | W221 E258 F259 Y260 R264 F265 D266 H267 | W221-N262 WeakPolarHBondContact CZ3-ND2 3.36Å; E258-N262 WeakPolarHBondContact O-CB 3.48Å; E258-N262 PolarHBondContact O-N 2.8Å; E258-N262 PolarHBondContact O-ND2 2.73Å; F259-N262 PolarHBondContact O-N 3.25Å; Y260-N262 VanDerWaalsContact C-N 3.32Å; Y260-N262 PolarHBondContact O-N 3.4Å; N262-R264 VanDerWaalsContact C-N 3.27Å; N262-R264 PolarHBondContact O-N 3.14Å; N262-F265 VanDerWaalsContact CA-O 3.31Å; N262-F265 WeakPolarHBondContact CA-O 3.27Å; N262-F265 CarbonylContact O-C 3.57Å; N262-F265 PolarHBondContact O-N 3.45Å; N262-D266 PolarHBondContact O-N 2.82Å; N262-H267 PolarHBondContact OD1-N 3.38Å |
| 263 | A | 93.9 | Very high | 95.2 | Very high | 76 Ų | 76 | 61.2 Ų | 61.2 | 63% | 0.628 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.2 | -29 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | F259 Y260 L261 | F259-A263 WeakPolarHBondContact O-CB 3.26Å; F259-A263 PolarHBondContact O-N 3.21Å; Y260-A263 WeakPolarHBondContact O-CB 3.45Å; Y260-A263 PolarHBondContact O-N 2.91Å; L261-A263 VanDerWaalsContact C-N 3.35Å |
| 264 | R | 93.1 | Very high | 95.5 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 33% | 0.328 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.2 | -48.1 | 169.8 | -177.4 | -174.8 | 166.1 | -148.7 | -6.7 | 110.8 | G224 Y260 L261 N262 S286 D287 | G224-R264 VanDerWaalsContact CA-NH1 3.31Å; G224-R264 VanDerWaalsContact N-NH1 3.11Å; Y260-R264 PolarHBondContact O-N 2.98Å; L261-R264 WeakPolarHBondContact O-CB 3.41Å; L261-R264 PolarHBondContact O-N 3.44Å; N262-R264 VanDerWaalsContact C-N 3.27Å; N262-R264 PolarHBondContact O-N 3.14Å; R264-S286 PolarHBondContact NH1-O 3.46Å; R264-S286 PolarHBondContact NH2-O 2.93Å; R264-D287 PolarHBondContact NH2-O 2.94Å |
| 265 | F | 95.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 4% | 0.044 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -165.4 | 140.5 | 169.3 | 72.9 | -76.5 | 0 | 0 | 0 | 110.4 | T222 L261 N262 H267 Y270 I272 P290 | T222-F265 WeakPolarHBondContact OG1-CE1 3.48Å; T222-F265 WeakPolarHBondContact OG1-CZ 3.48Å; L261-F265 PolarHBondContact O-N 2.86Å; N262-F265 VanDerWaalsContact CA-O 3.31Å; N262-F265 WeakPolarHBondContact CA-O 3.27Å; N262-F265 CarbonylContact O-C 3.57Å; N262-F265 PolarHBondContact O-N 3.45Å; F265-H267 AromaticContact CE1-CE1 3.68Å; F265-H267 AromaticContact CZ-CE1 3.64Å; F265-H267 AromaticContact CZ-NE2 3.78Å; F265-H267 PolarHBondContact O-N 2.96Å; F265-H267 PolarHBondContact O-ND1 2.63Å; F265-H267 VanDerWaalsContact O-ND1 3.1Å; F265-Y270 HydrophobicContact CB-CD2 4.41Å; F265-Y270 HydrophobicContact CB-CE2 3.87Å; F265-Y270 AromaticContact CD2-CD1 3.74Å; F265-Y270 HydrophobicContact CD2-CD1 3.74Å; F265-Y270 AromaticContact CD2-CD2 3.67Å; F265-Y270 HydrophobicContact CD2-CD2 3.67Å; F265-Y270 AromaticContact CD2-CE1 3.99Å; F265-Y270 HydrophobicContact CD2-CE1 3.99Å; F265-Y270 AromaticContact CD2-CE2 3.91Å; F265-Y270 HydrophobicContact CD2-CE2 3.91Å; F265-Y270 AromaticContact CD2-CG 3.56Å; F265-Y270 HydrophobicContact CD2-CG 3.56Å; F265-Y270 HydrophobicContact CE2-CD1 4.06Å; F265-Y270 HydrophobicContact CE2-CD2 4.49Å; F265-Y270 AromaticContact CE2-CG 3.97Å; F265-Y270 HydrophobicContact CE2-CG 3.97Å; F265-Y270 HydrophobicContact CG-CE2 4.4Å; F265-I272 HydrophobicContact CE2-CD1 3.73Å; F265-I272 HydrophobicContact CE2-CG1 4.49Å; F265-I272 HydrophobicContact CZ-CD1 3.92Å; F265-P290 HydrophobicContact CB-CB 4.21Å; F265-P290 HydrophobicContact CB-CG 4.42Å; F265-P290 HydrophobicContact CD1-CB 3.98Å; F265-P290 HydrophobicContact CD1-CG 3.26Å; F265-P290 HydrophobicContact CD2-CB 4.23Å; F265-P290 HydrophobicContact CD2-CG 4.11Å; F265-P290 HydrophobicContact CE1-CB 4.38Å; F265-P290 HydrophobicContact CE1-CG 3.31Å; F265-P290 HydrophobicContact CE2-CG 4.12Å; F265-P290 HydrophobicContact CG-CB 3.87Å; F265-P290 HydrophobicContact CG-CG 3.66Å; F265-P290 HydrophobicContact CZ-CG 3.72Å |
| 266 | D | 96.9 | Very high | 95.5 | Very high | 70 Ų | 70 | 63.4 Ų | 63.4 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | trans | -71.9 | 114.5 | -176.7 | -178.7 | -14.2 | 0 | 0 | 0 | 111 | N262 A268 L269 Y270 | N262-D266 PolarHBondContact O-N 2.82Å; D266-A268 PolarHBondContact O-N 3.42Å; D266-A268 WeakPolarHBondContact OD1-CA 3.34Å; D266-A268 VanDerWaalsContact OD1-CB 3.32Å; D266-A268 WeakPolarHBondContact OD1-CB 3.36Å; D266-A268 PolarHBondContact OD1-N 2.99Å; D266-L269 HydrophobicContact CB-CB 3.8Å; D266-L269 PolarHBondContact O-N 2.96Å; D266-L269 PolarHBondContact OD1-N 3.06Å; D266-Y270 WeakPolarHBondContact O-CD2 3.4Å; D266-Y270 PolarHBondContact O-N 2.86Å; D266-Y270 VanDerWaalsContact O-N 3.07Å | ||
| 267 | H | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.7 | -176.9 | -71.9 | 55.3 | 0 | 0 | 0 | 112.5 | W221 T222 N262 F265 G271 I272 R273 | W221-H267 HydrophobicContact CE3-CB 4.33Å; W221-H267 AromaticContact CE3-CD2 3.72Å; W221-H267 AromaticContact CE3-CG 3.82Å; W221-H267 HydrophobicContact CZ3-CB 3.98Å; W221-H267 AromaticContact CZ3-CG 3.84Å; T222-H267 PolarHBondContact N-NE2 2.99Å; T222-H267 PolarHBondContact OG1-NE2 3.07Å; N262-H267 PolarHBondContact OD1-N 3.38Å; F265-H267 AromaticContact CE1-CE1 3.68Å; F265-H267 AromaticContact CZ-CE1 3.64Å; F265-H267 AromaticContact CZ-NE2 3.78Å; F265-H267 PolarHBondContact O-N 2.96Å; F265-H267 PolarHBondContact O-ND1 2.63Å; F265-H267 VanDerWaalsContact O-ND1 3.1Å; H267-G271 PolarHBondContact O-N 2.75Å; H267-I272 HydrophobicContact CB-CG1 4.14Å; H267-I272 CarbonylContact O-C 3.47Å; H267-I272 PolarHBondContact O-N 3.43Å; H267-R273 HydrophobicContact CB-CB 4.05Å; H267-R273 PolarHBondContact O-N 3.32Å |
| 268 | A | 97.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 41% | 0.405 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D266 Y270 G271 R273 | D266-A268 PolarHBondContact O-N 3.42Å; D266-A268 WeakPolarHBondContact OD1-CA 3.34Å; D266-A268 VanDerWaalsContact OD1-CB 3.32Å; D266-A268 WeakPolarHBondContact OD1-CB 3.36Å; D266-A268 PolarHBondContact OD1-N 2.99Å; A268-Y270 PolarHBondContact O-N 3.44Å; A268-G271 PolarHBondContact O-N 3.29Å; A268-R273 HydrophobicContact CB-CB 4.1Å |
| 269 | L | 96.9 | Very high | 95.5 | Very high | 138 Ų | 138 | 58.3 Ų | 58.3 | 72% | 0.723 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34 | 175.7 | -179.6 | 62.5 | 0 | 0 | 0 | 112 | D266 G271 | D266-L269 HydrophobicContact CB-CB 3.8Å; D266-L269 PolarHBondContact O-N 2.96Å; D266-L269 PolarHBondContact OD1-N 3.06Å; L269-G271 VanDerWaalsContact C-N 3.33Å |
| 270 | Y | 96.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 4.8 | 179.3 | -77.5 | -117.5 | 0 | 0 | 0 | 113.6 | F265 D266 A268 I272 P290 I293 T294 | F265-Y270 HydrophobicContact CB-CD2 4.41Å; F265-Y270 HydrophobicContact CB-CE2 3.87Å; F265-Y270 AromaticContact CD2-CD1 3.74Å; F265-Y270 HydrophobicContact CD2-CD1 3.74Å; F265-Y270 AromaticContact CD2-CD2 3.67Å; F265-Y270 HydrophobicContact CD2-CD2 3.67Å; F265-Y270 AromaticContact CD2-CE1 3.99Å; F265-Y270 HydrophobicContact CD2-CE1 3.99Å; F265-Y270 AromaticContact CD2-CE2 3.91Å; F265-Y270 HydrophobicContact CD2-CE2 3.91Å; F265-Y270 AromaticContact CD2-CG 3.56Å; F265-Y270 HydrophobicContact CD2-CG 3.56Å; F265-Y270 HydrophobicContact CE2-CD1 4.06Å; F265-Y270 HydrophobicContact CE2-CD2 4.49Å; F265-Y270 AromaticContact CE2-CG 3.97Å; F265-Y270 HydrophobicContact CE2-CG 3.97Å; F265-Y270 HydrophobicContact CG-CE2 4.4Å; D266-Y270 WeakPolarHBondContact O-CD2 3.4Å; D266-Y270 PolarHBondContact O-N 2.86Å; D266-Y270 VanDerWaalsContact O-N 3.07Å; A268-Y270 PolarHBondContact O-N 3.44Å; Y270-I272 VanDerWaalsContact C-N 3.32Å; Y270-I272 PolarHBondContact O-N 3.42Å; Y270-P290 HydrophobicContact CE1-CB 3.95Å; Y270-I293 HydrophobicContact CD1-CB 3.96Å; Y270-I293 HydrophobicContact CD1-CD1 4Å; Y270-I293 HydrophobicContact CD1-CG2 3.73Å; Y270-I293 HydrophobicContact CE1-CB 4.19Å; Y270-I293 HydrophobicContact CE1-CG2 4.17Å; Y270-T294 HydrophobicContact CE1-CG2 3.79Å; Y270-T294 WeakPolarHBondContact OH-CG2 3.41Å |
| 271 | G | 95.8 | Very high | 95.3 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 22.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H267 A268 L269 | H267-G271 PolarHBondContact O-N 2.75Å; A268-G271 PolarHBondContact O-N 3.29Å; L269-G271 VanDerWaalsContact C-N 3.33Å |
| 272 | I | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -124.6 | 5 | -177 | 60.2 | 164.9 | 0 | 0 | 0 | 113.8 | F194 G219 G220 T222 F265 H267 Y270 P274 L289 V300 | F194-I272 HydrophobicContact CE2-CB 4.38Å; F194-I272 HydrophobicContact CE2-CG2 3.9Å; F194-I272 HydrophobicContact CZ-CB 3.91Å; F194-I272 HydrophobicContact CZ-CD1 4.08Å; F194-I272 HydrophobicContact CZ-CG2 3.89Å; G219-I272 CarbonylContact C-O 3.47Å; G219-I272 VanDerWaalsContact CA-O 3.31Å; G219-I272 WeakPolarHBondContact CA-O 3.38Å; G220-I272 PolarHBondContact N-O 2.93Å; T222-I272 HydrophobicContact CG2-CD1 3.96Å; F265-I272 HydrophobicContact CE2-CD1 3.73Å; F265-I272 HydrophobicContact CE2-CG1 4.49Å; F265-I272 HydrophobicContact CZ-CD1 3.92Å; H267-I272 HydrophobicContact CB-CG1 4.14Å; H267-I272 CarbonylContact O-C 3.47Å; H267-I272 PolarHBondContact O-N 3.43Å; Y270-I272 VanDerWaalsContact C-N 3.32Å; Y270-I272 PolarHBondContact O-N 3.42Å; I272-P274 WeakPolarHBondContact O-CD 3.35Å; I272-L289 HydrophobicContact CD1-CD2 3.99Å; I272-V300 HydrophobicContact CG2-CB 4.45Å; I272-V300 HydrophobicContact CG2-CG1 3.8Å; I272-V300 HydrophobicContact CG2-CG2 3.94Å | ||
| 273 | R | 97.2 | Very high | 94.7 | Very high | 147 Ų | 147 | 52.2 Ų | 52.2 | 56% | 0.555 | 28% | 0.279 | S | S | * | . | trans | -65.5 | 123.5 | 178.5 | 178.2 | 172.7 | 179.3 | 175.7 | 0.8 | 110.5 | W221 H267 A268 | W221-R273 HydrophobicContact CH2-CG 4.3Å; H267-R273 HydrophobicContact CB-CB 4.05Å; H267-R273 PolarHBondContact O-N 3.32Å; A268-R273 HydrophobicContact CB-CB 4.1Å | ||
| 274 | P | 96.2 | Very high | 94.7 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | trans | -82.6 | 167.3 | 173.7 | 35.4 | -36.3 | 0 | 0 | 0 | 112.4 | R218 W221 I272 Y276 | R218-P274 WeakPolarHBondContact O-CA 3.36Å; R218-P274 WeakPolarHBondContact O-CB 3.37Å; W221-P274 HydrophobicContact CD2-CG 4.27Å; W221-P274 HydrophobicContact CG-CG 4.13Å; W221-P274 HydrophobicContact CZ2-CG 4.48Å; W221-P274 VanDerWaalsContact NE1-CG 3.34Å; I272-P274 WeakPolarHBondContact O-CD 3.35Å; P274-Y276 VanDerWaalsContact C-N 3.33Å; P274-Y276 HydrophobicContact CB-CD1 3.57Å; P274-Y276 HydrophobicContact CB-CD2 4.18Å; P274-Y276 HydrophobicContact CB-CE1 3.22Å; P274-Y276 HydrophobicContact CB-CE2 3.87Å; P274-Y276 HydrophobicContact CB-CG 4.05Å; P274-Y276 HydrophobicContact CG-CD1 4.36Å; P274-Y276 HydrophobicContact CG-CD2 4.1Å; P274-Y276 HydrophobicContact CG-CE1 4.05Å; P274-Y276 HydrophobicContact CG-CE2 3.74Å; P274-Y276 HydrophobicContact CG-CG 4.39Å | ||
| 275 | E | 94.8 | Very high | 94.8 | Very high | 210 Ų | 210 | 45 Ų | 45 | 98% | 0.981 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -77 | -17.6 | 172.5 | -64.1 | 179.8 | 171.5 | 0 | 0 | 113.7 | ||
| 276 | Y | 93.8 | Very high | 94.9 | Very high | 38 Ų | 38 | 44.9 Ų | 44.9 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -96.2 | 153.4 | -178 | 59 | -97.6 | 0 | 0 | 0 | 112 | R218 G219 G220 W221 P274 Q280 A281 V423 | R218-Y276 HydrophobicContact CG-CE1 4.4Å; G219-Y276 PolarHBondContact O-OH 3.44Å; G220-Y276 VanDerWaalsContact CA-OH 3.25Å; G220-Y276 WeakPolarHBondContact CA-OH 3.47Å; W221-Y276 AromaticContact CD1-CE2 3.97Å; W221-Y276 PolarHBondContact NE1-O 3.43Å; P274-Y276 VanDerWaalsContact C-N 3.33Å; P274-Y276 HydrophobicContact CB-CD1 3.57Å; P274-Y276 HydrophobicContact CB-CD2 4.18Å; P274-Y276 HydrophobicContact CB-CE1 3.22Å; P274-Y276 HydrophobicContact CB-CE2 3.87Å; P274-Y276 HydrophobicContact CB-CG 4.05Å; P274-Y276 HydrophobicContact CG-CD1 4.36Å; P274-Y276 HydrophobicContact CG-CD2 4.1Å; P274-Y276 HydrophobicContact CG-CE1 4.05Å; P274-Y276 HydrophobicContact CG-CE2 3.74Å; P274-Y276 HydrophobicContact CG-CG 4.39Å; Y276-Q280 HydrophobicContact CD2-CB 4.29Å; Y276-A281 HydrophobicContact CD2-CB 3.92Å; Y276-A281 HydrophobicContact CE2-CB 3.27Å; Y276-V423 HydrophobicContact CD1-CG2 3.31Å; Y276-V423 HydrophobicContact CD2-CG2 4.2Å; Y276-V423 HydrophobicContact CE1-CG2 3.82Å; Y276-V423 HydrophobicContact CG-CG2 3.53Å |
| 277 | G | 94.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 44 Ų | 44 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | trans | -72.6 | 160.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E258 F279 Q280 | E258-G277 WeakPolarHBondContact OE1-CA 3.48Å; G277-F279 PolarHBondContact O-N 3.05Å; G277-Q280 WeakPolarHBondContact O-CB 3.23Å; G277-Q280 PolarHBondContact O-N 3.03Å | ||
| 278 | V | 94.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -58.3 | -28 | -168.8 | 70.1 | 0 | 0 | 0 | 0 | 115.8 | W221 F223 S254 V257 E258 L261 | W221-V278 HydrophobicContact CB-CG2 3.88Å; W221-V278 VanDerWaalsContact CD1-CA 3.41Å; W221-V278 HydrophobicContact CD2-CB 4.49Å; W221-V278 HydrophobicContact CG-CB 4.07Å; W221-V278 HydrophobicContact CG-CG2 3.95Å; F223-V278 HydrophobicContact CE2-CG2 3.61Å; F223-V278 HydrophobicContact CZ-CG2 3.41Å; F223-V278 VanDerWaalsContact CZ-CG2 3.41Å; S254-V278 PolarHBondContact OG-N 2.93Å; V257-V278 HydrophobicContact CB-CG1 3.97Å; V257-V278 HydrophobicContact CG1-CG1 4.01Å; V257-V278 HydrophobicContact CG1-CG2 3.91Å; E258-V278 HydrophobicContact CG-CB 3.84Å; E258-V278 HydrophobicContact CG-CG1 4.02Å; E258-V278 PolarHBondContact OE1-N 3.3Å; E258-V278 VanDerWaalsContact OE1-N 3.11Å; L261-V278 HydrophobicContact CD1-CG2 3.84Å |
| 279 | F | 92.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.088 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -95.5 | 9.2 | 179.6 | -58.3 | -58.2 | 0 | 0 | 0 | 114.6 | M246 A253 V257 G277 W377 R421 | M246-F279 HydrophobicContact CG-CE2 4.2Å; M246-F279 HydrophobicContact CG-CZ 4.28Å; M246-F279 HydrophobicContact SD-CD1 4.32Å; M246-F279 HydrophobicContact SD-CD2 4.48Å; M246-F279 HydrophobicContact SD-CE1 3.76Å; M246-F279 HydrophobicContact SD-CE2 3.93Å; M246-F279 HydrophobicContact SD-CZ 3.53Å; M246-F279 VanDerWaalsContact SD-CZ 3.53Å; A253-F279 HydrophobicContact CB-CE2 3.99Å; V257-F279 HydrophobicContact CB-CZ 4.21Å; V257-F279 HydrophobicContact CG2-CE2 4.36Å; V257-F279 HydrophobicContact CG2-CZ 3.68Å; G277-F279 PolarHBondContact O-N 3.05Å; F279-W377 AromaticContact CE1-CZ2 3.94Å; F279-W377 HydrophobicContact CE1-CZ2 3.94Å; F279-R421 PolarHBondContact O-NE 3.36Å |
| 280 | Q | 92.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 38% | 0.383 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -101 | 4.3 | 179.5 | -59.8 | -172.5 | -80 | 0 | 0 | 113.1 | Y276 G277 R421 Y422 V423 | Y276-Q280 HydrophobicContact CD2-CB 4.29Å; G277-Q280 WeakPolarHBondContact O-CB 3.23Å; G277-Q280 PolarHBondContact O-N 3.03Å; Q280-R421 WeakPolarHBondContact CA-O 3.34Å; Q280-R421 WeakPolarHBondContact CB-O 3.46Å; Q280-R421 WeakPolarHBondContact CG-O 3.48Å; Q280-Y422 CarbonylContact O-C 3.51Å; Q280-Y422 WeakPolarHBondContact O-CA 3.29Å; Q280-V423 PolarHBondContact O-N 2.99Å |
| 281 | A | 92.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -143 | 164 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y276 | Y276-A281 HydrophobicContact CD2-CB 3.92Å; Y276-A281 HydrophobicContact CE2-CB 3.27Å |
| 282 | H | 90.1 | Very high | 94.9 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 13% | 0.125 | 19% | 0.186 | C | C | . | . | trans | -68.7 | 137.1 | 174.3 | -172 | 76.2 | 0 | 0 | 0 | 110.8 | T284 Q375 P376 Q431 | H282-T284 PolarHBondContact O-N 3.39Å; H282-Q375 WeakPolarHBondContact CE1-CG 3.39Å; H282-Q375 VanDerWaalsContact CG-OE1 3.25Å; H282-Q375 VanDerWaalsContact ND1-CG 3.29Å; H282-Q375 WeakPolarHBondContact ND1-CG 3.5Å; H282-P376 PolarHBondContact CE1-O 3.23Å; H282-Q431 PolarHBondContact ND1-OE1 3.07Å | ||
| 283 | P | 89.1 | Confident | 94.9 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | trans | -54.8 | 138.5 | 177.9 | -28 | 36.5 | 0 | 0 | 0 | 112.2 | F223 L285 W377 | F223-P283 HydrophobicContact CD2-CB 3.98Å; F223-P283 HydrophobicContact CE2-CB 4.12Å; F223-P283 HydrophobicContact CE2-CG 4.49Å; P283-L285 HydrophobicContact CB-CD1 4.11Å; P283-W377 VanDerWaalsContact CD-CD1 3.48Å; P283-W377 HydrophobicContact CG-CG 4.26Å | ||
| 284 | T | 94.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.5 | 170.9 | -63.7 | 0 | 0 | 0 | 0 | 107.3 | F194 N196 M199 T222 F223 H282 R427 | F194-T284 HydrophobicContact CD1-CG2 4.48Å; F194-T284 PolarHBondContact O-OG1 2.59Å; N196-T284 WeakPolarHBondContact OD1-CA 3.4Å; M199-T284 HydrophobicContact CE-CG2 4.48Å; M199-T284 HydrophobicContact CG-CG2 3.29Å; M199-T284 HydrophobicContact SD-CG2 3.95Å; T222-T284 CarbonylContact C-O 3.32Å; T222-T284 VanDerWaalsContact CA-O 3.24Å; T222-T284 WeakPolarHBondContact CA-O 3.4Å; F223-T284 PolarHBondContact N-O 3.39Å; H282-T284 PolarHBondContact O-N 3.39Å; T284-R427 PolarHBondContact OG1-NH2 2.98Å |
| 285 | L | 95.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.5 | -175.2 | -71.9 | 85.6 | 0 | 0 | 0 | 110.7 | N62 N196 M199 F223 R225 Y233 P283 | N62-L285 HydrophobicContact CB-CD1 3.99Å; N62-L285 HydrophobicContact CB-CD2 3.64Å; N62-L285 HydrophobicContact CB-CG 4.25Å; N62-L285 VanDerWaalsContact O-CD2 3.31Å; N62-L285 WeakPolarHBondContact O-CD2 3.36Å; N196-L285 PolarHBondContact OD1-N 2.93Å; M199-L285 WeakPolarHBondContact CB-O 3.34Å; F223-L285 HydrophobicContact CB-CG 4.16Å; F223-L285 CarbonylContact O-C 3.59Å; F223-L285 WeakPolarHBondContact O-CA 3.44Å; R225-L285 HydrophobicContact CG-CD2 3.97Å; Y233-L285 HydrophobicContact CD1-CD2 4.37Å; Y233-L285 HydrophobicContact CE1-CD2 3.62Å; P283-L285 HydrophobicContact CB-CD1 4.11Å |
| 286 | S | 96.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | trans | -159.2 | 121.6 | 168.2 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | F223 R264 L289 | F223-S286 PolarHBondContact O-N 3.41Å; R264-S286 PolarHBondContact NH1-O 3.46Å; R264-S286 PolarHBondContact NH2-O 2.93Å; S286-L289 WeakPolarHBondContact OG-CB 3.42Å; S286-L289 PolarHBondContact OG-N 2.92Å | ||
| 287 | D | 95.9 | Very high | 95 | Very high | 51 Ų | 51 | 32 Ų | 32 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -81.2 | -28.3 | 172.2 | -63 | -49.1 | 0 | 0 | 0 | 112.4 | G224 R225 R264 | G224-D287 VanDerWaalsContact CA-OD1 3.31Å; G224-D287 WeakPolarHBondContact CA-OD1 3.38Å; R225-D287 IonicContact CZ-OD2 2.76Å; R225-D287 PolarHBondContact N-OD1 3.35Å; R225-D287 IonicContact NE-OD2 3.8Å; R225-D287 PolarHBondContact NE-OD2 2.92Å; R225-D287 IonicContact NH2-OD2 3.82Å; R225-D287 PolarHBondContact NH2-OD2 3.48Å; R264-D287 PolarHBondContact NH2-O 2.94Å |
| 288 | D | 96.5 | Very high | 95.2 | Very high | 57 Ų | 57 | 31.3 Ų | 31.3 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -97.7 | -21.8 | -169.6 | -77.9 | -10.3 | 0 | 0 | 0 | 113.7 | T203 R207 P290 S291 R292 | T203-D288 HydrophobicContact CG2-CB 4.13Å; R207-D288 IonicContact CZ-OD2 2.59Å; R207-D288 IonicContact NE-OD2 2.81Å; R207-D288 IonicContact NH2-OD1 3.99Å; R207-D288 IonicContact NH2-OD2 3.58Å; R207-D288 PolarHBondContact NH2-OD2 2.89Å; D288-P290 VanDerWaalsContact C-CD 3.47Å; D288-S291 WeakPolarHBondContact O-CB 3.46Å; D288-S291 PolarHBondContact O-N 2.82Å; D288-R292 HydrophobicContact CB-CG 4.34Å; D288-R292 WeakPolarHBondContact O-CG 3.5Å; D288-R292 PolarHBondContact O-N 3.27Å; D288-R292 VanDerWaalsContact O-N 3.07Å |
| 289 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -46.2 | -50.9 | -172.8 | -178.4 | 75.6 | 0 | 0 | 0 | 113.8 | M199 T203 L214 T222 I272 S286 S291 R292 I293 L298 | M199-L289 HydrophobicContact SD-CD1 4.07Å; M199-L289 HydrophobicContact SD-CD2 3.86Å; M199-L289 HydrophobicContact SD-CG 4.41Å; T203-L289 HydrophobicContact CG2-CB 4.23Å; T203-L289 HydrophobicContact CG2-CD1 4.37Å; L214-L289 HydrophobicContact CD2-CD1 4.2Å; T222-L289 HydrophobicContact CG2-CD2 3.78Å; I272-L289 HydrophobicContact CD1-CD2 3.99Å; S286-L289 WeakPolarHBondContact OG-CB 3.42Å; S286-L289 PolarHBondContact OG-N 2.92Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 3.16Å; L289-R292 PolarHBondContact O-N 3.5Å; L289-I293 HydrophobicContact CD1-CD1 3.99Å; L289-I293 HydrophobicContact CD1-CG1 4.42Å; L289-I293 HydrophobicContact CD2-CD1 4.43Å; L289-I293 HydrophobicContact CG-CD1 3.86Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.29Å; L289-L298 HydrophobicContact CD1-CD2 3.44Å; L289-L298 VanDerWaalsContact CD1-CD2 3.44Å |
| 290 | P | 96.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 33.9 Ų | 33.9 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | -177 | -22.6 | 36.1 | 0 | 0 | 0 | 111.8 | F265 Y270 D288 R292 I293 T294 | F265-P290 HydrophobicContact CB-CB 4.21Å; F265-P290 HydrophobicContact CB-CG 4.42Å; F265-P290 HydrophobicContact CD1-CB 3.98Å; F265-P290 HydrophobicContact CD1-CG 3.26Å; F265-P290 HydrophobicContact CD2-CB 4.23Å; F265-P290 HydrophobicContact CD2-CG 4.11Å; F265-P290 HydrophobicContact CE1-CB 4.38Å; F265-P290 HydrophobicContact CE1-CG 3.31Å; F265-P290 HydrophobicContact CE2-CG 4.12Å; F265-P290 HydrophobicContact CG-CB 3.87Å; F265-P290 HydrophobicContact CG-CG 3.66Å; F265-P290 HydrophobicContact CZ-CG 3.72Å; Y270-P290 HydrophobicContact CE1-CB 3.95Å; D288-P290 VanDerWaalsContact C-CD 3.47Å; P290-R292 VanDerWaalsContact C-N 3.31Å; P290-R292 PolarHBondContact O-N 3.25Å; P290-I293 PolarHBondContact O-N 2.93Å; P290-T294 WeakPolarHBondContact O-CG2 3.35Å; P290-T294 PolarHBondContact O-N 3.47Å; P290-T294 PolarHBondContact O-OG1 2.89Å; P290-T294 VanDerWaalsContact O-OG1 3.07Å |
| 291 | S | 97 | Very high | 96 | Very high | 52 Ų | 52 | 31 Ų | 31 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | D288 L289 T294 S295 | D288-S291 WeakPolarHBondContact O-CB 3.46Å; D288-S291 PolarHBondContact O-N 2.82Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 3.16Å; S291-T294 WeakPolarHBondContact CA-OG1 3.27Å; S291-T294 PolarHBondContact O-OG1 2.92Å; S291-S295 PolarHBondContact O-N 2.67Å; S291-S295 VanDerWaalsContact O-N 3.15Å; S291-S295 PolarHBondContact O-OG 3.29Å |
| 292 | R | 97.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 33 Ų | 33 | 18% | 0.181 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -35.8 | -179.9 | -57.8 | -52.3 | 92.9 | 180 | 2.2 | 112.6 | T203 S206 D288 L289 P290 S295 A297 L298 | T203-R292 HydrophobicContact CG2-CG 4.09Å; S206-R292 WeakPolarHBondContact OG-CD 3.47Å; S206-R292 VanDerWaalsContact OG-CG 3.22Å; S206-R292 WeakPolarHBondContact OG-CG 3.44Å; D288-R292 HydrophobicContact CB-CG 4.34Å; D288-R292 WeakPolarHBondContact O-CG 3.5Å; D288-R292 PolarHBondContact O-N 3.27Å; D288-R292 VanDerWaalsContact O-N 3.07Å; L289-R292 PolarHBondContact O-N 3.5Å; P290-R292 VanDerWaalsContact C-N 3.31Å; P290-R292 PolarHBondContact O-N 3.25Å; R292-S295 PolarHBondContact O-OG 3.07Å; R292-A297 PolarHBondContact O-N 3.47Å; R292-L298 HydrophobicContact CB-CB 3.87Å; R292-L298 HydrophobicContact CB-CD2 4.5Å; R292-L298 PolarHBondContact O-N 2.77Å |
| 293 | I | 97.8 | Very high | 96.6 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 17% | 0.169 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.3 | -47.5 | 174.8 | -66.2 | 170.4 | 0 | 0 | 0 | 110.5 | Y270 L289 P290 S295 A296 L298 V300 | Y270-I293 HydrophobicContact CD1-CB 3.96Å; Y270-I293 HydrophobicContact CD1-CD1 4Å; Y270-I293 HydrophobicContact CD1-CG2 3.73Å; Y270-I293 HydrophobicContact CE1-CB 4.19Å; Y270-I293 HydrophobicContact CE1-CG2 4.17Å; L289-I293 HydrophobicContact CD1-CD1 3.99Å; L289-I293 HydrophobicContact CD1-CG1 4.42Å; L289-I293 HydrophobicContact CD2-CD1 4.43Å; L289-I293 HydrophobicContact CG-CD1 3.86Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.29Å; P290-I293 PolarHBondContact O-N 2.93Å; I293-S295 VanDerWaalsContact C-N 3.26Å; I293-S295 PolarHBondContact O-N 3.48Å; I293-A296 WeakPolarHBondContact O-CA 3.41Å; I293-A296 PolarHBondContact O-N 3.29Å; I293-L298 WeakPolarHBondContact CA-O 3.48Å; I293-L298 HydrophobicContact CG1-CB 4.49Å; I293-L298 HydrophobicContact CG1-CD2 4.29Å; I293-V300 HydrophobicContact CD1-CG2 3.66Å; I293-V300 HydrophobicContact CG1-CG2 4.18Å |
| 294 | T | 96.2 | Very high | 97 | Very high | 93 Ų | 93 | 34.6 Ų | 34.6 | 57% | 0.571 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.2 | -30.7 | -178.5 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | Y270 P290 S291 A296 | Y270-T294 HydrophobicContact CE1-CG2 3.79Å; Y270-T294 WeakPolarHBondContact OH-CG2 3.41Å; P290-T294 WeakPolarHBondContact O-CG2 3.35Å; P290-T294 PolarHBondContact O-N 3.47Å; P290-T294 PolarHBondContact O-OG1 2.89Å; P290-T294 VanDerWaalsContact O-OG1 3.07Å; S291-T294 WeakPolarHBondContact CA-OG1 3.27Å; S291-T294 PolarHBondContact O-OG1 2.92Å; T294-A296 PolarHBondContact O-N 3.12Å |
| 295 | S | 95.7 | Very high | 97.2 | Very high | 69 Ų | 69 | 37.4 Ų | 37.4 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 6 | 175.2 | 72.3 | 0 | 0 | 0 | 0 | 113 | S291 R292 I293 A297 | S291-S295 PolarHBondContact O-N 2.67Å; S291-S295 VanDerWaalsContact O-N 3.15Å; S291-S295 PolarHBondContact O-OG 3.29Å; R292-S295 PolarHBondContact O-OG 3.07Å; I293-S295 VanDerWaalsContact C-N 3.26Å; I293-S295 PolarHBondContact O-N 3.48Å; S295-A297 PolarHBondContact O-N 2.99Å; S295-A297 WeakPolarHBondContact OG-CB 3.44Å |
| 296 | A | 96.2 | Very high | 97.3 | Very high | 53 Ų | 53 | 38 Ų | 38 | 44% | 0.438 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 18 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K211 I293 T294 L298 | K211-A296 PolarHBondContact NZ-O 2.99Å; I293-A296 WeakPolarHBondContact O-CA 3.41Å; I293-A296 PolarHBondContact O-N 3.29Å; T294-A296 PolarHBondContact O-N 3.12Å; A296-L298 VanDerWaalsContact C-N 3.29Å |
| 297 | A | 96.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 38.1 Ų | 38.1 | 21% | 0.207 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -73.7 | -28.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | V212 R292 S295 | V212-A297 PolarHBondContact N-O 3.08Å; R292-A297 PolarHBondContact O-N 3.47Å; S295-A297 PolarHBondContact O-N 2.99Å; S295-A297 WeakPolarHBondContact OG-CB 3.44Å |
| 298 | L | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129 | 172.9 | -174.8 | 68.6 | 0 | 0 | 0 | 109.9 | A202 V212 L214 L289 R292 I293 A296 | A202-L298 HydrophobicContact CB-CD1 3.88Å; A202-L298 HydrophobicContact CB-CD2 4.2Å; V212-L298 HydrophobicContact CB-CD1 3.66Å; V212-L298 HydrophobicContact CG1-CD1 3.37Å; V212-L298 WeakPolarHBondContact O-CA 3.4Å; L214-L298 HydrophobicContact CB-CD1 4Å; L214-L298 HydrophobicContact CB-CD2 4.43Å; L214-L298 HydrophobicContact CB-CG 4.31Å; L214-L298 HydrophobicContact CD2-CD2 4.26Å; L289-L298 HydrophobicContact CD1-CD2 3.44Å; L289-L298 VanDerWaalsContact CD1-CD2 3.44Å; R292-L298 HydrophobicContact CB-CB 3.87Å; R292-L298 HydrophobicContact CB-CD2 4.5Å; R292-L298 PolarHBondContact O-N 2.77Å; I293-L298 WeakPolarHBondContact CA-O 3.48Å; I293-L298 HydrophobicContact CG1-CB 4.49Å; I293-L298 HydrophobicContact CG1-CD2 4.29Å; A296-L298 VanDerWaalsContact C-N 3.29Å |
| 299 | V | 98.2 | Very high | 97.5 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.9 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | K211 V212 F213 L214 K301 | K211-V299 VanDerWaalsContact CE-CG2 3.44Å; V212-V299 PolarHBondContact O-N 2.69Å; F213-V299 CarbonylContact C-O 3.51Å; F213-V299 VanDerWaalsContact CA-O 3.3Å; F213-V299 WeakPolarHBondContact CA-O 3.29Å; F213-V299 HydrophobicContact CD1-CB 3.87Å; F213-V299 HydrophobicContact CD1-CG1 4.22Å; F213-V299 HydrophobicContact CE1-CB 4.15Å; F213-V299 HydrophobicContact CE1-CG1 4.43Å; F213-V299 HydrophobicContact CE1-CG2 4.49Å; L214-V299 PolarHBondContact N-O 3.04Å; V299-K301 HydrophobicContact CG1-CD 4.01Å |
| 300 | V | 98.2 | Very high | 97.5 | Very high | 33 Ų | 33 | 47 Ų | 47 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.6 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | L214 T216 I272 I293 | L214-V300 CarbonylContact O-C 3.56Å; L214-V300 WeakPolarHBondContact O-CA 3.43Å; T216-V300 HydrophobicContact CG2-CG1 4.13Å; I272-V300 HydrophobicContact CG2-CB 4.45Å; I272-V300 HydrophobicContact CG2-CG1 3.8Å; I272-V300 HydrophobicContact CG2-CG2 3.94Å; I293-V300 HydrophobicContact CD1-CG2 3.66Å; I293-V300 HydrophobicContact CG1-CG2 4.18Å |
| 301 | K | 98.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 10% | 0.1 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 157.9 | 177.1 | -55.3 | -70.9 | -77 | -162.5 | 0 | 109.7 | F213 L214 S215 T216 V299 F314 S318 E320 | F213-K301 HydrophobicContact CB-CG 4.32Å; F213-K301 HydrophobicContact CD1-CD 4.3Å; F213-K301 HydrophobicContact CD1-CG 4.11Å; L214-K301 PolarHBondContact O-N 3.38Å; S215-K301 WeakPolarHBondContact CA-O 3.33Å; T216-K301 PolarHBondContact N-O 2.83Å; T216-K301 VanDerWaalsContact N-O 3.12Å; V299-K301 HydrophobicContact CG1-CD 4.01Å; K301-F314 HydrophobicContact CB-CD1 3.67Å; K301-F314 HydrophobicContact CB-CD2 4.35Å; K301-F314 HydrophobicContact CB-CE1 3.42Å; K301-F314 VanDerWaalsContact CB-CE1 3.42Å; K301-F314 HydrophobicContact CB-CE2 4.16Å; K301-F314 HydrophobicContact CB-CG 4.12Å; K301-F314 HydrophobicContact CB-CZ 3.68Å; K301-F314 HydrophobicContact CD-CD2 4.46Å; K301-F314 HydrophobicContact CD-CE2 4.18Å; K301-F314 HydrophobicContact CD-CZ 4.39Å; K301-F314 HydrophobicContact CG-CD2 4.49Å; K301-F314 HydrophobicContact CG-CE1 4Å; K301-F314 HydrophobicContact CG-CE2 3.99Å; K301-F314 HydrophobicContact CG-CZ 3.69Å; K301-S318 WeakPolarHBondContact CE-OG 3.48Å; K301-S318 PolarHBondContact NZ-OG 2.94Å; K301-S318 VanDerWaalsContact NZ-OG 3.1Å; K301-E320 IonicContact NZ-OE1 3.67Å; K301-E320 PolarHBondContact NZ-OE1 3.09Å |
| 302 | T | 97.9 | Very high | 97.6 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | trans | -70.1 | -170.1 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | S215 T216 F314 T315 D316 | S215-T302 PolarHBondContact OG-O 2.84Å; T216-T302 CarbonylContact O-C 3.56Å; T302-F314 WeakPolarHBondContact O-CD1 3.4Å; T302-T315 WeakPolarHBondContact CB-OG1 3.4Å; T302-T315 PolarHBondContact OG1-OG1 3.31Å; T302-D316 HydrophobicContact CG2-CB 4.19Å; T302-D316 WeakPolarHBondContact CG2-OD2 3.49Å; T302-D316 PolarHBondContact OG1-N 3.45Å; T302-D316 PolarHBondContact OG1-OD2 3.06Å | ||
| 303 | D | 97.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | trans | -63.4 | 160.1 | 175.6 | -157.2 | 1.8 | 0 | 0 | 0 | 111.2 | T216 R217 F314 T315 | T216-D303 PolarHBondContact O-N 2.94Å; R217-D303 HydrophobicContact CB-CB 4.35Å; R217-D303 WeakPolarHBondContact CD-OD2 3.37Å; R217-D303 HydrophobicContact CG-CB 4.1Å; R217-D303 WeakPolarHBondContact CG-OD1 3.43Å; R217-D303 VanDerWaalsContact CG-OD2 3.24Å; R217-D303 WeakPolarHBondContact CG-OD2 2.91Å; D303-F314 CarbonylContact O-C 3.59Å; D303-F314 VanDerWaalsContact O-CA 3.31Å; D303-F314 WeakPolarHBondContact O-CA 3.31Å; D303-T315 HydrophobicContact CB-CG2 3.82Å; D303-T315 PolarHBondContact N-OG1 2.65Å; D303-T315 PolarHBondContact O-N 2.87Å; D303-T315 PolarHBondContact O-OG1 3.11Å | ||
| 304 | I | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.9 | 179.3 | -63.9 | 164.6 | 0 | 0 | 0 | 108.9 | L161 L190 V192 F307 V312 F314 | L161-I304 HydrophobicContact CD1-CD1 4.22Å; L190-I304 HydrophobicContact CD2-CD1 3.99Å; V192-I304 HydrophobicContact CB-CD1 4.38Å; V192-I304 HydrophobicContact CG1-CD1 3.86Å; V192-I304 HydrophobicContact CG2-CD1 3.57Å; I304-F307 HydrophobicContact CD1-CE2 4.01Å; I304-F307 HydrophobicContact CD1-CZ 3.81Å; I304-F307 HydrophobicContact CG2-CD2 4.1Å; I304-F307 HydrophobicContact CG2-CE2 3.77Å; I304-F307 HydrophobicContact CG2-CZ 4.37Å; I304-V312 HydrophobicContact CB-CG2 4.42Å; I304-V312 HydrophobicContact CG1-CG2 4.04Å; I304-V312 HydrophobicContact CG2-CG2 3.73Å; I304-F314 HydrophobicContact CG1-CD1 4.4Å; I304-F314 HydrophobicContact CG1-CE1 4.27Å |
| 305 | S | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -52.5 | 169.6 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | I313 | S305-I313 WeakPolarHBondContact CA-O 3.31Å; S305-I313 WeakPolarHBondContact CB-O 3.42Å; S305-I313 PolarHBondContact N-O 3.14Å |
| 306 | S | 98.1 | Very high | 97.9 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 157.1 | 176.4 | 55 | 0 | 0 | 0 | 0 | 112.5 | K162 I313 | K162-S306 CarbonylContact O-C 3.53Å; K162-S306 WeakPolarHBondContact O-CA 3.32Å; S306-I313 PolarHBondContact N-O 3.13Å; S306-I313 PolarHBondContact O-N 3.29Å |
| 307 | F | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 142.8 | 167.8 | -71.9 | -92.3 | 0 | 0 | 0 | 111.3 | L161 K162 L164 F168 L190 I304 V312 V326 | L161-F307 HydrophobicContact CB-CD2 4.33Å; L161-F307 HydrophobicContact CB-CE2 3.95Å; L161-F307 HydrophobicContact CD1-CE2 4.04Å; K162-F307 PolarHBondContact O-N 3.19Å; L164-F307 HydrophobicContact CB-CD2 3.58Å; L164-F307 HydrophobicContact CB-CE2 3.77Å; L164-F307 HydrophobicContact CB-CG 4.15Å; L164-F307 HydrophobicContact CD1-CD1 4.11Å; L164-F307 HydrophobicContact CD1-CD2 4.19Å; L164-F307 HydrophobicContact CD1-CE1 3.94Å; L164-F307 HydrophobicContact CD1-CE2 3.98Å; L164-F307 HydrophobicContact CD1-CG 4.23Å; L164-F307 HydrophobicContact CD1-CZ 3.85Å; L164-F307 HydrophobicContact CD2-CE2 4.2Å; L164-F307 HydrophobicContact CD2-CZ 4.44Å; L164-F307 HydrophobicContact CG-CD2 4.39Å; L164-F307 HydrophobicContact CG-CE2 4.21Å; F168-F307 HydrophobicContact CB-CB 4.22Å; F168-F307 AromaticContact CD2-CD1 3.93Å; F168-F307 HydrophobicContact CD2-CD1 3.93Å; F168-F307 HydrophobicContact CE2-CD1 4.35Å; F168-F307 HydrophobicContact CG-CD1 4.18Å; L190-F307 HydrophobicContact CD2-CE1 3.85Å; L190-F307 HydrophobicContact CD2-CZ 3.92Å; I304-F307 HydrophobicContact CD1-CE2 4.01Å; I304-F307 HydrophobicContact CD1-CZ 3.81Å; I304-F307 HydrophobicContact CG2-CD2 4.1Å; I304-F307 HydrophobicContact CG2-CE2 3.77Å; I304-F307 HydrophobicContact CG2-CZ 4.37Å; F307-V312 HydrophobicContact CD1-CB 4.05Å; F307-V312 HydrophobicContact CD1-CG2 4.24Å; F307-V312 HydrophobicContact CE1-CB 4.05Å; F307-V312 HydrophobicContact CE1-CG2 4.06Å; F307-V312 HydrophobicContact CZ-CG2 4.31Å; F307-V326 HydrophobicContact CD1-CG2 4.42Å; F307-V326 HydrophobicContact CE1-CG1 4.3Å; F307-V326 HydrophobicContact CE1-CG2 3.52Å; F307-V326 HydrophobicContact CZ-CG1 4.01Å; F307-V326 HydrophobicContact CZ-CG2 4.09Å |
| 308 | T | 97.8 | Very high | 98 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | trans | -94.9 | 178.3 | 163.9 | 74.7 | 0 | 0 | 0 | 0 | 108.8 | K310 G311 I313 | T308-K310 PolarHBondContact O-N 3.04Å; T308-K310 PolarHBondContact OG1-N 3.23Å; T308-G311 PolarHBondContact N-O 3Å; T308-G311 VanDerWaalsContact OG1-CA 3.31Å; T308-G311 WeakPolarHBondContact OG1-CA 3.39Å; T308-G311 PolarHBondContact OG1-N 3.24Å; T308-G311 PolarHBondContact OG1-O 3.39Å; T308-I313 HydrophobicContact CG2-CD1 3.93Å; T308-I313 HydrophobicContact CG2-CG1 3.84Å | ||
| 309 | K | 97.7 | Very high | 98 | Very high | 136 Ų | 136 | 48.5 Ų | 48.5 | 59% | 0.591 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -56.6 | -34.1 | 176.5 | -71 | -173.7 | 171 | -164.9 | 0 | 113.6 | S167 E169 | S167-K309 WeakPolarHBondContact O-CA 3.38Å; E169-K309 VanDerWaalsContact CB-O 3.31Å; E169-K309 WeakPolarHBondContact CB-O 3.47Å; E169-K309 HydrophobicContact CG-CB 4.22Å; E169-K309 WeakPolarHBondContact CG-O 3.39Å; E169-K309 PolarHBondContact N-O 2.93Å |
| 310 | K | 97.1 | Very high | 98 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -129.4 | 13.9 | -174.5 | -64.3 | -171.8 | 177.1 | -176.5 | 0 | 113.4 | E169 T308 D321 N322 I323 | E169-K310 WeakPolarHBondContact OE2-CE 3.36Å; T308-K310 PolarHBondContact O-N 3.04Å; T308-K310 PolarHBondContact OG1-N 3.23Å; K310-D321 CarbonylContact O-C 3.58Å; K310-N322 CarbonylContact O-C 3.47Å; K310-N322 WeakPolarHBondContact O-CA 3.4Å; K310-N322 PolarHBondContact O-N 2.88Å; K310-I323 PolarHBondContact O-N 2.8Å |
| 311 | G | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -166.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T308 E320 | T308-G311 PolarHBondContact N-O 3Å; T308-G311 VanDerWaalsContact OG1-CA 3.31Å; T308-G311 WeakPolarHBondContact OG1-CA 3.39Å; T308-G311 PolarHBondContact OG1-N 3.24Å; T308-G311 PolarHBondContact OG1-O 3.39Å; G311-E320 CarbonylContact C-O 3.52Å; G311-E320 WeakPolarHBondContact CA-O 3.32Å |
| 312 | V | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 141.6 | -175.4 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | L190 I304 F307 F314 E319 E320 I323 | L190-V312 HydrophobicContact CD2-CB 4.27Å; L190-V312 HydrophobicContact CD2-CG1 4.02Å; L190-V312 HydrophobicContact CD2-CG2 4.16Å; I304-V312 HydrophobicContact CB-CG2 4.42Å; I304-V312 HydrophobicContact CG1-CG2 4.04Å; I304-V312 HydrophobicContact CG2-CG2 3.73Å; F307-V312 HydrophobicContact CD1-CB 4.05Å; F307-V312 HydrophobicContact CD1-CG2 4.24Å; F307-V312 HydrophobicContact CE1-CB 4.05Å; F307-V312 HydrophobicContact CE1-CG2 4.06Å; F307-V312 HydrophobicContact CZ-CG2 4.31Å; V312-F314 HydrophobicContact CB-CZ 4.41Å; V312-F314 HydrophobicContact CG1-CD2 4.43Å; V312-F314 HydrophobicContact CG1-CE1 4.21Å; V312-F314 HydrophobicContact CG1-CE2 3.48Å; V312-F314 VanDerWaalsContact CG1-CE2 3.48Å; V312-F314 HydrophobicContact CG1-CZ 3.36Å; V312-F314 HydrophobicContact CG2-CE1 4.24Å; V312-F314 HydrophobicContact CG2-CE2 4.48Å; V312-F314 HydrophobicContact CG2-CZ 4.19Å; V312-E319 WeakPolarHBondContact O-CA 3.28Å; V312-E320 HydrophobicContact CG1-CB 4.1Å; V312-E320 PolarHBondContact N-O 3.41Å; V312-E320 PolarHBondContact O-N 2.8Å; V312-I323 HydrophobicContact CG1-CG1 4.18Å |
| 313 | I | 98.5 | Very high | 98 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.6 | 172.9 | -52.6 | 178.9 | 0 | 0 | 0 | 107.3 | S305 S306 T308 E319 | S305-I313 WeakPolarHBondContact CA-O 3.31Å; S305-I313 WeakPolarHBondContact CB-O 3.42Å; S305-I313 PolarHBondContact N-O 3.14Å; S306-I313 PolarHBondContact N-O 3.13Å; S306-I313 PolarHBondContact O-N 3.29Å; T308-I313 HydrophobicContact CG2-CD1 3.93Å; T308-I313 HydrophobicContact CG2-CG1 3.84Å; I313-E319 HydrophobicContact CB-CG 4.38Å; I313-E319 HydrophobicContact CG1-CG 3.99Å; I313-E319 HydrophobicContact CG2-CG 4.19Å |
| 314 | F | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 164.3 | 179.7 | -61.5 | -82 | 0 | 0 | 0 | 111.6 | L190 K301 T302 D303 I304 V312 D316 G317 S318 E320 | L190-F314 HydrophobicContact CD1-CE1 4.14Å; L190-F314 HydrophobicContact CD1-CZ 4Å; K301-F314 HydrophobicContact CB-CD1 3.67Å; K301-F314 HydrophobicContact CB-CD2 4.35Å; K301-F314 HydrophobicContact CB-CE1 3.42Å; K301-F314 VanDerWaalsContact CB-CE1 3.42Å; K301-F314 HydrophobicContact CB-CE2 4.16Å; K301-F314 HydrophobicContact CB-CG 4.12Å; K301-F314 HydrophobicContact CB-CZ 3.68Å; K301-F314 HydrophobicContact CD-CD2 4.46Å; K301-F314 HydrophobicContact CD-CE2 4.18Å; K301-F314 HydrophobicContact CD-CZ 4.39Å; K301-F314 HydrophobicContact CG-CD2 4.49Å; K301-F314 HydrophobicContact CG-CE1 4Å; K301-F314 HydrophobicContact CG-CE2 3.99Å; K301-F314 HydrophobicContact CG-CZ 3.69Å; T302-F314 WeakPolarHBondContact O-CD1 3.4Å; D303-F314 CarbonylContact O-C 3.59Å; D303-F314 VanDerWaalsContact O-CA 3.31Å; D303-F314 WeakPolarHBondContact O-CA 3.31Å; I304-F314 HydrophobicContact CG1-CD1 4.4Å; I304-F314 HydrophobicContact CG1-CE1 4.27Å; V312-F314 HydrophobicContact CB-CZ 4.41Å; V312-F314 HydrophobicContact CG1-CD2 4.43Å; V312-F314 HydrophobicContact CG1-CE1 4.21Å; V312-F314 HydrophobicContact CG1-CE2 3.48Å; V312-F314 VanDerWaalsContact CG1-CE2 3.48Å; V312-F314 HydrophobicContact CG1-CZ 3.36Å; V312-F314 HydrophobicContact CG2-CE1 4.24Å; V312-F314 HydrophobicContact CG2-CE2 4.48Å; V312-F314 HydrophobicContact CG2-CZ 4.19Å; F314-D316 WeakPolarHBondContact CB-OD1 3.22Å; F314-D316 PolarHBondContact O-N 2.85Å; F314-G317 PolarHBondContact O-N 2.85Å; F314-S318 WeakPolarHBondContact CD2-O 3.21Å; F314-S318 PolarHBondContact N-O 2.94Å; F314-E320 HydrophobicContact CE2-CB 4.14Å; F314-E320 HydrophobicContact CE2-CG 3.71Å; F314-E320 HydrophobicContact CZ-CG 4.42Å |
| 315 | T | 98.1 | Very high | 98 | Very high | 87 Ų | 87 | 52.3 Ų | 52.3 | 53% | 0.534 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.1 | -178.1 | 50 | 0 | 0 | 0 | 0 | 114.7 | T302 D303 | T302-T315 WeakPolarHBondContact CB-OG1 3.4Å; T302-T315 PolarHBondContact OG1-OG1 3.31Å; D303-T315 HydrophobicContact CB-CG2 3.82Å; D303-T315 PolarHBondContact N-OG1 2.65Å; D303-T315 PolarHBondContact O-N 2.87Å; D303-T315 PolarHBondContact O-OG1 3.11Å |
| 316 | D | 97.4 | Very high | 98.1 | Very high | 90 Ų | 90 | 49.2 Ų | 49.2 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.7 | 172.6 | 57.9 | 21.8 | 0 | 0 | 0 | 113.6 | T302 F314 S318 | T302-D316 HydrophobicContact CG2-CB 4.19Å; T302-D316 WeakPolarHBondContact CG2-OD2 3.49Å; T302-D316 PolarHBondContact OG1-N 3.45Å; T302-D316 PolarHBondContact OG1-OD2 3.06Å; F314-D316 WeakPolarHBondContact CB-OD1 3.22Å; F314-D316 PolarHBondContact O-N 2.85Å; D316-S318 VanDerWaalsContact C-N 3.27Å; D316-S318 PolarHBondContact O-N 3.19Å; D316-S318 WeakPolarHBondContact OD1-CB 3.35Å; D316-S318 PolarHBondContact OD1-N 3.24Å; D316-S318 PolarHBondContact OD1-OG 3.32Å |
| 317 | G | 97.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 48.3 Ų | 48.3 | 57% | 0.567 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 81.3 | -1.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F314 | F314-G317 PolarHBondContact O-N 2.85Š|
| 318 | S | 98.1 | Very high | 98.1 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | trans | -71.1 | 152.3 | 170.6 | 71.7 | 0 | 0 | 0 | 0 | 111 | K301 F314 D316 | K301-S318 WeakPolarHBondContact CE-OG 3.48Å; K301-S318 PolarHBondContact NZ-OG 2.94Å; K301-S318 VanDerWaalsContact NZ-OG 3.1Å; F314-S318 WeakPolarHBondContact CD2-O 3.21Å; F314-S318 PolarHBondContact N-O 2.94Å; D316-S318 VanDerWaalsContact C-N 3.27Å; D316-S318 PolarHBondContact O-N 3.19Å; D316-S318 WeakPolarHBondContact OD1-CB 3.35Å; D316-S318 PolarHBondContact OD1-N 3.24Å; D316-S318 PolarHBondContact OD1-OG 3.32Å | ||
| 319 | E | 98.2 | Very high | 98.1 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.6 | -178.4 | -57.2 | -170 | -177.8 | 0 | 0 | 110.2 | V312 I313 | V312-E319 WeakPolarHBondContact O-CA 3.28Å; I313-E319 HydrophobicContact CB-CG 4.38Å; I313-E319 HydrophobicContact CG1-CG 3.99Å; I313-E319 HydrophobicContact CG2-CG 4.19Å |
| 320 | E | 98.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 116.4 | 169.3 | -65.8 | -67.9 | 164 | 0 | 0 | 109.5 | R188 F213 K301 G311 V312 F314 I323 | R188-E320 IonicContact NH2-OE2 2.91Å; R188-E320 PolarHBondContact NH2-OE2 3.08Å; F213-E320 HydrophobicContact CD1-CG 3.92Å; F213-E320 HydrophobicContact CE1-CG 3.66Å; F213-E320 WeakPolarHBondContact CE1-OE1 3.18Å; F213-E320 VanDerWaalsContact CE1-OE2 3.25Å; F213-E320 WeakPolarHBondContact CE1-OE2 3.38Å; F213-E320 HydrophobicContact CE2-CG 4.44Å; F213-E320 HydrophobicContact CG-CG 4.43Å; F213-E320 HydrophobicContact CZ-CB 4.39Å; F213-E320 VanDerWaalsContact CZ-CD 3.45Å; F213-E320 HydrophobicContact CZ-CG 3.94Å; F213-E320 WeakPolarHBondContact CZ-OE2 3.43Å; K301-E320 IonicContact NZ-OE1 3.67Å; K301-E320 PolarHBondContact NZ-OE1 3.09Å; G311-E320 CarbonylContact C-O 3.52Å; G311-E320 WeakPolarHBondContact CA-O 3.32Å; V312-E320 HydrophobicContact CG1-CB 4.1Å; V312-E320 PolarHBondContact N-O 3.41Å; V312-E320 PolarHBondContact O-N 2.8Å; F314-E320 HydrophobicContact CE2-CB 4.14Å; F314-E320 HydrophobicContact CE2-CG 3.71Å; F314-E320 HydrophobicContact CZ-CG 4.42Å; E320-I323 HydrophobicContact CB-CD1 4.05Å; E320-I323 HydrophobicContact CB-CG1 4.46Å |
| 321 | D | 97.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 37.7 Ų | 37.7 | 47% | 0.465 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 168.5 | 176.3 | -69.9 | -44.5 | 0 | 0 | 0 | 112.4 | R188 K310 I323 | R188-D321 VanDerWaalsContact CZ-O 3.29Å; R188-D321 PolarHBondContact NE-O 3.44Å; R188-D321 PolarHBondContact NH2-O 3.39Å; K310-D321 CarbonylContact O-C 3.58Å; D321-I323 VanDerWaalsContact C-N 3.3Å; D321-I323 PolarHBondContact O-N 2.9Å |
| 322 | N | 97.5 | Very high | 97.7 | Very high | 104 Ų | 104 | 39.1 Ų | 39.1 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | trans | 52.1 | 45 | 177.7 | -55.4 | -58.6 | 0 | 0 | 0 | 112.6 | R188 K310 D324 | R188-N322 VanDerWaalsContact CB-O 3.25Å; R188-N322 WeakPolarHBondContact CB-O 3.34Å; R188-N322 WeakPolarHBondContact CD-O 3.5Å; R188-N322 PolarHBondContact NE-O 3.07Å; K310-N322 CarbonylContact O-C 3.47Å; K310-N322 WeakPolarHBondContact O-CA 3.4Å; K310-N322 PolarHBondContact O-N 2.88Å; N322-D324 PolarHBondContact O-N 3.41Å | ||
| 323 | I | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | trans | -77 | 116.9 | 171.5 | -58.3 | -59.4 | 0 | 0 | 0 | 108 | F168 R188 L190 F213 K310 V312 E320 D321 V326 | F168-I323 HydrophobicContact CE2-CB 4.08Å; F168-I323 HydrophobicContact CE2-CG2 4.31Å; F168-I323 WeakPolarHBondContact CE2-O 3.29Å; F168-I323 HydrophobicContact CZ-CB 4.16Å; F168-I323 HydrophobicContact CZ-CG2 3.93Å; F168-I323 VanDerWaalsContact CZ-O 3.22Å; F168-I323 WeakPolarHBondContact CZ-O 3.48Å; R188-I323 HydrophobicContact CB-CD1 4.39Å; L190-I323 HydrophobicContact CB-CG2 3.96Å; F213-I323 HydrophobicContact CD2-CD1 3.73Å; F213-I323 HydrophobicContact CE2-CD1 3.77Å; K310-I323 PolarHBondContact O-N 2.8Å; V312-I323 HydrophobicContact CG1-CG1 4.18Å; E320-I323 HydrophobicContact CB-CD1 4.05Å; E320-I323 HydrophobicContact CB-CG1 4.46Å; D321-I323 VanDerWaalsContact C-N 3.3Å; D321-I323 PolarHBondContact O-N 2.9Å; I323-V326 HydrophobicContact CG2-CG2 4.03Å | ||
| 324 | D | 98.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | trans | -81.3 | -40.3 | 179.7 | -68.2 | -87.4 | 0 | 0 | 0 | 112.2 | Q171 K187 R188 N322 | Q171-D324 PolarHBondContact N-O 3.34Å; K187-D324 WeakPolarHBondContact CA-OD2 3.28Å; K187-D324 HydrophobicContact CB-CB 4.03Å; K187-D324 HydrophobicContact CD-CB 3.71Å; K187-D324 HydrophobicContact CG-CB 4.32Å; K187-D324 IonicContact NZ-OD1 3.15Å; K187-D324 PolarHBondContact NZ-OD1 2.91Å; K187-D324 VanDerWaalsContact NZ-OD1 3.15Å; R188-D324 PolarHBondContact N-OD2 3.38Å; R188-D324 PolarHBondContact O-N 3.46Å; N322-D324 PolarHBondContact O-N 3.41Å | ||
| 325 | V | 98.5 | Very high | 97 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.7 | -173.5 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | Q171 M173 F184 R188 V189 L190 I327 | Q171-V325 HydrophobicContact CB-CG1 4.33Å; Q171-V325 HydrophobicContact CB-CG2 4.38Å; Q171-V325 CarbonylContact O-C 3.47Å; Q171-V325 WeakPolarHBondContact O-CA 3.41Å; M173-V325 HydrophobicContact CE-CG1 4.04Å; F184-V325 HydrophobicContact CD1-CB 4.5Å; F184-V325 HydrophobicContact CD1-CG2 4.34Å; F184-V325 HydrophobicContact CE1-CB 4.11Å; F184-V325 HydrophobicContact CE1-CG1 3.76Å; F184-V325 HydrophobicContact CE1-CG2 4.19Å; R188-V325 PolarHBondContact O-N 3.15Å; V189-V325 CarbonylContact C-O 3.54Å; V189-V325 VanDerWaalsContact CA-O 3.32Å; V189-V325 WeakPolarHBondContact CA-O 3.37Å; V189-V325 HydrophobicContact CG1-CB 4.45Å; V189-V325 HydrophobicContact CG2-CB 4.46Å; L190-V325 PolarHBondContact N-O 2.94Å; V325-I327 HydrophobicContact CG1-CG1 4.2Å |
| 326 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.3 | 171.3 | -179 | 0 | 0 | 0 | 0 | 109.4 | L164 F168 Q171 F172 M173 L190 V192 F307 I323 L328 | L164-V326 HydrophobicContact CD1-CB 4.24Å; L164-V326 HydrophobicContact CD1-CG1 4.28Å; L164-V326 HydrophobicContact CD1-CG2 4.12Å; F168-V326 HydrophobicContact CD1-CG2 4.34Å; F168-V326 HydrophobicContact CE1-CB 4.48Å; F168-V326 HydrophobicContact CE1-CG2 3.59Å; F168-V326 HydrophobicContact CE2-CG2 4.47Å; F168-V326 HydrophobicContact CZ-CG2 3.68Å; Q171-V326 PolarHBondContact O-N 3.18Å; F172-V326 CarbonylContact C-O 3.57Å; F172-V326 VanDerWaalsContact CA-O 3.22Å; F172-V326 WeakPolarHBondContact CA-O 3.48Å; F172-V326 HydrophobicContact CB-CB 3.9Å; M173-V326 PolarHBondContact N-O 2.9Å; L190-V326 HydrophobicContact CB-CG2 4.34Å; L190-V326 HydrophobicContact CD2-CG1 4.39Å; L190-V326 HydrophobicContact CD2-CG2 4.37Å; L190-V326 CarbonylContact O-C 3.53Å; L190-V326 WeakPolarHBondContact O-CA 3.38Å; V192-V326 HydrophobicContact CG2-CG1 3.88Å; F307-V326 HydrophobicContact CD1-CG2 4.42Å; F307-V326 HydrophobicContact CE1-CG1 4.3Å; F307-V326 HydrophobicContact CE1-CG2 3.52Å; F307-V326 HydrophobicContact CZ-CG1 4.01Å; F307-V326 HydrophobicContact CZ-CG2 4.09Å; I323-V326 HydrophobicContact CG2-CG2 4.03Å; V326-L328 HydrophobicContact CG1-CD2 3.98Å |
| 327 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 109.3 | 176.8 | -53.9 | 177.4 | 0 | 0 | 0 | 109.5 | M173 Y178 F184 V189 L190 V191 V192 I201 L205 V325 C329 | M173-I327 HydrophobicContact CG-CG1 4.09Å; M173-I327 HydrophobicContact CG-CG2 4.48Å; M173-I327 CarbonylContact O-C 3.53Å; M173-I327 WeakPolarHBondContact O-CA 3.46Å; M173-I327 HydrophobicContact SD-CG1 4.44Å; Y178-I327 HydrophobicContact CD2-CD1 4.13Å; F184-I327 HydrophobicContact CE1-CD1 3.72Å; F184-I327 HydrophobicContact CE1-CG1 4.36Å; F184-I327 HydrophobicContact CZ-CD1 3.96Å; V189-I327 HydrophobicContact CG1-CD1 3.9Å; V189-I327 HydrophobicContact CG1-CG1 4.09Å; L190-I327 PolarHBondContact O-N 3.37Å; V191-I327 WeakPolarHBondContact CA-O 3.34Å; V192-I327 PolarHBondContact N-O 2.83Å; I201-I327 HydrophobicContact CD1-CG2 3.93Å; I201-I327 HydrophobicContact CG2-CD1 3.66Å; I201-I327 HydrophobicContact CG2-CG2 4.35Å; L205-I327 HydrophobicContact CD1-CD1 3.49Å; L205-I327 VanDerWaalsContact CD1-CD1 3.49Å; V325-I327 HydrophobicContact CG1-CG1 4.2Å; I327-C329 PolarHBondContact O-N 2.82Å |
| 328 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 112.3 | 177.2 | -54.8 | 176.1 | 0 | 0 | 0 | 109.5 | I158 L161 L164 F172 M173 H174 S175 V192 V326 T330 | I158-L328 HydrophobicContact CG2-CD1 3.87Å; L161-L328 HydrophobicContact CD1-CD2 3.89Å; L164-L328 HydrophobicContact CD2-CD1 4.17Å; L164-L328 HydrophobicContact CD2-CD2 4.06Å; F172-L328 HydrophobicContact CD2-CD1 4.29Å; M173-L328 PolarHBondContact O-N 2.78Å; H174-L328 CarbonylContact C-O 3.08Å; H174-L328 WeakPolarHBondContact CA-O 3.39Å; H174-L328 PolarHBondContact CD2-O 2.91Å; H174-L328 PolarHBondContact NE2-O 2.97Å; S175-L328 PolarHBondContact N-O 3.38Å; V192-L328 HydrophobicContact CB-CD2 4Å; V192-L328 HydrophobicContact CG1-CD2 4.46Å; V192-L328 HydrophobicContact CG2-CD2 4.01Å; V326-L328 HydrophobicContact CG1-CD2 3.98Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 HydrophobicContact CB-CG2 4.15Å |
| 329 | C | 97.5 | Very high | 96.5 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 10% | 0.095 | 22% | 0.216 | C | C | . | . | trans | -103.6 | 50 | 171.2 | -61.1 | 0 | 0 | 0 | 0 | 109.4 | V192 A198 I327 | V192-C329 CarbonylContact O-C 3.52Å; V192-C329 WeakPolarHBondContact O-CA 3.48Å; V192-C329 WeakPolarHBondContact O-CB 3.37Å; V192-C329 PolarHBondContact O-N 2.71Å; A198-C329 HydrophobicContact CB-CB 3.65Å; I327-C329 PolarHBondContact O-N 2.82Å | ||
| 330 | T | 95.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | trans | -93.6 | -1.1 | -164.4 | 41 | 0 | 0 | 0 | 0 | 113.5 | Y157 P159 H174 V192 L328 | Y157-T330 WeakPolarHBondContact O-CB 3.4Å; Y157-T330 PolarHBondContact O-OG1 3.19Å; P159-T330 WeakPolarHBondContact CD-OG1 3.46Å; P159-T330 HydrophobicContact CG-CG2 3.78Å; H174-T330 PolarHBondContact CD2-OG1 2.88Å; V192-T330 HydrophobicContact CG1-CG2 4.48Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 HydrophobicContact CB-CG2 4.15Å | ||
| 331 | G | 94.4 | Very high | 95.7 | Very high | 27 Ų | 27 | 41 Ų | 41 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | trans | 101 | -160 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y157 H174 | Y157-G331 PolarHBondContact N-O 3.41Å; H174-G331 PolarHBondContact CE1-O 3.21Å; H174-G331 PolarHBondContact NE2-N 3.43Å; H174-G331 PolarHBondContact NE2-O 3.16Å | ||
| 332 | Y | 94.7 | Very high | 95.3 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.7 | -172.9 | -62.9 | -92.6 | 0 | 0 | 0 | 110 | H152 H153 S155 H174 H176 N349 | H152-Y332 WeakPolarHBondContact O-CB 3.43Å; H153-Y332 VanDerWaalsContact C-CD1 3.48Å; H153-Y332 HydrophobicContact CB-CD1 4.49Å; H153-Y332 HydrophobicContact CB-CD2 4.44Å; H153-Y332 HydrophobicContact CB-CE1 4.41Å; H153-Y332 HydrophobicContact CB-CE2 4.37Å; H153-Y332 AromaticContact ND1-CD2 3.41Å; H153-Y332 WeakPolarHBondContact ND1-CD2 3.49Å; H153-Y332 AromaticContact ND1-CE2 3.7Å; H153-Y332 WeakPolarHBondContact O-CD1 3.36Å; H153-Y332 WeakPolarHBondContact O-CE1 3.31Å; S155-Y332 CarbonylContact O-C 3.47Å; S155-Y332 WeakPolarHBondContact O-CA 3.38Å; S155-Y332 WeakPolarHBondContact O-CB 3.26Å; S155-Y332 WeakPolarHBondContact O-CD1 3.43Å; H174-Y332 AromaticContact CE1-CE1 3.97Å; H174-Y332 AromaticContact CE1-CZ 3.81Å; H176-Y332 HydrophobicContact CB-CE1 3.93Å; H176-Y332 AromaticContact ND1-CE1 3.78Å; Y332-N349 PolarHBondContact O-ND2 2.83Å |
| 333 | E | 94.3 | Very high | 95.1 | Very high | 87 Ų | 87 | 40.2 Ų | 40.2 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 136.4 | 170.3 | -61.5 | -176 | 163.4 | 0 | 0 | 109.7 | S155 Y157 T335 N349 | S155-E333 PolarHBondContact O-N 3.48Å; Y157-E333 HydrophobicContact CD2-CG 4.15Å; E333-T335 HydrophobicContact CB-CG2 4.06Å; E333-T335 PolarHBondContact O-N 3.36Å; E333-N349 WeakPolarHBondContact CA-OD1 3.39Å |
| 334 | I | 94.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | trans | -79.9 | 116.9 | 171.1 | -61.8 | 175.6 | 0 | 0 | 0 | 107 | H152 F336 V346 N349 L373 V430 | H152-I334 HydrophobicContact CB-CG1 3.94Å; I334-F336 HydrophobicContact CG2-CE2 4.09Å; I334-V346 HydrophobicContact CB-CG1 3.96Å; I334-V346 HydrophobicContact CG2-CG1 4.15Å; I334-V346 HydrophobicContact CG2-CG2 4.05Å; I334-V346 WeakPolarHBondContact O-CG1 3.4Å; I334-N349 HydrophobicContact CD1-CB 3.85Å; I334-N349 HydrophobicContact CG1-CB 4.13Å; I334-N349 PolarHBondContact N-OD1 2.9Å; I334-L373 HydrophobicContact CD1-CD1 4.06Å; I334-L373 HydrophobicContact CG1-CD1 4.17Å; I334-L373 HydrophobicContact CG2-CD1 4.05Å; I334-L373 HydrophobicContact CG2-CD2 3.78Å; I334-V430 HydrophobicContact CD1-CG1 4.25Å | ||
| 335 | T | 93.1 | Very high | 94.5 | Very high | 52 Ų | 52 | 42 Ų | 42 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | trans | -137.7 | 151.4 | -177.3 | 62.5 | 0 | 0 | 0 | 0 | 111 | S155 E333 | S155-T335 PolarHBondContact OG-OG1 2.88Å; S155-T335 VanDerWaalsContact OG-OG1 3.05Å; E333-T335 HydrophobicContact CB-CG2 4.06Å; E333-T335 PolarHBondContact O-N 3.36Å | ||
| 336 | F | 94.8 | Very high | 94.1 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | trans | -131.3 | 74.9 | 172.1 | -61.9 | -83.6 | 0 | 0 | 0 | 108.2 | L148 I334 Y338 L339 I344 V346 I351 V370 L373 | L148-F336 HydrophobicContact CB-CE1 4.24Å; L148-F336 HydrophobicContact CD1-CD1 4.19Å; L148-F336 HydrophobicContact CD1-CE1 4.09Å; I334-F336 HydrophobicContact CG2-CE2 4.09Å; F336-Y338 HydrophobicContact CB-CE2 4.43Å; F336-Y338 HydrophobicContact CD1-CE2 4.37Å; F336-Y338 PolarHBondContact O-N 3.18Å; F336-L339 HydrophobicContact CB-CB 4.04Å; F336-L339 HydrophobicContact CB-CD1 3.82Å; F336-L339 HydrophobicContact CB-CG 4.13Å; F336-L339 HydrophobicContact CD1-CD1 4.27Å; F336-L339 HydrophobicContact CG-CD1 4.12Å; F336-L339 PolarHBondContact O-N 3.11Å; F336-I344 HydrophobicContact CD2-CB 4.3Å; F336-I344 HydrophobicContact CD2-CG2 3.88Å; F336-I344 HydrophobicContact CE2-CD1 4.49Å; F336-I344 HydrophobicContact CE2-CG2 3.69Å; F336-I344 HydrophobicContact CZ-CD1 4.48Å; F336-V346 HydrophobicContact CD2-CG2 4.17Å; F336-V346 HydrophobicContact CE2-CG2 4.12Å; F336-I351 HydrophobicContact CE2-CD1 3.87Å; F336-I351 HydrophobicContact CZ-CD1 4.34Å; F336-V370 HydrophobicContact CE1-CG1 4.48Å; F336-V370 HydrophobicContact CE1-CG2 4.42Å; F336-V370 HydrophobicContact CZ-CG1 4.14Å; F336-V370 HydrophobicContact CZ-CG2 4.13Å; F336-L373 HydrophobicContact CE2-CD2 4.35Å; F336-L373 HydrophobicContact CZ-CD2 3.9Å | ||
| 337 | P | 93.1 | Very high | 93.7 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 73% | 0.727 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.1 | -168.1 | 24.9 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 338 | Y | 95.7 | Very high | 93.3 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4 | 177.1 | 48.2 | -102.5 | 0 | 0 | 0 | 113.2 | I9 V111 K113 I114 L148 T150 F336 | I9-Y338 HydrophobicContact CG2-CE1 4.23Å; V111-Y338 HydrophobicContact CG1-CG 4.43Å; V111-Y338 WeakPolarHBondContact O-CB 3.31Å; K113-Y338 CarbonylContact C-O 3.55Å; K113-Y338 WeakPolarHBondContact CA-O 3.44Å; I114-Y338 HydrophobicContact CD1-CD2 3.61Å; I114-Y338 HydrophobicContact CD1-CE2 3.95Å; I114-Y338 HydrophobicContact CD1-CG 4.5Å; I114-Y338 HydrophobicContact CG1-CD2 4.36Å; I114-Y338 PolarHBondContact N-O 3Å; L148-Y338 HydrophobicContact CD2-CE2 3.76Å; T150-Y338 HydrophobicContact CG2-CE1 3.95Å; T150-Y338 WeakPolarHBondContact CG2-OH 3.04Å; T150-Y338 PolarHBondContact OG1-OH 3.25Å; F336-Y338 HydrophobicContact CB-CE2 4.43Å; F336-Y338 HydrophobicContact CD1-CE2 4.37Å; F336-Y338 PolarHBondContact O-N 3.18Å |
| 339 | L | 96.3 | Very high | 93 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -115.7 | 148.6 | 175.3 | -67.2 | 176.5 | 0 | 0 | 0 | 110.9 | I114 L148 F336 T343 I344 M368 | I114-L339 HydrophobicContact CB-CD2 3.7Å; I114-L339 HydrophobicContact CD1-CD2 4.38Å; I114-L339 HydrophobicContact CG2-CD2 3.94Å; L148-L339 HydrophobicContact CD1-CD1 3.63Å; L148-L339 HydrophobicContact CD2-CD1 4.47Å; F336-L339 HydrophobicContact CB-CB 4.04Å; F336-L339 HydrophobicContact CB-CD1 3.82Å; F336-L339 HydrophobicContact CB-CG 4.13Å; F336-L339 HydrophobicContact CD1-CD1 4.27Å; F336-L339 HydrophobicContact CG-CD1 4.12Å; F336-L339 PolarHBondContact O-N 3.11Å; L339-T343 HydrophobicContact CD1-CG2 4.35Å; L339-T343 HydrophobicContact CD2-CG2 4.08Å; L339-I344 HydrophobicContact CD1-CB 4.48Å; L339-I344 HydrophobicContact CD1-CD1 3.85Å; L339-I344 HydrophobicContact CD1-CG1 4.17Å; L339-M368 HydrophobicContact CD1-SD 4.17Å; L339-M368 HydrophobicContact CD2-SD 4.09Å |
| 340 | D | 92.1 | Very high | 92.6 | Very high | 91 Ų | 91 | 56.9 Ų | 56.9 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | trans | -65.5 | 143.5 | 164.8 | -164.7 | -73.4 | 0 | 0 | 0 | 110.5 | E342 T343 | D340-E342 PolarHBondContact O-N 2.92Å; D340-E342 VanDerWaalsContact O-N 3.17Å; D340-E342 WeakPolarHBondContact OD1-CB 3.38Å; D340-E342 WeakPolarHBondContact OD1-CG 3.47Å; D340-E342 PolarHBondContact OD1-N 3.41Å; D340-T343 VanDerWaalsContact O-CB 3.31Å; D340-T343 WeakPolarHBondContact O-CB 3.46Å; D340-T343 PolarHBondContact O-N 2.89Å | ||
| 341 | S | 88.4 | Confident | 92.3 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 62% | 0.622 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -25.8 | 175.8 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | T343 I344 C345 | S341-T343 VanDerWaalsContact C-N 3.31Å; S341-I344 CarbonylContact O-C 3.49Å; S341-C345 WeakPolarHBondContact O-CA 3.33Å; S341-C345 PolarHBondContact O-N 3.39Å |
| 342 | E | 88.9 | Confident | 92.2 | Very high | 159 Ų | 159 | 58.2 Ų | 58.2 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.7 | 174.7 | -65.2 | -175.5 | 178 | 0 | 0 | 112.5 | D340 H361 | D340-E342 PolarHBondContact O-N 2.92Å; D340-E342 VanDerWaalsContact O-N 3.17Å; D340-E342 WeakPolarHBondContact OD1-CB 3.38Å; D340-E342 WeakPolarHBondContact OD1-CG 3.47Å; D340-E342 PolarHBondContact OD1-N 3.41Å; E342-H361 PolarHBondContact O-NE2 3.49Å |
| 343 | T | 93.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 9% | 0.092 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -51.3 | -178.8 | -63.2 | 0 | 0 | 0 | 0 | 110.8 | W126 L339 D340 S341 H361 M368 | W126-T343 HydrophobicContact CH2-CG2 4.11Å; W126-T343 HydrophobicContact CZ3-CG2 4.29Å; L339-T343 HydrophobicContact CD1-CG2 4.35Å; L339-T343 HydrophobicContact CD2-CG2 4.08Å; D340-T343 VanDerWaalsContact O-CB 3.31Å; D340-T343 WeakPolarHBondContact O-CB 3.46Å; D340-T343 PolarHBondContact O-N 2.89Å; S341-T343 VanDerWaalsContact C-N 3.31Å; T343-H361 PolarHBondContact O-CE1 3.05Å; T343-H361 PolarHBondContact O-NE2 2.85Å; T343-M368 HydrophobicContact CG2-CE 3.41Å; T343-M368 VanDerWaalsContact CG2-CE 3.41Å; T343-M368 HydrophobicContact CG2-SD 3.91Å |
| 344 | I | 93.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -134 | 107.7 | 170.6 | -63.8 | -178.2 | 0 | 0 | 0 | 108.6 | L148 F336 L339 S341 V346 I351 M368 V370 | L148-I344 HydrophobicContact CD1-CD1 3.45Å; L148-I344 VanDerWaalsContact CD1-CD1 3.45Å; F336-I344 HydrophobicContact CD2-CB 4.3Å; F336-I344 HydrophobicContact CD2-CG2 3.88Å; F336-I344 HydrophobicContact CE2-CD1 4.49Å; F336-I344 HydrophobicContact CE2-CG2 3.69Å; F336-I344 HydrophobicContact CZ-CD1 4.48Å; L339-I344 HydrophobicContact CD1-CB 4.48Å; L339-I344 HydrophobicContact CD1-CD1 3.85Å; L339-I344 HydrophobicContact CD1-CG1 4.17Å; S341-I344 CarbonylContact O-C 3.49Å; I344-V346 HydrophobicContact CG2-CG2 4.32Å; I344-I351 HydrophobicContact CG2-CD1 3.65Å; I344-I351 HydrophobicContact CG2-CG1 4.06Å; I344-M368 HydrophobicContact CD1-CE 3.83Å; I344-M368 HydrophobicContact CG1-CE 3.87Å; I344-V370 HydrophobicContact CD1-CG2 3.68Å |
| 345 | C | 90 | Very high | 92.5 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 57% | 0.574 | 30% | 0.301 | S | S | * | . | trans | -83.5 | 125.9 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | S341 | S341-C345 WeakPolarHBondContact O-CA 3.33Å; S341-C345 PolarHBondContact O-N 3.39Å | ||
| 346 | V | 91.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.8 | 172.7 | -174.1 | 0 | 0 | 0 | 0 | 109 | I334 F336 I344 N350 I351 | I334-V346 HydrophobicContact CB-CG1 3.96Å; I334-V346 HydrophobicContact CG2-CG1 4.15Å; I334-V346 HydrophobicContact CG2-CG2 4.05Å; I334-V346 WeakPolarHBondContact O-CG1 3.4Å; F336-V346 HydrophobicContact CD2-CG2 4.17Å; F336-V346 HydrophobicContact CE2-CG2 4.12Å; I344-V346 HydrophobicContact CG2-CG2 4.32Å; V346-N350 WeakPolarHBondContact CA-O 3.32Å; V346-I351 HydrophobicContact CG2-CD1 4.11Å; V346-I351 HydrophobicContact CG2-CG1 4.14Å |
| 347 | N | 90 | Very high | 92.8 | Very high | 121 Ų | 121 | 51.6 Ų | 51.6 | 65% | 0.647 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 112.3 | 174.8 | -179 | -3.5 | 0 | 0 | 0 | 110 | N349 N350 | N347-N349 VanDerWaalsContact C-N 3.27Å; N347-N349 PolarHBondContact O-N 3.42Å; N347-N350 PolarHBondContact N-O 3Å; N347-N350 WeakPolarHBondContact O-CA 3.49Å; N347-N350 WeakPolarHBondContact O-CB 3.48Å; N347-N350 PolarHBondContact O-N 3.14Å |
| 348 | N | 88.9 | Confident | 93 | Very high | 105 Ų | 105 | 46.3 Ų | 46.3 | 56% | 0.561 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 48 | -179.8 | -168.3 | 20.9 | 0 | 0 | 0 | 112.3 | N350 P426 | N348-N350 PolarHBondContact O-N 3.28Å; N348-P426 VanDerWaalsContact OD1-CG 3.26Å; N348-P426 WeakPolarHBondContact OD1-CG 3.41Å |
| 349 | N | 92.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 2.6 | -172.2 | -64.3 | -12.1 | 0 | 0 | 0 | 116.1 | Y332 E333 I334 N347 P426 T429 | Y332-N349 PolarHBondContact O-ND2 2.83Å; E333-N349 WeakPolarHBondContact CA-OD1 3.39Å; I334-N349 HydrophobicContact CD1-CB 3.85Å; I334-N349 HydrophobicContact CG1-CB 4.13Å; I334-N349 PolarHBondContact N-OD1 2.9Å; N347-N349 VanDerWaalsContact C-N 3.27Å; N347-N349 PolarHBondContact O-N 3.42Å; N349-P426 PolarHBondContact ND2-O 3.01Å; N349-T429 HydrophobicContact CB-CG2 4.22Å; N349-T429 WeakPolarHBondContact O-CB 3.44Å; N349-T429 PolarHBondContact O-OG1 3.37Å |
| 350 | N | 90.2 | Very high | 93.1 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 128 | 167.5 | -167.1 | -85.1 | 0 | 0 | 0 | 108.7 | V346 N347 N348 Q415 | V346-N350 WeakPolarHBondContact CA-O 3.32Å; N347-N350 PolarHBondContact N-O 3Å; N347-N350 WeakPolarHBondContact O-CA 3.49Å; N347-N350 WeakPolarHBondContact O-CB 3.48Å; N347-N350 PolarHBondContact O-N 3.14Å; N348-N350 PolarHBondContact O-N 3.28Å; N350-Q415 PolarHBondContact ND2-NE2 2.79Å; N350-Q415 PolarHBondContact OD1-NE2 3.27Å |
| 351 | I | 90 | Very high | 93.2 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137.4 | -179.9 | -160.1 | 179.1 | 0 | 0 | 0 | 108.6 | F336 I344 V346 L353 L373 Q415 V430 | F336-I351 HydrophobicContact CE2-CD1 3.87Å; F336-I351 HydrophobicContact CZ-CD1 4.34Å; I344-I351 HydrophobicContact CG2-CD1 3.65Å; I344-I351 HydrophobicContact CG2-CG1 4.06Å; V346-I351 HydrophobicContact CG2-CD1 4.11Å; V346-I351 HydrophobicContact CG2-CG1 4.14Å; I351-L353 HydrophobicContact CD1-CD1 3.46Å; I351-L353 VanDerWaalsContact CD1-CD1 3.46Å; I351-L353 HydrophobicContact CD1-CG 3.88Å; I351-L353 HydrophobicContact CG1-CD1 4.05Å; I351-L353 HydrophobicContact CG1-CG 3.9Å; I351-L353 HydrophobicContact CG2-CD1 4.49Å; I351-L373 HydrophobicContact CD1-CD2 3.63Å; I351-L373 HydrophobicContact CG2-CD2 4.46Å; I351-Q415 PolarHBondContact O-NE2 2.82Å; I351-V430 HydrophobicContact CG2-CG1 3.87Å |
| 352 | Q | 90.4 | Very high | 93.5 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 42% | 0.421 | 21% | 0.212 | S | C | . | . | trans | -102.6 | 82.8 | -176.9 | -70.9 | -100.1 | -20.9 | 0 | 0 | 108.8 | ||||
| 353 | L | 96 | Very high | 93.8 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | trans | -126.8 | 129.2 | 178.7 | -62.9 | 176.9 | 0 | 0 | 0 | 110.7 | I351 N355 Y356 Y358 A359 V370 C411 | I351-L353 HydrophobicContact CD1-CD1 3.46Å; I351-L353 VanDerWaalsContact CD1-CD1 3.46Å; I351-L353 HydrophobicContact CD1-CG 3.88Å; I351-L353 HydrophobicContact CG1-CD1 4.05Å; I351-L353 HydrophobicContact CG1-CG 3.9Å; I351-L353 HydrophobicContact CG2-CD1 4.49Å; L353-N355 PolarHBondContact O-N 3.15Å; L353-Y356 PolarHBondContact O-N 3.49Å; L353-Y358 CarbonylContact C-O 3.58Å; L353-Y358 VanDerWaalsContact CA-O 3.31Å; L353-Y358 WeakPolarHBondContact CA-O 3.24Å; L353-A359 HydrophobicContact CD2-CB 3.81Å; L353-V370 HydrophobicContact CD1-CB 3.83Å; L353-V370 HydrophobicContact CD1-CG1 4.33Å; L353-V370 HydrophobicContact CD1-CG2 3.64Å; L353-C411 PolarHBondContact O-SG 3.23Å | ||
| 354 | Y | 97.1 | Very high | 94 | Very high | 31 Ų | 31 | 37.4 Ų | 37.4 | 12% | 0.122 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -63.8 | 129.1 | 173.1 | 172.7 | -114.5 | 0 | 0 | 0 | 109.5 | Y356 M357 Y358 L401 P402 M407 D410 C411 | Y354-Y356 PolarHBondContact O-N 3.44Å; Y354-Y356 VanDerWaalsContact O-N 3.08Å; Y354-M357 PolarHBondContact O-N 3.28Å; Y354-Y358 HydrophobicContact CD1-CD2 4.18Å; Y354-Y358 PolarHBondContact N-O 2.98Å; Y354-Y358 PolarHBondContact O-N 3.21Å; Y354-Y358 VanDerWaalsContact O-N 3.09Å; Y354-L401 HydrophobicContact CD1-CD2 4.09Å; Y354-L401 HydrophobicContact CE1-CD2 4.02Å; Y354-P402 HydrophobicContact CE1-CG 4.04Å; Y354-M407 HydrophobicContact CD1-CG 3.79Å; Y354-M407 HydrophobicContact CD1-SD 3.77Å; Y354-M407 HydrophobicContact CD2-CB 4.2Å; Y354-M407 HydrophobicContact CD2-CG 4.01Å; Y354-M407 HydrophobicContact CE1-CG 4.32Å; Y354-M407 HydrophobicContact CG-CB 4Å; Y354-M407 HydrophobicContact CG-CG 3.6Å; Y354-M407 HydrophobicContact CG-SD 3.97Å; Y354-D410 HydrophobicContact CD2-CB 3.97Å; Y354-D410 WeakPolarHBondContact CD2-OD2 3.27Å; Y354-D410 HydrophobicContact CE2-CB 3.98Å; Y354-D410 WeakPolarHBondContact CE2-OD2 3.15Å; Y354-C411 VanDerWaalsContact CA-SG 3.52Å; Y354-C411 PolarHBondContact N-SG 2.91Å |
| 355 | N | 96.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 32.3 | -169.4 | -64.3 | -31.8 | 0 | 0 | 0 | 113.2 | L353 M357 Y437 Q440 L441 | L353-N355 PolarHBondContact O-N 3.15Å; N355-M357 WeakPolarHBondContact O-CG 3.4Å; N355-M357 PolarHBondContact O-N 3.43Å; N355-Y437 PolarHBondContact O-OH 2.95Å; N355-Q440 PolarHBondContact OD1-NE2 3.01Å; N355-L441 HydrophobicContact CB-CD2 4.06Å |
| 356 | Y | 96.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 23.4 | -174.2 | -59.2 | -72.1 | 0 | 0 | 0 | 115.5 | L353 Y354 V374 T414 I418 V430 V432 Y437 | L353-Y356 PolarHBondContact O-N 3.49Å; Y354-Y356 PolarHBondContact O-N 3.44Å; Y354-Y356 VanDerWaalsContact O-N 3.08Å; Y356-V374 HydrophobicContact CD1-CG1 4.35Å; Y356-V374 HydrophobicContact CD2-CG1 3.7Å; Y356-V374 HydrophobicContact CG-CG1 3.55Å; Y356-T414 HydrophobicContact CE2-CG2 4.06Å; Y356-T414 VanDerWaalsContact OH-CG2 3.31Å; Y356-T414 WeakPolarHBondContact OH-CG2 3.46Å; Y356-I418 WeakPolarHBondContact OH-CD1 3.45Å; Y356-V430 HydrophobicContact CD1-CB 4.43Å; Y356-V430 HydrophobicContact CD1-CG1 4.22Å; Y356-V430 HydrophobicContact CE1-CB 4.29Å; Y356-V430 HydrophobicContact CE1-CG1 4.18Å; Y356-V432 HydrophobicContact CD2-CG1 3.74Å; Y356-V432 HydrophobicContact CE2-CG1 3.51Å; Y356-Y437 HydrophobicContact CD2-CE2 4.17Å |
| 357 | M | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -42 | -176 | -70.6 | 175.2 | 71.5 | 0 | 0 | 113 | Y354 N355 P369 V370 I371 Q387 V390 A391 L441 | Y354-M357 PolarHBondContact O-N 3.28Å; N355-M357 WeakPolarHBondContact O-CG 3.4Å; N355-M357 PolarHBondContact O-N 3.43Å; M357-P369 HydrophobicContact CE-CB 4.24Å; M357-P369 CarbonylContact O-C 3.48Å; M357-P369 WeakPolarHBondContact O-CA 3.38Å; M357-V370 WeakPolarHBondContact CG-O 3.15Å; M357-V370 PolarHBondContact O-N 3.13Å; M357-I371 HydrophobicContact CE-CD1 3.96Å; M357-Q387 HydrophobicContact CE-CB 3.74Å; M357-Q387 HydrophobicContact CE-CG 4.27Å; M357-Q387 WeakPolarHBondContact CE-O 3.32Å; M357-Q387 HydrophobicContact CG-CB 4.37Å; M357-Q387 HydrophobicContact CG-CG 4.02Å; M357-Q387 VanDerWaalsContact CG-NE2 3.26Å; M357-Q387 HydrophobicContact SD-CB 3.75Å; M357-Q387 HydrophobicContact SD-CG 3.58Å; M357-Q387 VanDerWaalsContact SD-CG 3.58Å; M357-V390 HydrophobicContact CE-CB 4.41Å; M357-V390 HydrophobicContact CE-CG1 4.43Å; M357-A391 HydrophobicContact CE-CB 4.04Å; M357-L441 HydrophobicContact SD-CD2 4.12Å |
| 358 | Y | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -119.7 | 128.7 | -163.5 | -58 | -71.6 | 0 | 0 | 0 | 112.8 | L353 Y354 S360 P365 P369 A391 L394 L401 | L353-Y358 CarbonylContact C-O 3.58Å; L353-Y358 VanDerWaalsContact CA-O 3.31Å; L353-Y358 WeakPolarHBondContact CA-O 3.24Å; Y354-Y358 HydrophobicContact CD1-CD2 4.18Å; Y354-Y358 PolarHBondContact N-O 2.98Å; Y354-Y358 PolarHBondContact O-N 3.21Å; Y354-Y358 VanDerWaalsContact O-N 3.09Å; Y358-S360 PolarHBondContact O-N 3Å; Y358-P365 WeakPolarHBondContact CD1-O 3.33Å; Y358-P369 HydrophobicContact CD1-CB 4.35Å; Y358-P369 HydrophobicContact CE1-CB 3.69Å; Y358-A391 VanDerWaalsContact OH-CA 3.24Å; Y358-A391 WeakPolarHBondContact OH-CA 3.29Å; Y358-L394 HydrophobicContact CE2-CD1 3.92Å; Y358-L394 WeakPolarHBondContact OH-CD1 3.41Å; Y358-L401 HydrophobicContact CD1-CD1 4.08Å; Y358-L401 HydrophobicContact CD2-CD1 4.43Å; Y358-L401 HydrophobicContact CD2-CD2 3.7Å; Y358-L401 HydrophobicContact CE2-CD2 3.89Å; Y358-L401 HydrophobicContact CG-CD1 4.01Å; Y358-L401 HydrophobicContact CG-CD2 4.12Å |
| 359 | A | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | trans | -82.9 | 106.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | L353 H361 L362 P365 | L353-A359 HydrophobicContact CD2-CB 3.81Å; A359-H361 PolarHBondContact O-N 3.35Å; A359-H361 VanDerWaalsContact O-N 3.16Å; A359-L362 HydrophobicContact CB-CD1 3.84Å; A359-L362 HydrophobicContact CB-CG 4.08Å; A359-L362 PolarHBondContact O-N 2.96Å; A359-P365 WeakPolarHBondContact O-CB 3.48Å | ||
| 360 | S | 96.2 | Very high | 96.1 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 8% | 0.084 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.2 | -168.8 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | Y358 R404 E408 | Y358-S360 PolarHBondContact O-N 3Å; S360-R404 WeakPolarHBondContact O-CD 3.25Å; S360-R404 WeakPolarHBondContact O-CG 3.46Å; S360-E408 WeakPolarHBondContact OG-CG 3.37Å |
| 361 | H | 94.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 20.7 Ų | 20.7 | 35% | 0.347 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -10.5 | 179.9 | 65.9 | -77.4 | 0 | 0 | 0 | 113.6 | E342 T343 A359 | E342-H361 PolarHBondContact O-NE2 3.49Å; T343-H361 PolarHBondContact O-CE1 3.05Å; T343-H361 PolarHBondContact O-NE2 2.85Å; A359-H361 PolarHBondContact O-N 3.35Å; A359-H361 VanDerWaalsContact O-N 3.16Å |
| 362 | L | 95.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -72.5 | 146.7 | 174.5 | -64.3 | 175.2 | 0 | 0 | 0 | 110.7 | W126 A359 H364 P365 M368 | W126-L362 HydrophobicContact CH2-CD1 4.34Å; W126-L362 HydrophobicContact CH2-CD2 4.41Å; W126-L362 HydrophobicContact CZ2-CD1 4.37Å; A359-L362 HydrophobicContact CB-CD1 3.84Å; A359-L362 HydrophobicContact CB-CG 4.08Å; A359-L362 PolarHBondContact O-N 2.96Å; L362-H364 VanDerWaalsContact C-N 3.31Å; L362-H364 PolarHBondContact O-N 3.38Å; L362-P365 HydrophobicContact CB-CG 4.29Å; L362-P365 VanDerWaalsContact O-CD 3.29Å; L362-P365 WeakPolarHBondContact O-CD 3.21Å; L362-P365 VanDerWaalsContact O-CG 3.27Å; L362-P365 WeakPolarHBondContact O-CG 3.38Å; L362-M368 HydrophobicContact CD1-CE 3.44Å; L362-M368 VanDerWaalsContact CD1-CE 3.44Å |
| 363 | P | 95 | Very high | 97.1 | Very high | 64 Ų | 64 | 16.7 Ų | 16.7 | 42% | 0.416 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -62.6 | -36.4 | 174.9 | -24.4 | 35.1 | 0 | 0 | 0 | 113.4 | D121 | D121-P363 WeakPolarHBondContact OD1-CG 3.47Š|
| 364 | H | 96.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 16.4 Ų | 16.4 | 19% | 0.194 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -126.3 | 71.4 | 178.1 | -58.8 | -86.2 | 0 | 0 | 0 | 110.7 | H120 D121 G124 L362 E366 T367 | H120-H364 PolarHBondContact O-CD2 2.98Å; H120-H364 PolarHBondContact O-NE2 2.95Å; D121-H364 PolarHBondContact O-NE2 3.24Å; G124-H364 VanDerWaalsContact CA-CD2 3.43Å; G124-H364 WeakPolarHBondContact CA-CD2 3.44Å; G124-H364 PolarHBondContact N-CD2 3.22Å; L362-H364 VanDerWaalsContact C-N 3.31Å; L362-H364 PolarHBondContact O-N 3.38Å; H364-E366 IonicContact ND1-OE1 2.78Å; H364-E366 PolarHBondContact O-N 3.27Å; H364-T367 HydrophobicContact CB-CG2 3.99Å; H364-T367 PolarHBondContact O-N 2.99Å; H364-T367 PolarHBondContact O-OG1 3.29Å |
| 365 | P | 97.5 | Very high | 96.9 | Very high | 10 Ų | 10 | 16.3 Ų | 16.3 | 7% | 0.065 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -59.6 | -32.9 | -174.7 | -22.9 | 33.8 | 0 | 0 | 0 | 113.6 | Y358 A359 L362 T367 M368 L401 M407 | Y358-P365 WeakPolarHBondContact CD1-O 3.33Å; A359-P365 WeakPolarHBondContact O-CB 3.48Å; L362-P365 HydrophobicContact CB-CG 4.29Å; L362-P365 VanDerWaalsContact O-CD 3.29Å; L362-P365 WeakPolarHBondContact O-CD 3.21Å; L362-P365 VanDerWaalsContact O-CG 3.27Å; L362-P365 WeakPolarHBondContact O-CG 3.38Å; P365-T367 PolarHBondContact O-N 2.75Å; P365-M368 PolarHBondContact O-N 3.23Å; P365-M368 VanDerWaalsContact O-N 3.14Å; P365-L401 HydrophobicContact CB-CD1 3.8Å; P365-L401 HydrophobicContact CG-CD1 4.45Å; P365-M407 HydrophobicContact CG-CE 4.36Å |
| 366 | E | 97.8 | Very high | 96.9 | Very high | 53 Ų | 53 | 16.5 Ų | 16.5 | 25% | 0.248 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -62.5 | -20.3 | -179 | 71 | -70.7 | 167 | 0 | 0 | 113.9 | H364 M368 L394 L401 | H364-E366 IonicContact ND1-OE1 2.78Å; H364-E366 PolarHBondContact O-N 3.27Å; E366-M368 VanDerWaalsContact C-N 3.34Å; E366-L394 HydrophobicContact CB-CB 4.4Å; E366-L401 HydrophobicContact CB-CD1 3.93Å |
| 367 | T | 98.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -83.9 | -6.9 | 178.4 | 71.4 | 0 | 0 | 0 | 0 | 113.3 | G124 W126 Q144 A145 V146 H364 P365 L395 | G124-T367 PolarHBondContact O-OG1 2.95Å; W126-T367 PolarHBondContact NE1-OG1 2.81Å; Q144-T367 WeakPolarHBondContact O-CB 3.22Å; Q144-T367 WeakPolarHBondContact O-CG2 3.38Å; A145-T367 CarbonylContact C-O 3.57Å; A145-T367 WeakPolarHBondContact CA-O 3.41Å; A145-T367 WeakPolarHBondContact CB-O 3.25Å; V146-T367 PolarHBondContact N-O 3.26Å; H364-T367 HydrophobicContact CB-CG2 3.99Å; H364-T367 PolarHBondContact O-N 2.99Å; H364-T367 PolarHBondContact O-OG1 3.29Å; P365-T367 PolarHBondContact O-N 2.75Å; T367-L395 HydrophobicContact CG2-CD1 4.24Å |
| 368 | M | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -136.7 | 67.2 | 176.5 | -163.4 | -173.4 | 56.8 | 0 | 0 | 114.2 | W126 V146 L148 L339 T343 I344 L362 P365 E366 | W126-M368 HydrophobicContact CH2-CE 4.13Å; W126-M368 HydrophobicContact CH2-SD 3.91Å; W126-M368 HydrophobicContact CZ2-CB 3.83Å; W126-M368 HydrophobicContact CZ2-CE 4.33Å; W126-M368 HydrophobicContact CZ2-CG 4.41Å; W126-M368 HydrophobicContact CZ2-SD 4.03Å; W126-M368 HydrophobicContact CZ3-SD 4.3Å; V146-M368 HydrophobicContact CB-CG 4.39Å; V146-M368 VanDerWaalsContact O-CA 3.28Å; V146-M368 WeakPolarHBondContact O-CA 3.27Å; L148-M368 HydrophobicContact CD1-CG 3.95Å; L148-M368 HydrophobicContact CD1-SD 3.98Å; L148-M368 HydrophobicContact CG-CG 4.13Å; L339-M368 HydrophobicContact CD1-SD 4.17Å; L339-M368 HydrophobicContact CD2-SD 4.09Å; T343-M368 HydrophobicContact CG2-CE 3.41Å; T343-M368 VanDerWaalsContact CG2-CE 3.41Å; T343-M368 HydrophobicContact CG2-SD 3.91Å; I344-M368 HydrophobicContact CD1-CE 3.83Å; I344-M368 HydrophobicContact CG1-CE 3.87Å; L362-M368 HydrophobicContact CD1-CE 3.44Å; L362-M368 VanDerWaalsContact CD1-CE 3.44Å; P365-M368 PolarHBondContact O-N 3.23Å; P365-M368 VanDerWaalsContact O-N 3.14Å; E366-M368 VanDerWaalsContact C-N 3.34Å |
| 369 | P | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -72.6 | 138.3 | 176.4 | 30.8 | -35.8 | 0 | 0 | 0 | 112.5 | F147 L148 M357 Y358 I371 A391 | F147-P369 HydrophobicContact CB-CG 4.4Å; F147-P369 HydrophobicContact CD1-CG 3.34Å; F147-P369 HydrophobicContact CD2-CG 4.14Å; F147-P369 HydrophobicContact CE1-CG 3.5Å; F147-P369 HydrophobicContact CE2-CG 4.28Å; F147-P369 HydrophobicContact CG-CG 3.7Å; F147-P369 HydrophobicContact CZ-CG 3.99Å; L148-P369 PolarHBondContact N-O 3.4Å; M357-P369 HydrophobicContact CE-CB 4.24Å; M357-P369 CarbonylContact O-C 3.48Å; M357-P369 WeakPolarHBondContact O-CA 3.38Å; Y358-P369 HydrophobicContact CD1-CB 4.35Å; Y358-P369 HydrophobicContact CE1-CB 3.69Å; P369-I371 HydrophobicContact CB-CD1 3.93Å; P369-I371 HydrophobicContact CG-CD1 4.33Å; P369-A391 HydrophobicContact CB-CB 4.02Å; P369-A391 HydrophobicContact CG-CB 3.84Å | ||
| 370 | V | 98.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -86 | 126.4 | 163.5 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | L148 F336 I344 L353 M357 L373 | L148-V370 HydrophobicContact CB-CG2 4.31Å; L148-V370 HydrophobicContact CD1-CG2 3.9Å; F336-V370 HydrophobicContact CE1-CG1 4.48Å; F336-V370 HydrophobicContact CE1-CG2 4.42Å; F336-V370 HydrophobicContact CZ-CG1 4.14Å; F336-V370 HydrophobicContact CZ-CG2 4.13Å; I344-V370 HydrophobicContact CD1-CG2 3.68Å; L353-V370 HydrophobicContact CD1-CB 3.83Å; L353-V370 HydrophobicContact CD1-CG1 4.33Å; L353-V370 HydrophobicContact CD1-CG2 3.64Å; M357-V370 WeakPolarHBondContact CG-O 3.15Å; M357-V370 PolarHBondContact O-N 3.13Å; V370-L373 HydrophobicContact CG1-CB 3.45Å; V370-L373 VanDerWaalsContact CG1-CB 3.45Å; V370-L373 HydrophobicContact CG1-CD2 3.88Å; V370-L373 HydrophobicContact CG1-CG 4.31Å |
| 371 | I | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | trans | -118.1 | 126.7 | -175.2 | -51.6 | -61.8 | 0 | 0 | 0 | 110.6 | S14 F147 L148 M357 P369 L373 Q387 C388 A391 | S14-I371 PolarHBondContact OG-O 3.16Å; F147-I371 HydrophobicContact CD2-CG1 4.38Å; L148-I371 PolarHBondContact O-N 3.19Å; M357-I371 HydrophobicContact CE-CD1 3.96Å; P369-I371 HydrophobicContact CB-CD1 3.93Å; P369-I371 HydrophobicContact CG-CD1 4.33Å; I371-L373 VanDerWaalsContact C-N 3.34Å; I371-Q387 HydrophobicContact CD1-CB 3.82Å; I371-Q387 HydrophobicContact CG2-CB 4.31Å; I371-C388 VanDerWaalsContact CG2-SG 3.57Å; I371-A391 HydrophobicContact CD1-CB 4.45Å | ||
| 372 | G | 97.5 | Very high | 96.8 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 7% | 0.072 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 77.6 | 14.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V374 S384 | G372-V374 VanDerWaalsContact C-N 3.27Å; G372-V374 PolarHBondContact O-N 3.42Å; G372-S384 VanDerWaalsContact CA-OG 3.28Å; G372-S384 WeakPolarHBondContact CA-OG 3.41Å |
| 373 | L | 96.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | trans | -89.9 | 57.7 | 171.9 | -169.9 | 64.9 | 0 | 0 | 0 | 111.5 | H152 I334 F336 I351 V370 I371 | H152-L373 HydrophobicContact CB-CD1 3.6Å; I334-L373 HydrophobicContact CD1-CD1 4.06Å; I334-L373 HydrophobicContact CG1-CD1 4.17Å; I334-L373 HydrophobicContact CG2-CD1 4.05Å; I334-L373 HydrophobicContact CG2-CD2 3.78Å; F336-L373 HydrophobicContact CE2-CD2 4.35Å; F336-L373 HydrophobicContact CZ-CD2 3.9Å; I351-L373 HydrophobicContact CD1-CD2 3.63Å; I351-L373 HydrophobicContact CG2-CD2 4.46Å; V370-L373 HydrophobicContact CG1-CB 3.45Å; V370-L373 VanDerWaalsContact CG1-CB 3.45Å; V370-L373 HydrophobicContact CG1-CD2 3.88Å; V370-L373 HydrophobicContact CG1-CG 4.31Å; I371-L373 VanDerWaalsContact C-N 3.34Å | ||
| 374 | V | 95.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.024 | 6% | 0.064 | C | C | . | . | trans | -139.9 | 154.1 | 171.3 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | Y356 G372 P376 I380 I383 V430 V432 Y437 | Y356-V374 HydrophobicContact CD1-CG1 4.35Å; Y356-V374 HydrophobicContact CD2-CG1 3.7Å; Y356-V374 HydrophobicContact CG-CG1 3.55Å; G372-V374 VanDerWaalsContact C-N 3.27Å; G372-V374 PolarHBondContact O-N 3.42Å; V374-P376 VanDerWaalsContact O-CD 3.29Å; V374-P376 WeakPolarHBondContact O-CD 3.33Å; V374-I380 HydrophobicContact CG2-CD1 3.39Å; V374-I383 HydrophobicContact CG2-CG2 3.73Å; V374-V430 WeakPolarHBondContact CA-O 3.43Å; V374-V432 HydrophobicContact CB-CG1 4.23Å; V374-V432 HydrophobicContact CB-CG2 3.98Å; V374-V432 HydrophobicContact CG1-CG1 4.12Å; V374-V432 HydrophobicContact CG2-CG2 3.93Å; V374-Y437 HydrophobicContact CG1-CE1 4.34Å; V374-Y437 HydrophobicContact CG2-CE1 4.21Å | ||
| 375 | Q | 94.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 9.9 Ų | 9.9 | 14% | 0.136 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 92.3 | 175.2 | -178.8 | 161.2 | 103 | 0 | 0 | 109 | H282 R427 V430 Q431 V432 | H282-Q375 WeakPolarHBondContact CE1-CG 3.39Å; H282-Q375 VanDerWaalsContact CG-OE1 3.25Å; H282-Q375 VanDerWaalsContact ND1-CG 3.29Å; H282-Q375 WeakPolarHBondContact ND1-CG 3.5Å; Q375-R427 PolarHBondContact OE1-O 3.35Å; Q375-V430 HydrophobicContact CB-CG2 4.29Å; Q375-V430 PolarHBondContact N-O 2.92Å; Q375-Q431 WeakPolarHBondContact O-CA 3.36Å; Q375-Q431 PolarHBondContact O-OE1 2.9Å; Q375-V432 PolarHBondContact O-N 2.96Å |
| 376 | P | 95 | Very high | 97.2 | Very high | 9 Ų | 9 | 9.5 Ų | 9.5 | 6% | 0.058 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 147.4 | -174.5 | 29.6 | -33.5 | 0 | 0 | 0 | 113.5 | H282 V374 G378 I380 I383 V432 | H282-P376 PolarHBondContact CE1-O 3.23Å; V374-P376 VanDerWaalsContact O-CD 3.29Å; V374-P376 WeakPolarHBondContact O-CD 3.33Å; P376-G378 PolarHBondContact O-N 3.2Å; P376-I380 HydrophobicContact CG-CB 4.07Å; P376-I380 HydrophobicContact CG-CD1 4.39Å; P376-I383 HydrophobicContact CB-CD1 3.4Å; P376-I383 HydrophobicContact CG-CD1 3.8Å; P376-V432 CarbonylContact C-O 3.51Å; P376-V432 WeakPolarHBondContact CA-O 3.5Å; P376-V432 HydrophobicContact CB-CG2 3.76Å |
| 377 | W | 92.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 7 Ų | 7 | 3% | 0.034 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 79.2 | 153.1 | -157.2 | 90.9 | 0 | 0 | 0 | 108.5 | Y233 L237 L238 F279 P283 V432 Y434 | Y233-W377 HydrophobicContact CE2-CH2 4.47Å; Y233-W377 HydrophobicContact CE2-CZ2 4.39Å; L237-W377 HydrophobicContact CB-CH2 3.47Å; L237-W377 VanDerWaalsContact CB-CH2 3.47Å; L237-W377 HydrophobicContact CB-CZ3 3.95Å; L237-W377 HydrophobicContact CD1-CH2 3.72Å; L237-W377 HydrophobicContact CD1-CZ2 4.16Å; L237-W377 HydrophobicContact CG-CH2 4.24Å; L238-W377 HydrophobicContact CD2-CE3 3.35Å; L238-W377 HydrophobicContact CD2-CZ3 3.39Å; L238-W377 HydrophobicContact CG-CE3 4Å; L238-W377 HydrophobicContact CG-CZ3 3.64Å; F279-W377 AromaticContact CE1-CZ2 3.94Å; F279-W377 HydrophobicContact CE1-CZ2 3.94Å; P283-W377 VanDerWaalsContact CD-CD1 3.48Å; P283-W377 HydrophobicContact CG-CG 4.26Å; W377-V432 PolarHBondContact N-O 3.34Å; W377-Y434 VanDerWaalsContact O-CB 3.23Å; W377-Y434 WeakPolarHBondContact O-CB 3.43Å |
| 378 | G | 94.8 | Very high | 97.3 | Very high | 14 Ų | 14 | 6.7 Ų | 6.7 | 14% | 0.144 | 4% | 0.039 | C | C | . | . | S | Bend | trans | 145.9 | -160.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P376 | P376-G378 PolarHBondContact O-N 3.2Š|
| 379 | S | 96.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.007 | 4% | 0.039 | C | C | . | . | trans | -90 | 138 | -179.6 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | T63 M67 T68 Y434 | T63-S379 PolarHBondContact OG1-OG 3.12Å; M67-S379 VanDerWaalsContact O-CB 3.28Å; M67-S379 WeakPolarHBondContact O-CB 3.35Å; T68-S379 WeakPolarHBondContact CA-OG 3.37Å; T68-S379 PolarHBondContact OG1-OG 2.99Å; S379-Y434 WeakPolarHBondContact O-CD2 3.42Å; S379-Y434 WeakPolarHBondContact O-CE2 3.46Å | ||
| 380 | I | 97.3 | Very high | 97.4 | Very high | 46 Ų | 46 | 6.6 Ų | 6.6 | 24% | 0.236 | 4% | 0.039 | C | C | . | . | S | Bend | trans | -78.8 | -30.4 | 177.4 | -175.1 | 54.4 | 0 | 0 | 0 | 112.8 | V374 P376 I383 S384 | V374-I380 HydrophobicContact CG2-CD1 3.39Å; P376-I380 HydrophobicContact CG-CB 4.07Å; P376-I380 HydrophobicContact CG-CD1 4.39Å; I380-I383 HydrophobicContact CD1-CB 4.17Å; I380-I383 HydrophobicContact CD1-CG2 4.1Å; I380-I383 WeakPolarHBondContact O-CA 3.22Å; I380-I383 WeakPolarHBondContact O-CB 3.3Å; I380-I383 PolarHBondContact O-N 3.35Å; I380-S384 PolarHBondContact O-N 3.48Å; I380-S384 PolarHBondContact O-OG 3.24Å |
| 381 | M | 98 | Very high | 97.4 | Very high | 5 Ų | 5 | 6.5 Ų | 6.5 | 3% | 0.025 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | -173.4 | -65 | 71 | 168.1 | 0 | 0 | 113.3 | P13 W42 I61 T68 F70 L88 I383 S384 E385 | P13-M381 HydrophobicContact CB-CG 4.01Å; P13-M381 HydrophobicContact CG-CG 4.47Å; W42-M381 HydrophobicContact CZ2-CE 3.78Å; W42-M381 VanDerWaalsContact NE1-CE 3.25Å; I61-M381 HydrophobicContact CD1-CE 3.7Å; I61-M381 HydrophobicContact CD1-SD 4.34Å; T68-M381 HydrophobicContact CG2-CB 4.32Å; T68-M381 HydrophobicContact CG2-CE 4.34Å; T68-M381 HydrophobicContact CG2-CG 4.08Å; T68-M381 HydrophobicContact CG2-SD 3.94Å; T68-M381 WeakPolarHBondContact O-CB 3.42Å; F70-M381 HydrophobicContact CE1-CB 4.07Å; L88-M381 HydrophobicContact CD2-CE 4.23Å; M381-I383 VanDerWaalsContact C-N 3.3Å; M381-I383 PolarHBondContact O-N 2.82Å; M381-S384 PolarHBondContact O-N 2.84Å; M381-E385 PolarHBondContact O-N 3.25Å; M381-E385 VanDerWaalsContact O-N 3.15Å |
| 382 | P | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.006 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -69.6 | -29.3 | 175.8 | -16.6 | 30.9 | 0 | 0 | 0 | 113.3 | M67 E385 M386 Y434 M438 P472 | M67-P382 WeakPolarHBondContact O-CG 3.29Å; P382-E385 PolarHBondContact O-N 3.15Å; P382-M386 WeakPolarHBondContact O-CB 3.39Å; P382-M386 PolarHBondContact O-N 3Å; P382-Y434 HydrophobicContact CB-CE2 4.15Å; P382-Y434 WeakPolarHBondContact CB-OH 3.44Å; P382-Y434 HydrophobicContact CG-CE2 4.12Å; P382-M438 HydrophobicContact CB-CE 4.21Å; P382-P472 HydrophobicContact CB-CB 3.87Å; P382-P472 HydrophobicContact CB-CG 3.5Å; P382-P472 VanDerWaalsContact CB-CG 3.5Å; P382-P472 HydrophobicContact CG-CB 4.2Å; P382-P472 HydrophobicContact CG-CG 3.32Å |
| 383 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -67.4 | -48.5 | 176.4 | -74.3 | 167.2 | 0 | 0 | 0 | 109.6 | V374 P376 I380 M381 E385 M386 Q387 V432 Y434 Y437 M438 | V374-I383 HydrophobicContact CG2-CG2 3.73Å; P376-I383 HydrophobicContact CB-CD1 3.4Å; P376-I383 HydrophobicContact CG-CD1 3.8Å; I380-I383 HydrophobicContact CD1-CB 4.17Å; I380-I383 HydrophobicContact CD1-CG2 4.1Å; I380-I383 WeakPolarHBondContact O-CA 3.22Å; I380-I383 WeakPolarHBondContact O-CB 3.3Å; I380-I383 PolarHBondContact O-N 3.35Å; M381-I383 VanDerWaalsContact C-N 3.3Å; M381-I383 PolarHBondContact O-N 2.82Å; I383-E385 VanDerWaalsContact C-N 3.26Å; I383-E385 PolarHBondContact O-N 2.87Å; I383-M386 PolarHBondContact O-N 3.41Å; I383-M386 VanDerWaalsContact O-N 3.09Å; I383-Q387 HydrophobicContact CG2-CG 4.31Å; I383-Q387 WeakPolarHBondContact O-CG 3.4Å; I383-Q387 PolarHBondContact O-N 3.31Å; I383-V432 HydrophobicContact CD1-CG2 4.22Å; I383-Y434 HydrophobicContact CD1-CD2 3.82Å; I383-Y434 HydrophobicContact CD1-CE2 4.41Å; I383-Y434 HydrophobicContact CG1-CD2 4.08Å; I383-Y434 HydrophobicContact CG1-CE2 4.21Å; I383-Y437 HydrophobicContact CD1-CD1 4.25Å; I383-Y437 HydrophobicContact CG1-CD1 4.28Å; I383-Y437 HydrophobicContact CG2-CD1 3.8Å; I383-Y437 HydrophobicContact CG2-CE1 3.44Å; I383-Y437 VanDerWaalsContact CG2-CE1 3.44Å; I383-M438 HydrophobicContact CB-SD 4.24Å; I383-M438 HydrophobicContact CG1-CG 3.98Å; I383-M438 HydrophobicContact CG1-SD 3.6Å; I383-M438 VanDerWaalsContact CG1-SD 3.6Å |
| 384 | S | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.007 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -55.8 | -43.3 | 175.1 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | S14 G372 I380 M381 M386 Q387 C388 | S14-S384 WeakPolarHBondContact OG-CB 3.31Å; S14-S384 PolarHBondContact OG-OG 3.43Å; G372-S384 VanDerWaalsContact CA-OG 3.28Å; G372-S384 WeakPolarHBondContact CA-OG 3.41Å; I380-S384 PolarHBondContact O-N 3.48Å; I380-S384 PolarHBondContact O-OG 3.24Å; M381-S384 PolarHBondContact O-N 2.84Å; S384-M386 PolarHBondContact O-N 3.46Å; S384-Q387 WeakPolarHBondContact O-CB 3.24Å; S384-Q387 PolarHBondContact O-N 3.49Å; S384-C388 PolarHBondContact O-N 3.06Å; S384-C388 PolarHBondContact O-SG 2.99Å |
| 385 | E | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.009 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.5 | -168.4 | -162.8 | 171.5 | 0 | 0 | 112.3 | T17 I21 F70 S71 M381 P382 I383 Q387 C388 R389 R476 | T17-E385 HydrophobicContact CG2-CB 3.85Å; T17-E385 HydrophobicContact CG2-CG 3.94Å; I21-E385 HydrophobicContact CD1-CG 4.47Å; F70-E385 WeakPolarHBondContact CA-OE2 3.06Å; S71-E385 VanDerWaalsContact CB-OE2 3.24Å; S71-E385 WeakPolarHBondContact CB-OE2 3.31Å; S71-E385 PolarHBondContact N-OE2 2.79Å; S71-E385 PolarHBondContact OG-OE1 3.48Å; S71-E385 PolarHBondContact OG-OE2 2.94Å; M381-E385 PolarHBondContact O-N 3.25Å; M381-E385 VanDerWaalsContact O-N 3.15Å; P382-E385 PolarHBondContact O-N 3.15Å; I383-E385 VanDerWaalsContact C-N 3.26Å; I383-E385 PolarHBondContact O-N 2.87Å; E385-Q387 VanDerWaalsContact C-N 3.34Å; E385-Q387 PolarHBondContact O-N 3.26Å; E385-C388 WeakPolarHBondContact O-CB 3.48Å; E385-C388 PolarHBondContact O-N 2.93Å; E385-R389 WeakPolarHBondContact O-CG 3.23Å; E385-R389 PolarHBondContact O-N 3.49Å; E385-R476 IonicContact OE1-CZ 2.62Å; E385-R476 IonicContact OE1-NE 3.11Å; E385-R476 IonicContact OE1-NH2 3.69Å; E385-R476 PolarHBondContact OE1-NH2 3.32Å |
| 386 | M | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 2% | 0.015 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 177.5 | -176.3 | 56.3 | 64.3 | 0 | 0 | 111.8 | P382 I383 S384 C388 R389 V390 M438 L441 I445 Y475 | P382-M386 WeakPolarHBondContact O-CB 3.39Å; P382-M386 PolarHBondContact O-N 3Å; I383-M386 PolarHBondContact O-N 3.41Å; I383-M386 VanDerWaalsContact O-N 3.09Å; S384-M386 PolarHBondContact O-N 3.46Å; M386-C388 VanDerWaalsContact C-N 3.34Å; M386-R389 PolarHBondContact O-N 3.26Å; M386-R389 HydrophobicContact SD-CB 4.46Å; M386-V390 WeakPolarHBondContact O-CG2 3.35Å; M386-V390 PolarHBondContact O-N 3.23Å; M386-M438 HydrophobicContact CB-CE 3.87Å; M386-M438 HydrophobicContact CB-SD 3.72Å; M386-M438 HydrophobicContact CE-CE 4.08Å; M386-M438 HydrophobicContact CG-CE 4.31Å; M386-M438 HydrophobicContact CG-SD 4.15Å; M386-L441 HydrophobicContact CB-CD1 4.5Å; M386-L441 HydrophobicContact CG-CB 3.57Å; M386-L441 HydrophobicContact CG-CD1 4.06Å; M386-L441 HydrophobicContact SD-CB 4.44Å; M386-I445 HydrophobicContact SD-CD1 3.94Å; M386-Y475 VanDerWaalsContact CE-CB 3.49Å; M386-Y475 HydrophobicContact CE-CD1 3.98Å; M386-Y475 HydrophobicContact CE-CG 3.79Å |
| 387 | Q | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 172 | -71.1 | -176.8 | -56.6 | 0 | 0 | 110.6 | M357 I371 I383 S384 E385 R389 V390 A391 Y437 L441 | M357-Q387 HydrophobicContact CE-CB 3.74Å; M357-Q387 HydrophobicContact CE-CG 4.27Å; M357-Q387 WeakPolarHBondContact CE-O 3.32Å; M357-Q387 HydrophobicContact CG-CB 4.37Å; M357-Q387 HydrophobicContact CG-CG 4.02Å; M357-Q387 VanDerWaalsContact CG-NE2 3.26Å; M357-Q387 HydrophobicContact SD-CB 3.75Å; M357-Q387 HydrophobicContact SD-CG 3.58Å; M357-Q387 VanDerWaalsContact SD-CG 3.58Å; I371-Q387 HydrophobicContact CD1-CB 3.82Å; I371-Q387 HydrophobicContact CG2-CB 4.31Å; I383-Q387 HydrophobicContact CG2-CG 4.31Å; I383-Q387 WeakPolarHBondContact O-CG 3.4Å; I383-Q387 PolarHBondContact O-N 3.31Å; S384-Q387 WeakPolarHBondContact O-CB 3.24Å; S384-Q387 PolarHBondContact O-N 3.49Å; E385-Q387 VanDerWaalsContact C-N 3.34Å; E385-Q387 PolarHBondContact O-N 3.26Å; Q387-R389 VanDerWaalsContact C-N 3.33Å; Q387-R389 PolarHBondContact O-N 3.34Å; Q387-V390 PolarHBondContact O-N 3.1Å; Q387-A391 WeakPolarHBondContact O-CB 3.39Å; Q387-A391 PolarHBondContact O-N 3.45Å; Q387-Y437 PolarHBondContact NE2-OH 3.1Å; Q387-L441 HydrophobicContact CG-CD1 3.67Å |
| 388 | C | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 173.7 | -65 | 0 | 0 | 0 | 0 | 112.2 | A18 I21 I371 S384 E385 M386 A391 C392 | A18-C388 WeakPolarHBondContact CA-SG 3.41Å; A18-C388 PolarHBondContact N-SG 3.37Å; A18-C388 VanDerWaalsContact N-SG 3.45Å; I21-C388 HydrophobicContact CB-CB 4.1Å; I21-C388 HydrophobicContact CG1-CB 3.89Å; I21-C388 HydrophobicContact CG2-CB 4.48Å; I371-C388 VanDerWaalsContact CG2-SG 3.57Å; S384-C388 PolarHBondContact O-N 3.06Å; S384-C388 PolarHBondContact O-SG 2.99Å; E385-C388 WeakPolarHBondContact O-CB 3.48Å; E385-C388 PolarHBondContact O-N 2.93Å; M386-C388 VanDerWaalsContact C-N 3.34Å; C388-A391 PolarHBondContact O-N 3.17Å; C388-C392 PolarHBondContact O-N 2.97Å; C388-C392 PolarHBondContact O-SG 2.86Å |
| 389 | R | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 177 | -70.4 | 177.1 | 72.2 | -165.7 | -0.2 | 112.5 | I21 E385 M386 Q387 H393 I445 Y475 P480 | I21-R389 HydrophobicContact CD1-CG 3.67Å; I21-R389 HydrophobicContact CG1-CG 3.96Å; I21-R389 HydrophobicContact CG2-CG 4.14Å; E385-R389 WeakPolarHBondContact O-CG 3.23Å; E385-R389 PolarHBondContact O-N 3.49Å; M386-R389 PolarHBondContact O-N 3.26Å; M386-R389 HydrophobicContact SD-CB 4.46Å; Q387-R389 VanDerWaalsContact C-N 3.33Å; Q387-R389 PolarHBondContact O-N 3.34Å; R389-H393 VanDerWaalsContact O-CB 3.25Å; R389-H393 WeakPolarHBondContact O-CB 3.44Å; R389-H393 PolarHBondContact O-N 3.25Å; R389-H393 VanDerWaalsContact O-N 3.09Å; R389-I445 HydrophobicContact CB-CD1 3.89Å; R389-Y475 PolarHBondContact NH1-O 2.53Å; R389-Y475 PolarHBondContact NH2-O 2.75Å; R389-P480 PolarHBondContact NH2-O 3.35Å |
| 390 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -47.2 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | M357 M386 Q387 C392 H393 L394 L441 I444 I445 | M357-V390 HydrophobicContact CE-CB 4.41Å; M357-V390 HydrophobicContact CE-CG1 4.43Å; M386-V390 WeakPolarHBondContact O-CG2 3.35Å; M386-V390 PolarHBondContact O-N 3.23Å; Q387-V390 PolarHBondContact O-N 3.1Å; V390-C392 PolarHBondContact O-N 3.28Å; V390-H393 WeakPolarHBondContact O-CB 3.37Å; V390-H393 PolarHBondContact O-N 3.3Å; V390-L394 HydrophobicContact CG1-CD1 3.77Å; V390-L394 HydrophobicContact CG1-CG 4.37Å; V390-L394 WeakPolarHBondContact O-CG 3.39Å; V390-L394 PolarHBondContact O-N 3.43Å; V390-L441 HydrophobicContact CG2-CB 3.89Å; V390-L441 HydrophobicContact CG2-CD2 4.32Å; V390-L441 WeakPolarHBondContact CG2-O 3.06Å; V390-I444 HydrophobicContact CG1-CD1 4.03Å; V390-I444 HydrophobicContact CG1-CG2 4.26Å; V390-I444 HydrophobicContact CG2-CB 4.49Å; V390-I444 HydrophobicContact CG2-CD1 4.49Å; V390-I445 HydrophobicContact CG2-CG2 4.04Å |
| 391 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F147 M357 Y358 P369 I371 Q387 C388 H393 L394 L395 | F147-A391 HydrophobicContact CE1-CB 4.43Å; F147-A391 HydrophobicContact CE2-CB 3.74Å; F147-A391 HydrophobicContact CZ-CB 3.64Å; M357-A391 HydrophobicContact CE-CB 4.04Å; Y358-A391 VanDerWaalsContact OH-CA 3.24Å; Y358-A391 WeakPolarHBondContact OH-CA 3.29Å; P369-A391 HydrophobicContact CB-CB 4.02Å; P369-A391 HydrophobicContact CG-CB 3.84Å; I371-A391 HydrophobicContact CD1-CB 4.45Å; Q387-A391 WeakPolarHBondContact O-CB 3.39Å; Q387-A391 PolarHBondContact O-N 3.45Å; C388-A391 PolarHBondContact O-N 3.17Å; A391-H393 VanDerWaalsContact C-N 3.31Å; A391-H393 PolarHBondContact O-N 2.84Å; A391-L394 PolarHBondContact O-N 2.81Å; A391-L395 VanDerWaalsContact O-CB 3.29Å; A391-L395 WeakPolarHBondContact O-CB 3.16Å; A391-L395 PolarHBondContact O-N 2.83Å |
| 392 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.7 | -30.6 | 177.7 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | I21 Y25 F27 C388 V390 A396 | I21-C392 HydrophobicContact CG2-CB 3.8Å; Y25-C392 HydrophobicContact CD1-CB 4.46Å; Y25-C392 HydrophobicContact CD2-CB 3.27Å; Y25-C392 HydrophobicContact CE2-CB 3.53Å; Y25-C392 HydrophobicContact CG-CB 3.79Å; F27-C392 HydrophobicContact CD2-CB 4.48Å; F27-C392 HydrophobicContact CE2-CB 3.91Å; C388-C392 PolarHBondContact O-N 2.97Å; C388-C392 PolarHBondContact O-SG 2.86Å; V390-C392 PolarHBondContact O-N 3.28Å; C392-A396 WeakPolarHBondContact O-CB 3.48Å; C392-A396 PolarHBondContact O-N 2.7Å |
| 393 | H | 98.5 | Very high | 98 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 175.1 | -165.2 | 77 | 0 | 0 | 0 | 112.6 | Y25 R389 V390 A391 F398 I445 | Y25-H393 HydrophobicContact CE1-CB 4.49Å; Y25-H393 WeakPolarHBondContact OH-CA 3.49Å; Y25-H393 VanDerWaalsContact OH-CB 3.29Å; Y25-H393 WeakPolarHBondContact OH-CB 3.3Å; Y25-H393 PolarHBondContact OH-ND1 2.93Å; Y25-H393 VanDerWaalsContact OH-ND1 3.08Å; R389-H393 VanDerWaalsContact O-CB 3.25Å; R389-H393 WeakPolarHBondContact O-CB 3.44Å; R389-H393 PolarHBondContact O-N 3.25Å; R389-H393 VanDerWaalsContact O-N 3.09Å; V390-H393 WeakPolarHBondContact O-CB 3.37Å; V390-H393 PolarHBondContact O-N 3.3Å; A391-H393 VanDerWaalsContact C-N 3.31Å; A391-H393 PolarHBondContact O-N 2.84Å; H393-F398 WeakPolarHBondContact CE1-CB 3.28Å; H393-F398 AromaticContact CE1-CG 3.95Å; H393-F398 AromaticContact ND1-CD2 3.86Å; H393-F398 WeakPolarHBondContact NE2-CB 3.31Å; H393-F398 PolarHBondContact O-N 2.97Å; H393-F398 VanDerWaalsContact O-N 3.12Å; H393-I445 HydrophobicContact CB-CG2 3.54Å |
| 394 | L | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -46.4 | 175.4 | -68.8 | 168.6 | 0 | 0 | 0 | 110.8 | Y358 E366 V390 A391 A396 G397 A399 L401 | Y358-L394 HydrophobicContact CE2-CD1 3.92Å; Y358-L394 WeakPolarHBondContact OH-CD1 3.41Å; E366-L394 HydrophobicContact CB-CB 4.4Å; V390-L394 HydrophobicContact CG1-CD1 3.77Å; V390-L394 HydrophobicContact CG1-CG 4.37Å; V390-L394 WeakPolarHBondContact O-CG 3.39Å; V390-L394 PolarHBondContact O-N 3.43Å; A391-L394 PolarHBondContact O-N 2.81Å; L394-A396 PolarHBondContact O-N 2.83Å; L394-G397 WeakPolarHBondContact O-CA 3.43Å; L394-G397 PolarHBondContact O-N 2.8Å; L394-A399 HydrophobicContact CD2-CB 3.89Å; L394-A399 WeakPolarHBondContact CD2-O 3.15Å; L394-L401 HydrophobicContact CD1-CD2 3.65Å; L394-L401 HydrophobicContact CD1-CG 4.1Å |
| 395 | L | 97.7 | Very high | 97.9 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -28.7 | 179.5 | -168.4 | 64.8 | 0 | 0 | 0 | 112.8 | M4 V6 F27 A145 F147 T367 A391 G397 | M4-L395 HydrophobicContact CE-CD1 4.18Å; M4-L395 HydrophobicContact CE-CG 4.1Å; M4-L395 HydrophobicContact CG-CD2 3.93Å; M4-L395 HydrophobicContact CG-CG 4.22Å; M4-L395 HydrophobicContact SD-CD1 4.36Å; M4-L395 HydrophobicContact SD-CD2 4.47Å; M4-L395 HydrophobicContact SD-CG 4.35Å; V6-L395 HydrophobicContact CG2-CD2 3.9Å; F27-L395 HydrophobicContact CD2-CD2 4.22Å; F27-L395 HydrophobicContact CE2-CB 4.07Å; F27-L395 HydrophobicContact CE2-CD2 3.77Å; F27-L395 HydrophobicContact CE2-CG 4.11Å; F27-L395 HydrophobicContact CZ-CB 4.22Å; F27-L395 HydrophobicContact CZ-CD2 4.33Å; F27-L395 HydrophobicContact CZ-CG 4.23Å; A145-L395 HydrophobicContact CB-CD1 4.01Å; A145-L395 HydrophobicContact CB-CD2 3.63Å; F147-L395 HydrophobicContact CE1-CD2 4.23Å; F147-L395 HydrophobicContact CZ-CD2 4.47Å; T367-L395 HydrophobicContact CG2-CD1 4.24Å; A391-L395 VanDerWaalsContact O-CB 3.29Å; A391-L395 WeakPolarHBondContact O-CB 3.16Å; A391-L395 PolarHBondContact O-N 2.83Å; L395-G397 PolarHBondContact O-N 2.86Å |
| 396 | A | 97.2 | Very high | 97.9 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y25 F27 C392 L394 F398 | Y25-A396 HydrophobicContact CD1-CB 3.7Å; Y25-A396 HydrophobicContact CE1-CB 4.04Å; F27-A396 HydrophobicContact CE1-CB 4.36Å; F27-A396 HydrophobicContact CZ-CB 3.82Å; C392-A396 WeakPolarHBondContact O-CB 3.48Å; C392-A396 PolarHBondContact O-N 2.7Å; L394-A396 PolarHBondContact O-N 2.83Å; A396-F398 VanDerWaalsContact C-N 3.35Å; A396-F398 HydrophobicContact CB-CD2 3.49Å; A396-F398 VanDerWaalsContact CB-CD2 3.49Å; A396-F398 HydrophobicContact CB-CE2 3.48Å; A396-F398 VanDerWaalsContact CB-CE2 3.48Å; A396-F398 HydrophobicContact CB-CG 4.47Å; A396-F398 HydrophobicContact CB-CZ 4.44Å; A396-F398 PolarHBondContact O-N 2.84Å |
| 397 | G | 96.3 | Very high | 97.8 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 58% | 0.577 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 17.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L394 L395 A399 | L394-G397 WeakPolarHBondContact O-CA 3.43Å; L394-G397 PolarHBondContact O-N 2.8Å; L395-G397 PolarHBondContact O-N 2.86Å; G397-A399 VanDerWaalsContact C-N 3.33Å |
| 398 | F | 97.4 | Very high | 97.7 | Very high | 136 Ų | 136 | 49.8 Ų | 49.8 | 60% | 0.596 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -80.2 | -16 | 178.1 | -65.2 | -58.3 | 0 | 0 | 0 | 113.5 | Y25 H393 A396 | Y25-F398 HydrophobicContact CD1-CD2 4.38Å; Y25-F398 AromaticContact CD1-CE2 3.95Å; Y25-F398 HydrophobicContact CD1-CE2 3.95Å; Y25-F398 AromaticContact CE1-CD2 3.74Å; Y25-F398 HydrophobicContact CE1-CD2 3.74Å; Y25-F398 AromaticContact CE1-CE2 3.65Å; Y25-F398 HydrophobicContact CE1-CE2 3.65Å; H393-F398 WeakPolarHBondContact CE1-CB 3.28Å; H393-F398 AromaticContact CE1-CG 3.95Å; H393-F398 AromaticContact ND1-CD2 3.86Å; H393-F398 WeakPolarHBondContact NE2-CB 3.31Å; H393-F398 PolarHBondContact O-N 2.97Å; H393-F398 VanDerWaalsContact O-N 3.12Å; A396-F398 VanDerWaalsContact C-N 3.35Å; A396-F398 HydrophobicContact CB-CD2 3.49Å; A396-F398 VanDerWaalsContact CB-CD2 3.49Å; A396-F398 HydrophobicContact CB-CE2 3.48Å; A396-F398 VanDerWaalsContact CB-CE2 3.48Å; A396-F398 HydrophobicContact CB-CG 4.47Å; A396-F398 HydrophobicContact CB-CZ 4.44Å; A396-F398 PolarHBondContact O-N 2.84Å |
| 399 | A | 96.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -150.9 | 165.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L394 G397 | L394-A399 HydrophobicContact CD2-CB 3.89Å; L394-A399 WeakPolarHBondContact CD2-O 3.15Å; G397-A399 VanDerWaalsContact C-N 3.33Å |
| 400 | N | 96.2 | Very high | 97.5 | Very high | 148 Ų | 148 | 56.5 Ų | 56.5 | 79% | 0.791 | 30% | 0.3 | S | S | * | . | trans | -115.7 | 151 | 175.8 | -63.7 | -46.5 | 0 | 0 | 0 | 110.5 | ||||
| 401 | L | 97.9 | Very high | 97.2 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 152.1 | 165.7 | -72 | 173.3 | 0 | 0 | 0 | 110.3 | Y354 Y358 P365 E366 L394 M407 | Y354-L401 HydrophobicContact CD1-CD2 4.09Å; Y354-L401 HydrophobicContact CE1-CD2 4.02Å; Y358-L401 HydrophobicContact CD1-CD1 4.08Å; Y358-L401 HydrophobicContact CD2-CD1 4.43Å; Y358-L401 HydrophobicContact CD2-CD2 3.7Å; Y358-L401 HydrophobicContact CE2-CD2 3.89Å; Y358-L401 HydrophobicContact CG-CD1 4.01Å; Y358-L401 HydrophobicContact CG-CD2 4.12Å; P365-L401 HydrophobicContact CB-CD1 3.8Å; P365-L401 HydrophobicContact CG-CD1 4.45Å; E366-L401 HydrophobicContact CB-CD1 3.93Å; L394-L401 HydrophobicContact CD1-CD2 3.65Å; L394-L401 HydrophobicContact CD1-CG 4.1Å; L401-M407 HydrophobicContact CB-SD 4.31Å; L401-M407 HydrophobicContact CD1-SD 4.46Å |
| 402 | P | 97.4 | Very high | 97 | Very high | 45 Ų | 45 | 60 Ų | 60 | 29% | 0.292 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -61 | 170.1 | 169.6 | -19 | 32 | 0 | 0 | 0 | 111.8 | Y354 E406 M407 | Y354-P402 HydrophobicContact CE1-CG 4.04Å; P402-E406 HydrophobicContact CB-CB 3.81Å; P402-M407 HydrophobicContact CB-CG 4.24Å; P402-M407 HydrophobicContact CG-CG 4.44Å; P402-M407 WeakPolarHBondContact O-CE 3.31Å |
| 403 | S | 97.5 | Very high | 96.8 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 40% | 0.399 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 156 | 172.5 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | Q405 E406 M407 | S403-Q405 PolarHBondContact O-N 3.24Å; S403-E406 WeakPolarHBondContact CB-OE2 3.32Å; S403-E406 PolarHBondContact N-OE2 2.72Å; S403-E406 PolarHBondContact O-N 3.07Å; S403-E406 VanDerWaalsContact O-N 3.07Å; S403-E406 VanDerWaalsContact OG-CD 3.29Å; S403-E406 VanDerWaalsContact OG-CG 3.24Å; S403-E406 WeakPolarHBondContact OG-CG 3.46Å; S403-E406 PolarHBondContact OG-N 2.86Å; S403-E406 PolarHBondContact OG-OE2 2.65Å; S403-M407 PolarHBondContact O-N 3.22Å |
| 404 | R | 97.2 | Very high | 96.5 | Very high | 140 Ų | 140 | 67.1 Ų | 67.1 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -51.2 | -43.9 | 176 | 174.7 | 172.9 | 174.5 | 178.5 | 1 | 112.6 | S360 M407 E408 | S360-R404 WeakPolarHBondContact O-CD 3.25Å; S360-R404 WeakPolarHBondContact O-CG 3.46Å; R404-M407 PolarHBondContact O-N 3.05Å; R404-E408 HydrophobicContact CG-CG 4.37Å; R404-E408 WeakPolarHBondContact CG-OE1 3.36Å; R404-E408 IonicContact CZ-OE1 2.76Å; R404-E408 IonicContact NE-OE1 3.7Å; R404-E408 PolarHBondContact NE-OE1 3.07Å; R404-E408 IonicContact NH2-OE1 3.94Å; R404-E408 PolarHBondContact NH2-OE1 3.26Å; R404-E408 WeakPolarHBondContact O-CB 3.49Å; R404-E408 WeakPolarHBondContact O-CG 3.31Å; R404-E408 PolarHBondContact O-N 2.99Å |
| 405 | Q | 97.7 | Very high | 96.2 | Very high | 137 Ų | 137 | 67.4 Ų | 67.4 | 64% | 0.64 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 179.1 | -174.7 | 179.7 | 10.4 | 0 | 0 | 111.8 | S403 E408 M409 | S403-Q405 PolarHBondContact O-N 3.24Å; Q405-E408 PolarHBondContact O-N 3.15Å; Q405-M409 HydrophobicContact CG-SD 4.11Å; Q405-M409 WeakPolarHBondContact O-CB 3.21Å; Q405-M409 VanDerWaalsContact O-CG 3.23Å; Q405-M409 WeakPolarHBondContact O-CG 3.39Å; Q405-M409 PolarHBondContact O-N 2.84Å |
| 406 | E | 97.9 | Very high | 95.9 | Very high | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.6 | -70.8 | 167 | 125.8 | 0 | 0 | 111.7 | P402 S403 M409 D410 | P402-E406 HydrophobicContact CB-CB 3.81Å; S403-E406 WeakPolarHBondContact CB-OE2 3.32Å; S403-E406 PolarHBondContact N-OE2 2.72Å; S403-E406 PolarHBondContact O-N 3.07Å; S403-E406 VanDerWaalsContact O-N 3.07Å; S403-E406 VanDerWaalsContact OG-CD 3.29Å; S403-E406 VanDerWaalsContact OG-CG 3.24Å; S403-E406 WeakPolarHBondContact OG-CG 3.46Å; S403-E406 PolarHBondContact OG-N 2.86Å; S403-E406 PolarHBondContact OG-OE2 2.65Å; E406-M409 PolarHBondContact O-N 2.76Å; E406-D410 WeakPolarHBondContact O-CB 3.31Å; E406-D410 PolarHBondContact O-N 2.8Å |
| 407 | M | 98 | Very high | 95.6 | Very high | 7 Ų | 7 | 73.6 Ų | 73.6 | 3% | 0.034 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.3 | -72.8 | -166.2 | -73.6 | 0 | 0 | 111.9 | Y354 P365 L401 P402 S403 R404 D410 C411 | Y354-M407 HydrophobicContact CD1-CG 3.79Å; Y354-M407 HydrophobicContact CD1-SD 3.77Å; Y354-M407 HydrophobicContact CD2-CB 4.2Å; Y354-M407 HydrophobicContact CD2-CG 4.01Å; Y354-M407 HydrophobicContact CE1-CG 4.32Å; Y354-M407 HydrophobicContact CG-CB 4Å; Y354-M407 HydrophobicContact CG-CG 3.6Å; Y354-M407 HydrophobicContact CG-SD 3.97Å; P365-M407 HydrophobicContact CG-CE 4.36Å; L401-M407 HydrophobicContact CB-SD 4.31Å; L401-M407 HydrophobicContact CD1-SD 4.46Å; P402-M407 HydrophobicContact CB-CG 4.24Å; P402-M407 HydrophobicContact CG-CG 4.44Å; P402-M407 WeakPolarHBondContact O-CE 3.31Å; S403-M407 PolarHBondContact O-N 3.22Å; R404-M407 PolarHBondContact O-N 3.05Å; M407-D410 PolarHBondContact O-N 2.76Å; M407-C411 PolarHBondContact O-N 2.8Å; M407-C411 PolarHBondContact O-SG 3.01Å |
| 408 | E | 96.5 | Very high | 95.4 | Very high | 68 Ų | 68 | 71.9 Ų | 71.9 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 179 | -72.4 | 173.9 | 175.1 | 0 | 0 | 112.4 | S360 R404 Q405 S412 | S360-E408 WeakPolarHBondContact OG-CG 3.37Å; R404-E408 HydrophobicContact CG-CG 4.37Å; R404-E408 WeakPolarHBondContact CG-OE1 3.36Å; R404-E408 IonicContact CZ-OE1 2.76Å; R404-E408 IonicContact NE-OE1 3.7Å; R404-E408 PolarHBondContact NE-OE1 3.07Å; R404-E408 IonicContact NH2-OE1 3.94Å; R404-E408 PolarHBondContact NH2-OE1 3.26Å; R404-E408 WeakPolarHBondContact O-CB 3.49Å; R404-E408 WeakPolarHBondContact O-CG 3.31Å; R404-E408 PolarHBondContact O-N 2.99Å; Q405-E408 PolarHBondContact O-N 3.15Å; E408-S412 WeakPolarHBondContact O-CB 3.41Å; E408-S412 PolarHBondContact O-N 2.98Å; E408-S412 PolarHBondContact O-OG 3.27Å |
| 409 | M | 97 | Very high | 95 | Very high | 120 Ų | 120 | 71.8 Ų | 71.8 | 59% | 0.591 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 173.4 | -75.5 | 175.9 | 62 | 0 | 0 | 111.7 | Q405 E406 S412 R413 | Q405-M409 HydrophobicContact CG-SD 4.11Å; Q405-M409 WeakPolarHBondContact O-CB 3.21Å; Q405-M409 VanDerWaalsContact O-CG 3.23Å; Q405-M409 WeakPolarHBondContact O-CG 3.39Å; Q405-M409 PolarHBondContact O-N 2.84Å; E406-M409 PolarHBondContact O-N 2.76Å; M409-S412 PolarHBondContact O-N 2.98Å; M409-R413 WeakPolarHBondContact O-CB 3.48Å; M409-R413 PolarHBondContact O-N 2.82Å |
| 410 | D | 95.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 79.4 Ų | 79.4 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 177.1 | -176.6 | 73.3 | 0 | 0 | 0 | 112.4 | Y354 E406 M407 S412 R413 T414 | Y354-D410 HydrophobicContact CD2-CB 3.97Å; Y354-D410 WeakPolarHBondContact CD2-OD2 3.27Å; Y354-D410 HydrophobicContact CE2-CB 3.98Å; Y354-D410 WeakPolarHBondContact CE2-OD2 3.15Å; E406-D410 WeakPolarHBondContact O-CB 3.31Å; E406-D410 PolarHBondContact O-N 2.8Å; M407-D410 PolarHBondContact O-N 2.76Å; D410-S412 VanDerWaalsContact C-N 3.34Å; D410-S412 PolarHBondContact O-N 3.04Å; D410-R413 PolarHBondContact O-N 3.03Å; D410-R413 IonicContact OD1-CZ 3.75Å; D410-R413 IonicContact OD1-NE 3.41Å; D410-R413 IonicContact OD1-NH2 3.54Å; D410-R413 PolarHBondContact OD1-NH2 3.4Å; D410-T414 WeakPolarHBondContact O-CB 3.33Å; D410-T414 PolarHBondContact O-N 3.33Å; D410-T414 PolarHBondContact O-OG1 3.37Å |
| 411 | C | 93.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 76.1 Ų | 76.1 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.5 | -50.7 | 172.7 | -73.7 | 0 | 0 | 0 | 0 | 111.2 | L353 Y354 M407 R413 T414 Q415 | L353-C411 PolarHBondContact O-SG 3.23Å; Y354-C411 VanDerWaalsContact CA-SG 3.52Å; Y354-C411 PolarHBondContact N-SG 2.91Å; M407-C411 PolarHBondContact O-N 2.8Å; M407-C411 PolarHBondContact O-SG 3.01Å; C411-R413 VanDerWaalsContact C-N 3.35Å; C411-R413 PolarHBondContact O-N 2.69Å; C411-T414 PolarHBondContact O-N 3.46Å; C411-Q415 WeakPolarHBondContact O-CG 3.38Å; C411-Q415 PolarHBondContact O-N 2.94Å |
| 412 | S | 93.8 | Very high | 94.2 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 47% | 0.469 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | -179 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | E408 M409 D410 E416 | E408-S412 WeakPolarHBondContact O-CB 3.41Å; E408-S412 PolarHBondContact O-N 2.98Å; E408-S412 PolarHBondContact O-OG 3.27Å; M409-S412 PolarHBondContact O-N 2.98Å; D410-S412 VanDerWaalsContact C-N 3.34Å; D410-S412 PolarHBondContact O-N 3.04Å; S412-E416 WeakPolarHBondContact O-CB 3.05Å; S412-E416 PolarHBondContact O-N 2.97Å; S412-E416 VanDerWaalsContact O-N 3.07Å |
| 413 | R | 94.8 | Very high | 93.7 | Very high | 138 Ų | 138 | 74.6 Ų | 74.6 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 174.9 | 177.5 | -177.2 | 65.1 | 158.3 | 0.3 | 111.5 | M409 D410 C411 Q415 E416 E417 | M409-R413 WeakPolarHBondContact O-CB 3.48Å; M409-R413 PolarHBondContact O-N 2.82Å; D410-R413 PolarHBondContact O-N 3.03Å; D410-R413 IonicContact OD1-CZ 3.75Å; D410-R413 IonicContact OD1-NE 3.41Å; D410-R413 IonicContact OD1-NH2 3.54Å; D410-R413 PolarHBondContact OD1-NH2 3.4Å; C411-R413 VanDerWaalsContact C-N 3.35Å; C411-R413 PolarHBondContact O-N 2.69Å; R413-Q415 VanDerWaalsContact C-N 3.32Å; R413-Q415 PolarHBondContact O-N 2.79Å; R413-E416 PolarHBondContact O-N 2.91Å; R413-E416 VanDerWaalsContact O-N 3.16Å; R413-E417 WeakPolarHBondContact O-CG 3.43Å; R413-E417 PolarHBondContact O-N 3.33Å |
| 414 | T | 92.8 | Very high | 93 | Very high | 31 Ų | 31 | 82 Ų | 82 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | -178.2 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | Y356 D410 C411 E416 E417 I418 | Y356-T414 HydrophobicContact CE2-CG2 4.06Å; Y356-T414 VanDerWaalsContact OH-CG2 3.31Å; Y356-T414 WeakPolarHBondContact OH-CG2 3.46Å; D410-T414 WeakPolarHBondContact O-CB 3.33Å; D410-T414 PolarHBondContact O-N 3.33Å; D410-T414 PolarHBondContact O-OG1 3.37Å; C411-T414 PolarHBondContact O-N 3.46Å; T414-E416 VanDerWaalsContact C-N 3.35Å; T414-E416 PolarHBondContact O-N 3.47Å; T414-E417 PolarHBondContact O-N 2.93Å; T414-I418 WeakPolarHBondContact O-CG1 3.42Å; T414-I418 PolarHBondContact O-N 3.43Å |
| 415 | Q | 90 | Very high | 92.4 | Very high | 17 Ų | 17 | 76.6 Ų | 76.6 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 176.1 | -71.6 | -165 | -1.3 | 0 | 0 | 112.5 | N350 I351 C411 R413 I418 R419 | N350-Q415 PolarHBondContact ND2-NE2 2.79Å; N350-Q415 PolarHBondContact OD1-NE2 3.27Å; I351-Q415 PolarHBondContact O-NE2 2.82Å; C411-Q415 WeakPolarHBondContact O-CG 3.38Å; C411-Q415 PolarHBondContact O-N 2.94Å; R413-Q415 VanDerWaalsContact C-N 3.32Å; R413-Q415 PolarHBondContact O-N 2.79Å; Q415-I418 PolarHBondContact O-N 3.15Å; Q415-R419 WeakPolarHBondContact O-CB 3.45Å; Q415-R419 VanDerWaalsContact O-CG 3.24Å; Q415-R419 WeakPolarHBondContact O-CG 3.45Å; Q415-R419 PolarHBondContact O-N 2.97Å |
| 416 | E | 92 | Very high | 91.7 | Very high | 72 Ų | 72 | 72.2 Ų | 72.2 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 177.1 | -179.2 | 57.8 | -164.1 | 0 | 0 | 111.9 | S412 R413 T414 I418 R419 R420 | S412-E416 WeakPolarHBondContact O-CB 3.05Å; S412-E416 PolarHBondContact O-N 2.97Å; S412-E416 VanDerWaalsContact O-N 3.07Å; R413-E416 PolarHBondContact O-N 2.91Å; R413-E416 VanDerWaalsContact O-N 3.16Å; T414-E416 VanDerWaalsContact C-N 3.35Å; T414-E416 PolarHBondContact O-N 3.47Å; E416-I418 VanDerWaalsContact C-N 3.33Å; E416-I418 PolarHBondContact O-N 3.17Å; E416-R419 PolarHBondContact O-N 2.83Å; E416-R420 WeakPolarHBondContact O-CG 3.42Å; E416-R420 PolarHBondContact O-N 2.99Å; E416-R420 IonicContact OE1-CZ 3.18Å; E416-R420 IonicContact OE1-NE 3.55Å; E416-R420 PolarHBondContact OE1-NE 3.07Å; E416-R420 IonicContact OE1-NH2 3.28Å; E416-R420 PolarHBondContact OE1-NH2 3.04Å |
| 417 | E | 91.9 | Very high | 90.9 | Very high | 111 Ų | 111 | 70.7 Ų | 70.7 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 174.4 | -72.8 | 177.7 | -176.4 | 0 | 0 | 111.7 | R413 T414 R420 R421 | R413-E417 WeakPolarHBondContact O-CG 3.43Å; R413-E417 PolarHBondContact O-N 3.33Å; T414-E417 PolarHBondContact O-N 2.93Å; E417-R420 PolarHBondContact O-N 2.95Å; E417-R421 WeakPolarHBondContact O-CB 3.45Å; E417-R421 PolarHBondContact O-N 2.82Å |
| 418 | I | 90.5 | Very high | 90.3 | Very high | 20 Ų | 20 | 71.1 Ų | 71.1 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 175 | -72.7 | 177.7 | 0 | 0 | 0 | 111.3 | Y356 T414 Q415 E416 R420 R421 Y422 H428 Q431 | Y356-I418 WeakPolarHBondContact OH-CD1 3.45Å; T414-I418 WeakPolarHBondContact O-CG1 3.42Å; T414-I418 PolarHBondContact O-N 3.43Å; Q415-I418 PolarHBondContact O-N 3.15Å; E416-I418 VanDerWaalsContact C-N 3.33Å; E416-I418 PolarHBondContact O-N 3.17Å; I418-R420 PolarHBondContact O-N 3.25Å; I418-R421 PolarHBondContact O-N 3.07Å; I418-Y422 HydrophobicContact CB-CD2 4.34Å; I418-Y422 HydrophobicContact CG1-CD2 4.33Å; I418-Y422 HydrophobicContact CG1-CE2 4.48Å; I418-Y422 HydrophobicContact CG2-CD2 4Å; I418-Y422 PolarHBondContact O-N 3.35Å; I418-H428 VanDerWaalsContact CG2-O 3.25Å; I418-H428 WeakPolarHBondContact CG2-O 3.39Å; I418-Q431 HydrophobicContact CD1-CB 4.27Å; I418-Q431 WeakPolarHBondContact CD1-O 3.43Å |
| 419 | R | 89.5 | Confident | 89.9 | Confident | 134 Ų | 134 | 69.1 Ų | 69.1 | 51% | 0.506 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -31.4 | 179.7 | -75.6 | 172 | -173.2 | 175.2 | 4.9 | 112.7 | Q415 E416 | Q415-R419 WeakPolarHBondContact O-CB 3.45Å; Q415-R419 VanDerWaalsContact O-CG 3.24Å; Q415-R419 WeakPolarHBondContact O-CG 3.45Å; Q415-R419 PolarHBondContact O-N 2.97Å; E416-R419 PolarHBondContact O-N 2.83Å |
| 420 | R | 91 | Very high | 89.7 | Confident | 187 Ų | 187 | 63.6 Ų | 63.6 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -76.7 | -41.1 | 176.2 | -72.7 | 176.3 | -174 | -173.7 | 4.2 | 112.7 | E416 E417 I418 | E416-R420 WeakPolarHBondContact O-CG 3.42Å; E416-R420 PolarHBondContact O-N 2.99Å; E416-R420 IonicContact OE1-CZ 3.18Å; E416-R420 IonicContact OE1-NE 3.55Å; E416-R420 PolarHBondContact OE1-NE 3.07Å; E416-R420 IonicContact OE1-NH2 3.28Å; E416-R420 PolarHBondContact OE1-NH2 3.04Å; E417-R420 PolarHBondContact O-N 2.95Å; I418-R420 PolarHBondContact O-N 3.25Å |
| 421 | R | 91.3 | Very high | 89.6 | Confident | 78 Ų | 78 | 63 Ų | 63 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -83.9 | -46.6 | -174.8 | 178.6 | 172.6 | 171.2 | -175.8 | -10.6 | 112.9 | F279 Q280 E417 I418 D433 | F279-R421 PolarHBondContact O-NE 3.36Å; Q280-R421 WeakPolarHBondContact CA-O 3.34Å; Q280-R421 WeakPolarHBondContact CB-O 3.46Å; Q280-R421 WeakPolarHBondContact CG-O 3.48Å; E417-R421 WeakPolarHBondContact O-CB 3.45Å; E417-R421 PolarHBondContact O-N 2.82Å; I418-R421 PolarHBondContact O-N 3.07Å; R421-D433 IonicContact CZ-OD1 3.48Å; R421-D433 IonicContact CZ-OD2 3.77Å; R421-D433 IonicContact NH1-OD1 2.64Å; R421-D433 PolarHBondContact NH1-OD1 3.05Å; R421-D433 IonicContact NH1-OD2 3.49Å; R421-D433 PolarHBondContact NH1-OD2 3.18Å; R421-D433 IonicContact NH2-OD1 3.46Å; R421-D433 PolarHBondContact NH2-OD1 3.07Å; R421-D433 IonicContact NH2-OD2 2.67Å |
| 422 | Y | 91.2 | Very high | 89.7 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -97.8 | 148.2 | -168.3 | -66.8 | -86.1 | 0 | 0 | 0 | 113.1 | Q280 I418 R424 Q431 | Q280-Y422 CarbonylContact O-C 3.51Å; Q280-Y422 WeakPolarHBondContact O-CA 3.29Å; I418-Y422 HydrophobicContact CB-CD2 4.34Å; I418-Y422 HydrophobicContact CG1-CD2 4.33Å; I418-Y422 HydrophobicContact CG1-CE2 4.48Å; I418-Y422 HydrophobicContact CG2-CD2 4Å; I418-Y422 PolarHBondContact O-N 3.35Å; Y422-R424 PolarHBondContact O-N 3.18Å; Y422-Q431 HydrophobicContact CD1-CG 3.96Å; Y422-Q431 HydrophobicContact CD2-CB 4.02Å; Y422-Q431 HydrophobicContact CD2-CG 4.1Å; Y422-Q431 HydrophobicContact CE1-CB 4.14Å; Y422-Q431 HydrophobicContact CE1-CG 3.9Å; Y422-Q431 HydrophobicContact CE2-CB 3.58Å; Y422-Q431 HydrophobicContact CE2-CG 4.04Å; Y422-Q431 HydrophobicContact CG-CB 4.47Å; Y422-Q431 HydrophobicContact CG-CG 4.06Å |
| 423 | V | 86.7 | Confident | 89.7 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | trans | -57.9 | 129.8 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | Y276 Q280 S425 H428 | Y276-V423 HydrophobicContact CD1-CG2 3.31Å; Y276-V423 HydrophobicContact CD2-CG2 4.2Å; Y276-V423 HydrophobicContact CE1-CG2 3.82Å; Y276-V423 HydrophobicContact CG-CG2 3.53Å; Q280-V423 PolarHBondContact O-N 2.99Å; V423-S425 PolarHBondContact O-N 3.14Å; V423-H428 PolarHBondContact O-ND1 3.06Å | ||
| 424 | R | 84.4 | Confident | 89.8 | Confident | 211 Ų | 211 | 55 Ų | 55 | 80% | 0.796 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -60.1 | 107.9 | 177.3 | -66.2 | -172.9 | 179.5 | -174.1 | 0.3 | 111.1 | Y422 | Y422-R424 PolarHBondContact O-N 3.18Š|
| 425 | S | 84.3 | Confident | 90 | Very high | 28 Ų | 28 | 53.7 Ų | 53.7 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -161.7 | 147.2 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | V423 R427 H428 | V423-S425 PolarHBondContact O-N 3.14Å; S425-R427 PolarHBondContact O-N 2.81Å; S425-R427 PolarHBondContact OG-N 2.77Å; S425-H428 PolarHBondContact O-N 3.49Å |
| 426 | P | 82.3 | Confident | 90.3 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -57.3 | -18.3 | 172.7 | -26.3 | 35.8 | 0 | 0 | 0 | 114.4 | N348 N349 H428 T429 | N348-P426 VanDerWaalsContact OD1-CG 3.26Å; N348-P426 WeakPolarHBondContact OD1-CG 3.41Å; N349-P426 PolarHBondContact ND2-O 3.01Å; P426-H428 VanDerWaalsContact C-N 3.32Å; P426-T429 PolarHBondContact O-OG1 3.4Å |
| 427 | R | 82.1 | Confident | 90.6 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -70.2 | -24.7 | 174.3 | -179.7 | 178.4 | 173.6 | -172.5 | -2.8 | 113.5 | F194 T284 Q375 S425 Q431 | F194-R427 PolarHBondContact O-NH1 3.24Å; F194-R427 VanDerWaalsContact O-NH1 3.15Å; T284-R427 PolarHBondContact OG1-NH2 2.98Å; Q375-R427 PolarHBondContact OE1-O 3.35Å; S425-R427 PolarHBondContact O-N 2.81Å; S425-R427 PolarHBondContact OG-N 2.77Å; R427-Q431 PolarHBondContact O-NE2 2.8Å |
| 428 | H | 84.6 | Confident | 90.9 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -109 | 23.8 | -168.8 | -53 | 130.5 | 0 | 0 | 0 | 113.7 | I418 V423 S425 P426 Q431 | I418-H428 VanDerWaalsContact CG2-O 3.25Å; I418-H428 WeakPolarHBondContact CG2-O 3.39Å; V423-H428 PolarHBondContact O-ND1 3.06Å; S425-H428 PolarHBondContact O-N 3.49Å; P426-H428 VanDerWaalsContact C-N 3.32Å; H428-Q431 HydrophobicContact CB-CG 4.02Å; H428-Q431 PolarHBondContact CD2-NE2 3.31Å |
| 429 | T | 88.6 | Confident | 91.2 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 15% | 0.153 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -20.5 | -174.6 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | N349 P426 | N349-T429 HydrophobicContact CB-CG2 4.22Å; N349-T429 WeakPolarHBondContact O-CB 3.44Å; N349-T429 PolarHBondContact O-OG1 3.37Å; P426-T429 PolarHBondContact O-OG1 3.4Å |
| 430 | V | 92.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 38 | -176.2 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | I334 I351 Y356 V374 Q375 | I334-V430 HydrophobicContact CD1-CG1 4.25Å; I351-V430 HydrophobicContact CG2-CG1 3.87Å; Y356-V430 HydrophobicContact CD1-CB 4.43Å; Y356-V430 HydrophobicContact CD1-CG1 4.22Å; Y356-V430 HydrophobicContact CE1-CB 4.29Å; Y356-V430 HydrophobicContact CE1-CG1 4.18Å; V374-V430 WeakPolarHBondContact CA-O 3.43Å; Q375-V430 HydrophobicContact CB-CG2 4.29Å; Q375-V430 PolarHBondContact N-O 2.92Å |
| 431 | Q | 94 | Very high | 92 | Very high | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 138.2 | -178 | -64.2 | -66.4 | -41.5 | 0 | 0 | 112.2 | H282 Q375 I418 Y422 R427 H428 | H282-Q431 PolarHBondContact ND1-OE1 3.07Å; Q375-Q431 WeakPolarHBondContact O-CA 3.36Å; Q375-Q431 PolarHBondContact O-OE1 2.9Å; I418-Q431 HydrophobicContact CD1-CB 4.27Å; I418-Q431 WeakPolarHBondContact CD1-O 3.43Å; Y422-Q431 HydrophobicContact CD1-CG 3.96Å; Y422-Q431 HydrophobicContact CD2-CB 4.02Å; Y422-Q431 HydrophobicContact CD2-CG 4.1Å; Y422-Q431 HydrophobicContact CE1-CB 4.14Å; Y422-Q431 HydrophobicContact CE1-CG 3.9Å; Y422-Q431 HydrophobicContact CE2-CB 3.58Å; Y422-Q431 HydrophobicContact CE2-CG 4.04Å; Y422-Q431 HydrophobicContact CG-CB 4.47Å; Y422-Q431 HydrophobicContact CG-CG 4.06Å; R427-Q431 PolarHBondContact O-NE2 2.8Å; H428-Q431 HydrophobicContact CB-CG 4.02Å; H428-Q431 PolarHBondContact CD2-NE2 3.31Å |
| 432 | V | 94.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.5 | 170.7 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | Y356 V374 Q375 P376 W377 I383 Y437 | Y356-V432 HydrophobicContact CD2-CG1 3.74Å; Y356-V432 HydrophobicContact CE2-CG1 3.51Å; V374-V432 HydrophobicContact CB-CG1 4.23Å; V374-V432 HydrophobicContact CB-CG2 3.98Å; V374-V432 HydrophobicContact CG1-CG1 4.12Å; V374-V432 HydrophobicContact CG2-CG2 3.93Å; Q375-V432 PolarHBondContact O-N 2.96Å; P376-V432 CarbonylContact C-O 3.51Å; P376-V432 WeakPolarHBondContact CA-O 3.5Å; P376-V432 HydrophobicContact CB-CG2 3.76Å; W377-V432 PolarHBondContact N-O 3.34Å; I383-V432 HydrophobicContact CD1-CG2 4.22Å; V432-Y437 HydrophobicContact CB-CD1 4.17Å; V432-Y437 HydrophobicContact CB-CD2 4.47Å; V432-Y437 HydrophobicContact CB-CG 3.98Å; V432-Y437 HydrophobicContact CG1-CD1 4.23Å; V432-Y437 HydrophobicContact CG1-CD2 4.08Å; V432-Y437 HydrophobicContact CG1-CE1 4.44Å; V432-Y437 HydrophobicContact CG1-CE2 4.32Å; V432-Y437 HydrophobicContact CG1-CG 4.03Å; V432-Y437 HydrophobicContact CG2-CD1 3.89Å; V432-Y437 HydrophobicContact CG2-CE1 4.43Å; V432-Y437 HydrophobicContact CG2-CG 4.21Å |
| 433 | D | 94.6 | Very high | 92.6 | Very high | 33 Ų | 33 | 38 Ų | 38 | 18% | 0.176 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 131.1 | 164.7 | -69.8 | -41.8 | 0 | 0 | 0 | 108.9 | R421 I435 P436 Y437 | R421-D433 IonicContact CZ-OD1 3.48Å; R421-D433 IonicContact CZ-OD2 3.77Å; R421-D433 IonicContact NH1-OD1 2.64Å; R421-D433 PolarHBondContact NH1-OD1 3.05Å; R421-D433 IonicContact NH1-OD2 3.49Å; R421-D433 PolarHBondContact NH1-OD2 3.18Å; R421-D433 IonicContact NH2-OD1 3.46Å; R421-D433 PolarHBondContact NH2-OD1 3.07Å; R421-D433 IonicContact NH2-OD2 2.67Å; D433-I435 PolarHBondContact O-N 3.42Å; D433-P436 HydrophobicContact CB-CG 3.88Å; D433-P436 WeakPolarHBondContact O-CD 3.39Å; D433-Y437 VanDerWaalsContact O-CB 3.27Å; D433-Y437 WeakPolarHBondContact O-CB 3.43Å; D433-Y437 PolarHBondContact O-N 3.02Å; D433-Y437 VanDerWaalsContact O-N 3.15Å |
| 434 | Y | 96.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.6 | -51.4 | -172.7 | 178.6 | -87.6 | 0 | 0 | 0 | 113.4 | M67 L238 W377 S379 P382 I383 M438 C470 | M67-Y434 HydrophobicContact CE-CE1 4.42Å; L238-Y434 HydrophobicContact CD1-CG 4.44Å; W377-Y434 VanDerWaalsContact O-CB 3.23Å; W377-Y434 WeakPolarHBondContact O-CB 3.43Å; S379-Y434 WeakPolarHBondContact O-CD2 3.42Å; S379-Y434 WeakPolarHBondContact O-CE2 3.46Å; P382-Y434 HydrophobicContact CB-CE2 4.15Å; P382-Y434 WeakPolarHBondContact CB-OH 3.44Å; P382-Y434 HydrophobicContact CG-CE2 4.12Å; I383-Y434 HydrophobicContact CD1-CD2 3.82Å; I383-Y434 HydrophobicContact CD1-CE2 4.41Å; I383-Y434 HydrophobicContact CG1-CD2 4.08Å; I383-Y434 HydrophobicContact CG1-CE2 4.21Å; Y434-M438 HydrophobicContact CD1-CG 4.33Å; Y434-M438 HydrophobicContact CD2-CG 4.36Å; Y434-M438 HydrophobicContact CE1-CG 4.11Å; Y434-M438 HydrophobicContact CE2-CG 4.16Å; Y434-M438 HydrophobicContact CG-CG 4.44Å; Y434-M438 VanDerWaalsContact O-CB 3.25Å; Y434-M438 WeakPolarHBondContact O-CB 3.43Å; Y434-M438 WeakPolarHBondContact O-CG 2.99Å; Y434-M438 PolarHBondContact O-N 3.23Å; Y434-C470 WeakPolarHBondContact CE1-O 3.15Å |
| 435 | I | 97.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.3 | -51.8 | -174.2 | -61.2 | 170.4 | 0 | 0 | 0 | 112.2 | N239 F243 D433 Y437 M438 D439 C470 | N239-I435 WeakPolarHBondContact O-CD1 3.48Å; F243-I435 HydrophobicContact CB-CD1 4.05Å; D433-I435 PolarHBondContact O-N 3.42Å; I435-Y437 VanDerWaalsContact C-N 3.3Å; I435-Y437 PolarHBondContact O-N 3.41Å; I435-M438 PolarHBondContact O-N 2.98Å; I435-D439 VanDerWaalsContact O-CB 3.29Å; I435-D439 WeakPolarHBondContact O-CB 3.36Å; I435-D439 PolarHBondContact O-N 3.25Å; I435-C470 HydrophobicContact CD1-CB 3.79Å; I435-C470 HydrophobicContact CG1-CB 3.8Å |
| 436 | P | 95.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 30.1 Ų | 30.1 | 26% | 0.26 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -56.5 | -43.5 | 177.9 | -30.2 | 39.3 | 0 | 0 | 0 | 113.4 | F243 D433 D439 Q440 | F243-P436 HydrophobicContact CD2-CG 3.95Å; F243-P436 HydrophobicContact CE1-CG 3.84Å; F243-P436 HydrophobicContact CE2-CG 3.18Å; F243-P436 HydrophobicContact CZ-CB 4.33Å; F243-P436 HydrophobicContact CZ-CG 3.14Å; D433-P436 HydrophobicContact CB-CG 3.88Å; D433-P436 WeakPolarHBondContact O-CD 3.39Å; P436-D439 PolarHBondContact O-N 3.16Å; P436-Q440 VanDerWaalsContact O-CB 3.29Å; P436-Q440 WeakPolarHBondContact O-CB 3.42Å; P436-Q440 PolarHBondContact O-N 2.83Å |
| 437 | Y | 97.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 28 Ų | 28 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.6 | -44.4 | -176.2 | -171.9 | -120.6 | 0 | 0 | 0 | 111.7 | N355 Y356 V374 I383 Q387 V432 D433 I435 D439 Q440 L441 | N355-Y437 PolarHBondContact O-OH 2.95Å; Y356-Y437 HydrophobicContact CD2-CE2 4.17Å; V374-Y437 HydrophobicContact CG1-CE1 4.34Å; V374-Y437 HydrophobicContact CG2-CE1 4.21Å; I383-Y437 HydrophobicContact CD1-CD1 4.25Å; I383-Y437 HydrophobicContact CG1-CD1 4.28Å; I383-Y437 HydrophobicContact CG2-CD1 3.8Å; I383-Y437 HydrophobicContact CG2-CE1 3.44Å; I383-Y437 VanDerWaalsContact CG2-CE1 3.44Å; Q387-Y437 PolarHBondContact NE2-OH 3.1Å; V432-Y437 HydrophobicContact CB-CD1 4.17Å; V432-Y437 HydrophobicContact CB-CD2 4.47Å; V432-Y437 HydrophobicContact CB-CG 3.98Å; V432-Y437 HydrophobicContact CG1-CD1 4.23Å; V432-Y437 HydrophobicContact CG1-CD2 4.08Å; V432-Y437 HydrophobicContact CG1-CE1 4.44Å; V432-Y437 HydrophobicContact CG1-CE2 4.32Å; V432-Y437 HydrophobicContact CG1-CG 4.03Å; V432-Y437 HydrophobicContact CG2-CD1 3.89Å; V432-Y437 HydrophobicContact CG2-CE1 4.43Å; V432-Y437 HydrophobicContact CG2-CG 4.21Å; D433-Y437 VanDerWaalsContact O-CB 3.27Å; D433-Y437 WeakPolarHBondContact O-CB 3.43Å; D433-Y437 PolarHBondContact O-N 3.02Å; D433-Y437 VanDerWaalsContact O-N 3.15Å; I435-Y437 VanDerWaalsContact C-N 3.3Å; I435-Y437 PolarHBondContact O-N 3.41Å; Y437-D439 VanDerWaalsContact C-N 3.33Å; Y437-D439 PolarHBondContact O-N 3.26Å; Y437-Q440 PolarHBondContact O-N 2.76Å; Y437-L441 HydrophobicContact CD1-CD1 4.22Å; Y437-L441 HydrophobicContact CE1-CD1 3.75Å; Y437-L441 HydrophobicContact CE2-CD1 4.27Å; Y437-L441 HydrophobicContact CE2-CD2 4.44Å; Y437-L441 HydrophobicContact CE2-CG 4.28Å; Y437-L441 WeakPolarHBondContact O-CG 3.26Å; Y437-L441 PolarHBondContact O-N 2.92Å |
| 438 | M | 98.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 173.1 | -70.9 | -70 | -70.4 | 0 | 0 | 112.1 | P382 I383 M386 Y434 I435 S442 Y475 | P382-M438 HydrophobicContact CB-CE 4.21Å; I383-M438 HydrophobicContact CB-SD 4.24Å; I383-M438 HydrophobicContact CG1-CG 3.98Å; I383-M438 HydrophobicContact CG1-SD 3.6Å; I383-M438 VanDerWaalsContact CG1-SD 3.6Å; M386-M438 HydrophobicContact CB-CE 3.87Å; M386-M438 HydrophobicContact CB-SD 3.72Å; M386-M438 HydrophobicContact CE-CE 4.08Å; M386-M438 HydrophobicContact CG-CE 4.31Å; M386-M438 HydrophobicContact CG-SD 4.15Å; Y434-M438 HydrophobicContact CD1-CG 4.33Å; Y434-M438 HydrophobicContact CD2-CG 4.36Å; Y434-M438 HydrophobicContact CE1-CG 4.11Å; Y434-M438 HydrophobicContact CE2-CG 4.16Å; Y434-M438 HydrophobicContact CG-CG 4.44Å; Y434-M438 VanDerWaalsContact O-CB 3.25Å; Y434-M438 WeakPolarHBondContact O-CB 3.43Å; Y434-M438 WeakPolarHBondContact O-CG 2.99Å; Y434-M438 PolarHBondContact O-N 3.23Å; I435-M438 PolarHBondContact O-N 2.98Å; M438-S442 WeakPolarHBondContact O-CB 3.47Å; M438-S442 PolarHBondContact O-N 3.17Å; M438-S442 PolarHBondContact O-OG 2.59Å; M438-Y475 HydrophobicContact CB-CE1 3.88Å; M438-Y475 HydrophobicContact CB-CE2 3.97Å; M438-Y475 VanDerWaalsContact CB-CZ 3.42Å; M438-Y475 WeakPolarHBondContact CB-OH 3.35Å; M438-Y475 HydrophobicContact CE-CD2 3.55Å; M438-Y475 HydrophobicContact CE-CE2 3.6Å; M438-Y475 HydrophobicContact CE-CG 4.1Å; M438-Y475 HydrophobicContact CG-CE2 4.41Å |
| 439 | D | 98.1 | Very high | 96.5 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 175 | -87.1 | 7.5 | 0 | 0 | 0 | 112.6 | R240 I435 P436 Y437 S442 K443 K448 Y475 | R240-D439 IonicContact CZ-OD1 2.63Å; R240-D439 IonicContact CZ-OD2 2.96Å; R240-D439 VanDerWaalsContact NH1-CG 3.3Å; R240-D439 IonicContact NH1-OD1 2.88Å; R240-D439 PolarHBondContact NH1-OD1 3.49Å; R240-D439 VanDerWaalsContact NH1-OD1 3.11Å; R240-D439 IonicContact NH1-OD2 3.16Å; R240-D439 PolarHBondContact NH1-OD2 2.96Å; R240-D439 IonicContact NH2-OD1 3.02Å; R240-D439 PolarHBondContact NH2-OD1 2.82Å; R240-D439 IonicContact NH2-OD2 3.21Å; I435-D439 VanDerWaalsContact O-CB 3.29Å; I435-D439 WeakPolarHBondContact O-CB 3.36Å; I435-D439 PolarHBondContact O-N 3.25Å; P436-D439 PolarHBondContact O-N 3.16Å; Y437-D439 VanDerWaalsContact C-N 3.33Å; Y437-D439 PolarHBondContact O-N 3.26Å; D439-S442 WeakPolarHBondContact CA-OG 3.33Å; D439-S442 PolarHBondContact O-OG 2.84Å; D439-K443 VanDerWaalsContact O-CB 3.27Å; D439-K443 WeakPolarHBondContact O-CB 3.42Å; D439-K443 PolarHBondContact O-N 2.82Å; D439-K448 HydrophobicContact CB-CD 4.06Å; D439-K448 HydrophobicContact CB-CG 4.46Å; D439-K448 VanDerWaalsContact CG-CE 3.49Å; D439-K448 WeakPolarHBondContact OD2-CE 3.15Å; D439-K448 IonicContact OD2-NZ 2.92Å; D439-K448 PolarHBondContact OD2-NZ 3.09Å; D439-K448 VanDerWaalsContact OD2-NZ 3.11Å; D439-Y475 PolarHBondContact OD1-OH 3.31Å |
| 440 | Q | 97.4 | Very high | 96.7 | Very high | 78 Ų | 78 | 29.8 Ų | 29.8 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.6 | -51.3 | 177.6 | 173.5 | 171.9 | -4.8 | 0 | 0 | 110.6 | N355 P436 Y437 K443 | N355-Q440 PolarHBondContact OD1-NE2 3.01Å; P436-Q440 VanDerWaalsContact O-CB 3.29Å; P436-Q440 WeakPolarHBondContact O-CB 3.42Å; P436-Q440 PolarHBondContact O-N 2.83Å; Y437-Q440 PolarHBondContact O-N 2.76Å; Q440-K443 PolarHBondContact O-N 2.58Å |
| 441 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | 178.6 | -67.1 | -176.5 | 0 | 0 | 0 | 112.1 | N355 M357 M386 Q387 V390 Y437 K443 I444 | N355-L441 HydrophobicContact CB-CD2 4.06Å; M357-L441 HydrophobicContact SD-CD2 4.12Å; M386-L441 HydrophobicContact CB-CD1 4.5Å; M386-L441 HydrophobicContact CG-CB 3.57Å; M386-L441 HydrophobicContact CG-CD1 4.06Å; M386-L441 HydrophobicContact SD-CB 4.44Å; Q387-L441 HydrophobicContact CG-CD1 3.67Å; V390-L441 HydrophobicContact CG2-CB 3.89Å; V390-L441 HydrophobicContact CG2-CD2 4.32Å; V390-L441 WeakPolarHBondContact CG2-O 3.06Å; Y437-L441 HydrophobicContact CD1-CD1 4.22Å; Y437-L441 HydrophobicContact CE1-CD1 3.75Å; Y437-L441 HydrophobicContact CE2-CD1 4.27Å; Y437-L441 HydrophobicContact CE2-CD2 4.44Å; Y437-L441 HydrophobicContact CE2-CG 4.28Å; Y437-L441 WeakPolarHBondContact O-CG 3.26Å; Y437-L441 PolarHBondContact O-N 2.92Å; L441-K443 PolarHBondContact O-N 3.48Å; L441-I444 HydrophobicContact CD2-CD1 4.34Å; L441-I444 VanDerWaalsContact O-CB 3.31Å; L441-I444 WeakPolarHBondContact O-CB 3.46Å; L441-I444 PolarHBondContact O-N 3.02Å |
| 442 | S | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.7 | -23.7 | -179.4 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | M438 D439 I444 I445 G446 A447 K448 Y475 | M438-S442 WeakPolarHBondContact O-CB 3.47Å; M438-S442 PolarHBondContact O-N 3.17Å; M438-S442 PolarHBondContact O-OG 2.59Å; D439-S442 WeakPolarHBondContact CA-OG 3.33Å; D439-S442 PolarHBondContact O-OG 2.84Å; S442-I444 VanDerWaalsContact C-N 3.33Å; S442-I445 WeakPolarHBondContact O-CG1 3.44Å; S442-I445 PolarHBondContact O-N 2.8Å; S442-G446 PolarHBondContact O-N 3.43Å; S442-G446 VanDerWaalsContact O-N 3.09Å; S442-A447 PolarHBondContact O-N 3.28Å; S442-K448 PolarHBondContact O-N 3.37Å; S442-K448 WeakPolarHBondContact OG-CA 3.28Å; S442-K448 WeakPolarHBondContact OG-CB 3.35Å; S442-Y475 WeakPolarHBondContact OG-CD1 3.06Å; S442-Y475 WeakPolarHBondContact OG-CE1 3.18Å |
| 443 | K | 97.8 | Very high | 96.7 | Very high | 159 Ų | 159 | 45.1 Ų | 45.1 | 69% | 0.691 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.5 | -36.2 | 172.4 | -172.9 | -177.5 | 178.4 | -169.2 | 0 | 112 | D439 Q440 L441 I445 G446 | D439-K443 VanDerWaalsContact O-CB 3.27Å; D439-K443 WeakPolarHBondContact O-CB 3.42Å; D439-K443 PolarHBondContact O-N 2.82Å; Q440-K443 PolarHBondContact O-N 2.58Å; L441-K443 PolarHBondContact O-N 3.48Å; K443-I445 PolarHBondContact O-N 3.06Å; K443-G446 PolarHBondContact O-N 2.94Å; K443-G446 VanDerWaalsContact O-N 3.13Å |
| 444 | I | 97.7 | Very high | 96.7 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 28% | 0.282 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.2 | -40 | 178.4 | -59.9 | 170.9 | 0 | 0 | 0 | 110.3 | V390 L441 S442 | V390-I444 HydrophobicContact CG1-CD1 4.03Å; V390-I444 HydrophobicContact CG1-CG2 4.26Å; V390-I444 HydrophobicContact CG2-CB 4.49Å; V390-I444 HydrophobicContact CG2-CD1 4.49Å; L441-I444 HydrophobicContact CD2-CD1 4.34Å; L441-I444 VanDerWaalsContact O-CB 3.31Å; L441-I444 WeakPolarHBondContact O-CB 3.46Å; L441-I444 PolarHBondContact O-N 3.02Å; S442-I444 VanDerWaalsContact C-N 3.33Å |
| 445 | I | 97.7 | Very high | 96.5 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 6.1 | -179 | 69.3 | 172.9 | 0 | 0 | 0 | 113.5 | M386 R389 V390 H393 S442 K443 A447 P480 | M386-I445 HydrophobicContact SD-CD1 3.94Å; R389-I445 HydrophobicContact CB-CD1 3.89Å; V390-I445 HydrophobicContact CG2-CG2 4.04Å; H393-I445 HydrophobicContact CB-CG2 3.54Å; S442-I445 WeakPolarHBondContact O-CG1 3.44Å; S442-I445 PolarHBondContact O-N 2.8Å; K443-I445 PolarHBondContact O-N 3.06Å; I445-A447 VanDerWaalsContact C-N 3.27Å; I445-A447 HydrophobicContact CD1-CB 3.76Å; I445-A447 HydrophobicContact CG1-CB 3.67Å; I445-A447 PolarHBondContact O-N 3.26Å; I445-P480 WeakPolarHBondContact O-CD 3.42Å |
| 446 | G | 97.5 | Very high | 96.4 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 16.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S442 K443 Q478 | S442-G446 PolarHBondContact O-N 3.43Å; S442-G446 VanDerWaalsContact O-N 3.09Å; K443-G446 PolarHBondContact O-N 2.94Å; K443-G446 VanDerWaalsContact O-N 3.13Å; G446-Q478 PolarHBondContact O-NE2 2.96Å |
| 447 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -96.9 | 5.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S442 I445 P449 | S442-A447 PolarHBondContact O-N 3.28Å; I445-A447 VanDerWaalsContact C-N 3.27Å; I445-A447 HydrophobicContact CD1-CB 3.76Å; I445-A447 HydrophobicContact CG1-CB 3.67Å; I445-A447 PolarHBondContact O-N 3.26Å; A447-P449 WeakPolarHBondContact O-CD 3.48Å | ||
| 448 | K | 98 | Very high | 96.4 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | trans | -64.8 | 120.6 | 177.9 | 178.2 | 176.7 | 172.8 | 161 | 0 | 110.4 | D439 S442 Q478 | D439-K448 HydrophobicContact CB-CD 4.06Å; D439-K448 HydrophobicContact CB-CG 4.46Å; D439-K448 VanDerWaalsContact CG-CE 3.49Å; D439-K448 WeakPolarHBondContact OD2-CE 3.15Å; D439-K448 IonicContact OD2-NZ 2.92Å; D439-K448 PolarHBondContact OD2-NZ 3.09Å; D439-K448 VanDerWaalsContact OD2-NZ 3.11Å; S442-K448 PolarHBondContact O-N 3.37Å; S442-K448 WeakPolarHBondContact OG-CA 3.28Å; S442-K448 WeakPolarHBondContact OG-CB 3.35Å; K448-Q478 PolarHBondContact O-NE2 3.27Å | ||
| 449 | P | 96 | Very high | 96.3 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | trans | -68.5 | 136 | 178 | 29.9 | -36.2 | 0 | 0 | 0 | 110.8 | R240 A447 I465 Q474 Y475 L477 | R240-P449 VanDerWaalsContact NH2-CG 3.29Å; A447-P449 WeakPolarHBondContact O-CD 3.48Å; P449-I465 HydrophobicContact CB-CG2 4.21Å; P449-Q474 HydrophobicContact CB-CB 4.14Å; P449-Q474 HydrophobicContact CG-CB 3.93Å; P449-Y475 HydrophobicContact CG-CD1 4.32Å; P449-Y475 HydrophobicContact CG-CE1 4.19Å; P449-L477 HydrophobicContact CB-CD1 4.46Å | ||
| 450 | N | 94.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 66 Ų | 66 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | trans | -121.4 | 110.4 | 176.8 | -178.2 | 1.8 | 0 | 0 | 0 | 110.5 | W452 H453 Y454 | N450-W452 PolarHBondContact O-N 3.02Å; N450-W452 WeakPolarHBondContact OD1-CB 3.32Å; N450-W452 PolarHBondContact OD1-N 2.97Å; N450-W452 VanDerWaalsContact OD1-N 3.09Å; N450-H453 HydrophobicContact CB-CB 4Å; N450-H453 VanDerWaalsContact O-CB 3.31Å; N450-H453 WeakPolarHBondContact O-CB 3.33Å; N450-H453 PolarHBondContact O-N 3.05Å; N450-H453 VanDerWaalsContact O-N 3.11Å; N450-Y454 VanDerWaalsContact O-CD2 3.28Å; N450-Y454 WeakPolarHBondContact O-CD2 3.33Å | ||
| 451 | P | 92.7 | Very high | 96.2 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 13% | 0.13 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.3 | -32.4 | -179.4 | 24.3 | -32.4 | 0 | 0 | 0 | 112.6 | H453 Y454 A455 A462 I465 F466 | P451-H453 VanDerWaalsContact C-N 3.29Å; P451-H453 PolarHBondContact O-N 3.47Å; P451-Y454 PolarHBondContact O-N 3.47Å; P451-Y454 VanDerWaalsContact O-N 3.15Å; P451-A455 PolarHBondContact O-N 3.48Å; P451-A462 VanDerWaalsContact O-CB 3.27Å; P451-A462 WeakPolarHBondContact O-CB 3.3Å; P451-I465 HydrophobicContact CB-CB 4.17Å; P451-I465 HydrophobicContact CB-CG2 3.91Å; P451-I465 HydrophobicContact CG-CG2 4.18Å; P451-F466 HydrophobicContact CB-CB 4.26Å |
| 452 | W | 94.1 | Very high | 96.1 | Very high | 207 Ų | 207 | 63 Ų | 63 | 78% | 0.784 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.5 | -29.6 | 178.9 | -59.8 | 112.4 | 0 | 0 | 0 | 113.3 | N450 Y454 A455 | N450-W452 PolarHBondContact O-N 3.02Å; N450-W452 WeakPolarHBondContact OD1-CB 3.32Å; N450-W452 PolarHBondContact OD1-N 2.97Å; N450-W452 VanDerWaalsContact OD1-N 3.09Å; W452-Y454 PolarHBondContact O-N 3.12Å; W452-A455 HydrophobicContact CE3-CB 4.4Å; W452-A455 PolarHBondContact O-N 2.85Å |
| 453 | H | 93.1 | Very high | 95.9 | Very high | 117 Ų | 117 | 67.4 Ų | 67.4 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -31.5 | 174.9 | -178.5 | 73.4 | 0 | 0 | 0 | 111.7 | N450 P451 | N450-H453 HydrophobicContact CB-CB 4Å; N450-H453 VanDerWaalsContact O-CB 3.31Å; N450-H453 WeakPolarHBondContact O-CB 3.33Å; N450-H453 PolarHBondContact O-N 3.05Å; N450-H453 VanDerWaalsContact O-N 3.11Å; P451-H453 VanDerWaalsContact C-N 3.29Å; P451-H453 PolarHBondContact O-N 3.47Å |
| 454 | Y | 94.8 | Very high | 95.8 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -99.6 | -5.3 | -179.5 | -59.9 | -76.1 | 0 | 0 | 0 | 113.7 | N450 P451 W452 F456 S457 D458 L461 I465 | N450-Y454 VanDerWaalsContact O-CD2 3.28Å; N450-Y454 WeakPolarHBondContact O-CD2 3.33Å; P451-Y454 PolarHBondContact O-N 3.47Å; P451-Y454 VanDerWaalsContact O-N 3.15Å; W452-Y454 PolarHBondContact O-N 3.12Å; Y454-F456 PolarHBondContact O-N 3.34Å; Y454-F456 VanDerWaalsContact O-N 3.08Å; Y454-S457 PolarHBondContact O-N 3.33Å; Y454-D458 CarbonylContact O-C 3.57Å; Y454-D458 WeakPolarHBondContact O-CA 3.4Å; Y454-D458 PolarHBondContact O-N 2.94Å; Y454-D458 VanDerWaalsContact O-O 3.09Å; Y454-L461 HydrophobicContact CD1-CD2 3.76Å; Y454-L461 HydrophobicContact CD2-CD2 4.35Å; Y454-L461 HydrophobicContact CE1-CD2 3.95Å; Y454-L461 HydrophobicContact CG-CD2 3.97Å; Y454-L461 HydrophobicContact CG-CG 4.48Å; Y454-I465 HydrophobicContact CD2-CD1 3.52Å; Y454-I465 HydrophobicContact CE2-CD1 3.86Å; Y454-I465 HydrophobicContact CG-CD1 4.39Å |
| 455 | A | 94 | Very high | 95.7 | Very high | 29 Ų | 29 | 59 Ų | 59 | 24% | 0.24 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114 | P451 W452 | P451-A455 PolarHBondContact O-N 3.48Å; W452-A455 HydrophobicContact CE3-CB 4.4Å; W452-A455 PolarHBondContact O-N 2.85Å |
| 456 | F | 94.7 | Very high | 95.5 | Very high | 202 Ų | 202 | 62 Ų | 62 | 89% | 0.886 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -35.5 | -180 | -59.5 | -73.3 | 0 | 0 | 0 | 113.4 | Y454 | Y454-F456 PolarHBondContact O-N 3.34Å; Y454-F456 VanDerWaalsContact O-N 3.08Å |
| 457 | S | 96.3 | Very high | 95.2 | Very high | 94 Ų | 94 | 63 Ų | 63 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -32.1 | -178.2 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | Y454 | Y454-S457 PolarHBondContact O-N 3.33Š|
| 458 | D | 97.2 | Very high | 94.9 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | trans | -152.3 | 72.5 | -178.6 | -168.4 | -8.6 | 0 | 0 | 0 | 111.1 | Y454 L460 L461 A462 R487 | Y454-D458 CarbonylContact O-C 3.57Å; Y454-D458 WeakPolarHBondContact O-CA 3.4Å; Y454-D458 PolarHBondContact O-N 2.94Å; Y454-D458 VanDerWaalsContact O-O 3.09Å; D458-L460 PolarHBondContact O-N 3.48Å; D458-L460 VanDerWaalsContact O-N 3.13Å; D458-L461 HydrophobicContact CB-CB 4Å; D458-L461 PolarHBondContact O-N 3Å; D458-L461 PolarHBondContact OD1-N 2.84Å; D458-L461 VanDerWaalsContact OD1-N 3.14Å; D458-L461 WeakPolarHBondContact OD2-CB 3.49Å; D458-A462 PolarHBondContact O-N 3.48Å; D458-R487 VanDerWaalsContact CG-NH2 3.25Å; D458-R487 IonicContact OD1-CZ 3.53Å; D458-R487 IonicContact OD1-NH2 3.51Å; D458-R487 PolarHBondContact OD1-NH2 2.84Å; D458-R487 IonicContact OD2-CZ 3.58Å; D458-R487 IonicContact OD2-NE 3.99Å; D458-R487 PolarHBondContact OD2-NE 2.88Å; D458-R487 IonicContact OD2-NH2 2.9Å; D458-R487 PolarHBondContact OD2-NH2 2.87Å | ||
| 459 | P | 96 | Very high | 94.8 | Very high | 82 Ų | 82 | 59.3 Ų | 59.3 | 53% | 0.532 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.7 | -29.2 | -175.9 | 20.9 | -33.1 | 0 | 0 | 0 | 113.1 | F463 | P459-F463 WeakPolarHBondContact O-CB 3.32Å; P459-F463 PolarHBondContact O-N 3Å |
| 460 | L | 95.6 | Very high | 94.9 | Very high | 87 Ų | 87 | 59.2 Ų | 59.2 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.3 | -48.8 | 175.6 | -176.7 | 63.2 | 0 | 0 | 0 | 110.8 | D458 A462 F463 Y464 V491 | D458-L460 PolarHBondContact O-N 3.48Å; D458-L460 VanDerWaalsContact O-N 3.13Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-F463 WeakPolarHBondContact O-CB 3.25Å; L460-F463 PolarHBondContact O-N 2.75Å; L460-Y464 HydrophobicContact CD1-CD2 4.03Å; L460-Y464 HydrophobicContact CD1-CE2 3.75Å; L460-Y464 HydrophobicContact CG-CD2 4.22Å; L460-Y464 HydrophobicContact CG-CE2 4.25Å; L460-Y464 WeakPolarHBondContact O-CD2 3.17Å; L460-Y464 PolarHBondContact O-N 2.89Å; L460-Y464 VanDerWaalsContact O-N 3.08Å; L460-V491 HydrophobicContact CD2-CG1 3.7Å; L460-V491 HydrophobicContact CG-CG1 4.14Å |
| 461 | L | 97.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.8 | 179.1 | 63.1 | 0 | 0 | 0 | 111.5 | Y454 D458 F463 Y464 I465 L477 R487 V490 V491 | Y454-L461 HydrophobicContact CD1-CD2 3.76Å; Y454-L461 HydrophobicContact CD2-CD2 4.35Å; Y454-L461 HydrophobicContact CE1-CD2 3.95Å; Y454-L461 HydrophobicContact CG-CD2 3.97Å; Y454-L461 HydrophobicContact CG-CG 4.48Å; D458-L461 HydrophobicContact CB-CB 4Å; D458-L461 PolarHBondContact O-N 3Å; D458-L461 PolarHBondContact OD1-N 2.84Å; D458-L461 VanDerWaalsContact OD1-N 3.14Å; D458-L461 WeakPolarHBondContact OD2-CB 3.49Å; L461-F463 VanDerWaalsContact C-N 3.29Å; L461-F463 PolarHBondContact O-N 2.91Å; L461-Y464 PolarHBondContact O-N 2.66Å; L461-Y464 VanDerWaalsContact O-N 3.1Å; L461-I465 HydrophobicContact CD1-CD1 4.28Å; L461-I465 HydrophobicContact CD1-CG1 4.28Å; L461-I465 HydrophobicContact CD2-CD1 4.48Å; L461-I465 HydrophobicContact CG-CD1 3.89Å; L461-I465 HydrophobicContact CG-CG1 4.35Å; L461-I465 WeakPolarHBondContact O-CG1 3.01Å; L461-I465 PolarHBondContact O-N 2.99Å; L461-L477 HydrophobicContact CD1-CD1 4.15Å; L461-L477 HydrophobicContact CD1-CD2 4.23Å; L461-L477 HydrophobicContact CD2-CD1 4.32Å; L461-L477 HydrophobicContact CD2-CD2 4.09Å; L461-R487 HydrophobicContact CD1-CG 4.34Å; L461-R487 HydrophobicContact CD2-CG 4.24Å; L461-V490 HydrophobicContact CD1-CB 4.12Å; L461-V490 HydrophobicContact CD1-CG1 3.75Å; L461-V491 HydrophobicContact CD1-CG2 4.28Å |
| 462 | A | 96.7 | Very high | 95.4 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P451 D458 L460 I465 F466 | P451-A462 VanDerWaalsContact O-CB 3.27Å; P451-A462 WeakPolarHBondContact O-CB 3.3Å; D458-A462 PolarHBondContact O-N 3.48Å; L460-A462 VanDerWaalsContact C-N 3.35Å; A462-I465 PolarHBondContact O-N 2.97Å; A462-F466 PolarHBondContact O-N 3.18Å; A462-F466 VanDerWaalsContact O-N 3.11Å |
| 463 | F | 94.3 | Very high | 95.6 | Very high | 94 Ų | 94 | 45 Ų | 45 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 174.1 | 175.3 | -84.9 | 0 | 0 | 0 | 111.8 | P459 L460 L461 F466 L467 | P459-F463 WeakPolarHBondContact O-CB 3.32Å; P459-F463 PolarHBondContact O-N 3Å; L460-F463 WeakPolarHBondContact O-CB 3.25Å; L460-F463 PolarHBondContact O-N 2.75Å; L461-F463 VanDerWaalsContact C-N 3.29Å; L461-F463 PolarHBondContact O-N 2.91Å; F463-F466 PolarHBondContact O-N 2.78Å; F463-L467 HydrophobicContact CD2-CD1 3.69Å; F463-L467 HydrophobicContact CE1-CB 4.38Å; F463-L467 HydrophobicContact CE2-CB 4.5Å; F463-L467 HydrophobicContact CE2-CD1 3.26Å; F463-L467 HydrophobicContact CE2-CG 4.42Å; F463-L467 HydrophobicContact CG-CD1 4.49Å; F463-L467 HydrophobicContact CZ-CB 4.26Å; F463-L467 HydrophobicContact CZ-CD1 3.73Å; F463-L467 PolarHBondContact O-N 3.42Å |
| 464 | Y | 95.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 39.5 Ų | 39.5 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69 | -33.4 | 179.6 | -88.3 | -85.4 | 0 | 0 | 0 | 113.6 | L460 L461 F466 G468 V491 V493 W494 | L460-Y464 HydrophobicContact CD1-CD2 4.03Å; L460-Y464 HydrophobicContact CD1-CE2 3.75Å; L460-Y464 HydrophobicContact CG-CD2 4.22Å; L460-Y464 HydrophobicContact CG-CE2 4.25Å; L460-Y464 WeakPolarHBondContact O-CD2 3.17Å; L460-Y464 PolarHBondContact O-N 2.89Å; L460-Y464 VanDerWaalsContact O-N 3.08Å; L461-Y464 PolarHBondContact O-N 2.66Å; L461-Y464 VanDerWaalsContact O-N 3.1Å; Y464-F466 VanDerWaalsContact C-N 3.27Å; Y464-F466 PolarHBondContact O-N 2.94Å; Y464-G468 WeakPolarHBondContact O-CA 3.39Å; Y464-G468 PolarHBondContact O-N 3.42Å; Y464-V491 HydrophobicContact CD2-CG1 4.39Å; Y464-V491 HydrophobicContact CD2-CG2 4.32Å; Y464-V491 HydrophobicContact CE2-CG1 4.13Å; Y464-V493 HydrophobicContact CD1-CG1 4.33Å; Y464-V493 HydrophobicContact CE1-CG1 4.2Å; Y464-W494 AromaticContact CE1-CD1 3.45Å; Y464-W494 VanDerWaalsContact CE1-CD1 3.45Å; Y464-W494 AromaticContact CE1-NE1 3.63Å |
| 465 | I | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 172.7 | -68.5 | 166.6 | 0 | 0 | 0 | 110.3 | R240 P449 P451 Y454 L461 A462 L477 | R240-I465 WeakPolarHBondContact CD-O 3.38Å; R240-I465 WeakPolarHBondContact CG-O 3.4Å; P449-I465 HydrophobicContact CB-CG2 4.21Å; P451-I465 HydrophobicContact CB-CB 4.17Å; P451-I465 HydrophobicContact CB-CG2 3.91Å; P451-I465 HydrophobicContact CG-CG2 4.18Å; Y454-I465 HydrophobicContact CD2-CD1 3.52Å; Y454-I465 HydrophobicContact CE2-CD1 3.86Å; Y454-I465 HydrophobicContact CG-CD1 4.39Å; L461-I465 HydrophobicContact CD1-CD1 4.28Å; L461-I465 HydrophobicContact CD1-CG1 4.28Å; L461-I465 HydrophobicContact CD2-CD1 4.48Å; L461-I465 HydrophobicContact CG-CD1 3.89Å; L461-I465 HydrophobicContact CG-CG1 4.35Å; L461-I465 WeakPolarHBondContact O-CG1 3.01Å; L461-I465 PolarHBondContact O-N 2.99Å; A462-I465 PolarHBondContact O-N 2.97Å; I465-L477 HydrophobicContact CD1-CD1 3.76Å; I465-L477 HydrophobicContact CG1-CD1 4.1Å |
| 466 | F | 93.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -84.6 | -49 | -175.1 | -171.7 | -118.3 | 0 | 0 | 0 | 114.1 | R240 L241 M244 P451 A462 F463 Y464 | R240-F466 HydrophobicContact CB-CD2 4.1Å; R240-F466 HydrophobicContact CB-CE2 4.49Å; R240-F466 WeakPolarHBondContact CB-O 3.47Å; R240-F466 PolarHBondContact N-O 3.26Å; L241-F466 HydrophobicContact CB-CE1 4.42Å; L241-F466 HydrophobicContact CB-CZ 4.37Å; L241-F466 HydrophobicContact CD1-CE1 4.45Å; L241-F466 HydrophobicContact CD1-CZ 4.28Å; L241-F466 PolarHBondContact N-O 3.15Å; M244-F466 HydrophobicContact CE-CE2 3.7Å; M244-F466 HydrophobicContact CE-CZ 3.9Å; P451-F466 HydrophobicContact CB-CB 4.26Å; A462-F466 PolarHBondContact O-N 3.18Å; A462-F466 VanDerWaalsContact O-N 3.11Å; F463-F466 PolarHBondContact O-N 2.78Å; Y464-F466 VanDerWaalsContact C-N 3.27Å; Y464-F466 PolarHBondContact O-N 2.94Å |
| 467 | L | 91.1 | Very high | 96.4 | Very high | 64 Ų | 64 | 28.6 Ų | 28.6 | 34% | 0.335 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -106.2 | -19.6 | -172.9 | -65 | 172.8 | 0 | 0 | 0 | 113.7 | L241 F463 | L241-L467 HydrophobicContact CB-CD2 3.76Å; L241-L467 HydrophobicContact CD2-CD2 3.42Å; L241-L467 VanDerWaalsContact CD2-CD2 3.42Å; L241-L467 HydrophobicContact CG-CD2 4.15Å; F463-L467 HydrophobicContact CD2-CD1 3.69Å; F463-L467 HydrophobicContact CE1-CB 4.38Å; F463-L467 HydrophobicContact CE2-CB 4.5Å; F463-L467 HydrophobicContact CE2-CD1 3.26Å; F463-L467 HydrophobicContact CE2-CG 4.42Å; F463-L467 HydrophobicContact CG-CD1 4.49Å; F463-L467 HydrophobicContact CZ-CB 4.26Å; F463-L467 HydrophobicContact CZ-CD1 3.73Å; F463-L467 PolarHBondContact O-N 3.42Å |
| 468 | G | 93.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -76.2 | 168.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N239 Y464 C470 | N239-G468 WeakPolarHBondContact CB-O 3.26Å; Y464-G468 WeakPolarHBondContact O-CA 3.39Å; Y464-G468 PolarHBondContact O-N 3.42Å; G468-C470 PolarHBondContact O-N 2.91Å |
| 469 | P | 95.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | trans | -57.1 | 136.6 | 173.7 | -17.8 | 30.9 | 0 | 0 | 0 | 109.9 | M67 V235 T471 Q474 V493 W494 | M67-P469 HydrophobicContact SD-CB 3.84Å; V235-P469 HydrophobicContact CB-CB 4.01Å; V235-P469 HydrophobicContact CB-CG 3.87Å; V235-P469 HydrophobicContact CG1-CB 4.48Å; P469-T471 HydrophobicContact CB-CG2 4.19Å; P469-T471 PolarHBondContact O-N 3.05Å; P469-Q474 PolarHBondContact O-NE2 3.43Å; P469-V493 HydrophobicContact CG-CG1 4.23Å; P469-V493 HydrophobicContact CG-CG2 4.48Å; P469-W494 HydrophobicContact CG-CH2 3.77Å; P469-W494 HydrophobicContact CG-CZ2 3.69Å; P469-W494 HydrophobicContact CG-CZ3 4.37Å | ||
| 470 | C | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -76.3 | 66.6 | 178.3 | -163.5 | 0 | 0 | 0 | 0 | 110.4 | M67 L238 Y434 I435 G468 Y475 | M67-C470 WeakPolarHBondContact CE-O 3.33Å; L238-C470 VanDerWaalsContact O-CB 3.3Å; L238-C470 WeakPolarHBondContact O-CB 3.42Å; L238-C470 PolarHBondContact O-N 3.03Å; Y434-C470 WeakPolarHBondContact CE1-O 3.15Å; I435-C470 HydrophobicContact CD1-CB 3.79Å; I435-C470 HydrophobicContact CG1-CB 3.8Å; G468-C470 PolarHBondContact O-N 2.91Å; C470-Y475 PolarHBondContact SG-OH 3.28Å | ||
| 471 | T | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | trans | -67.2 | 150.2 | -177.8 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | E66 M67 P469 Y473 Q474 V493 | E66-T471 HydrophobicContact CB-CG2 4.36Å; M67-T471 HydrophobicContact SD-CG2 4.15Å; P469-T471 HydrophobicContact CB-CG2 4.19Å; P469-T471 PolarHBondContact O-N 3.05Å; T471-Y473 HydrophobicContact CG2-CD2 4.11Å; T471-Y473 HydrophobicContact CG2-CE2 4.17Å; T471-Y473 PolarHBondContact O-N 3.31Å; T471-Y473 WeakPolarHBondContact OG1-CD2 3.23Å; T471-Q474 WeakPolarHBondContact O-CB 3.49Å; T471-Q474 WeakPolarHBondContact O-CG 3.24Å; T471-Q474 PolarHBondContact O-N 3.42Å; T471-V493 HydrophobicContact CG2-CG2 3.7Å | ||
| 472 | P | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -49.9 | -33.7 | 173.3 | -29.6 | 38.8 | 0 | 0 | 0 | 113.9 | E66 A69 S71 P382 Q474 Y475 | E66-P472 WeakPolarHBondContact O-CD 3.18Å; A69-P472 WeakPolarHBondContact O-CB 3.02Å; A69-P472 WeakPolarHBondContact O-CG 3.28Å; S71-P472 VanDerWaalsContact CB-O 3.28Å; S71-P472 WeakPolarHBondContact CB-O 3.22Å; P382-P472 HydrophobicContact CB-CB 3.87Å; P382-P472 HydrophobicContact CB-CG 3.5Å; P382-P472 VanDerWaalsContact CB-CG 3.5Å; P382-P472 HydrophobicContact CG-CB 4.2Å; P382-P472 HydrophobicContact CG-CG 3.32Å; P472-Q474 PolarHBondContact O-N 3.06Å; P472-Q474 VanDerWaalsContact O-N 3.12Å; P472-Y475 WeakPolarHBondContact O-CD2 3.35Å; P472-Y475 PolarHBondContact O-N 2.93Å |
| 473 | Y | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -56.5 | -29.6 | -179.9 | -40.3 | -42.2 | 0 | 0 | 0 | 113.4 | E66 A69 S71 P74 T471 Y475 R476 A486 A489 | E66-Y473 HydrophobicContact CB-CE2 4.48Å; E66-Y473 WeakPolarHBondContact OE2-CE2 3.42Å; E66-Y473 PolarHBondContact OE2-OH 2.71Å; E66-Y473 VanDerWaalsContact OE2-OH 3.09Å; A69-Y473 HydrophobicContact CB-CE1 3.58Å; A69-Y473 WeakPolarHBondContact CB-OH 3.14Å; S71-Y473 WeakPolarHBondContact O-CD1 3.27Å; P74-Y473 HydrophobicContact CB-CE1 4.09Å; P74-Y473 HydrophobicContact CG-CD1 4.33Å; P74-Y473 HydrophobicContact CG-CE1 3.81Å; T471-Y473 HydrophobicContact CG2-CD2 4.11Å; T471-Y473 HydrophobicContact CG2-CE2 4.17Å; T471-Y473 PolarHBondContact O-N 3.31Å; T471-Y473 WeakPolarHBondContact OG1-CD2 3.23Å; Y473-Y475 PolarHBondContact O-N 2.84Å; Y473-R476 PolarHBondContact O-N 3.18Å; Y473-A486 WeakPolarHBondContact O-CB 3.41Å; Y473-A489 HydrophobicContact CD1-CB 4.35Å; Y473-A489 HydrophobicContact CD2-CB 3.53Å; Y473-A489 HydrophobicContact CE2-CB 4.06Å; Y473-A489 HydrophobicContact CG-CB 3.7Å |
| 474 | Q | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -61.1 | -31.2 | 179 | -63.4 | -174.1 | 14 | 0 | 0 | 111.9 | P449 P469 T471 P472 R476 L477 V490 | P449-Q474 HydrophobicContact CB-CB 4.14Å; P449-Q474 HydrophobicContact CG-CB 3.93Å; P469-Q474 PolarHBondContact O-NE2 3.43Å; T471-Q474 WeakPolarHBondContact O-CB 3.49Å; T471-Q474 WeakPolarHBondContact O-CG 3.24Å; T471-Q474 PolarHBondContact O-N 3.42Å; P472-Q474 PolarHBondContact O-N 3.06Å; P472-Q474 VanDerWaalsContact O-N 3.12Å; Q474-R476 PolarHBondContact O-N 3.26Å; Q474-L477 HydrophobicContact CB-CD1 4.32Å; Q474-L477 WeakPolarHBondContact O-CB 3.24Å; Q474-L477 WeakPolarHBondContact O-CD1 3.44Å; Q474-L477 WeakPolarHBondContact O-CG 3.1Å; Q474-L477 PolarHBondContact O-N 2.98Å; Q474-V490 HydrophobicContact CB-CG2 4.48Å; Q474-V490 HydrophobicContact CG-CG1 4.33Å; Q474-V490 HydrophobicContact CG-CG2 3.71Å |
| 475 | Y | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -80.4 | 5.7 | -179.9 | -56.4 | -81.9 | 0 | 0 | 0 | 113.4 | M386 R389 M438 D439 S442 P449 C470 P472 Y473 | M386-Y475 VanDerWaalsContact CE-CB 3.49Å; M386-Y475 HydrophobicContact CE-CD1 3.98Å; M386-Y475 HydrophobicContact CE-CG 3.79Å; R389-Y475 PolarHBondContact NH1-O 2.53Å; R389-Y475 PolarHBondContact NH2-O 2.75Å; M438-Y475 HydrophobicContact CB-CE1 3.88Å; M438-Y475 HydrophobicContact CB-CE2 3.97Å; M438-Y475 VanDerWaalsContact CB-CZ 3.42Å; M438-Y475 WeakPolarHBondContact CB-OH 3.35Å; M438-Y475 HydrophobicContact CE-CD2 3.55Å; M438-Y475 HydrophobicContact CE-CE2 3.6Å; M438-Y475 HydrophobicContact CE-CG 4.1Å; M438-Y475 HydrophobicContact CG-CE2 4.41Å; D439-Y475 PolarHBondContact OD1-OH 3.31Å; S442-Y475 WeakPolarHBondContact OG-CD1 3.06Å; S442-Y475 WeakPolarHBondContact OG-CE1 3.18Å; P449-Y475 HydrophobicContact CG-CD1 4.32Å; P449-Y475 HydrophobicContact CG-CE1 4.19Å; C470-Y475 PolarHBondContact SG-OH 3.28Å; P472-Y475 WeakPolarHBondContact O-CD2 3.35Å; P472-Y475 PolarHBondContact O-N 2.93Å; Y473-Y475 PolarHBondContact O-N 2.84Å |
| 476 | R | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -114.2 | 7.1 | 171.8 | -67.5 | -76.1 | -174 | 169.7 | 4.7 | 112.6 | D24 S71 D72 E385 Y473 Q474 Q478 H481 S482 W483 A486 | D24-R476 IonicContact OD2-NH1 2.74Å; S71-R476 VanDerWaalsContact OG-CG 3.26Å; S71-R476 WeakPolarHBondContact OG-CG 3.46Å; S71-R476 PolarHBondContact OG-NE 3.05Å; D72-R476 HydrophobicContact CB-CG 4.45Å; D72-R476 IonicContact OD2-CZ 3.7Å; D72-R476 IonicContact OD2-NH1 3.11Å; D72-R476 IonicContact OD2-NH2 3.63Å; D72-R476 PolarHBondContact OD2-NH2 2.77Å; E385-R476 IonicContact OE1-CZ 2.62Å; E385-R476 IonicContact OE1-NE 3.11Å; E385-R476 IonicContact OE1-NH2 3.69Å; E385-R476 PolarHBondContact OE1-NH2 3.32Å; Y473-R476 PolarHBondContact O-N 3.18Å; Q474-R476 PolarHBondContact O-N 3.26Å; R476-Q478 VanDerWaalsContact C-N 3.32Å; R476-H481 WeakPolarHBondContact CD-O 3.19Å; R476-H481 PolarHBondContact NH1-O 3.12Å; R476-S482 CarbonylContact O-C 3.27Å; R476-S482 VanDerWaalsContact O-CA 3.26Å; R476-S482 WeakPolarHBondContact O-CA 3.49Å; R476-S482 WeakPolarHBondContact O-CB 3.42Å; R476-W483 HydrophobicContact CB-CB 3.83Å; R476-W483 HydrophobicContact CG-CB 4.3Å; R476-W483 PolarHBondContact O-N 3.4Å; R476-A486 HydrophobicContact CB-CB 3.96Å |
| 477 | L | 98.1 | Very high | 97.2 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 15% | 0.152 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -71.2 | -27.6 | 176.2 | -68.3 | 171.6 | 0 | 0 | 0 | 113.1 | P449 L461 I465 Q474 A486 R487 | P449-L477 HydrophobicContact CB-CD1 4.46Å; L461-L477 HydrophobicContact CD1-CD1 4.15Å; L461-L477 HydrophobicContact CD1-CD2 4.23Å; L461-L477 HydrophobicContact CD2-CD1 4.32Å; L461-L477 HydrophobicContact CD2-CD2 4.09Å; I465-L477 HydrophobicContact CD1-CD1 3.76Å; I465-L477 HydrophobicContact CG1-CD1 4.1Å; Q474-L477 HydrophobicContact CB-CD1 4.32Å; Q474-L477 WeakPolarHBondContact O-CB 3.24Å; Q474-L477 WeakPolarHBondContact O-CD1 3.44Å; Q474-L477 WeakPolarHBondContact O-CG 3.1Å; Q474-L477 PolarHBondContact O-N 2.98Å; L477-A486 HydrophobicContact CD2-CB 3.89Å; L477-A486 HydrophobicContact CG-CB 4.38Å; L477-R487 HydrophobicContact CD2-CB 4.17Å |
| 478 | Q | 96.7 | Very high | 97.6 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -153.8 | 170.9 | -177.2 | 59.5 | 176.2 | 82.5 | 0 | 0 | 110.8 | G446 K448 R476 | G446-Q478 PolarHBondContact O-NE2 2.96Å; K448-Q478 PolarHBondContact O-NE2 3.27Å; R476-Q478 VanDerWaalsContact C-N 3.32Å |
| 479 | G | 96.5 | Very high | 97.8 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 34% | 0.34 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 80 | -173.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H481 S482 | G479-H481 PolarHBondContact O-N 3.38Å; G479-S482 PolarHBondContact O-N 2.9Å |
| 480 | P | 97.1 | Very high | 97.9 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 25% | 0.253 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 135.9 | -179.9 | -24.8 | 34.3 | 0 | 0 | 0 | 112.2 | R389 I445 S482 | R389-P480 PolarHBondContact NH2-O 3.35Å; I445-P480 WeakPolarHBondContact O-CD 3.42Å; P480-S482 VanDerWaalsContact C-N 3.3Å; P480-S482 PolarHBondContact O-N 2.81Å |
| 481 | H | 96.9 | Very high | 97.9 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 42.4 | 179.7 | -42.8 | -61.9 | 0 | 0 | 0 | 112.8 | D24 Y25 R476 G479 | D24-H481 PolarHBondContact O-CE1 3.46Å; D24-H481 VanDerWaalsContact O-CE1 3.22Å; Y25-H481 AromaticContact CD2-NE2 3.43Å; Y25-H481 WeakPolarHBondContact CD2-NE2 3.5Å; Y25-H481 AromaticContact CE1-NE2 3.67Å; Y25-H481 AromaticContact CE2-CD2 3.56Å; Y25-H481 AromaticContact CE2-NE2 3.09Å; Y25-H481 WeakPolarHBondContact CE2-NE2 3.5Å; Y25-H481 AromaticContact CG-NE2 3.89Å; Y25-H481 AromaticContact CZ-CD2 3.83Å; Y25-H481 AromaticContact CZ-NE2 3.2Å; R476-H481 WeakPolarHBondContact CD-O 3.19Å; R476-H481 PolarHBondContact NH1-O 3.12Å; G479-H481 PolarHBondContact O-N 3.38Å |
| 482 | S | 97.7 | Very high | 97.8 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 48% | 0.483 | 23% | 0.231 | S | C | . | . | trans | -55.1 | 151.9 | 167.5 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | R476 G479 P480 | R476-S482 CarbonylContact O-C 3.27Å; R476-S482 VanDerWaalsContact O-CA 3.26Å; R476-S482 WeakPolarHBondContact O-CA 3.49Å; R476-S482 WeakPolarHBondContact O-CB 3.42Å; G479-S482 PolarHBondContact O-N 2.9Å; P480-S482 VanDerWaalsContact C-N 3.3Å; P480-S482 PolarHBondContact O-N 2.81Å | ||
| 483 | W | 98.3 | Very high | 97.7 | Very high | 83 Ų | 83 | 44.4 Ų | 44.4 | 31% | 0.314 | 23% | 0.232 | S | C | . | . | trans | -119.5 | 124.6 | -177 | 176.5 | 55.7 | 0 | 0 | 0 | 111.3 | D72 P74 R476 G485 A486 A489 | D72-W483 HydrophobicContact CB-CB 4Å; D72-W483 HydrophobicContact CB-CD2 4.05Å; D72-W483 HydrophobicContact CB-CE3 4.44Å; D72-W483 HydrophobicContact CB-CG 3.84Å; P74-W483 VanDerWaalsContact CD-CH2 3.41Å; P74-W483 HydrophobicContact CG-CH2 3.52Å; P74-W483 HydrophobicContact CG-CZ3 3.9Å; R476-W483 HydrophobicContact CB-CB 3.83Å; R476-W483 HydrophobicContact CG-CB 4.3Å; R476-W483 PolarHBondContact O-N 3.4Å; W483-G485 VanDerWaalsContact CE3-C 3.47Å; W483-G485 VanDerWaalsContact CZ3-C 3.41Å; W483-G485 PolarHBondContact O-N 2.63Å; W483-A486 HydrophobicContact CB-CB 4.47Å; W483-A486 HydrophobicContact CE3-CB 4Å; W483-A486 WeakPolarHBondContact O-CB 3.43Å; W483-A486 PolarHBondContact O-N 2.95Å; W483-A489 HydrophobicContact CH2-CB 4.37Å; W483-A489 HydrophobicContact CZ3-CB 3.94Å | ||
| 484 | N | 97.5 | Very high | 97.5 | Very high | 167 Ų | 167 | 45.1 Ų | 45.1 | 89% | 0.893 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.7 | -177.5 | -69.4 | -16.7 | 0 | 0 | 0 | 113.6 | A486 | N484-A486 VanDerWaalsContact C-N 3.35Š|
| 485 | G | 98.1 | Very high | 97.3 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 22% | 0.216 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | W483 R487 K488 A489 | W483-G485 VanDerWaalsContact CE3-C 3.47Å; W483-G485 VanDerWaalsContact CZ3-C 3.41Å; W483-G485 PolarHBondContact O-N 2.63Å; G485-R487 PolarHBondContact O-N 2.77Å; G485-K488 PolarHBondContact O-N 2.85Å; G485-A489 PolarHBondContact O-N 2.83Å |
| 486 | A | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59 | -50.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y473 R476 L477 W483 N484 K488 A489 V490 | Y473-A486 WeakPolarHBondContact O-CB 3.41Å; R476-A486 HydrophobicContact CB-CB 3.96Å; L477-A486 HydrophobicContact CD2-CB 3.89Å; L477-A486 HydrophobicContact CG-CB 4.38Å; W483-A486 HydrophobicContact CB-CB 4.47Å; W483-A486 HydrophobicContact CE3-CB 4Å; W483-A486 WeakPolarHBondContact O-CB 3.43Å; W483-A486 PolarHBondContact O-N 2.95Å; N484-A486 VanDerWaalsContact C-N 3.35Å; A486-K488 VanDerWaalsContact C-N 3.32Å; A486-K488 PolarHBondContact O-N 3.4Å; A486-A489 PolarHBondContact O-N 2.84Å; A486-V490 WeakPolarHBondContact O-CG2 3.37Å; A486-V490 PolarHBondContact O-N 3.41Å |
| 487 | R | 98 | Very high | 97.1 | Very high | 114 Ų | 114 | 49.1 Ų | 49.1 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.5 | -49.1 | 178 | 179.5 | -171.1 | -174.3 | -77.6 | -12.5 | 111.7 | D458 L461 L477 G485 V490 V491 | D458-R487 VanDerWaalsContact CG-NH2 3.25Å; D458-R487 IonicContact OD1-CZ 3.53Å; D458-R487 IonicContact OD1-NH2 3.51Å; D458-R487 PolarHBondContact OD1-NH2 2.84Å; D458-R487 IonicContact OD2-CZ 3.58Å; D458-R487 IonicContact OD2-NE 3.99Å; D458-R487 PolarHBondContact OD2-NE 2.88Å; D458-R487 IonicContact OD2-NH2 2.9Å; D458-R487 PolarHBondContact OD2-NH2 2.87Å; L461-R487 HydrophobicContact CD1-CG 4.34Å; L461-R487 HydrophobicContact CD2-CG 4.24Å; L477-R487 HydrophobicContact CD2-CB 4.17Å; G485-R487 PolarHBondContact O-N 2.77Å; R487-V490 PolarHBondContact O-N 2.99Å; R487-V491 WeakPolarHBondContact O-CG2 3.34Å; R487-V491 PolarHBondContact O-N 3.46Å |
| 488 | K | 98.3 | Very high | 96.8 | Very high | 127 Ų | 127 | 51 Ų | 51 | 55% | 0.552 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.5 | -46.2 | -179 | -175.7 | -179.3 | 179.4 | 179.3 | 0 | 110.8 | G485 A486 V490 V491 E492 | G485-K488 PolarHBondContact O-N 2.85Å; A486-K488 VanDerWaalsContact C-N 3.32Å; A486-K488 PolarHBondContact O-N 3.4Å; K488-V490 VanDerWaalsContact C-N 3.32Å; K488-V490 PolarHBondContact O-N 3.12Å; K488-V491 PolarHBondContact O-N 2.83Å; K488-E492 WeakPolarHBondContact CE-OE1 3.38Å; K488-E492 WeakPolarHBondContact CE-OE2 3.32Å; K488-E492 HydrophobicContact CG-CG 4.2Å; K488-E492 WeakPolarHBondContact CG-OE1 3.41Å; K488-E492 VanDerWaalsContact O-CB 3.32Å; K488-E492 WeakPolarHBondContact O-CB 3.35Å; K488-E492 WeakPolarHBondContact O-CG 3.34Å; K488-E492 PolarHBondContact O-N 2.95Å |
| 489 | A | 98.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P74 Y473 W483 G485 A486 V493 | P74-A489 HydrophobicContact CG-CB 4.24Å; Y473-A489 HydrophobicContact CD1-CB 4.35Å; Y473-A489 HydrophobicContact CD2-CB 3.53Å; Y473-A489 HydrophobicContact CE2-CB 4.06Å; Y473-A489 HydrophobicContact CG-CB 3.7Å; W483-A489 HydrophobicContact CH2-CB 4.37Å; W483-A489 HydrophobicContact CZ3-CB 3.94Å; G485-A489 PolarHBondContact O-N 2.83Å; A486-A489 PolarHBondContact O-N 2.84Å; A489-V493 PolarHBondContact O-N 2.77Å |
| 490 | V | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -49.2 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | L461 Q474 A486 R487 K488 V493 | L461-V490 HydrophobicContact CD1-CB 4.12Å; L461-V490 HydrophobicContact CD1-CG1 3.75Å; Q474-V490 HydrophobicContact CB-CG2 4.48Å; Q474-V490 HydrophobicContact CG-CG1 4.33Å; Q474-V490 HydrophobicContact CG-CG2 3.71Å; A486-V490 WeakPolarHBondContact O-CG2 3.37Å; A486-V490 PolarHBondContact O-N 3.41Å; R487-V490 PolarHBondContact O-N 2.99Å; K488-V490 VanDerWaalsContact C-N 3.32Å; K488-V490 PolarHBondContact O-N 3.12Å; V490-V493 VanDerWaalsContact O-CG1 3.27Å; V490-V493 WeakPolarHBondContact O-CG1 3.48Å |
| 491 | V | 97.2 | Very high | 96.3 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.6 | -31 | -174.2 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | L460 L461 Y464 R487 K488 | L460-V491 HydrophobicContact CD2-CG1 3.7Å; L460-V491 HydrophobicContact CG-CG1 4.14Å; L461-V491 HydrophobicContact CD1-CG2 4.28Å; Y464-V491 HydrophobicContact CD2-CG1 4.39Å; Y464-V491 HydrophobicContact CD2-CG2 4.32Å; Y464-V491 HydrophobicContact CE2-CG1 4.13Å; R487-V491 WeakPolarHBondContact O-CG2 3.34Å; R487-V491 PolarHBondContact O-N 3.46Å; K488-V491 PolarHBondContact O-N 2.83Å |
| 492 | E | 96.3 | Very high | 95.7 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.5 | -179.1 | -65.2 | -177.7 | 179.9 | 0 | 0 | 114 | K488 W494 G495 R496 | K488-E492 WeakPolarHBondContact CE-OE1 3.38Å; K488-E492 WeakPolarHBondContact CE-OE2 3.32Å; K488-E492 HydrophobicContact CG-CG 4.2Å; K488-E492 WeakPolarHBondContact CG-OE1 3.41Å; K488-E492 VanDerWaalsContact O-CB 3.32Å; K488-E492 WeakPolarHBondContact O-CB 3.35Å; K488-E492 WeakPolarHBondContact O-CG 3.34Å; K488-E492 PolarHBondContact O-N 2.95Å; E492-W494 VanDerWaalsContact C-N 3.3Å; E492-W494 PolarHBondContact O-N 2.88Å; E492-W494 VanDerWaalsContact O-N 3.15Å; E492-G495 WeakPolarHBondContact O-CA 3.44Å; E492-G495 PolarHBondContact O-N 2.7Å; E492-R496 PolarHBondContact O-N 2.78Å |
| 493 | V | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -52.1 | -42.8 | -171.4 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | E66 Y464 P469 T471 A489 V490 G495 R496 I497 | E66-V493 HydrophobicContact CB-CG2 4.02Å; E66-V493 HydrophobicContact CG-CG2 4.04Å; Y464-V493 HydrophobicContact CD1-CG1 4.33Å; Y464-V493 HydrophobicContact CE1-CG1 4.2Å; P469-V493 HydrophobicContact CG-CG1 4.23Å; P469-V493 HydrophobicContact CG-CG2 4.48Å; T471-V493 HydrophobicContact CG2-CG2 3.7Å; A489-V493 PolarHBondContact O-N 2.77Å; V490-V493 VanDerWaalsContact O-CG1 3.27Å; V490-V493 WeakPolarHBondContact O-CG1 3.48Å; V493-G495 VanDerWaalsContact C-N 3.33Å; V493-G495 PolarHBondContact O-N 2.72Å; V493-R496 WeakPolarHBondContact O-CB 3.42Å; V493-R496 PolarHBondContact O-N 3.28Å; V493-R496 VanDerWaalsContact O-N 3.16Å; V493-I497 HydrophobicContact CG2-CD1 3.9Å; V493-I497 HydrophobicContact CG2-CG1 4.43Å; V493-I497 WeakPolarHBondContact O-CG1 3.33Å; V493-I497 PolarHBondContact O-N 3.35Å |
| 494 | W | 94 | Very high | 94.6 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67 | -33.4 | 179.8 | -66.7 | 121.5 | 0 | 0 | 0 | 113.1 | Y231 V235 L236 Y464 P469 E492 R496 I497 R498 I515 | Y231-W494 HydrophobicContact CD1-CE3 4.27Å; Y231-W494 HydrophobicContact CD1-CZ3 4.01Å; Y231-W494 HydrophobicContact CE1-CE3 4.21Å; Y231-W494 HydrophobicContact CE1-CZ3 4.37Å; V235-W494 HydrophobicContact CB-CH2 4.45Å; V235-W494 HydrophobicContact CB-CZ3 4.43Å; V235-W494 HydrophobicContact CG2-CH2 4.09Å; V235-W494 HydrophobicContact CG2-CZ3 3.8Å; L236-W494 HydrophobicContact CD2-CH2 3.93Å; L236-W494 HydrophobicContact CD2-CZ3 4.39Å; Y464-W494 AromaticContact CE1-CD1 3.45Å; Y464-W494 VanDerWaalsContact CE1-CD1 3.45Å; Y464-W494 AromaticContact CE1-NE1 3.63Å; P469-W494 HydrophobicContact CG-CH2 3.77Å; P469-W494 HydrophobicContact CG-CZ2 3.69Å; P469-W494 HydrophobicContact CG-CZ3 4.37Å; E492-W494 VanDerWaalsContact C-N 3.3Å; E492-W494 PolarHBondContact O-N 2.88Å; E492-W494 VanDerWaalsContact O-N 3.15Å; W494-R496 VanDerWaalsContact C-N 3.31Å; W494-I497 HydrophobicContact CD2-CD1 4.45Å; W494-I497 HydrophobicContact CE3-CD1 3.68Å; W494-I497 HydrophobicContact CZ3-CD1 3.86Å; W494-R498 WeakPolarHBondContact O-CB 3.3Å; W494-R498 VanDerWaalsContact O-CG 3.26Å; W494-R498 WeakPolarHBondContact O-CG 3.43Å; W494-R498 PolarHBondContact O-N 3.02Å; W494-R498 VanDerWaalsContact O-N 3.09Å; W494-I515 HydrophobicContact CD2-CD1 4.03Å; W494-I515 HydrophobicContact CE3-CD1 3.94Å; W494-I515 HydrophobicContact CH2-CD1 3.52Å; W494-I515 HydrophobicContact CZ2-CD1 3.58Å; W494-I515 HydrophobicContact CZ3-CD1 3.69Å |
| 495 | G | 93.7 | Very high | 93.8 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E492 V493 R498 C499 | E492-G495 WeakPolarHBondContact O-CA 3.44Å; E492-G495 PolarHBondContact O-N 2.7Å; V493-G495 VanDerWaalsContact C-N 3.33Å; V493-G495 PolarHBondContact O-N 2.72Å; G495-R498 PolarHBondContact O-N 3.39Å; G495-C499 WeakPolarHBondContact O-CB 3.12Å; G495-C499 PolarHBondContact O-N 3.23Å |
| 496 | R | 96.2 | Very high | 93.1 | Very high | 38 Ų | 38 | 67.6 Ų | 67.6 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.3 | -39 | 178.9 | -61.9 | 171.5 | 53.7 | 73.8 | 17.1 | 112.7 | K65 E66 P75 K77 E492 V493 W494 C499 P500 | K65-R496 PolarHBondContact NZ-O 3.33Å; E66-R496 VanDerWaalsContact CD-NE 3.34Å; E66-R496 IonicContact OE1-CZ 3.74Å; E66-R496 IonicContact OE1-NE 3.39Å; E66-R496 PolarHBondContact OE1-NE 3.22Å; E66-R496 IonicContact OE1-NH2 3.93Å; E66-R496 PolarHBondContact OE1-NH2 3Å; E66-R496 IonicContact OE2-CZ 3.85Å; E66-R496 IonicContact OE2-NE 2.74Å; E66-R496 PolarHBondContact OE2-NE 3.44Å; E66-R496 IonicContact OE2-NH2 3.97Å; E66-R496 PolarHBondContact OE2-NH2 2.7Å; P75-R496 PolarHBondContact O-NH2 3.2Å; K77-R496 HydrophobicContact CB-CG 4.33Å; E492-R496 PolarHBondContact O-N 2.78Å; V493-R496 WeakPolarHBondContact O-CB 3.42Å; V493-R496 PolarHBondContact O-N 3.28Å; V493-R496 VanDerWaalsContact O-N 3.16Å; W494-R496 VanDerWaalsContact C-N 3.31Å; R496-C499 WeakPolarHBondContact O-CB 3.36Å; R496-C499 PolarHBondContact O-N 3.26Å; R496-P500 WeakPolarHBondContact O-CD 3.35Å |
| 497 | I | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 173 | -68.9 | 162.3 | 0 | 0 | 0 | 111.1 | E66 N81 Y231 P232 V235 V493 W494 P500 | E66-I497 HydrophobicContact CG-CG1 4.01Å; N81-I497 PolarHBondContact ND2-O 3.13Å; N81-I497 PolarHBondContact OD1-O 3.12Å; Y231-I497 HydrophobicContact CD1-CG2 3.94Å; Y231-I497 HydrophobicContact CE1-CG2 4.3Å; P232-I497 HydrophobicContact CG-CG2 4.35Å; V235-I497 HydrophobicContact CB-CD1 4.07Å; V235-I497 HydrophobicContact CG1-CD1 3.78Å; V235-I497 HydrophobicContact CG1-CG1 4.49Å; V235-I497 HydrophobicContact CG2-CD1 4.13Å; V493-I497 HydrophobicContact CG2-CD1 3.9Å; V493-I497 HydrophobicContact CG2-CG1 4.43Å; V493-I497 WeakPolarHBondContact O-CG1 3.33Å; V493-I497 PolarHBondContact O-N 3.35Å; W494-I497 HydrophobicContact CD2-CD1 4.45Å; W494-I497 HydrophobicContact CE3-CD1 3.68Å; W494-I497 HydrophobicContact CZ3-CD1 3.86Å; I497-P500 WeakPolarHBondContact O-CD 3.42Å |
| 498 | R | 93.5 | Very high | 91.6 | Very high | 70 Ų | 70 | 74.1 Ų | 74.1 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -77 | -26.2 | -179.2 | -69.4 | 173 | -169.2 | 134.7 | 1.8 | 113.5 | Y231 W494 G495 Y501 K502 | Y231-R498 HydrophobicContact CE1-CG 4.11Å; Y231-R498 PolarHBondContact OH-NE 2.98Å; W494-R498 WeakPolarHBondContact O-CB 3.3Å; W494-R498 VanDerWaalsContact O-CG 3.26Å; W494-R498 WeakPolarHBondContact O-CG 3.43Å; W494-R498 PolarHBondContact O-N 3.02Å; W494-R498 VanDerWaalsContact O-N 3.09Å; G495-R498 PolarHBondContact O-N 3.39Å; R498-Y501 WeakPolarHBondContact O-CB 3.38Å; R498-Y501 PolarHBondContact O-N 2.8Å; R498-K502 PolarHBondContact O-N 2.94Å |
| 499 | C | 94 | Very high | 90.4 | Very high | 38 Ų | 38 | 72 Ų | 72 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -47.6 | -51.3 | -175.3 | -169.4 | 0 | 0 | 0 | 0 | 114.5 | K77 G495 R496 Y501 K502 | K77-C499 HydrophobicContact CB-CB 4.45Å; K77-C499 WeakPolarHBondContact O-CB 3.34Å; G495-C499 WeakPolarHBondContact O-CB 3.12Å; G495-C499 PolarHBondContact O-N 3.23Å; R496-C499 WeakPolarHBondContact O-CB 3.36Å; R496-C499 PolarHBondContact O-N 3.26Å; C499-Y501 PolarHBondContact O-N 3.34Å; C499-K502 PolarHBondContact O-N 3.26Å; C499-K502 VanDerWaalsContact O-N 3.14Å |
| 500 | P | 94.2 | Very high | 89.1 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -67.4 | -18.4 | -179.4 | 27 | -37 | 0 | 0 | 0 | 114.2 | R496 I497 | R496-P500 WeakPolarHBondContact O-CD 3.35Å; I497-P500 WeakPolarHBondContact O-CD 3.42Å |
| 501 | Y | 90.6 | Very high | 87.7 | Confident | 111 Ų | 111 | 84.7 Ų | 84.7 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -82.7 | -17.1 | 176.2 | -53.8 | -40 | 0 | 0 | 0 | 112.9 | N81 R498 C499 T503 | N81-Y501 WeakPolarHBondContact ND2-CE2 3.35Å; N81-Y501 PolarHBondContact ND2-OH 3.41Å; R498-Y501 WeakPolarHBondContact O-CB 3.38Å; R498-Y501 PolarHBondContact O-N 2.8Å; C499-Y501 PolarHBondContact O-N 3.34Å; Y501-T503 VanDerWaalsContact C-N 3.33Å; Y501-T503 PolarHBondContact O-N 3.16Å |
| 502 | K | 85.5 | Confident | 86 | Confident | 104 Ų | 104 | 89 Ų | 89 | 45% | 0.452 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 32.6 | -174.3 | -66.9 | -162.6 | 172.7 | -141.1 | 0 | 113.7 | R498 C499 R504 D509 | R498-K502 PolarHBondContact O-N 2.94Å; C499-K502 PolarHBondContact O-N 3.26Å; C499-K502 VanDerWaalsContact O-N 3.14Å; K502-R504 PolarHBondContact O-N 3.44Å; K502-D509 IonicContact NZ-OD1 3.59Å; K502-D509 IonicContact NZ-OD2 2.82Å; K502-D509 PolarHBondContact NZ-OD2 3.31Å |
| 503 | T | 85.4 | Confident | 84.5 | Confident | 133 Ų | 133 | 90.8 Ų | 90.8 | 82% | 0.816 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.9 | 174 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | Y501 | Y501-T503 VanDerWaalsContact C-N 3.33Å; Y501-T503 PolarHBondContact O-N 3.16Å |
| 504 | R | 87.2 | Confident | 83.1 | Confident | 196 Ų | 196 | 91.8 Ų | 91.8 | 74% | 0.74 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -129.7 | 132.5 | 169.8 | -180 | 177.8 | 178.1 | -99.9 | 1.7 | 109.5 | K502 P506 | K502-R504 PolarHBondContact O-N 3.44Å; R504-P506 WeakPolarHBondContact O-CD 3.4Å |
| 505 | R | 80.2 | Confident | 81.7 | Confident | 209 Ų | 209 | 92.2 Ų | 92.2 | 79% | 0.789 | 47% | 0.472 | S | S | * | . | trans | -92 | 115.1 | 172.8 | -64.4 | -175 | -174.6 | -177.4 | 1.9 | 109.4 | ||||
| 506 | P | 83.1 | Confident | 80.4 | Confident | 58 Ų | 58 | 93.1 Ų | 93.1 | 38% | 0.377 | 46% | 0.463 | S | S | . | . | trans | -68 | 160.1 | 172.9 | 29.7 | -34.2 | 0 | 0 | 0 | 110.8 | R504 I508 | R504-P506 WeakPolarHBondContact O-CD 3.4Å; P506-I508 VanDerWaalsContact CG-O 3.29Å; P506-I508 WeakPolarHBondContact CG-O 3.43Å; P506-I508 PolarHBondContact O-N 3.27Å | ||
| 507 | A | 84.3 | Confident | 78.4 | Confident | 114 Ų | 114 | 92.4 Ų | 92.4 | 94% | 0.942 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -59.7 | -29.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 508 | I | 80.6 | Confident | 76.5 | Confident | 139 Ų | 139 | 96.3 Ų | 96.3 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | trans | -112.8 | 99.6 | 173 | -56 | 172.7 | 0 | 0 | 0 | 107.7 | P506 | P506-I508 VanDerWaalsContact CG-O 3.29Å; P506-I508 WeakPolarHBondContact CG-O 3.43Å; P506-I508 PolarHBondContact O-N 3.27Å | ||
| 509 | D | 73.4 | Confident | 74.9 | Confident | 82 Ų | 82 | 96.6 Ų | 96.6 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | trans | -92.3 | -5.6 | 178.6 | -167.7 | 31.9 | 0 | 0 | 0 | 113 | K502 T511 | K502-D509 IonicContact NZ-OD1 3.59Å; K502-D509 IonicContact NZ-OD2 2.82Å; K502-D509 PolarHBondContact NZ-OD2 3.31Å; D509-T511 PolarHBondContact O-N 3.44Å | ||
| 510 | K | 71.7 | Confident | 73.2 | Confident | 186 Ų | 186 | 102.1 Ų | 102.1 | 81% | 0.809 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -74.4 | 114.9 | 174 | -74.5 | -172.8 | 179.9 | -179.7 | 0 | 109.6 | T512 | K510-T512 PolarHBondContact O-N 2.84Š|
| 511 | T | 67.7 | Low | 71.6 | Confident | 90 Ų | 90 | 106.2 Ų | 106.2 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | trans | -65.7 | 118.4 | 172 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | D509 F513 | D509-T511 PolarHBondContact O-N 3.44Å; T511-F513 VanDerWaalsContact C-N 3.3Å | ||
| 512 | T | 62.4 | Low | 70.2 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -68.7 | -31.9 | 174.4 | -44.4 | 0 | 0 | 0 | 0 | 112.2 | K510 | K510-T512 PolarHBondContact O-N 2.84Š|
| 513 | F | 63.7 | Low | 69.4 | Low | 134 Ų | 134 | 108.8 Ų | 108.8 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -125.5 | 119.6 | 173.6 | -59.1 | -81.4 | 0 | 0 | 0 | 108.5 | T511 T517 | T511-F513 VanDerWaalsContact C-N 3.3Å; F513-T517 HydrophobicContact CD1-CG2 4.49Å |
| 514 | D | 67 | Low | 68.6 | Low | 23 Ų | 23 | 107.3 Ų | 107.3 | 12% | 0.123 | 53% | 0.528 | C | S | . | . | trans | -120.1 | 170.8 | 167.7 | 76.4 | 8.8 | 0 | 0 | 0 | 110.9 | F516 T517 R520 | D514-F516 PolarHBondContact O-N 2.64Å; D514-F516 VanDerWaalsContact OD1-CA 3.26Å; D514-F516 WeakPolarHBondContact OD1-CA 3.48Å; D514-F516 WeakPolarHBondContact OD1-CB 3.34Å; D514-F516 PolarHBondContact OD1-N 3.1Å; D514-T517 VanDerWaalsContact CG-OG1 3.24Å; D514-T517 PolarHBondContact N-OG1 2.86Å; D514-T517 VanDerWaalsContact O-CB 3.29Å; D514-T517 WeakPolarHBondContact O-CB 3.45Å; D514-T517 PolarHBondContact O-N 2.7Å; D514-T517 PolarHBondContact O-OG1 2.85Å; D514-T517 WeakPolarHBondContact OD1-CA 3.41Å; D514-T517 WeakPolarHBondContact OD1-CB 3.2Å; D514-T517 PolarHBondContact OD1-N 3.01Å; D514-T517 PolarHBondContact OD1-OG1 2.88Å; D514-R520 IonicContact OD2-NH1 3.93Å | ||
| 515 | I | 65.9 | Low | 67.9 | Low | 25 Ų | 25 | 102.4 Ų | 102.4 | 13% | 0.128 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.4 | 178.5 | 59.5 | 169.8 | 0 | 0 | 0 | 113.2 | Y231 L236 W494 P519 | Y231-I515 HydrophobicContact CD2-CG2 3.53Å; Y231-I515 HydrophobicContact CE2-CG2 3.76Å; Y231-I515 HydrophobicContact CG-CG2 3.97Å; L236-I515 HydrophobicContact CD2-CB 4.29Å; L236-I515 HydrophobicContact CD2-CD1 4.44Å; L236-I515 HydrophobicContact CD2-CG2 3.72Å; W494-I515 HydrophobicContact CD2-CD1 4.03Å; W494-I515 HydrophobicContact CE3-CD1 3.94Å; W494-I515 HydrophobicContact CH2-CD1 3.52Å; W494-I515 HydrophobicContact CZ2-CD1 3.58Å; W494-I515 HydrophobicContact CZ3-CD1 3.69Å; I515-P519 VanDerWaalsContact O-CD 3.25Å; I515-P519 WeakPolarHBondContact O-CD 3.39Å; I515-P519 WeakPolarHBondContact O-CG 3.31Å |
| 516 | F | 65.3 | Low | 67.6 | Low | 65 Ų | 65 | 97.5 Ų | 97.5 | 29% | 0.285 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -14.5 | 175.3 | -54.7 | -69 | 0 | 0 | 0 | 111.9 | D514 R520 | D514-F516 PolarHBondContact O-N 2.64Å; D514-F516 VanDerWaalsContact OD1-CA 3.26Å; D514-F516 WeakPolarHBondContact OD1-CA 3.48Å; D514-F516 WeakPolarHBondContact OD1-CB 3.34Å; D514-F516 PolarHBondContact OD1-N 3.1Å; F516-R520 WeakPolarHBondContact O-CB 3.35Å; F516-R520 WeakPolarHBondContact O-CD 3.25Å; F516-R520 WeakPolarHBondContact O-CG 3.03Å; F516-R520 PolarHBondContact O-N 2.81Å |
| 517 | T | 55.2 | Low | 67.2 | Low | 24 Ų | 24 | 97.8 Ų | 97.8 | 15% | 0.147 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -73.7 | -46.3 | -172 | -59.6 | 0 | 0 | 0 | 0 | 110 | F513 D514 R520 M521 | F513-T517 HydrophobicContact CD1-CG2 4.49Å; D514-T517 VanDerWaalsContact CG-OG1 3.24Å; D514-T517 PolarHBondContact N-OG1 2.86Å; D514-T517 VanDerWaalsContact O-CB 3.29Å; D514-T517 WeakPolarHBondContact O-CB 3.45Å; D514-T517 PolarHBondContact O-N 2.7Å; D514-T517 PolarHBondContact O-OG1 2.85Å; D514-T517 WeakPolarHBondContact OD1-CA 3.41Å; D514-T517 WeakPolarHBondContact OD1-CB 3.2Å; D514-T517 PolarHBondContact OD1-N 3.01Å; D514-T517 PolarHBondContact OD1-OG1 2.88Å; T517-R520 PolarHBondContact O-N 2.86Å; T517-M521 HydrophobicContact CG2-CG 4.29Å; T517-M521 HydrophobicContact CG2-SD 4.06Å; T517-M521 VanDerWaalsContact O-CB 3.31Å; T517-M521 WeakPolarHBondContact O-CB 3.37Å; T517-M521 VanDerWaalsContact O-CG 3.25Å; T517-M521 WeakPolarHBondContact O-CG 3.33Å; T517-M521 PolarHBondContact O-N 2.9Å |
| 518 | I | 55.3 | Low | 66.8 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -50.3 | 176.4 | -63.4 | 171.3 | 0 | 0 | 0 | 110.5 | R520 M521 F522 | I518-R520 PolarHBondContact O-N 2.77Å; I518-M521 PolarHBondContact O-N 2.78Å; I518-F522 WeakPolarHBondContact O-CB 3.32Å; I518-F522 PolarHBondContact O-N 2.87Å |
| 519 | P | 60.2 | Low | 66.5 | Low | 76 Ų | 76 | 95.8 Ų | 95.8 | 49% | 0.494 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 172.7 | -26.3 | 34.3 | 0 | 0 | 0 | 114 | I515 F522 F523 | I515-P519 VanDerWaalsContact O-CD 3.25Å; I515-P519 WeakPolarHBondContact O-CD 3.39Å; I515-P519 WeakPolarHBondContact O-CG 3.31Å; P519-F522 PolarHBondContact O-N 3.3Å; P519-F523 WeakPolarHBondContact O-CB 3.22Å; P519-F523 PolarHBondContact O-N 2.9Å |
| 520 | R | 58.8 | Low | 66.7 | Low | 154 Ų | 154 | 93.9 Ų | 93.9 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 176.3 | -79.3 | 168.4 | -175.6 | 158.1 | 2.6 | 111.6 | D514 F516 T517 I518 F523 L524 | D514-R520 IonicContact OD2-NH1 3.93Å; F516-R520 WeakPolarHBondContact O-CB 3.35Å; F516-R520 WeakPolarHBondContact O-CD 3.25Å; F516-R520 WeakPolarHBondContact O-CG 3.03Å; F516-R520 PolarHBondContact O-N 2.81Å; T517-R520 PolarHBondContact O-N 2.86Å; I518-R520 PolarHBondContact O-N 2.77Å; R520-F523 PolarHBondContact O-N 3.44Å; R520-L524 WeakPolarHBondContact O-CB 3.41Å; R520-L524 PolarHBondContact O-N 2.78Å |
| 521 | M | 59.8 | Low | 66.9 | Low | 110 Ų | 110 | 90.5 Ų | 90.5 | 54% | 0.542 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 177.7 | -73.9 | -173.8 | 76.7 | 0 | 0 | 111 | T517 I518 L524 L525 | T517-M521 HydrophobicContact CG2-CG 4.29Å; T517-M521 HydrophobicContact CG2-SD 4.06Å; T517-M521 VanDerWaalsContact O-CB 3.31Å; T517-M521 WeakPolarHBondContact O-CB 3.37Å; T517-M521 VanDerWaalsContact O-CG 3.25Å; T517-M521 WeakPolarHBondContact O-CG 3.33Å; T517-M521 PolarHBondContact O-N 2.9Å; I518-M521 PolarHBondContact O-N 2.78Å; M521-L524 CarbonylContact O-C 3.49Å; M521-L524 PolarHBondContact O-N 2.85Å; M521-L525 VanDerWaalsContact O-CB 3.32Å; M521-L525 WeakPolarHBondContact O-CB 3.43Å; M521-L525 PolarHBondContact O-N 3.18Å |
| 522 | F | 61.8 | Low | 67.3 | Low | 137 Ų | 137 | 89.2 Ų | 89.2 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 174.8 | -123.5 | -88 | 0 | 0 | 0 | 111.6 | I518 P519 L525 L526 | I518-F522 WeakPolarHBondContact O-CB 3.32Å; I518-F522 PolarHBondContact O-N 2.87Å; P519-F522 PolarHBondContact O-N 3.3Å; F522-L525 PolarHBondContact O-N 3.46Å; F522-L526 HydrophobicContact CD1-CD1 4.47Å; F522-L526 WeakPolarHBondContact O-CB 3.47Å; F522-L526 VanDerWaalsContact O-CG 3.28Å; F522-L526 WeakPolarHBondContact O-CG 3.32Å; F522-L526 PolarHBondContact O-N 2.89Å |
| 523 | F | 68.1 | Low | 67.9 | Low | 133 Ų | 133 | 87.5 Ų | 87.5 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 173.9 | -178.7 | -105 | 0 | 0 | 0 | 111.3 | P519 R520 L525 L526 L527 | P519-F523 WeakPolarHBondContact O-CB 3.22Å; P519-F523 PolarHBondContact O-N 2.9Å; R520-F523 PolarHBondContact O-N 3.44Å; F523-L525 VanDerWaalsContact C-N 3.33Å; F523-L525 PolarHBondContact O-N 3.09Å; F523-L526 PolarHBondContact O-N 3.19Å; F523-L527 HydrophobicContact CD1-CD1 3.63Å; F523-L527 HydrophobicContact CD1-CG 4.23Å; F523-L527 HydrophobicContact CE1-CD1 3.31Å; F523-L527 HydrophobicContact CE1-CD2 4.47Å; F523-L527 HydrophobicContact CE1-CG 3.96Å; F523-L527 HydrophobicContact CG-CD1 4.48Å; F523-L527 HydrophobicContact CZ-CD1 3.92Å; F523-L527 HydrophobicContact CZ-CD2 4.27Å; F523-L527 HydrophobicContact CZ-CG 4.12Å; F523-L527 WeakPolarHBondContact O-CB 3.48Å; F523-L527 VanDerWaalsContact O-CG 3.26Å; F523-L527 WeakPolarHBondContact O-CG 3.37Å; F523-L527 PolarHBondContact O-N 2.8Å |
| 524 | L | 69.3 | Low | 68.5 | Low | 102 Ų | 102 | 86.2 Ų | 86.2 | 53% | 0.534 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 173.3 | -163.4 | 91.9 | 0 | 0 | 0 | 111.1 | R520 M521 L527 I528 | R520-L524 WeakPolarHBondContact O-CB 3.41Å; R520-L524 PolarHBondContact O-N 2.78Å; M521-L524 CarbonylContact O-C 3.49Å; M521-L524 PolarHBondContact O-N 2.85Å; L524-L527 WeakPolarHBondContact O-CB 3.35Å; L524-L527 PolarHBondContact O-N 3.29Å; L524-I528 HydrophobicContact CD2-CD1 4.06Å; L524-I528 HydrophobicContact CG-CD1 4.12Å; L524-I528 WeakPolarHBondContact O-CB 3.49Å; L524-I528 WeakPolarHBondContact O-CD1 3.36Å; L524-I528 WeakPolarHBondContact O-CG1 3.37Å; L524-I528 PolarHBondContact O-N 2.97Å |
| 525 | L | 71.5 | Confident | 68.6 | Low | 93 Ų | 93 | 92.7 Ų | 92.7 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 176.1 | -124.1 | 141 | 0 | 0 | 0 | 111.3 | M521 F522 F523 I528 M529 | M521-L525 VanDerWaalsContact O-CB 3.32Å; M521-L525 WeakPolarHBondContact O-CB 3.43Å; M521-L525 PolarHBondContact O-N 3.18Å; F522-L525 PolarHBondContact O-N 3.46Å; F523-L525 VanDerWaalsContact C-N 3.33Å; F523-L525 PolarHBondContact O-N 3.09Å; L525-I528 PolarHBondContact O-N 3Å; L525-M529 HydrophobicContact CD2-CG 4.33Å; L525-M529 HydrophobicContact CD2-SD 4.05Å; L525-M529 VanDerWaalsContact O-CB 3.29Å; L525-M529 WeakPolarHBondContact O-CB 3.45Å; L525-M529 VanDerWaalsContact O-CG 3.23Å; L525-M529 WeakPolarHBondContact O-CG 3.36Å; L525-M529 PolarHBondContact O-N 2.96Å |
| 526 | L | 74.4 | Confident | 69.2 | Low | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.8 | -39.3 | 173.8 | -74.1 | 170.1 | 0 | 0 | 0 | 111.5 | F522 F523 G530 | F522-L526 HydrophobicContact CD1-CD1 4.47Å; F522-L526 WeakPolarHBondContact O-CB 3.47Å; F522-L526 VanDerWaalsContact O-CG 3.28Å; F522-L526 WeakPolarHBondContact O-CG 3.32Å; F522-L526 PolarHBondContact O-N 2.89Å; F523-L526 PolarHBondContact O-N 3.19Å; L526-G530 PolarHBondContact O-N 2.91Å |
| 527 | L | 75 | Confident | 69.9 | Low | 63 Ų | 63 | 101.9 Ų | 101.9 | 33% | 0.33 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -51.2 | 170.8 | -77.2 | 172.4 | 0 | 0 | 0 | 109.9 | F523 L524 M529 G530 F531 | F523-L527 HydrophobicContact CD1-CD1 3.63Å; F523-L527 HydrophobicContact CD1-CG 4.23Å; F523-L527 HydrophobicContact CE1-CD1 3.31Å; F523-L527 HydrophobicContact CE1-CD2 4.47Å; F523-L527 HydrophobicContact CE1-CG 3.96Å; F523-L527 HydrophobicContact CG-CD1 4.48Å; F523-L527 HydrophobicContact CZ-CD1 3.92Å; F523-L527 HydrophobicContact CZ-CD2 4.27Å; F523-L527 HydrophobicContact CZ-CG 4.12Å; F523-L527 WeakPolarHBondContact O-CB 3.48Å; F523-L527 VanDerWaalsContact O-CG 3.26Å; F523-L527 WeakPolarHBondContact O-CG 3.37Å; F523-L527 PolarHBondContact O-N 2.8Å; L524-L527 WeakPolarHBondContact O-CB 3.35Å; L524-L527 PolarHBondContact O-N 3.29Å; L527-M529 PolarHBondContact O-N 2.97Å; L527-G530 PolarHBondContact O-N 2.9Å; L527-F531 HydrophobicContact CB-CD2 4.31Å; L527-F531 HydrophobicContact CD2-CD2 3.94Å; L527-F531 HydrophobicContact CD2-CE2 3.54Å; L527-F531 VanDerWaalsContact O-CB 3.24Å; L527-F531 WeakPolarHBondContact O-CB 3.1Å; L527-F531 VanDerWaalsContact O-CD2 3.22Å; L527-F531 WeakPolarHBondContact O-CD2 3.22Å; L527-F531 PolarHBondContact O-N 3.35Å |
| 528 | I | 75.8 | Confident | 71.2 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 46% | 0.456 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 176.7 | -69.3 | 162.3 | 0 | 0 | 0 | 109.5 | L524 L525 G530 F531 T532 | L524-I528 HydrophobicContact CD2-CD1 4.06Å; L524-I528 HydrophobicContact CG-CD1 4.12Å; L524-I528 WeakPolarHBondContact O-CB 3.49Å; L524-I528 WeakPolarHBondContact O-CD1 3.36Å; L524-I528 WeakPolarHBondContact O-CG1 3.37Å; L524-I528 PolarHBondContact O-N 2.97Å; L525-I528 PolarHBondContact O-N 3Å; I528-G530 VanDerWaalsContact C-N 3.31Å; I528-G530 PolarHBondContact O-N 3.05Å; I528-F531 PolarHBondContact O-N 2.89Å; I528-T532 WeakPolarHBondContact CG2-OG1 3.21Å; I528-T532 WeakPolarHBondContact O-CA 3.22Å; I528-T532 WeakPolarHBondContact O-CB 3.45Å; I528-T532 PolarHBondContact O-N 2.9Å; I528-T532 PolarHBondContact O-OG1 3.34Å |
| 529 | M | 75.4 | Confident | 72.3 | Confident | 123 Ų | 123 | 107.9 Ų | 107.9 | 61% | 0.606 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.4 | -34.1 | 179.1 | -74 | -179.2 | 66.7 | 0 | 0 | 113.4 | L525 L527 P533 | L525-M529 HydrophobicContact CD2-CG 4.33Å; L525-M529 HydrophobicContact CD2-SD 4.05Å; L525-M529 VanDerWaalsContact O-CB 3.29Å; L525-M529 WeakPolarHBondContact O-CB 3.45Å; L525-M529 VanDerWaalsContact O-CG 3.23Å; L525-M529 WeakPolarHBondContact O-CG 3.36Å; L525-M529 PolarHBondContact O-N 2.96Å; L527-M529 PolarHBondContact O-N 2.97Å; M529-P533 WeakPolarHBondContact O-CD 3.37Å; M529-P533 WeakPolarHBondContact O-CG 3.25Å |
| 530 | G | 77.1 | Confident | 73.3 | Confident | 42 Ų | 42 | 111.3 Ų | 111.3 | 43% | 0.433 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76.8 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L526 L527 I528 | L526-G530 PolarHBondContact O-N 2.91Å; L527-G530 PolarHBondContact O-N 2.9Å; I528-G530 VanDerWaalsContact C-N 3.31Å; I528-G530 PolarHBondContact O-N 3.05Å |
| 531 | F | 75.8 | Confident | 74.5 | Confident | 114 Ų | 114 | 109.1 Ų | 109.1 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -89.8 | -26.2 | -176.3 | -80.2 | -81.5 | 0 | 0 | 0 | 113.7 | L527 I528 L534 W535 | L527-F531 HydrophobicContact CB-CD2 4.31Å; L527-F531 HydrophobicContact CD2-CD2 3.94Å; L527-F531 HydrophobicContact CD2-CE2 3.54Å; L527-F531 VanDerWaalsContact O-CB 3.24Å; L527-F531 WeakPolarHBondContact O-CB 3.1Å; L527-F531 VanDerWaalsContact O-CD2 3.22Å; L527-F531 WeakPolarHBondContact O-CD2 3.22Å; L527-F531 PolarHBondContact O-N 3.35Å; I528-F531 PolarHBondContact O-N 2.89Å; F531-L534 HydrophobicContact CD1-CD1 4.27Å; F531-L534 CarbonylContact O-C 3.59Å; F531-L534 WeakPolarHBondContact O-CA 3.26Å; F531-L534 WeakPolarHBondContact O-CB 3.26Å; F531-L534 PolarHBondContact O-N 2.89Å; F531-L534 VanDerWaalsContact O-N 3.11Å; F531-W535 WeakPolarHBondContact O-CB 3.46Å; F531-W535 PolarHBondContact O-N 3.43Å |
| 532 | T | 76.7 | Confident | 75 | Confident | 64 Ų | 64 | 109.6 Ų | 109.6 | 39% | 0.393 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -42.8 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | I528 L534 W535 L536 | I528-T532 WeakPolarHBondContact CG2-OG1 3.21Å; I528-T532 WeakPolarHBondContact O-CA 3.22Å; I528-T532 WeakPolarHBondContact O-CB 3.45Å; I528-T532 PolarHBondContact O-N 2.9Å; I528-T532 PolarHBondContact O-OG1 3.34Å; T532-L534 VanDerWaalsContact C-N 3.34Å; T532-L534 PolarHBondContact O-N 3.35Å; T532-W535 PolarHBondContact O-N 2.83Å; T532-L536 HydrophobicContact CG2-CD1 3.95Å; T532-L536 WeakPolarHBondContact O-CB 3.31Å; T532-L536 WeakPolarHBondContact O-CG 3.5Å; T532-L536 PolarHBondContact O-N 2.81Å |
| 533 | P | 74.9 | Confident | 75.7 | Confident | 78 Ų | 78 | 108.3 Ų | 108.3 | 51% | 0.506 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.8 | -38.5 | 171.7 | -21.5 | 33 | 0 | 0 | 0 | 112.9 | M529 R537 | M529-P533 WeakPolarHBondContact O-CD 3.37Å; M529-P533 WeakPolarHBondContact O-CG 3.25Å; P533-R537 VanDerWaalsContact O-CB 3.28Å; P533-R537 WeakPolarHBondContact O-CB 3.31Å; P533-R537 PolarHBondContact O-N 2.89Å |
| 534 | L | 76.3 | Confident | 76.1 | Confident | 108 Ų | 108 | 106.9 Ų | 106.9 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.8 | -42.7 | 176.1 | -85.8 | 155.5 | 0 | 0 | 0 | 111.8 | F531 T532 R537 F538 | F531-L534 HydrophobicContact CD1-CD1 4.27Å; F531-L534 CarbonylContact O-C 3.59Å; F531-L534 WeakPolarHBondContact O-CA 3.26Å; F531-L534 WeakPolarHBondContact O-CB 3.26Å; F531-L534 PolarHBondContact O-N 2.89Å; F531-L534 VanDerWaalsContact O-N 3.11Å; T532-L534 VanDerWaalsContact C-N 3.34Å; T532-L534 PolarHBondContact O-N 3.35Å; L534-R537 PolarHBondContact O-N 2.8Å; L534-F538 PolarHBondContact O-N 2.92Å |
| 535 | W | 69 | Low | 76.5 | Confident | 159 Ų | 159 | 107.2 Ų | 107.2 | 60% | 0.602 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.5 | -43.8 | 178.1 | -106.7 | 91.4 | 0 | 0 | 0 | 112.7 | F531 T532 R537 F538 L539 | F531-W535 WeakPolarHBondContact O-CB 3.46Å; F531-W535 PolarHBondContact O-N 3.43Å; T532-W535 PolarHBondContact O-N 2.83Å; W535-R537 VanDerWaalsContact C-N 3.28Å; W535-R537 PolarHBondContact O-N 2.8Å; W535-F538 PolarHBondContact O-N 3.44Å; W535-L539 HydrophobicContact CE3-CD1 4.03Å; W535-L539 HydrophobicContact CE3-CG 4.11Å; W535-L539 HydrophobicContact CZ3-CD1 4.43Å; W535-L539 HydrophobicContact CZ3-CD2 4.39Å; W535-L539 HydrophobicContact CZ3-CG 4.38Å; W535-L539 WeakPolarHBondContact O-CG 3.42Å; W535-L539 PolarHBondContact O-N 3.45Å |
| 536 | L | 78.5 | Confident | 76.8 | Confident | 97 Ų | 97 | 108.1 Ų | 108.1 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.3 | -42.3 | 172.9 | -83.7 | 161.2 | 0 | 0 | 0 | 110.8 | T532 L539 L540 | T532-L536 HydrophobicContact CG2-CD1 3.95Å; T532-L536 WeakPolarHBondContact O-CB 3.31Å; T532-L536 WeakPolarHBondContact O-CG 3.5Å; T532-L536 PolarHBondContact O-N 2.81Å; L536-L539 PolarHBondContact O-N 2.88Å; L536-L540 WeakPolarHBondContact O-CB 3.48Å; L536-L540 VanDerWaalsContact O-CG 3.23Å; L536-L540 WeakPolarHBondContact O-CG 3.15Å; L536-L540 PolarHBondContact O-N 3.09Å |
| 537 | R | 79.4 | Confident | 76.9 | Confident | 186 Ų | 186 | 108.2 Ų | 108.2 | 70% | 0.702 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.5 | -43.6 | 176.2 | -162.4 | 177.5 | -174 | -168.4 | 1.4 | 111.5 | P533 L534 W535 L540 T541 | P533-R537 VanDerWaalsContact O-CB 3.28Å; P533-R537 WeakPolarHBondContact O-CB 3.31Å; P533-R537 PolarHBondContact O-N 2.89Å; L534-R537 PolarHBondContact O-N 2.8Å; W535-R537 VanDerWaalsContact C-N 3.28Å; W535-R537 PolarHBondContact O-N 2.8Å; R537-L540 PolarHBondContact O-N 2.93Å; R537-T541 WeakPolarHBondContact O-CG2 3.44Å; R537-T541 PolarHBondContact O-N 3.2Å; R537-T541 PolarHBondContact O-OG1 3.35Å |
| 538 | F | 81.5 | Confident | 77 | Confident | 128 Ų | 128 | 111.2 Ų | 111.2 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.7 | -47.8 | 175.6 | 179.1 | -99.4 | 0 | 0 | 0 | 112.2 | L534 W535 L540 T541 A542 | L534-F538 PolarHBondContact O-N 2.92Å; W535-F538 PolarHBondContact O-N 3.44Å; F538-L540 VanDerWaalsContact C-N 3.31Å; F538-L540 PolarHBondContact O-N 2.97Å; F538-T541 WeakPolarHBondContact CA-OG1 3.38Å; F538-T541 PolarHBondContact O-N 2.78Å; F538-T541 VanDerWaalsContact O-N 3.13Å; F538-T541 PolarHBondContact O-OG1 2.76Å; F538-A542 WeakPolarHBondContact O-CB 3.09Å; F538-A542 PolarHBondContact O-N 3.15Å |
| 539 | L | 78.8 | Confident | 77.1 | Confident | 103 Ų | 103 | 112.8 Ų | 112.8 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.2 | -28.2 | 178.5 | -74.1 | 171 | 0 | 0 | 0 | 114.1 | W535 L536 T541 | W535-L539 HydrophobicContact CE3-CD1 4.03Å; W535-L539 HydrophobicContact CE3-CG 4.11Å; W535-L539 HydrophobicContact CZ3-CD1 4.43Å; W535-L539 HydrophobicContact CZ3-CD2 4.39Å; W535-L539 HydrophobicContact CZ3-CG 4.38Å; W535-L539 WeakPolarHBondContact O-CG 3.42Å; W535-L539 PolarHBondContact O-N 3.45Å; L536-L539 PolarHBondContact O-N 2.88Å; L539-T541 VanDerWaalsContact C-N 3.33Å |
| 540 | L | 82.2 | Confident | 77.2 | Confident | 148 Ų | 148 | 112 Ų | 112 | 78% | 0.775 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80.7 | -15.7 | 174.9 | -71.3 | 168.8 | 0 | 0 | 0 | 112.7 | L536 R537 F538 | L536-L540 WeakPolarHBondContact O-CB 3.48Å; L536-L540 VanDerWaalsContact O-CG 3.23Å; L536-L540 WeakPolarHBondContact O-CG 3.15Å; L536-L540 PolarHBondContact O-N 3.09Å; R537-L540 PolarHBondContact O-N 2.93Å; F538-L540 VanDerWaalsContact C-N 3.31Å; F538-L540 PolarHBondContact O-N 2.97Å |
| 541 | T | 82.9 | Confident | 77.3 | Confident | 109 Ų | 109 | 117.8 Ų | 117.8 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -105.7 | -16.5 | -179.6 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | R537 F538 L539 | R537-T541 WeakPolarHBondContact O-CG2 3.44Å; R537-T541 PolarHBondContact O-N 3.2Å; R537-T541 PolarHBondContact O-OG1 3.35Å; F538-T541 WeakPolarHBondContact CA-OG1 3.38Å; F538-T541 PolarHBondContact O-N 2.78Å; F538-T541 VanDerWaalsContact O-N 3.13Å; F538-T541 PolarHBondContact O-OG1 2.76Å; L539-T541 VanDerWaalsContact C-N 3.33Å |
| 542 | A | 71.2 | Confident | 77.4 | Confident | 120 Ų | 120 | 118.2 Ų | 118.2 | 99% | 0.992 | 62% | 0.619 | S | S | * | * | trans | -91 | 0 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F538 | F538-A542 WeakPolarHBondContact O-CB 3.09Å; F538-A542 PolarHBondContact O-N 3.15Å |
Retrieved 542 of 542 residues in 379 ms
(Link to these results)