| 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 | 89.7 | Confident | 95.8 | Very high | 80 Ų | 80 | 27.1 Ų | 27.1 | 39% | 0.394 | 13% | 0.134 | S | C | . | . | 0 | 158.8 | 0 | -78.9 | 158.5 | 56.3 | 0 | 0 | 108.8 | Q5 W6 H9 S165 G166 | M1-Q5 VanDerWaalsContact CA-OE1 3.24Å; M1-Q5 HydrophobicContact CB-CB 3.98Å; M1-Q5 HydrophobicContact CE-CB 3.94Å; M1-Q5 WeakPolarHBondContact CE-O 3.49Å; M1-Q5 HydrophobicContact CG-CB 4.24Å; M1-W6 HydrophobicContact CE-CD2 3.97Å; M1-W6 HydrophobicContact CE-CE3 4.24Å; M1-W6 HydrophobicContact CE-CG 4.22Å; M1-W6 HydrophobicContact SD-CZ2 4.42Å; M1-H9 HydrophobicContact CE-CB 3.74Å; M1-S165 WeakPolarHBondContact O-CA 3.47Å; M1-G166 PolarHBondContact N-O 3.01Å; M1-G166 PolarHBondContact O-N 2.97Å | |||
| 2 | N | 95.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -86.5 | 167.2 | 167.6 | 72.3 | 9 | 0 | 0 | 0 | 111.7 | A4 Q5 W6 A164 | N2-A4 VanDerWaalsContact C-N 3.27Å; N2-A4 PolarHBondContact O-N 2.86Å; N2-A4 PolarHBondContact OD1-N 2.62Å; N2-Q5 WeakPolarHBondContact O-CB 3.22Å; N2-Q5 PolarHBondContact O-N 3.12Å; N2-Q5 VanDerWaalsContact O-N 3.13Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.41Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.45Å; N2-Q5 PolarHBondContact OD1-N 3.39Å; N2-W6 PolarHBondContact O-N 2.69Å; N2-A164 CarbonylContact C-O 3.59Å; N2-A164 WeakPolarHBondContact CA-O 3.27Å; N2-A164 WeakPolarHBondContact CB-O 3.08Å |
| 3 | G | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.2 | -40.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q5 W6 V7 L131 L134 Q162 A164 | G3-Q5 PolarHBondContact O-N 2.97Å; G3-W6 WeakPolarHBondContact O-CA 3.27Å; G3-W6 WeakPolarHBondContact O-CB 3.5Å; G3-W6 PolarHBondContact O-N 3.13Å; G3-W6 VanDerWaalsContact O-N 3.1Å; G3-V7 WeakPolarHBondContact O-CG2 3.34Å; G3-V7 PolarHBondContact O-N 3.33Å; G3-L131 VanDerWaalsContact CA-CD1 3.44Å; G3-L134 WeakPolarHBondContact O-CD2 3.01Å; G3-Q162 CarbonylContact C-O 3.54Å; G3-Q162 PolarHBondContact N-O 2.91Å; G3-A164 PolarHBondContact N-O 3.06Å |
| 4 | A | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N2 W6 V7 V8 P29 V30 A33 Q162 | N2-A4 VanDerWaalsContact C-N 3.27Å; N2-A4 PolarHBondContact O-N 2.86Å; N2-A4 PolarHBondContact OD1-N 2.62Å; A4-W6 VanDerWaalsContact C-N 3.27Å; A4-W6 PolarHBondContact O-N 2.67Å; A4-V7 WeakPolarHBondContact O-CB 3.47Å; A4-V7 PolarHBondContact O-N 3.35Å; A4-V8 PolarHBondContact O-N 3.15Å; A4-V8 VanDerWaalsContact O-N 3.14Å; A4-P29 HydrophobicContact CB-CB 3.91Å; A4-P29 WeakPolarHBondContact CB-O 3.46Å; A4-V30 HydrophobicContact CB-CG2 4.06Å; A4-A33 HydrophobicContact CB-CB 3.94Å; A4-Q162 HydrophobicContact CB-CB 4.38Å; A4-Q162 PolarHBondContact N-O 2.97Å |
| 5 | Q | 96.5 | Very high | 95.3 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.6 | -34.2 | 174.1 | -72.6 | 168.1 | -20.6 | 0 | 0 | 111.8 | M1 N2 G3 V8 H9 A33 | M1-Q5 VanDerWaalsContact CA-OE1 3.24Å; M1-Q5 HydrophobicContact CB-CB 3.98Å; M1-Q5 HydrophobicContact CE-CB 3.94Å; M1-Q5 WeakPolarHBondContact CE-O 3.49Å; M1-Q5 HydrophobicContact CG-CB 4.24Å; N2-Q5 WeakPolarHBondContact O-CB 3.22Å; N2-Q5 PolarHBondContact O-N 3.12Å; N2-Q5 VanDerWaalsContact O-N 3.13Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.41Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.45Å; N2-Q5 PolarHBondContact OD1-N 3.39Å; G3-Q5 PolarHBondContact O-N 2.97Å; Q5-V8 PolarHBondContact O-N 2.97Å; Q5-H9 VanDerWaalsContact O-CB 3.31Å; Q5-H9 WeakPolarHBondContact O-CB 3.46Å; Q5-H9 PolarHBondContact O-N 3.02Å; Q5-A33 HydrophobicContact CG-CB 4.12Å |
| 6 | W | 95.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 8% | 0.076 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 173 | -84.3 | 113.6 | 0 | 0 | 0 | 112.8 | M1 N2 G3 A4 H9 A10 L134 G166 L168 | M1-W6 HydrophobicContact CE-CD2 3.97Å; M1-W6 HydrophobicContact CE-CE3 4.24Å; M1-W6 HydrophobicContact CE-CG 4.22Å; M1-W6 HydrophobicContact SD-CZ2 4.42Å; N2-W6 PolarHBondContact O-N 2.69Å; G3-W6 WeakPolarHBondContact O-CA 3.27Å; G3-W6 WeakPolarHBondContact O-CB 3.5Å; G3-W6 PolarHBondContact O-N 3.13Å; G3-W6 VanDerWaalsContact O-N 3.1Å; A4-W6 VanDerWaalsContact C-N 3.27Å; A4-W6 PolarHBondContact O-N 2.67Å; W6-H9 AromaticContact CE3-CD2 3.94Å; W6-H9 AromaticContact CZ3-CD2 3.69Å; W6-H9 PolarHBondContact O-N 3.27Å; W6-A10 WeakPolarHBondContact O-CB 2.81Å; W6-A10 PolarHBondContact O-N 2.83Å; W6-L134 HydrophobicContact CB-CD2 3.96Å; W6-G166 PolarHBondContact NE1-O 3.14Å; W6-L168 HydrophobicContact CD2-CB 4.25Å; W6-L168 HydrophobicContact CD2-CD1 3.97Å; W6-L168 HydrophobicContact CD2-CG 4.39Å; W6-L168 HydrophobicContact CG-CD1 3.86Å; W6-L168 HydrophobicContact CH2-CB 4.03Å; W6-L168 WeakPolarHBondContact CH2-O 3.12Å; W6-L168 HydrophobicContact CZ2-CB 3.56Å; W6-L168 HydrophobicContact CZ2-CG 4.19Å; W6-L168 VanDerWaalsContact CZ2-O 3.22Å; W6-L168 WeakPolarHBondContact CZ2-O 3.45Å |
| 7 | V | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.6 | -51.1 | 172.5 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | G3 A4 H9 A10 L11 V30 I95 L134 M138 I157 | G3-V7 WeakPolarHBondContact O-CG2 3.34Å; G3-V7 PolarHBondContact O-N 3.33Å; A4-V7 WeakPolarHBondContact O-CB 3.47Å; A4-V7 PolarHBondContact O-N 3.35Å; V7-H9 VanDerWaalsContact C-N 3.31Å; V7-H9 PolarHBondContact O-N 2.93Å; V7-A10 PolarHBondContact O-N 2.73Å; V7-L11 HydrophobicContact CG1-CD1 4.31Å; V7-L11 WeakPolarHBondContact O-CG 3.44Å; V7-L11 PolarHBondContact O-N 3.05Å; V7-V30 HydrophobicContact CB-CG2 4.43Å; V7-V30 HydrophobicContact CG1-CG1 4.35Å; V7-V30 HydrophobicContact CG2-CG2 4.34Å; V7-I95 HydrophobicContact CG1-CD1 3.97Å; V7-L134 HydrophobicContact CG2-CD1 4.14Å; V7-L134 HydrophobicContact CG2-CD2 4.01Å; V7-M138 HydrophobicContact CG1-CE 4.4Å; V7-I157 HydrophobicContact CG2-CD1 3.55Å |
| 8 | V | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | -178.6 | -178 | 0 | 0 | 0 | 0 | 111.9 | A4 Q5 R12 A33 L34 V39 | A4-V8 PolarHBondContact O-N 3.15Å; A4-V8 VanDerWaalsContact O-N 3.14Å; Q5-V8 PolarHBondContact O-N 2.97Å; V8-R12 PolarHBondContact O-N 2.81Å; V8-A33 HydrophobicContact CG2-CB 3.84Å; V8-L34 HydrophobicContact CG1-CD2 4.22Å; V8-L34 HydrophobicContact CG2-CD2 3.82Å; V8-L34 HydrophobicContact CG2-CG 3.96Å; V8-V39 HydrophobicContact CG1-CB 4.4Å; V8-V39 HydrophobicContact CG1-CG2 3.92Å |
| 9 | H | 94.7 | Very high | 95.8 | Very high | 65 Ų | 65 | 38.4 Ų | 38.4 | 30% | 0.301 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 171.2 | -179.8 | 78.8 | 0 | 0 | 0 | 112 | M1 Q5 W6 V7 L11 R12 A13 | M1-H9 HydrophobicContact CE-CB 3.74Å; Q5-H9 VanDerWaalsContact O-CB 3.31Å; Q5-H9 WeakPolarHBondContact O-CB 3.46Å; Q5-H9 PolarHBondContact O-N 3.02Å; W6-H9 AromaticContact CE3-CD2 3.94Å; W6-H9 AromaticContact CZ3-CD2 3.69Å; W6-H9 PolarHBondContact O-N 3.27Å; V7-H9 VanDerWaalsContact C-N 3.31Å; V7-H9 PolarHBondContact O-N 2.93Å; H9-L11 VanDerWaalsContact C-N 3.34Å; H9-L11 PolarHBondContact O-N 3.18Å; H9-R12 PolarHBondContact O-N 2.75Å; H9-A13 PolarHBondContact O-N 3.3Å |
| 10 | A | 94.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 13% | 0.132 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W6 V7 R12 A13 Q14 M138 | W6-A10 WeakPolarHBondContact O-CB 2.81Å; W6-A10 PolarHBondContact O-N 2.83Å; V7-A10 PolarHBondContact O-N 2.73Å; A10-R12 PolarHBondContact O-N 2.95Å; A10-A13 PolarHBondContact O-N 3.02Å; A10-Q14 WeakPolarHBondContact O-CG 3.44Å; A10-Q14 PolarHBondContact O-N 2.9Å; A10-M138 HydrophobicContact CB-CB 3.76Å; A10-M138 HydrophobicContact CB-CE 4.49Å; A10-M138 HydrophobicContact CB-CG 4.09Å |
| 11 | L | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.1 | -48.5 | 173.7 | -71.6 | 175.2 | 0 | 0 | 0 | 111.7 | V7 H9 A13 Q14 G15 V16 V19 V39 V66 I95 M138 F142 | V7-L11 HydrophobicContact CG1-CD1 4.31Å; V7-L11 WeakPolarHBondContact O-CG 3.44Å; V7-L11 PolarHBondContact O-N 3.05Å; H9-L11 VanDerWaalsContact C-N 3.34Å; H9-L11 PolarHBondContact O-N 3.18Å; L11-A13 PolarHBondContact O-N 3.1Å; L11-Q14 CarbonylContact O-C 3.51Å; L11-Q14 PolarHBondContact O-N 3.24Å; L11-G15 PolarHBondContact O-N 3.37Å; L11-V16 HydrophobicContact CB-CB 4.14Å; L11-V16 HydrophobicContact CD2-CB 4.35Å; L11-V16 HydrophobicContact CD2-CG1 4.34Å; L11-V16 HydrophobicContact CD2-CG2 4.24Å; L11-V16 VanDerWaalsContact O-CB 3.23Å; L11-V16 WeakPolarHBondContact O-CB 3.28Å; L11-V16 PolarHBondContact O-N 2.89Å; L11-V19 HydrophobicContact CD1-CG1 4.08Å; L11-V39 HydrophobicContact CB-CG2 4.25Å; L11-V66 HydrophobicContact CD2-CG1 3.95Å; L11-V66 HydrophobicContact CD2-CG2 4.22Å; L11-I95 HydrophobicContact CD1-CD1 4.3Å; L11-I95 HydrophobicContact CD2-CD1 3.99Å; L11-I95 HydrophobicContact CG-CD1 4.43Å; L11-M138 HydrophobicContact CD2-CE 4.45Å; L11-F142 HydrophobicContact CD2-CE2 4.2Å; L11-F142 HydrophobicContact CD2-CZ 3.85Å |
| 12 | R | 95.4 | Very high | 96.5 | Very high | 121 Ų | 121 | 34.9 Ų | 34.9 | 46% | 0.457 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.1 | -71.9 | -173.6 | -67.4 | 173.3 | -1.7 | 112.8 | V8 H9 A10 Q14 G15 G37 V39 | V8-R12 PolarHBondContact O-N 2.81Å; H9-R12 PolarHBondContact O-N 2.75Å; A10-R12 PolarHBondContact O-N 2.95Å; R12-Q14 PolarHBondContact O-N 3.47Å; R12-G15 WeakPolarHBondContact O-CA 3.36Å; R12-G15 PolarHBondContact O-N 3Å; R12-G37 WeakPolarHBondContact CD-O 3.45Å; R12-G37 PolarHBondContact NE-O 2.93Å; R12-G37 VanDerWaalsContact NE-O 3.09Å; R12-G37 PolarHBondContact NH1-O 3.37Å; R12-V39 HydrophobicContact CG-CG2 3.47Å; R12-V39 VanDerWaalsContact CG-CG2 3.47Å |
| 13 | A | 93 | Very high | 96.6 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 62% | 0.62 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.2 | -32.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H9 A10 L11 G15 | H9-A13 PolarHBondContact O-N 3.3Å; A10-A13 PolarHBondContact O-N 3.02Å; L11-A13 PolarHBondContact O-N 3.1Å; A13-G15 PolarHBondContact O-N 3.38Å |
| 14 | Q | 93.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 38% | 0.379 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 6.6 | 173.2 | -64.3 | -64.8 | -18.7 | 0 | 0 | 113.7 | A10 L11 R12 V16 F142 | A10-Q14 WeakPolarHBondContact O-CG 3.44Å; A10-Q14 PolarHBondContact O-N 2.9Å; L11-Q14 CarbonylContact O-C 3.51Å; L11-Q14 PolarHBondContact O-N 3.24Å; R12-Q14 PolarHBondContact O-N 3.47Å; Q14-V16 VanDerWaalsContact C-N 3.26Å; Q14-V16 HydrophobicContact CB-CG2 4.27Å; Q14-V16 PolarHBondContact O-N 2.67Å; Q14-F142 HydrophobicContact CB-CD1 3.75Å; Q14-F142 HydrophobicContact CB-CD2 4.49Å; Q14-F142 HydrophobicContact CB-CE1 3.75Å; Q14-F142 HydrophobicContact CB-CE2 4.47Å; Q14-F142 HydrophobicContact CB-CG 4.14Å; Q14-F142 HydrophobicContact CB-CZ 4.13Å; Q14-F142 HydrophobicContact CG-CB 4.19Å; Q14-F142 HydrophobicContact CG-CD1 3.85Å; Q14-F142 HydrophobicContact CG-CD2 3.87Å; Q14-F142 HydrophobicContact CG-CE1 4.17Å; Q14-F142 HydrophobicContact CG-CE2 4.17Å; Q14-F142 HydrophobicContact CG-CG 3.69Å; Q14-F142 HydrophobicContact CG-CZ 4.32Å |
| 15 | G | 94.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 14.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L11 R12 A13 N17 | L11-G15 PolarHBondContact O-N 3.37Å; R12-G15 WeakPolarHBondContact O-CA 3.36Å; R12-G15 PolarHBondContact O-N 3Å; A13-G15 PolarHBondContact O-N 3.38Å; G15-N17 PolarHBondContact O-N 2.91Å |
| 16 | V | 97.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | trans | -75.3 | 120.4 | 175.7 | -178 | 0 | 0 | 0 | 0 | 108.9 | L11 Q14 T18 V19 V39 V66 F142 | L11-V16 HydrophobicContact CB-CB 4.14Å; L11-V16 HydrophobicContact CD2-CB 4.35Å; L11-V16 HydrophobicContact CD2-CG1 4.34Å; L11-V16 HydrophobicContact CD2-CG2 4.24Å; L11-V16 VanDerWaalsContact O-CB 3.23Å; L11-V16 WeakPolarHBondContact O-CB 3.28Å; L11-V16 PolarHBondContact O-N 2.89Å; Q14-V16 VanDerWaalsContact C-N 3.26Å; Q14-V16 HydrophobicContact CB-CG2 4.27Å; Q14-V16 PolarHBondContact O-N 2.67Å; V16-T18 WeakPolarHBondContact CG1-O 3.34Å; V16-V19 HydrophobicContact CG1-CG1 3.88Å; V16-V39 HydrophobicContact CG1-CG1 4.38Å; V16-V66 HydrophobicContact CG1-CB 4.36Å; V16-V66 HydrophobicContact CG1-CG2 3.98Å; V16-V66 HydrophobicContact CG2-CG2 3.88Å; V16-F142 HydrophobicContact CG2-CE1 3.6Å; V16-F142 HydrophobicContact CG2-CZ 3.73Å | ||
| 17 | N | 95.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 34 Ų | 34 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | trans | -108.9 | -17.1 | 177 | 61.8 | 24.4 | 0 | 0 | 0 | 112.8 | G15 E40 Y57 | G15-N17 PolarHBondContact O-N 2.91Å; N17-E40 PolarHBondContact O-N 3.25Å; N17-Y57 PolarHBondContact OD1-OH 3.41Å | ||
| 18 | T | 97.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 135.3 | -175.9 | -49.5 | 0 | 0 | 0 | 0 | 109.8 | V16 F20 E40 V415 | V16-T18 WeakPolarHBondContact CG1-O 3.34Å; T18-F20 HydrophobicContact CG2-CZ 4.4Å; T18-E40 CarbonylContact C-O 3.25Å; T18-E40 VanDerWaalsContact CA-O 3.25Å; T18-E40 WeakPolarHBondContact CA-O 3.41Å; T18-V415 HydrophobicContact CG2-CG1 3.9Å |
| 19 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149.8 | 172.2 | -60 | 0 | 0 | 0 | 0 | 109.8 | L11 V16 L34 V39 E40 H41 L42 V66 I68 | L11-V19 HydrophobicContact CD1-CG1 4.08Å; V16-V19 HydrophobicContact CG1-CG1 3.88Å; V19-L34 HydrophobicContact CG2-CD1 4.36Å; V19-L34 HydrophobicContact CG2-CD2 4.47Å; V19-V39 HydrophobicContact CG1-CG1 3.73Å; V19-V39 HydrophobicContact CG2-CG1 4.26Å; V19-E40 PolarHBondContact N-O 2.89Å; V19-H41 HydrophobicContact CG2-CB 4.01Å; V19-L42 PolarHBondContact O-N 3.24Å; V19-V66 HydrophobicContact CB-CB 4.49Å; V19-V66 HydrophobicContact CB-CG1 4.25Å; V19-V66 HydrophobicContact CG1-CB 3.91Å; V19-V66 HydrophobicContact CG1-CG1 3.62Å; V19-I68 HydrophobicContact CB-CD1 4Å; V19-I68 HydrophobicContact CB-CG1 4.26Å; V19-I68 HydrophobicContact CG1-CD1 4.19Å; V19-I68 HydrophobicContact CG2-CD1 3.77Å; V19-I68 HydrophobicContact CG2-CG1 4.43Å |
| 20 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133 | 177.5 | -54.7 | -88.4 | 0 | 0 | 0 | 109 | T18 L42 A50 A53 A54 Y57 V66 C67 I68 V415 | T18-F20 HydrophobicContact CG2-CZ 4.4Å; F20-L42 HydrophobicContact CD1-CB 4.08Å; F20-L42 HydrophobicContact CD1-CD2 3.96Å; F20-L42 HydrophobicContact CD1-CG 4.38Å; F20-L42 HydrophobicContact CE1-CB 4.43Å; F20-L42 HydrophobicContact CE1-CD2 3.85Å; F20-A50 HydrophobicContact CB-CB 4.06Å; F20-A50 WeakPolarHBondContact CB-O 3.35Å; F20-A53 HydrophobicContact CB-CB 4.3Å; F20-A53 HydrophobicContact CD1-CB 3.45Å; F20-A53 VanDerWaalsContact CD1-CB 3.45Å; F20-A53 HydrophobicContact CD2-CB 4.47Å; F20-A53 HydrophobicContact CE1-CB 3.83Å; F20-A53 HydrophobicContact CG-CB 3.82Å; F20-A54 HydrophobicContact CD2-CB 3.9Å; F20-Y57 HydrophobicContact CE2-CD2 4.12Å; F20-Y57 AromaticContact CE2-CG 3.86Å; F20-Y57 HydrophobicContact CE2-CG 3.86Å; F20-Y57 AromaticContact CZ-CD2 3.86Å; F20-Y57 HydrophobicContact CZ-CD2 3.86Å; F20-Y57 AromaticContact CZ-CG 3.99Å; F20-Y57 HydrophobicContact CZ-CG 3.99Å; F20-V66 PolarHBondContact N-O 2.87Å; F20-C67 CarbonylContact O-C 3.46Å; F20-C67 WeakPolarHBondContact O-CA 3.4Å; F20-I68 PolarHBondContact O-N 3.27Å; F20-V415 HydrophobicContact CE1-CB 4.48Å; F20-V415 HydrophobicContact CE1-CG1 4.48Å; F20-V415 HydrophobicContact CE1-CG2 4.45Å; F20-V415 HydrophobicContact CZ-CB 4.46Å; F20-V415 HydrophobicContact CZ-CG1 4.28Å |
| 21 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | -179.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | H41 L42 C44 I68 | G21-H41 VanDerWaalsContact C-NE2 3.3Å; G21-H41 VanDerWaalsContact CA-NE2 3.33Å; G21-H41 WeakPolarHBondContact CA-NE2 3.46Å; G21-H41 PolarHBondContact N-NE2 3.43Å; G21-H41 PolarHBondContact O-NE2 2.97Å; G21-L42 PolarHBondContact N-O 3.3Å; G21-L42 VanDerWaalsContact N-O 3.07Å; G21-C44 PolarHBondContact O-N 3.29Å; G21-I68 WeakPolarHBondContact CA-O 3.29Å |
| 22 | Y | 98.6 | Very high | 97.3 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | trans | -137.6 | 127.8 | 172.8 | -151.1 | -78.6 | 0 | 0 | 0 | 110.9 | Y31 L43 C44 I68 | Y22-Y31 WeakPolarHBondContact CA-OH 3.42Å; Y22-Y31 PolarHBondContact N-OH 3.49Å; Y22-Y31 PolarHBondContact O-OH 2.83Å; Y22-Y31 VanDerWaalsContact O-OH 3.09Å; Y22-L43 HydrophobicContact CD2-CD1 3.97Å; Y22-L43 HydrophobicContact CE2-CD1 4.29Å; Y22-L43 HydrophobicContact CG-CD1 4.28Å; Y22-C44 VanDerWaalsContact CD2-O 3.25Å; Y22-C44 WeakPolarHBondContact CD2-O 3.23Å; Y22-C44 WeakPolarHBondContact CE2-O 3.37Å; Y22-I68 PolarHBondContact N-O 2.99Å; Y22-I68 VanDerWaalsContact N-O 3.15Å | ||
| 23 | P | 98.2 | Very high | 97.5 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | trans | -75.3 | 152.9 | -176.8 | 28.9 | -34.7 | 0 | 0 | 0 | 112.6 | Y31 L43 | P23-Y31 VanDerWaalsContact CA-CZ 3.49Å; P23-Y31 HydrophobicContact CB-CD1 3.8Å; P23-Y31 HydrophobicContact CB-CD2 4.15Å; P23-Y31 HydrophobicContact CB-CE1 3.68Å; P23-Y31 HydrophobicContact CB-CE2 4.06Å; P23-Y31 HydrophobicContact CB-CG 4.02Å; P23-Y31 HydrophobicContact CG-CE1 4.26Å; P23-L43 VanDerWaalsContact CD-CD1 3.41Å; P23-L43 HydrophobicContact CG-CD1 4.36Å | ||
| 24 | G | 98 | Very high | 97.7 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 22% | 0.216 | 20% | 0.203 | C | C | . | . | trans | -164 | 179.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A26 I27 M28 | G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 3.23Å; G24-I27 PolarHBondContact O-N 3.07Å; G24-M28 PolarHBondContact O-N 3.3Å | ||
| 25 | G | 97.8 | Very high | 97.8 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 32% | 0.32 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -31.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T70 K159 | G25-T70 PolarHBondContact N-OG1 3.43Å; G25-K159 PolarHBondContact O-NZ 3.09Å |
| 26 | A | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -26.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G24 T70 S71 Q162 | G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 3.23Å; A26-T70 PolarHBondContact N-OG1 3.27Å; A26-S71 VanDerWaalsContact CB-OG 3.29Å; A26-S71 WeakPolarHBondContact CB-OG 3.39Å; A26-Q162 PolarHBondContact O-NE2 3.37Å; A26-Q162 PolarHBondContact O-OE1 3Å |
| 27 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 0.8 | 179.7 | -162.6 | 54.2 | 0 | 0 | 0 | 112.9 | G24 P29 V30 Y31 I68 | G24-I27 PolarHBondContact O-N 3.07Å; I27-P29 VanDerWaalsContact C-N 3.31Å; I27-V30 HydrophobicContact CD1-CB 3.73Å; I27-V30 HydrophobicContact CD1-CG1 4.36Å; I27-V30 HydrophobicContact CD1-CG2 3.61Å; I27-V30 HydrophobicContact CG1-CB 4.1Å; I27-V30 PolarHBondContact O-N 3.17Å; I27-Y31 HydrophobicContact CG1-CD2 4.29Å; I27-Y31 HydrophobicContact CG1-CE2 4.23Å; I27-Y31 HydrophobicContact CG2-CD2 3.79Å; I27-Y31 HydrophobicContact CG2-CE2 3.65Å; I27-Y31 PolarHBondContact O-N 2.82Å; I27-I68 HydrophobicContact CD1-CG2 4.41Å; I27-I68 HydrophobicContact CG1-CG2 3.75Å |
| 28 | M | 98.3 | Very high | 97.3 | Very high | 112 Ų | 112 | 44.5 Ų | 44.5 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -50.2 | -41 | -177.3 | -173.4 | -175.8 | -62 | 0 | 0 | 114.1 | G24 V30 Y31 D32 | G24-M28 PolarHBondContact O-N 3.3Å; M28-V30 VanDerWaalsContact C-N 3.31Å; M28-V30 PolarHBondContact O-N 2.94Å; M28-Y31 PolarHBondContact O-N 3.45Å; M28-Y31 VanDerWaalsContact O-N 3.1Å; M28-D32 PolarHBondContact O-N 3.25Å |
| 29 | P | 98.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.4 | -39.7 | 175.5 | -25.6 | 35.1 | 0 | 0 | 0 | 113.9 | A4 I27 Y31 D32 A33 K159 Q162 L163 | A4-P29 HydrophobicContact CB-CB 3.91Å; A4-P29 WeakPolarHBondContact CB-O 3.46Å; I27-P29 VanDerWaalsContact C-N 3.31Å; P29-Y31 VanDerWaalsContact C-N 3.35Å; P29-D32 WeakPolarHBondContact O-CB 3.49Å; P29-D32 PolarHBondContact O-N 3.35Å; P29-A33 PolarHBondContact O-N 3.38Å; P29-K159 HydrophobicContact CG-CG 4.3Å; P29-Q162 HydrophobicContact CB-CB 3.81Å; P29-Q162 HydrophobicContact CG-CB 4.13Å; P29-L163 HydrophobicContact CB-CD2 4.1Å; P29-L163 HydrophobicContact CB-CG 4.39Å; P29-L163 HydrophobicContact CG-CD1 4.49Å; P29-L163 HydrophobicContact CG-CD2 3.82Å; P29-L163 HydrophobicContact CG-CG 3.87Å |
| 30 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A4 V7 I27 M28 D32 A33 L34 I68 Q162 | A4-V30 HydrophobicContact CB-CG2 4.06Å; V7-V30 HydrophobicContact CB-CG2 4.43Å; V7-V30 HydrophobicContact CG1-CG1 4.35Å; V7-V30 HydrophobicContact CG2-CG2 4.34Å; I27-V30 HydrophobicContact CD1-CB 3.73Å; I27-V30 HydrophobicContact CD1-CG1 4.36Å; I27-V30 HydrophobicContact CD1-CG2 3.61Å; I27-V30 HydrophobicContact CG1-CB 4.1Å; I27-V30 PolarHBondContact O-N 3.17Å; M28-V30 VanDerWaalsContact C-N 3.31Å; M28-V30 PolarHBondContact O-N 2.94Å; V30-D32 VanDerWaalsContact C-N 3.35Å; V30-A33 PolarHBondContact O-N 3.28Å; V30-L34 HydrophobicContact CG1-CD1 4.27Å; V30-L34 HydrophobicContact CG1-CG 4.47Å; V30-L34 WeakPolarHBondContact O-CG 3.45Å; V30-L34 PolarHBondContact O-N 3.14Å; V30-I68 HydrophobicContact CG1-CD1 4.44Å; V30-Q162 HydrophobicContact CG2-CG 4.22Å |
| 31 | Y | 98.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.3 | -35.4 | 175 | -85.1 | -95.5 | 0 | 0 | 0 | 113.4 | Y22 P23 I27 M28 P29 L34 Y35 H41 I68 | Y22-Y31 WeakPolarHBondContact CA-OH 3.42Å; Y22-Y31 PolarHBondContact N-OH 3.49Å; Y22-Y31 PolarHBondContact O-OH 2.83Å; Y22-Y31 VanDerWaalsContact O-OH 3.09Å; P23-Y31 VanDerWaalsContact CA-CZ 3.49Å; P23-Y31 HydrophobicContact CB-CD1 3.8Å; P23-Y31 HydrophobicContact CB-CD2 4.15Å; P23-Y31 HydrophobicContact CB-CE1 3.68Å; P23-Y31 HydrophobicContact CB-CE2 4.06Å; P23-Y31 HydrophobicContact CB-CG 4.02Å; P23-Y31 HydrophobicContact CG-CE1 4.26Å; I27-Y31 HydrophobicContact CG1-CD2 4.29Å; I27-Y31 HydrophobicContact CG1-CE2 4.23Å; I27-Y31 HydrophobicContact CG2-CD2 3.79Å; I27-Y31 HydrophobicContact CG2-CE2 3.65Å; I27-Y31 PolarHBondContact O-N 2.82Å; M28-Y31 PolarHBondContact O-N 3.45Å; M28-Y31 VanDerWaalsContact O-N 3.1Å; P29-Y31 VanDerWaalsContact C-N 3.35Å; Y31-L34 PolarHBondContact O-N 3.48Å; Y31-Y35 PolarHBondContact O-N 2.98Å; Y31-H41 AromaticContact CE1-CD2 3.58Å; Y31-H41 AromaticContact CE1-CE1 3.68Å; Y31-H41 AromaticContact CE1-NE2 3.36Å; Y31-H41 WeakPolarHBondContact CE1-NE2 3.41Å; Y31-H41 AromaticContact CZ-CD2 3.9Å; Y31-H41 AromaticContact CZ-NE2 3.56Å; Y31-H41 PolarHBondContact OH-NE2 3.31Å; Y31-I68 HydrophobicContact CE2-CG2 3.84Å |
| 32 | D | 97.8 | Very high | 97.2 | Very high | 118 Ų | 118 | 50.7 Ų | 50.7 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.3 | -47.1 | 172.1 | -172.9 | 69.1 | 0 | 0 | 0 | 110.4 | M28 P29 V30 L34 Y35 | M28-D32 PolarHBondContact O-N 3.25Å; P29-D32 WeakPolarHBondContact O-CB 3.49Å; P29-D32 PolarHBondContact O-N 3.35Å; V30-D32 VanDerWaalsContact C-N 3.35Å; D32-L34 VanDerWaalsContact C-N 3.3Å; D32-L34 PolarHBondContact O-N 3.11Å; D32-Y35 WeakPolarHBondContact O-CB 3.38Å; D32-Y35 PolarHBondContact O-N 2.89Å |
| 33 | A | 97.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -24.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A4 Q5 V8 P29 V30 Y35 G37 | A4-A33 HydrophobicContact CB-CB 3.94Å; Q5-A33 HydrophobicContact CG-CB 4.12Å; V8-A33 HydrophobicContact CG2-CB 3.84Å; P29-A33 PolarHBondContact O-N 3.38Å; V30-A33 PolarHBondContact O-N 3.28Å; A33-Y35 VanDerWaalsContact C-N 3.33Å; A33-G37 VanDerWaalsContact O-CA 3.25Å; A33-G37 WeakPolarHBondContact O-CA 3.47Å; A33-G37 PolarHBondContact O-N 3.04Å |
| 34 | L | 97.7 | Very high | 97.2 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72 | -26.1 | 175.9 | -78 | 169.4 | 0 | 0 | 0 | 112.6 | V8 V19 V30 Y31 D32 D36 G37 V39 H41 I68 | V8-L34 HydrophobicContact CG1-CD2 4.22Å; V8-L34 HydrophobicContact CG2-CD2 3.82Å; V8-L34 HydrophobicContact CG2-CG 3.96Å; V19-L34 HydrophobicContact CG2-CD1 4.36Å; V19-L34 HydrophobicContact CG2-CD2 4.47Å; V30-L34 HydrophobicContact CG1-CD1 4.27Å; V30-L34 HydrophobicContact CG1-CG 4.47Å; V30-L34 WeakPolarHBondContact O-CG 3.45Å; V30-L34 PolarHBondContact O-N 3.14Å; Y31-L34 PolarHBondContact O-N 3.48Å; D32-L34 VanDerWaalsContact C-N 3.3Å; D32-L34 PolarHBondContact O-N 3.11Å; L34-D36 VanDerWaalsContact C-N 3.29Å; L34-D36 PolarHBondContact O-N 3.18Å; L34-G37 PolarHBondContact O-N 3.42Å; L34-V39 HydrophobicContact CD2-CB 3.82Å; L34-V39 HydrophobicContact CD2-CG1 4.12Å; L34-H41 HydrophobicContact CD1-CB 4.42Å; L34-I68 HydrophobicContact CD1-CD1 3.98Å |
| 35 | Y | 95.4 | Very high | 97.2 | Very high | 214 Ų | 214 | 48.1 Ų | 48.1 | 84% | 0.839 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.7 | -171.7 | -174.4 | -96.7 | 0 | 0 | 0 | 113.3 | Y31 D32 A33 | Y31-Y35 PolarHBondContact O-N 2.98Å; D32-Y35 WeakPolarHBondContact O-CB 3.38Å; D32-Y35 PolarHBondContact O-N 2.89Å; A33-Y35 VanDerWaalsContact C-N 3.33Å |
| 36 | D | 90.7 | Very high | 97.2 | Very high | 138 Ų | 138 | 49.4 Ų | 49.4 | 74% | 0.738 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 7.6 | 177.1 | 62.1 | -8.6 | 0 | 0 | 0 | 112.9 | L34 G38 | L34-D36 VanDerWaalsContact C-N 3.29Å; L34-D36 PolarHBondContact O-N 3.18Å; D36-G38 VanDerWaalsContact C-N 3.32Å; D36-G38 PolarHBondContact O-N 3.31Å |
| 37 | G | 93.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 50 Ų | 50 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -79 | -5.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R12 A33 L34 | R12-G37 WeakPolarHBondContact CD-O 3.45Å; R12-G37 PolarHBondContact NE-O 2.93Å; R12-G37 VanDerWaalsContact NE-O 3.09Å; R12-G37 PolarHBondContact NH1-O 3.37Å; A33-G37 VanDerWaalsContact O-CA 3.25Å; A33-G37 WeakPolarHBondContact O-CA 3.47Å; A33-G37 PolarHBondContact O-N 3.04Å; L34-G37 PolarHBondContact O-N 3.42Å |
| 38 | G | 94.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 79.6 | 17.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D36 | D36-G38 VanDerWaalsContact C-N 3.32Å; D36-G38 PolarHBondContact O-N 3.31Å |
| 39 | V | 97.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | trans | -117.4 | 121.3 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | V8 L11 R12 V16 V19 L34 | V8-V39 HydrophobicContact CG1-CB 4.4Å; V8-V39 HydrophobicContact CG1-CG2 3.92Å; L11-V39 HydrophobicContact CB-CG2 4.25Å; R12-V39 HydrophobicContact CG-CG2 3.47Å; R12-V39 VanDerWaalsContact CG-CG2 3.47Å; V16-V39 HydrophobicContact CG1-CG1 4.38Å; V19-V39 HydrophobicContact CG1-CG1 3.73Å; V19-V39 HydrophobicContact CG2-CG1 4.26Å; L34-V39 HydrophobicContact CD2-CB 3.82Å; L34-V39 HydrophobicContact CD2-CG1 4.12Å | ||
| 40 | E | 96.5 | Very high | 97.3 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.9 | 179.7 | -170.8 | 175.5 | -175 | 0 | 0 | 110.5 | N17 T18 V19 K444 | N17-E40 PolarHBondContact O-N 3.25Å; T18-E40 CarbonylContact C-O 3.25Å; T18-E40 VanDerWaalsContact CA-O 3.25Å; T18-E40 WeakPolarHBondContact CA-O 3.41Å; V19-E40 PolarHBondContact N-O 2.89Å; E40-K444 IonicContact OE1-NZ 3.05Å; E40-K444 PolarHBondContact OE1-NZ 3.35Å; E40-K444 IonicContact OE2-NZ 3.72Å; E40-K444 PolarHBondContact OE2-NZ 3.34Å |
| 41 | H | 97.6 | Very high | 97.3 | Very high | 40 Ų | 40 | 46 Ų | 46 | 19% | 0.185 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.4 | 172.2 | 172 | -82.1 | 0 | 0 | 0 | 111.1 | V19 G21 Y31 L34 L43 | V19-H41 HydrophobicContact CG2-CB 4.01Å; G21-H41 VanDerWaalsContact C-NE2 3.3Å; G21-H41 VanDerWaalsContact CA-NE2 3.33Å; G21-H41 WeakPolarHBondContact CA-NE2 3.46Å; G21-H41 PolarHBondContact N-NE2 3.43Å; G21-H41 PolarHBondContact O-NE2 2.97Å; Y31-H41 AromaticContact CE1-CD2 3.58Å; Y31-H41 AromaticContact CE1-CE1 3.68Å; Y31-H41 AromaticContact CE1-NE2 3.36Å; Y31-H41 WeakPolarHBondContact CE1-NE2 3.41Å; Y31-H41 AromaticContact CZ-CD2 3.9Å; Y31-H41 AromaticContact CZ-NE2 3.56Å; Y31-H41 PolarHBondContact OH-NE2 3.31Å; L34-H41 HydrophobicContact CD1-CB 4.42Å; H41-L43 VanDerWaalsContact CE1-CA 3.47Å; H41-L43 WeakPolarHBondContact CE1-CA 3.48Å; H41-L43 PolarHBondContact CE1-N 2.75Å |
| 42 | L | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 114.8 | 168.9 | -176.7 | 57.3 | 0 | 0 | 0 | 110.9 | V19 F20 G21 C44 V411 V415 T440 K444 | V19-L42 PolarHBondContact O-N 3.24Å; F20-L42 HydrophobicContact CD1-CB 4.08Å; F20-L42 HydrophobicContact CD1-CD2 3.96Å; F20-L42 HydrophobicContact CD1-CG 4.38Å; F20-L42 HydrophobicContact CE1-CB 4.43Å; F20-L42 HydrophobicContact CE1-CD2 3.85Å; G21-L42 PolarHBondContact N-O 3.3Å; G21-L42 VanDerWaalsContact N-O 3.07Å; L42-C44 PolarHBondContact O-N 2.78Å; L42-V411 HydrophobicContact CD2-CG1 3.67Å; L42-V415 HydrophobicContact CD2-CG2 3.8Å; L42-T440 HydrophobicContact CD1-CG2 4.1Å; L42-T440 HydrophobicContact CD2-CG2 4.1Å; L42-T440 HydrophobicContact CG-CG2 4.03Å; L42-K444 HydrophobicContact CD1-CB 3.78Å; L42-K444 HydrophobicContact CD1-CD 4.35Å; L42-K444 HydrophobicContact CD1-CG 4.07Å |
| 43 | L | 98.6 | Very high | 97.4 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 104.2 | 178 | -178.2 | 67.4 | 0 | 0 | 0 | 111.6 | Y22 P23 H41 R45 | Y22-L43 HydrophobicContact CD2-CD1 3.97Å; Y22-L43 HydrophobicContact CE2-CD1 4.29Å; Y22-L43 HydrophobicContact CG-CD1 4.28Å; P23-L43 VanDerWaalsContact CD-CD1 3.41Å; P23-L43 HydrophobicContact CG-CD1 4.36Å; H41-L43 VanDerWaalsContact CE1-CA 3.47Å; H41-L43 WeakPolarHBondContact CE1-CA 3.48Å; H41-L43 PolarHBondContact CE1-N 2.75Å; L43-R45 PolarHBondContact O-NH2 3.04Å |
| 44 | C | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -71.3 | 168.4 | 168.7 | -65.5 | 0 | 0 | 0 | 0 | 111.2 | G21 Y22 L42 A50 T440 | G21-C44 PolarHBondContact O-N 3.29Å; Y22-C44 VanDerWaalsContact CD2-O 3.25Å; Y22-C44 WeakPolarHBondContact CD2-O 3.23Å; Y22-C44 WeakPolarHBondContact CE2-O 3.37Å; L42-C44 PolarHBondContact O-N 2.78Å; C44-A50 HydrophobicContact CB-CB 3.99Å; C44-A50 VanDerWaalsContact SG-CA 3.53Å; C44-T440 WeakPolarHBondContact CA-OG1 3.3Å | ||
| 45 | R | 98.5 | Very high | 97.5 | Very high | 82 Ų | 82 | 37.7 Ų | 37.7 | 31% | 0.309 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -91.4 | -19.4 | 175 | -71.8 | -47.7 | 99.5 | -170.7 | 5 | 112.9 | L43 Q436 E437 T440 | L43-R45 PolarHBondContact O-NH2 3.04Å; R45-Q436 HydrophobicContact CB-CB 3.87Å; R45-Q436 HydrophobicContact CB-CG 3.51Å; R45-Q436 HydrophobicContact CG-CB 4.29Å; R45-Q436 HydrophobicContact CG-CG 4.42Å; R45-Q436 WeakPolarHBondContact CG-O 3.49Å; R45-E437 WeakPolarHBondContact CA-OE1 3.26Å; R45-E437 WeakPolarHBondContact CB-OE1 3.21Å; R45-E437 PolarHBondContact N-OE1 3.08Å; R45-E437 PolarHBondContact N-OE2 2.69Å; R45-T440 PolarHBondContact N-OG1 3.47Å |
| 46 | H | 98.8 | Very high | 97.7 | Very high | 59 Ų | 59 | 27.5 Ų | 27.5 | 27% | 0.273 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -144.7 | 147.8 | 174 | -165.3 | -93.6 | 0 | 0 | 0 | 110.2 | Q48 G49 A50 N77 E437 | H46-Q48 VanDerWaalsContact C-N 3.27Å; H46-Q48 VanDerWaalsContact ND1-CB 3.3Å; H46-Q48 WeakPolarHBondContact ND1-CB 3.44Å; H46-Q48 PolarHBondContact ND1-N 3.08Å; H46-Q48 PolarHBondContact O-N 2.67Å; H46-G49 WeakPolarHBondContact O-CA 3.5Å; H46-G49 PolarHBondContact O-N 2.89Å; H46-A50 PolarHBondContact O-N 3.15Å; H46-A50 VanDerWaalsContact O-N 3.07Å; H46-N77 VanDerWaalsContact CE1-CG 3.44Å; H46-N77 PolarHBondContact CE1-ND2 2.96Å; H46-N77 PolarHBondContact NE2-ND2 3.04Å; H46-E437 PolarHBondContact N-OE1 2.77Å |
| 47 | E | 98.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 9% | 0.089 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.5 | -31.5 | -178.8 | -63.4 | 84.1 | 172 | 0 | 0 | 112.4 | G49 A50 A51 A69 N77 L78 | E47-G49 VanDerWaalsContact C-N 3.26Å; E47-G49 PolarHBondContact O-N 3.08Å; E47-A50 WeakPolarHBondContact O-CA 3.46Å; E47-A50 WeakPolarHBondContact O-CB 3.31Å; E47-A50 PolarHBondContact O-N 2.69Å; E47-A51 PolarHBondContact O-N 3Å; E47-A69 HydrophobicContact CB-CB 4.47Å; E47-A69 HydrophobicContact CG-CB 3.88Å; E47-N77 HydrophobicContact CB-CB 3.72Å; E47-N77 HydrophobicContact CG-CB 4.45Å; E47-N77 PolarHBondContact OE2-ND2 3Å; E47-L78 HydrophobicContact CB-CD2 3.82Å; E47-L78 HydrophobicContact CB-CG 4.3Å; E47-L78 WeakPolarHBondContact O-CD2 2.98Å |
| 48 | Q | 98.8 | Very high | 98.3 | Very high | 38 Ų | 38 | 21.3 Ų | 21.3 | 18% | 0.178 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.9 | -43.6 | 168.5 | -175.9 | -178.5 | -30.6 | 0 | 0 | 111.4 | H46 A50 A51 M52 N77 N434 | H46-Q48 VanDerWaalsContact C-N 3.27Å; H46-Q48 VanDerWaalsContact ND1-CB 3.3Å; H46-Q48 WeakPolarHBondContact ND1-CB 3.44Å; H46-Q48 PolarHBondContact ND1-N 3.08Å; H46-Q48 PolarHBondContact O-N 2.67Å; Q48-A50 VanDerWaalsContact C-N 3.29Å; Q48-A50 PolarHBondContact O-N 2.79Å; Q48-A51 PolarHBondContact O-N 3.1Å; Q48-M52 HydrophobicContact CG-CE 3.81Å; Q48-M52 HydrophobicContact CG-SD 3.93Å; Q48-M52 VanDerWaalsContact NE2-CE 3.28Å; Q48-M52 WeakPolarHBondContact O-CB 3.31Å; Q48-M52 WeakPolarHBondContact O-CG 3.32Å; Q48-M52 PolarHBondContact O-N 3.14Å; Q48-N77 WeakPolarHBondContact CA-O 3.37Å; Q48-N77 PolarHBondContact N-O 2.82Å; Q48-N434 PolarHBondContact NE2-ND2 2.74Å |
| 49 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | H46 E47 A53 P408 | H46-G49 WeakPolarHBondContact O-CA 3.5Å; H46-G49 PolarHBondContact O-N 2.89Å; E47-G49 VanDerWaalsContact C-N 3.26Å; E47-G49 PolarHBondContact O-N 3.08Å; G49-A53 VanDerWaalsContact O-CB 3.24Å; G49-A53 WeakPolarHBondContact O-CB 3.29Å; G49-A53 PolarHBondContact O-N 3.23Å; G49-P408 WeakPolarHBondContact O-CB 3.05Å |
| 50 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.1 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F20 C44 H46 E47 Q48 A53 A54 C67 | F20-A50 HydrophobicContact CB-CB 4.06Å; F20-A50 WeakPolarHBondContact CB-O 3.35Å; C44-A50 HydrophobicContact CB-CB 3.99Å; C44-A50 VanDerWaalsContact SG-CA 3.53Å; H46-A50 PolarHBondContact O-N 3.15Å; H46-A50 VanDerWaalsContact O-N 3.07Å; E47-A50 WeakPolarHBondContact O-CA 3.46Å; E47-A50 WeakPolarHBondContact O-CB 3.31Å; E47-A50 PolarHBondContact O-N 2.69Å; Q48-A50 VanDerWaalsContact C-N 3.29Å; Q48-A50 PolarHBondContact O-N 2.79Å; A50-A53 PolarHBondContact O-N 3.44Å; A50-A54 WeakPolarHBondContact O-CB 3.32Å; A50-A54 PolarHBondContact O-N 2.78Å; A50-C67 HydrophobicContact CB-CB 4.43Å |
| 51 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E47 Q48 A54 I55 L78 | E47-A51 PolarHBondContact O-N 3Å; Q48-A51 PolarHBondContact O-N 3.1Å; A51-A54 WeakPolarHBondContact O-CB 3.45Å; A51-A54 PolarHBondContact O-N 2.92Å; A51-I55 WeakPolarHBondContact O-CG1 3.41Å; A51-I55 PolarHBondContact O-N 3.42Å; A51-L78 HydrophobicContact CB-CD2 3.94Å |
| 52 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.1 | -33.6 | 178.1 | -70 | 170.5 | 169.6 | 0 | 0 | 113 | Q48 I55 G56 T402 F405 P408 N434 | Q48-M52 HydrophobicContact CG-CE 3.81Å; Q48-M52 HydrophobicContact CG-SD 3.93Å; Q48-M52 VanDerWaalsContact NE2-CE 3.28Å; Q48-M52 WeakPolarHBondContact O-CB 3.31Å; Q48-M52 WeakPolarHBondContact O-CG 3.32Å; Q48-M52 PolarHBondContact O-N 3.14Å; M52-I55 WeakPolarHBondContact O-CB 3.33Å; M52-I55 PolarHBondContact O-N 3.09Å; M52-G56 PolarHBondContact O-N 3.13Å; M52-T402 HydrophobicContact CE-CG2 3.28Å; M52-F405 HydrophobicContact CE-CB 4.43Å; M52-F405 HydrophobicContact CG-CD2 4.24Å; M52-F405 HydrophobicContact SD-CB 4.48Å; M52-P408 HydrophobicContact CB-CB 3.66Å; M52-P408 HydrophobicContact CB-CG 3.57Å; M52-P408 HydrophobicContact CG-CG 4.26Å; M52-P408 HydrophobicContact SD-CG 3.67Å; M52-N434 PolarHBondContact SD-ND2 2.94Å |
| 53 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | F20 G49 A50 I55 G56 Y57 P408 V411 G412 | F20-A53 HydrophobicContact CB-CB 4.3Å; F20-A53 HydrophobicContact CD1-CB 3.45Å; F20-A53 VanDerWaalsContact CD1-CB 3.45Å; F20-A53 HydrophobicContact CD2-CB 4.47Å; F20-A53 HydrophobicContact CE1-CB 3.83Å; F20-A53 HydrophobicContact CG-CB 3.82Å; G49-A53 VanDerWaalsContact O-CB 3.24Å; G49-A53 WeakPolarHBondContact O-CB 3.29Å; G49-A53 PolarHBondContact O-N 3.23Å; A50-A53 PolarHBondContact O-N 3.44Å; A53-I55 VanDerWaalsContact C-N 3.3Å; A53-I55 PolarHBondContact O-N 3.36Å; A53-G56 PolarHBondContact O-N 3.38Å; A53-Y57 WeakPolarHBondContact O-CB 3.31Å; A53-Y57 PolarHBondContact O-N 2.88Å; A53-P408 WeakPolarHBondContact CA-O 3.48Å; A53-P408 WeakPolarHBondContact CB-O 3.35Å; A53-V411 HydrophobicContact CB-CG1 4.34Å; A53-G412 WeakPolarHBondContact O-CA 3.25Å |
| 54 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F20 A50 A51 Y57 A58 G65 C67 V92 | F20-A54 HydrophobicContact CD2-CB 3.9Å; A50-A54 WeakPolarHBondContact O-CB 3.32Å; A50-A54 PolarHBondContact O-N 2.78Å; A51-A54 WeakPolarHBondContact O-CB 3.45Å; A51-A54 PolarHBondContact O-N 2.92Å; A54-Y57 PolarHBondContact O-N 2.98Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 3.32Å; A54-G65 WeakPolarHBondContact O-CA 3.41Å; A54-C67 HydrophobicContact CB-CB 4.05Å; A54-V92 HydrophobicContact CB-CG1 4.43Å |
| 55 | I | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 172.8 | -72.1 | 168.2 | 0 | 0 | 0 | 111.7 | A51 M52 A53 Y57 A58 R59 G81 D84 A85 I90 V92 F405 | A51-I55 WeakPolarHBondContact O-CG1 3.41Å; A51-I55 PolarHBondContact O-N 3.42Å; M52-I55 WeakPolarHBondContact O-CB 3.33Å; M52-I55 PolarHBondContact O-N 3.09Å; A53-I55 VanDerWaalsContact C-N 3.3Å; A53-I55 PolarHBondContact O-N 3.36Å; I55-Y57 VanDerWaalsContact C-N 3.31Å; I55-Y57 PolarHBondContact O-N 2.86Å; I55-A58 PolarHBondContact O-N 3.47Å; I55-R59 HydrophobicContact CG2-CG 4.39Å; I55-R59 WeakPolarHBondContact O-CB 3.5Å; I55-R59 WeakPolarHBondContact O-CG 3.41Å; I55-R59 PolarHBondContact O-N 2.89Å; I55-G81 WeakPolarHBondContact CD1-O 3.47Å; I55-D84 HydrophobicContact CD1-CB 4.13Å; I55-A85 HydrophobicContact CD1-CB 3.92Å; I55-A85 HydrophobicContact CG1-CB 3.96Å; I55-I90 HydrophobicContact CB-CD1 4.45Å; I55-I90 HydrophobicContact CB-CG2 4.49Å; I55-I90 HydrophobicContact CG1-CD1 4.48Å; I55-I90 HydrophobicContact CG1-CG2 4.41Å; I55-I90 HydrophobicContact CG2-CD1 3.36Å; I55-I90 HydrophobicContact CG2-CG2 4.23Å; I55-V92 HydrophobicContact CG1-CG2 3.93Å; I55-F405 HydrophobicContact CB-CE2 4.4Å; I55-F405 HydrophobicContact CD1-CE2 4.41Å; I55-F405 HydrophobicContact CG2-CE2 3.6Å; I55-F405 HydrophobicContact CG2-CZ 3.76Å |
| 56 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M52 A53 A60 A409 | M52-G56 PolarHBondContact O-N 3.13Å; A53-G56 PolarHBondContact O-N 3.38Å; G56-A60 VanDerWaalsContact O-CB 3.25Å; G56-A60 WeakPolarHBondContact O-CB 3.43Å; G56-A60 PolarHBondContact O-N 3.15Å; G56-A409 WeakPolarHBondContact CA-O 3.49Å |
| 57 | Y | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 16.7 Ų | 16.7 | 6% | 0.059 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 174.5 | -177.6 | -85.1 | 0 | 0 | 0 | 111.9 | N17 F20 A53 A54 I55 A60 T61 V415 A416 | N17-Y57 PolarHBondContact OD1-OH 3.41Å; F20-Y57 HydrophobicContact CE2-CD2 4.12Å; F20-Y57 AromaticContact CE2-CG 3.86Å; F20-Y57 HydrophobicContact CE2-CG 3.86Å; F20-Y57 AromaticContact CZ-CD2 3.86Å; F20-Y57 HydrophobicContact CZ-CD2 3.86Å; F20-Y57 AromaticContact CZ-CG 3.99Å; F20-Y57 HydrophobicContact CZ-CG 3.99Å; A53-Y57 WeakPolarHBondContact O-CB 3.31Å; A53-Y57 PolarHBondContact O-N 2.88Å; A54-Y57 PolarHBondContact O-N 2.98Å; I55-Y57 VanDerWaalsContact C-N 3.31Å; I55-Y57 PolarHBondContact O-N 2.86Å; Y57-A60 PolarHBondContact O-N 3.3Å; Y57-T61 HydrophobicContact CD1-CG2 4.41Å; Y57-T61 HydrophobicContact CE1-CG2 4.11Å; Y57-T61 HydrophobicContact CE2-CG2 4.29Å; Y57-T61 WeakPolarHBondContact O-CB 3.44Å; Y57-T61 WeakPolarHBondContact O-CG2 3.47Å; Y57-T61 PolarHBondContact O-N 2.88Å; Y57-T61 VanDerWaalsContact O-N 3.07Å; Y57-T61 PolarHBondContact O-OG1 3.28Å; Y57-V415 HydrophobicContact CD2-CG1 4.27Å; Y57-V415 HydrophobicContact CE2-CG1 4.37Å; Y57-A416 HydrophobicContact CD2-CB 3.63Å; Y57-A416 HydrophobicContact CE2-CB 3.95Å; Y57-A416 HydrophobicContact CG-CB 4.22Å |
| 58 | A | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 3% | 0.025 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A54 I55 A60 T61 G62 K63 I90 P91 | A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 3.32Å; I55-A58 PolarHBondContact O-N 3.47Å; A58-A60 VanDerWaalsContact C-N 3.33Å; A58-A60 PolarHBondContact O-N 3.39Å; A58-T61 PolarHBondContact O-N 3.46Å; A58-G62 WeakPolarHBondContact O-CA 3.27Å; A58-G62 PolarHBondContact O-N 2.63Å; A58-K63 WeakPolarHBondContact CA-O 3.5Å; A58-K63 VanDerWaalsContact CB-O 3.23Å; A58-K63 WeakPolarHBondContact CB-O 3.49Å; A58-I90 HydrophobicContact CB-CG2 3.7Å; A58-P91 HydrophobicContact CB-CG 4.46Å |
| 59 | R | 98.2 | Very high | 98.3 | Very high | 36 Ų | 36 | 14 Ų | 14 | 14% | 0.136 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.4 | -36.1 | 178.3 | -74.8 | -86 | -68.8 | -94.1 | 4.6 | 112.9 | I55 I90 E392 F394 I395 T396 | I55-R59 HydrophobicContact CG2-CG 4.39Å; I55-R59 WeakPolarHBondContact O-CB 3.5Å; I55-R59 WeakPolarHBondContact O-CG 3.41Å; I55-R59 PolarHBondContact O-N 2.89Å; R59-I90 HydrophobicContact CG-CD1 3.86Å; R59-I90 HydrophobicContact CG-CG1 4.41Å; R59-I90 HydrophobicContact CG-CG2 4.2Å; R59-E392 VanDerWaalsContact O-CB 3.3Å; R59-E392 WeakPolarHBondContact O-CB 3.41Å; R59-F394 PolarHBondContact NH2-O 2.99Å; R59-I395 HydrophobicContact CB-CD1 3.85Å; R59-I395 HydrophobicContact CB-CG1 3.96Å; R59-I395 HydrophobicContact CB-CG2 3.97Å; R59-I395 HydrophobicContact CG-CG2 4.22Å; R59-T396 PolarHBondContact NH1-O 3.38Å; R59-T396 VanDerWaalsContact NH1-O 3.13Å |
| 60 | A | 97.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 7% | 0.074 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -78.3 | -24 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G56 Y57 A58 I395 A413 A416 R417 | G56-A60 VanDerWaalsContact O-CB 3.25Å; G56-A60 WeakPolarHBondContact O-CB 3.43Å; G56-A60 PolarHBondContact O-N 3.15Å; Y57-A60 PolarHBondContact O-N 3.3Å; A58-A60 VanDerWaalsContact C-N 3.33Å; A58-A60 PolarHBondContact O-N 3.39Å; A60-I395 HydrophobicContact CB-CD1 3.96Å; A60-A413 HydrophobicContact CB-CB 4.01Å; A60-A416 HydrophobicContact CB-CB 3.74Å; A60-R417 HydrophobicContact CB-CG 4.38Å |
| 61 | T | 96.1 | Very high | 98.2 | Very high | 46 Ų | 46 | 14.4 Ų | 14.4 | 28% | 0.282 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -109.3 | -22.3 | -175.9 | 57.7 | 0 | 0 | 0 | 0 | 114.8 | Y57 A58 K63 A416 | Y57-T61 HydrophobicContact CD1-CG2 4.41Å; Y57-T61 HydrophobicContact CE1-CG2 4.11Å; Y57-T61 HydrophobicContact CE2-CG2 4.29Å; Y57-T61 WeakPolarHBondContact O-CB 3.44Å; Y57-T61 WeakPolarHBondContact O-CG2 3.47Å; Y57-T61 PolarHBondContact O-N 2.88Å; Y57-T61 VanDerWaalsContact O-N 3.07Å; Y57-T61 PolarHBondContact O-OG1 3.28Å; A58-T61 PolarHBondContact O-N 3.46Å; T61-K63 PolarHBondContact O-N 3.01Å; T61-K63 WeakPolarHBondContact OG1-CB 3.32Å; T61-K63 PolarHBondContact OG1-N 2.85Å; T61-A416 HydrophobicContact CG2-CB 3.33Å |
| 62 | G | 94.3 | Very high | 98.2 | Very high | 50 Ų | 50 | 14.6 Ų | 14.6 | 52% | 0.515 | 9% | 0.086 | S | C | . | . | S | Bend | trans | 72.3 | 6.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A58 | A58-G62 WeakPolarHBondContact O-CA 3.27Å; A58-G62 PolarHBondContact O-N 2.63Å |
| 63 | K | 96.5 | Very high | 98.2 | Very high | 115 Ų | 115 | 17.7 Ų | 17.7 | 50% | 0.5 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -97.9 | 169.2 | 176.9 | -58.7 | -179.9 | 178.9 | -177.9 | 0 | 111.1 | A58 T61 G65 | A58-K63 WeakPolarHBondContact CA-O 3.5Å; A58-K63 VanDerWaalsContact CB-O 3.23Å; A58-K63 WeakPolarHBondContact CB-O 3.49Å; T61-K63 PolarHBondContact O-N 3.01Å; T61-K63 WeakPolarHBondContact OG1-CB 3.32Å; T61-K63 PolarHBondContact OG1-N 2.85Å; K63-G65 PolarHBondContact O-N 2.95Å |
| 64 | T | 98.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 17.7 Ų | 17.7 | 10% | 0.098 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 126.5 | 173.3 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | P91 V93 F142 A145 C146 | T64-P91 WeakPolarHBondContact CA-O 3.36Å; T64-P91 HydrophobicContact CG2-CB 4.46Å; T64-V93 HydrophobicContact CG2-CB 4.2Å; T64-V93 HydrophobicContact CG2-CG2 3.72Å; T64-F142 HydrophobicContact CG2-CD1 4.03Å; T64-F142 HydrophobicContact CG2-CE1 3.89Å; T64-A145 HydrophobicContact CG2-CB 4.43Å; T64-C146 PolarHBondContact OG1-SG 2.89Å |
| 65 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 139.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A54 K63 P91 V92 V93 | A54-G65 WeakPolarHBondContact O-CA 3.41Å; K63-G65 PolarHBondContact O-N 2.95Å; G65-P91 PolarHBondContact N-O 2.84Å; G65-V92 CarbonylContact O-C 3.59Å; G65-V92 WeakPolarHBondContact O-CA 3.42Å; G65-V93 PolarHBondContact O-N 3.47Å |
| 66 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124.7 | 179 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | L11 V16 V19 F20 I68 V93 I95 F142 | L11-V66 HydrophobicContact CD2-CG1 3.95Å; L11-V66 HydrophobicContact CD2-CG2 4.22Å; V16-V66 HydrophobicContact CG1-CB 4.36Å; V16-V66 HydrophobicContact CG1-CG2 3.98Å; V16-V66 HydrophobicContact CG2-CG2 3.88Å; V19-V66 HydrophobicContact CB-CB 4.49Å; V19-V66 HydrophobicContact CB-CG1 4.25Å; V19-V66 HydrophobicContact CG1-CB 3.91Å; V19-V66 HydrophobicContact CG1-CG1 3.62Å; F20-V66 PolarHBondContact N-O 2.87Å; V66-I68 HydrophobicContact CG1-CG1 4.46Å; V66-V93 WeakPolarHBondContact CA-O 3.35Å; V66-I95 HydrophobicContact CG1-CD1 4.22Å; V66-F142 HydrophobicContact CG2-CE1 4.18Å; V66-F142 HydrophobicContact CG2-CZ 3.8Å |
| 67 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 145.1 | 171.4 | 60.5 | 0 | 0 | 0 | 0 | 112 | F20 A50 A54 L78 V93 A94 I95 | F20-C67 CarbonylContact O-C 3.46Å; F20-C67 WeakPolarHBondContact O-CA 3.4Å; A50-C67 HydrophobicContact CB-CB 4.43Å; A54-C67 HydrophobicContact CB-CB 4.05Å; C67-L78 HydrophobicContact CB-CD2 4.44Å; C67-V93 PolarHBondContact N-O 2.91Å; C67-V93 VanDerWaalsContact N-O 3.14Å; C67-A94 WeakPolarHBondContact O-CA 3.36Å; C67-I95 PolarHBondContact O-N 2.72Å |
| 68 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.1 | -178.3 | -54.2 | -175.9 | 0 | 0 | 0 | 110.2 | V19 F20 G21 Y22 I27 V30 Y31 L34 V66 I95 | V19-I68 HydrophobicContact CB-CD1 4Å; V19-I68 HydrophobicContact CB-CG1 4.26Å; V19-I68 HydrophobicContact CG1-CD1 4.19Å; V19-I68 HydrophobicContact CG2-CD1 3.77Å; V19-I68 HydrophobicContact CG2-CG1 4.43Å; F20-I68 PolarHBondContact O-N 3.27Å; G21-I68 WeakPolarHBondContact CA-O 3.29Å; Y22-I68 PolarHBondContact N-O 2.99Å; Y22-I68 VanDerWaalsContact N-O 3.15Å; I27-I68 HydrophobicContact CD1-CG2 4.41Å; I27-I68 HydrophobicContact CG1-CG2 3.75Å; V30-I68 HydrophobicContact CG1-CD1 4.44Å; Y31-I68 HydrophobicContact CE2-CG2 3.84Å; L34-I68 HydrophobicContact CD1-CD1 3.98Å; V66-I68 HydrophobicContact CG1-CG1 4.46Å; I68-I95 VanDerWaalsContact CA-O 3.32Å; I68-I95 WeakPolarHBondContact CA-O 3.49Å; I68-I95 HydrophobicContact CG1-CB 4.31Å |
| 69 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 161.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E47 G74 L78 I95 T96 G97 | E47-A69 HydrophobicContact CB-CB 4.47Å; E47-A69 HydrophobicContact CG-CB 3.88Å; A69-G74 WeakPolarHBondContact CB-O 3.44Å; A69-L78 HydrophobicContact CB-CD1 3.64Å; A69-L78 HydrophobicContact CB-CD2 4.35Å; A69-L78 HydrophobicContact CB-CG 4Å; A69-I95 PolarHBondContact N-O 2.78Å; A69-T96 HydrophobicContact CB-CG2 4.42Å; A69-T96 WeakPolarHBondContact O-CA 3.4Å; A69-G97 PolarHBondContact O-N 2.85Å |
| 70 | T | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | trans | -78.4 | 175.1 | 168.9 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | G25 A26 G74 A75 | G25-T70 PolarHBondContact N-OG1 3.43Å; A26-T70 PolarHBondContact N-OG1 3.27Å; T70-G74 CarbonylContact O-C 3.6Å; T70-A75 PolarHBondContact O-N 3.5Å | ||
| 71 | S | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 171.8 | 175.5 | 71.6 | 0 | 0 | 0 | 0 | 113.4 | A26 P73 G74 G97 Q110 | A26-S71 VanDerWaalsContact CB-OG 3.29Å; A26-S71 WeakPolarHBondContact CB-OG 3.39Å; S71-P73 VanDerWaalsContact O-CD 3.26Å; S71-P73 WeakPolarHBondContact O-CD 3.41Å; S71-P73 VanDerWaalsContact O-N 3.16Å; S71-G74 PolarHBondContact O-N 2.83Å; S71-G97 WeakPolarHBondContact CA-O 3.49Å; S71-G97 WeakPolarHBondContact CB-O 3.2Å; S71-G97 PolarHBondContact N-O 2.91Å; S71-Q110 CarbonylContact C-O 3.31Å; S71-Q110 WeakPolarHBondContact CB-O 3.47Å; S71-Q110 WeakPolarHBondContact OG-CB 3.31Å; S71-Q110 PolarHBondContact OG-O 3.17Å |
| 72 | G | 98.2 | Very high | 98.3 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | -117.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G74 A75 T76 Q110 | G72-G74 VanDerWaalsContact C-N 3.29Å; G72-G74 PolarHBondContact O-N 3.15Å; G72-A75 PolarHBondContact O-N 3.32Å; G72-T76 PolarHBondContact O-N 3.07Å; G72-T76 PolarHBondContact O-OG1 3.3Å; G72-Q110 VanDerWaalsContact CA-O 3.28Å; G72-Q110 WeakPolarHBondContact CA-O 3.28Å; G72-Q110 PolarHBondContact N-O 3.24Å |
| 73 | P | 98.5 | Very high | 98.5 | Very high | 65 Ų | 65 | 20.8 Ų | 20.8 | 42% | 0.422 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.1 | -34.5 | -175.6 | 25.9 | -35.2 | 0 | 0 | 0 | 113.6 | S71 A75 T76 N77 | S71-P73 VanDerWaalsContact O-CD 3.26Å; S71-P73 WeakPolarHBondContact O-CD 3.41Å; S71-P73 VanDerWaalsContact O-N 3.16Å; P73-A75 VanDerWaalsContact C-N 3.34Å; P73-A75 PolarHBondContact O-N 3.44Å; P73-T76 WeakPolarHBondContact CA-OG1 3.36Å; P73-T76 PolarHBondContact O-N 3.44Å; P73-T76 PolarHBondContact O-OG1 3.01Å; P73-T76 VanDerWaalsContact O-OG1 3.09Å; P73-N77 VanDerWaalsContact O-CB 3.29Å; P73-N77 WeakPolarHBondContact O-CB 3.42Å; P73-N77 PolarHBondContact O-N 2.93Å; P73-N77 PolarHBondContact O-ND2 3.45Å; P73-N77 PolarHBondContact O-OD1 3.44Å |
| 74 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A69 T70 S71 G72 N77 | A69-G74 WeakPolarHBondContact CB-O 3.44Å; T70-G74 CarbonylContact O-C 3.6Å; S71-G74 PolarHBondContact O-N 2.83Å; G72-G74 VanDerWaalsContact C-N 3.29Å; G72-G74 PolarHBondContact O-N 3.15Å; G74-N77 PolarHBondContact O-N 2.93Å |
| 75 | A | 98.3 | Very high | 98.7 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.1 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T70 G72 P73 N77 L78 T96 V114 | T70-A75 PolarHBondContact O-N 3.5Å; G72-A75 PolarHBondContact O-N 3.32Å; P73-A75 VanDerWaalsContact C-N 3.34Å; P73-A75 PolarHBondContact O-N 3.44Å; A75-N77 VanDerWaalsContact C-N 3.27Å; A75-N77 PolarHBondContact O-N 3.31Å; A75-L78 WeakPolarHBondContact O-CB 3.36Å; A75-L78 PolarHBondContact O-N 3Å; A75-L78 VanDerWaalsContact O-N 3.14Å; A75-T96 HydrophobicContact CB-CG2 3.77Å; A75-V114 HydrophobicContact CB-CB 4.18Å; A75-V114 HydrophobicContact CB-CG2 3.77Å |
| 76 | T | 98.5 | Very high | 98.6 | Very high | 54 Ų | 54 | 16.8 Ų | 16.8 | 33% | 0.331 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -65.8 | -30.7 | 178.7 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | G72 P73 L78 I79 V112 L117 | G72-T76 PolarHBondContact O-N 3.07Å; G72-T76 PolarHBondContact O-OG1 3.3Å; P73-T76 WeakPolarHBondContact CA-OG1 3.36Å; P73-T76 PolarHBondContact O-N 3.44Å; P73-T76 PolarHBondContact O-OG1 3.01Å; P73-T76 VanDerWaalsContact O-OG1 3.09Å; T76-L78 PolarHBondContact O-N 3.43Å; T76-I79 WeakPolarHBondContact O-CB 3.4Å; T76-I79 WeakPolarHBondContact O-CG1 3.42Å; T76-I79 PolarHBondContact O-N 3.27Å; T76-V112 HydrophobicContact CG2-CG1 4.11Å; T76-V112 HydrophobicContact CG2-CG2 4.09Å; T76-L117 HydrophobicContact CG2-CD1 3.85Å |
| 77 | N | 98.7 | Very high | 98.6 | Very high | 48 Ų | 48 | 20 Ų | 20 | 26% | 0.257 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -14.4 | 176.6 | -76.4 | -9.8 | 0 | 0 | 0 | 113.7 | H46 E47 Q48 P73 G74 A75 | H46-N77 VanDerWaalsContact CE1-CG 3.44Å; H46-N77 PolarHBondContact CE1-ND2 2.96Å; H46-N77 PolarHBondContact NE2-ND2 3.04Å; E47-N77 HydrophobicContact CB-CB 3.72Å; E47-N77 HydrophobicContact CG-CB 4.45Å; E47-N77 PolarHBondContact OE2-ND2 3Å; Q48-N77 WeakPolarHBondContact CA-O 3.37Å; Q48-N77 PolarHBondContact N-O 2.82Å; P73-N77 VanDerWaalsContact O-CB 3.29Å; P73-N77 WeakPolarHBondContact O-CB 3.42Å; P73-N77 PolarHBondContact O-N 2.93Å; P73-N77 PolarHBondContact O-ND2 3.45Å; P73-N77 PolarHBondContact O-OD1 3.44Å; G74-N77 PolarHBondContact O-N 2.93Å; A75-N77 VanDerWaalsContact C-N 3.27Å; A75-N77 PolarHBondContact O-N 3.31Å |
| 78 | L | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -23 | 174.7 | -64.2 | 178.6 | 0 | 0 | 0 | 113.1 | E47 A51 C67 A69 A75 T76 T80 G81 L82 A94 T96 | E47-L78 HydrophobicContact CB-CD2 3.82Å; E47-L78 HydrophobicContact CB-CG 4.3Å; E47-L78 WeakPolarHBondContact O-CD2 2.98Å; A51-L78 HydrophobicContact CB-CD2 3.94Å; C67-L78 HydrophobicContact CB-CD2 4.44Å; A69-L78 HydrophobicContact CB-CD1 3.64Å; A69-L78 HydrophobicContact CB-CD2 4.35Å; A69-L78 HydrophobicContact CB-CG 4Å; A75-L78 WeakPolarHBondContact O-CB 3.36Å; A75-L78 PolarHBondContact O-N 3Å; A75-L78 VanDerWaalsContact O-N 3.14Å; T76-L78 PolarHBondContact O-N 3.43Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-T80 PolarHBondContact O-N 3.47Å; L78-G81 WeakPolarHBondContact O-CA 3.49Å; L78-G81 PolarHBondContact O-N 3.09Å; L78-L82 HydrophobicContact CB-CD1 4.39Å; L78-L82 HydrophobicContact CB-CG 4.4Å; L78-L82 PolarHBondContact O-N 3.38Å; L78-A94 HydrophobicContact CD1-CB 4.22Å; L78-T96 HydrophobicContact CD1-CG2 3.8Å |
| 79 | I | 98.5 | Very high | 98.6 | Very high | 41 Ų | 41 | 20.5 Ų | 20.5 | 21% | 0.21 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.4 | -43.7 | -164.9 | -65.6 | -65.3 | 0 | 0 | 0 | 113 | T76 G81 L82 A83 L117 | T76-I79 WeakPolarHBondContact O-CB 3.4Å; T76-I79 WeakPolarHBondContact O-CG1 3.42Å; T76-I79 PolarHBondContact O-N 3.27Å; I79-G81 VanDerWaalsContact C-N 3.32Å; I79-G81 PolarHBondContact O-N 3.16Å; I79-L82 PolarHBondContact O-N 3.46Å; I79-A83 PolarHBondContact O-N 2.86Å; I79-L117 HydrophobicContact CD1-CB 4.14Å |
| 80 | T | 98.7 | Very high | 98.5 | Very high | 59 Ų | 59 | 20.6 Ų | 20.6 | 36% | 0.362 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | L78 A83 D84 L400 T402 | L78-T80 VanDerWaalsContact C-N 3.34Å; L78-T80 PolarHBondContact O-N 3.47Å; T80-A83 PolarHBondContact O-N 3.05Å; T80-D84 WeakPolarHBondContact O-CB 3.17Å; T80-D84 PolarHBondContact O-N 2.77Å; T80-L400 HydrophobicContact CG2-CD2 4.43Å; T80-T402 HydrophobicContact CG2-CG2 3.55Å |
| 81 | G | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I55 L78 I79 D84 A85 | I55-G81 WeakPolarHBondContact CD1-O 3.47Å; L78-G81 WeakPolarHBondContact O-CA 3.49Å; L78-G81 PolarHBondContact O-N 3.09Å; I79-G81 VanDerWaalsContact C-N 3.32Å; I79-G81 PolarHBondContact O-N 3.16Å; G81-D84 WeakPolarHBondContact O-CB 3.23Å; G81-D84 PolarHBondContact O-N 2.93Å; G81-A85 WeakPolarHBondContact O-CB 3.41Å; G81-A85 PolarHBondContact O-N 3.4Å |
| 82 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 174.6 | -56.4 | -179.7 | 0 | 0 | 0 | 111.3 | L78 I79 D84 A85 L86 V92 A94 C121 T122 P152 L154 | L78-L82 HydrophobicContact CB-CD1 4.39Å; L78-L82 HydrophobicContact CB-CG 4.4Å; L78-L82 PolarHBondContact O-N 3.38Å; I79-L82 PolarHBondContact O-N 3.46Å; L82-D84 VanDerWaalsContact C-N 3.29Å; L82-D84 PolarHBondContact O-N 3.3Å; L82-A85 PolarHBondContact O-N 3.4Å; L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 PolarHBondContact O-N 3.48Å; L82-V92 HydrophobicContact CD2-CG1 4.4Å; L82-A94 HydrophobicContact CD1-CB 4.38Å; L82-A94 HydrophobicContact CD2-CB 3.72Å; L82-C121 CarbonylContact C-O 3.55Å; L82-C121 VanDerWaalsContact C-O 3.29Å; L82-C121 HydrophobicContact CB-CB 4.5Å; L82-C121 VanDerWaalsContact O-O 3.1Å; L82-T122 HydrophobicContact CB-CG2 4.29Å; L82-T122 HydrophobicContact CD1-CG2 4Å; L82-P152 HydrophobicContact CB-CB 4.46Å; L82-P152 HydrophobicContact CD2-CB 4.05Å; L82-P152 VanDerWaalsContact O-CG 3.24Å; L82-P152 WeakPolarHBondContact O-CG 3.48Å; L82-L154 HydrophobicContact CD1-CD1 3.93Å |
| 83 | A | 98.8 | Very high | 98.6 | Very high | 22 Ų | 22 | 21 Ų | 21 | 18% | 0.182 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I79 T80 L86 L87 C121 L400 | I79-A83 PolarHBondContact O-N 2.86Å; T80-A83 PolarHBondContact O-N 3.05Å; A83-L86 PolarHBondContact O-N 3.24Å; A83-L87 PolarHBondContact O-N 2.85Å; A83-C121 HydrophobicContact CB-CB 3.74Å; A83-L400 HydrophobicContact CB-CD2 3.72Å |
| 84 | D | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -51.7 | 175 | -164.2 | -84.2 | 0 | 0 | 0 | 111.2 | I55 T80 G81 L82 L86 L87 D88 S397 L400 T402 | I55-D84 HydrophobicContact CD1-CB 4.13Å; T80-D84 WeakPolarHBondContact O-CB 3.17Å; T80-D84 PolarHBondContact O-N 2.77Å; G81-D84 WeakPolarHBondContact O-CB 3.23Å; G81-D84 PolarHBondContact O-N 2.93Å; L82-D84 VanDerWaalsContact C-N 3.29Å; L82-D84 PolarHBondContact O-N 3.3Å; D84-L86 VanDerWaalsContact C-N 3.3Å; D84-L86 PolarHBondContact O-N 3.02Å; D84-L87 PolarHBondContact O-N 3.39Å; D84-D88 WeakPolarHBondContact O-CB 3.48Å; D84-D88 PolarHBondContact O-N 2.98Å; D84-S397 WeakPolarHBondContact OD2-CB 3.43Å; D84-S397 PolarHBondContact OD2-OG 3.2Å; D84-L400 HydrophobicContact CB-CB 4.45Å; D84-L400 HydrophobicContact CB-CD2 4.12Å; D84-T402 WeakPolarHBondContact OD2-CB 3.39Å; D84-T402 PolarHBondContact OD2-OG1 2.83Å |
| 85 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.7 | -37.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I55 G81 L82 D88 S89 I90 V92 P152 | I55-A85 HydrophobicContact CD1-CB 3.92Å; I55-A85 HydrophobicContact CG1-CB 3.96Å; G81-A85 WeakPolarHBondContact O-CB 3.41Å; G81-A85 PolarHBondContact O-N 3.4Å; L82-A85 PolarHBondContact O-N 3.4Å; A85-D88 CarbonylContact O-C 3.53Å; A85-S89 WeakPolarHBondContact O-CA 3.22Å; A85-S89 PolarHBondContact O-N 3.02Å; A85-I90 HydrophobicContact CB-CB 4.08Å; A85-I90 PolarHBondContact O-N 3.44Å; A85-V92 HydrophobicContact CB-CB 4.42Å; A85-V92 HydrophobicContact CB-CG2 3.95Å; A85-P152 HydrophobicContact CB-CB 4.03Å; A85-P152 HydrophobicContact CB-CG 3.82Å |
| 86 | L | 98.5 | Very high | 98.6 | Very high | 47 Ų | 47 | 17.8 Ų | 17.8 | 25% | 0.246 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.3 | -52.2 | 178.2 | 179.3 | 66.2 | 0 | 0 | 0 | 111.2 | L82 A83 D84 D88 S89 K123 P152 | L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 PolarHBondContact O-N 3.48Å; A83-L86 PolarHBondContact O-N 3.24Å; D84-L86 VanDerWaalsContact C-N 3.3Å; D84-L86 PolarHBondContact O-N 3.02Å; L86-D88 PolarHBondContact O-N 3.18Å; L86-S89 PolarHBondContact O-N 2.89Å; L86-K123 HydrophobicContact CD1-CG 4.17Å; L86-P152 VanDerWaalsContact CA-CD 3.41Å; L86-P152 HydrophobicContact CB-CG 3.77Å |
| 87 | L | 98.1 | Very high | 98.6 | Very high | 69 Ų | 69 | 15.2 Ų | 15.2 | 36% | 0.361 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -65.4 | -28.6 | -178.6 | -71.7 | -179.5 | 0 | 0 | 0 | 111.9 | A83 D84 L400 | A83-L87 PolarHBondContact O-N 2.85Å; D84-L87 PolarHBondContact O-N 3.39Å; L87-L400 HydrophobicContact CD1-CB 3.85Å; L87-L400 HydrophobicContact CD1-CD1 3.78Å; L87-L400 HydrophobicContact CD1-CG 4.36Å |
| 88 | D | 98.2 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 11.2 | 175.6 | -82.2 | -21 | 0 | 0 | 0 | 116.9 | D84 A85 L86 I90 M209 K232 S398 G399 | D84-D88 WeakPolarHBondContact O-CB 3.48Å; D84-D88 PolarHBondContact O-N 2.98Å; A85-D88 CarbonylContact O-C 3.53Å; L86-D88 PolarHBondContact O-N 3.18Å; D88-I90 HydrophobicContact CB-CD1 3.75Å; D88-I90 HydrophobicContact CB-CG1 3.88Å; D88-I90 VanDerWaalsContact O-CG1 3.29Å; D88-I90 WeakPolarHBondContact O-CG1 3.39Å; D88-I90 PolarHBondContact O-N 2.95Å; D88-M209 WeakPolarHBondContact O-CE 3.41Å; D88-K232 VanDerWaalsContact CB-NZ 3.28Å; D88-K232 VanDerWaalsContact CG-NZ 3.35Å; D88-K232 PolarHBondContact O-NZ 2.9Å; D88-K232 WeakPolarHBondContact OD1-CD 3.39Å; D88-K232 WeakPolarHBondContact OD1-CE 3.19Å; D88-K232 IonicContact OD1-NZ 2.9Å; D88-K232 PolarHBondContact OD1-NZ 3.14Å; D88-S398 VanDerWaalsContact CG-OG 3.23Å; D88-S398 PolarHBondContact OD1-OG 3.29Å; D88-S398 PolarHBondContact OD2-N 3.14Å; D88-S398 PolarHBondContact OD2-OG 3.2Å; D88-G399 PolarHBondContact OD1-N 2.7Å; D88-G399 PolarHBondContact OD2-N 3.07Å |
| 89 | S | 98.3 | Very high | 98.6 | Very high | 9 Ų | 9 | 14 Ų | 14 | 6% | 0.063 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 49.8 | 175 | -36.7 | 0 | 0 | 0 | 0 | 113.4 | A85 L86 R149 P150 | A85-S89 WeakPolarHBondContact O-CA 3.22Å; A85-S89 PolarHBondContact O-N 3.02Å; L86-S89 PolarHBondContact O-N 2.89Å; S89-R149 PolarHBondContact OG-NE 2.89Å; S89-R149 PolarHBondContact OG-NH2 2.83Å; S89-P150 CarbonylContact C-O 3.55Å; S89-P150 VanDerWaalsContact C-O 3.24Å; S89-P150 WeakPolarHBondContact CA-O 3.45Å; S89-P150 WeakPolarHBondContact CB-O 3.26Å; S89-P150 WeakPolarHBondContact O-CB 3.14Å |
| 90 | I | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | trans | -108.9 | 124 | -173.3 | -49.6 | -176.4 | 0 | 0 | 0 | 108.8 | I55 A58 R59 A85 D88 V92 G151 | I55-I90 HydrophobicContact CB-CD1 4.45Å; I55-I90 HydrophobicContact CB-CG2 4.49Å; I55-I90 HydrophobicContact CG1-CD1 4.48Å; I55-I90 HydrophobicContact CG1-CG2 4.41Å; I55-I90 HydrophobicContact CG2-CD1 3.36Å; I55-I90 HydrophobicContact CG2-CG2 4.23Å; A58-I90 HydrophobicContact CB-CG2 3.7Å; R59-I90 HydrophobicContact CG-CD1 3.86Å; R59-I90 HydrophobicContact CG-CG1 4.41Å; R59-I90 HydrophobicContact CG-CG2 4.2Å; A85-I90 HydrophobicContact CB-CB 4.08Å; A85-I90 PolarHBondContact O-N 3.44Å; D88-I90 HydrophobicContact CB-CD1 3.75Å; D88-I90 HydrophobicContact CB-CG1 3.88Å; D88-I90 VanDerWaalsContact O-CG1 3.29Å; D88-I90 WeakPolarHBondContact O-CG1 3.39Å; D88-I90 PolarHBondContact O-N 2.95Å; I90-V92 HydrophobicContact CG2-CG2 4.22Å; I90-V92 PolarHBondContact O-N 3.21Å; I90-V92 VanDerWaalsContact O-N 3.08Å; I90-G151 CarbonylContact O-C 3.49Å; I90-G151 WeakPolarHBondContact O-CA 3.49Å | ||
| 91 | P | 98.5 | Very high | 98.5 | Very high | 20 Ų | 20 | 12.6 Ų | 12.6 | 13% | 0.13 | 8% | 0.08 | C | C | . | . | trans | -70.2 | 108.7 | -180 | 28.6 | -32 | 0 | 0 | 0 | 109.6 | A58 T64 G65 A145 P150 | A58-P91 HydrophobicContact CB-CG 4.46Å; T64-P91 WeakPolarHBondContact CA-O 3.36Å; T64-P91 HydrophobicContact CG2-CB 4.46Å; G65-P91 PolarHBondContact N-O 2.84Å; P91-A145 HydrophobicContact CB-CB 4.45Å; P91-P150 HydrophobicContact CB-CB 4.12Å; P91-P150 HydrophobicContact CG-CB 4.23Å | ||
| 92 | V | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.9 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | A54 I55 G65 L82 A85 I90 P152 V153 | A54-V92 HydrophobicContact CB-CG1 4.43Å; I55-V92 HydrophobicContact CG1-CG2 3.93Å; G65-V92 CarbonylContact O-C 3.59Å; G65-V92 WeakPolarHBondContact O-CA 3.42Å; L82-V92 HydrophobicContact CD2-CG1 4.4Å; A85-V92 HydrophobicContact CB-CB 4.42Å; A85-V92 HydrophobicContact CB-CG2 3.95Å; I90-V92 HydrophobicContact CG2-CG2 4.22Å; I90-V92 PolarHBondContact O-N 3.21Å; I90-V92 VanDerWaalsContact O-N 3.08Å; V92-P152 HydrophobicContact CB-CB 4.18Å; V92-P152 CarbonylContact O-C 3.55Å; V92-P152 WeakPolarHBondContact O-CA 3.22Å; V92-V153 PolarHBondContact O-N 3.16Å |
| 93 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.6 | 167.4 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | T64 G65 V66 C67 I95 A141 F142 A145 V153 V155 | T64-V93 HydrophobicContact CG2-CB 4.2Å; T64-V93 HydrophobicContact CG2-CG2 3.72Å; G65-V93 PolarHBondContact O-N 3.47Å; V66-V93 WeakPolarHBondContact CA-O 3.35Å; C67-V93 PolarHBondContact N-O 2.91Å; C67-V93 VanDerWaalsContact N-O 3.14Å; V93-I95 HydrophobicContact CG1-CG1 4.2Å; V93-A141 HydrophobicContact CG1-CB 4.43Å; V93-A141 HydrophobicContact CG2-CB 4.49Å; V93-F142 HydrophobicContact CB-CE2 4.15Å; V93-F142 HydrophobicContact CB-CZ 4.25Å; V93-F142 HydrophobicContact CG1-CD2 4.45Å; V93-F142 HydrophobicContact CG1-CE2 3.95Å; V93-F142 HydrophobicContact CG1-CZ 4.44Å; V93-F142 HydrophobicContact CG2-CD1 4.43Å; V93-F142 HydrophobicContact CG2-CD2 3.97Å; V93-F142 HydrophobicContact CG2-CE1 4.46Å; V93-F142 HydrophobicContact CG2-CE2 4.03Å; V93-F142 HydrophobicContact CG2-CG 4.19Å; V93-F142 HydrophobicContact CG2-CZ 4.27Å; V93-A145 HydrophobicContact CG2-CB 3.92Å; V93-V153 WeakPolarHBondContact CA-O 3.42Å; V93-V155 HydrophobicContact CG1-CG2 4.43Å |
| 94 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | C67 L78 L82 V153 L154 V155 | C67-A94 WeakPolarHBondContact O-CA 3.36Å; L78-A94 HydrophobicContact CD1-CB 4.22Å; L82-A94 HydrophobicContact CD1-CB 4.38Å; L82-A94 HydrophobicContact CD2-CB 3.72Å; A94-V153 PolarHBondContact N-O 2.9Å; A94-L154 CarbonylContact O-C 3.42Å; A94-L154 WeakPolarHBondContact O-CA 3.43Å; A94-V155 PolarHBondContact O-N 3.42Å |
| 95 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.1 | 178.7 | -56.6 | 172.8 | 0 | 0 | 0 | 108.1 | V7 L11 V66 C67 I68 A69 V93 M138 V155 I157 | V7-I95 HydrophobicContact CG1-CD1 3.97Å; L11-I95 HydrophobicContact CD1-CD1 4.3Å; L11-I95 HydrophobicContact CD2-CD1 3.99Å; L11-I95 HydrophobicContact CG-CD1 4.43Å; V66-I95 HydrophobicContact CG1-CD1 4.22Å; C67-I95 PolarHBondContact O-N 2.72Å; I68-I95 VanDerWaalsContact CA-O 3.32Å; I68-I95 WeakPolarHBondContact CA-O 3.49Å; I68-I95 HydrophobicContact CG1-CB 4.31Å; A69-I95 PolarHBondContact N-O 2.78Å; V93-I95 HydrophobicContact CG1-CG1 4.2Å; I95-M138 HydrophobicContact CD1-CE 3.84Å; I95-V155 WeakPolarHBondContact CA-O 3.35Å; I95-I157 HydrophobicContact CG2-CD1 3.77Å; I95-I157 HydrophobicContact CG2-CG1 4.39Å |
| 96 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.7 | 177.8 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | A69 A75 L78 L154 V155 D156 I157 | A69-T96 HydrophobicContact CB-CG2 4.42Å; A69-T96 WeakPolarHBondContact O-CA 3.4Å; A75-T96 HydrophobicContact CB-CG2 3.77Å; L78-T96 HydrophobicContact CD1-CG2 3.8Å; T96-L154 HydrophobicContact CG2-CD1 4.23Å; T96-V155 PolarHBondContact N-O 3.46Å; T96-D156 WeakPolarHBondContact CB-OD1 3.42Å; T96-D156 WeakPolarHBondContact OG1-CA 3.49Å; T96-D156 PolarHBondContact OG1-OD1 3.39Å; T96-I157 PolarHBondContact O-N 3.03Å |
| 97 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 149.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A69 S71 | A69-G97 PolarHBondContact O-N 2.85Å; S71-G97 WeakPolarHBondContact CA-O 3.49Å; S71-G97 WeakPolarHBondContact CB-O 3.2Å; S71-G97 PolarHBondContact N-O 2.91Å |
| 98 | Q | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 161 | 173.8 | -173.4 | 54.7 | -90 | 0 | 0 | 110.7 | I104 V112 D156 I157 P158 K159 | Q98-I104 HydrophobicContact CG-CD1 4.07Å; Q98-I104 HydrophobicContact CG-CG1 4.3Å; Q98-V112 PolarHBondContact NE2-O 3.21Å; Q98-V112 VanDerWaalsContact NE2-O 3.08Å; Q98-D156 WeakPolarHBondContact CB-OD2 3.37Å; Q98-D156 WeakPolarHBondContact CG-OD2 3.4Å; Q98-D156 PolarHBondContact NE2-OD2 3.15Å; Q98-I157 PolarHBondContact N-O 3.43Å; Q98-P158 HydrophobicContact CB-CG 4.43Å; Q98-K159 PolarHBondContact O-N 2.88Å |
| 99 | V | 98.3 | Very high | 98 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | trans | -52.9 | 154 | 165 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | F103 I104 A108 F109 E111 | V99-F103 HydrophobicContact CB-CB 4.25Å; V99-F103 HydrophobicContact CG2-CB 4.02Å; V99-I104 HydrophobicContact CG2-CG1 3.81Å; V99-A108 HydrophobicContact CG1-CB 4.32Å; V99-F109 WeakPolarHBondContact CG1-O 3.31Å; V99-E111 HydrophobicContact CG1-CB 3.93Å; V99-E111 HydrophobicContact CG1-CG 4.47Å; V99-E111 HydrophobicContact CG2-CB 4.25Å; V99-E111 HydrophobicContact CG2-CG 3.91Å | ||
| 100 | S | 98.1 | Very high | 98 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | trans | -59.3 | 146.6 | 177.5 | -63.6 | 0 | 0 | 0 | 0 | 111 | P102 F103 D160 | S100-P102 VanDerWaalsContact C-N 3.32Å; S100-P102 VanDerWaalsContact O-N 3.1Å; S100-F103 WeakPolarHBondContact O-CB 3.49Å; S100-F103 PolarHBondContact O-N 3.46Å; S100-D160 WeakPolarHBondContact CA-OD1 3.43Å; S100-D160 PolarHBondContact OG-N 3Å | ||
| 101 | A | 96.7 | Very high | 98 | Very high | 41 Ų | 41 | 48 Ų | 48 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -50.7 | -39.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F103 I104 P158 D160 | A101-F103 PolarHBondContact O-N 3.33Å; A101-F103 VanDerWaalsContact O-N 3.14Å; A101-I104 PolarHBondContact O-N 2.81Å; A101-P158 HydrophobicContact CB-CB 4.49Å; A101-D160 WeakPolarHBondContact CB-OD2 3.41Å; A101-D160 PolarHBondContact N-OD1 3.19Å; A101-D160 PolarHBondContact N-OD2 2.85Å |
| 102 | P | 97.3 | Very high | 97.9 | Very high | 101 Ų | 101 | 48.9 Ų | 48.9 | 66% | 0.656 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -64.6 | -15.9 | 177.3 | -23.8 | 35.4 | 0 | 0 | 0 | 115.5 | S100 | S100-P102 VanDerWaalsContact C-N 3.32Å; S100-P102 VanDerWaalsContact O-N 3.1Å |
| 103 | F | 97.2 | Very high | 97.8 | Very high | 118 Ų | 118 | 54 Ų | 54 | 52% | 0.518 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -97 | -8.2 | 178.7 | -66.3 | -61 | 0 | 0 | 0 | 113.2 | V99 S100 A101 G105 T106 A108 | V99-F103 HydrophobicContact CB-CB 4.25Å; V99-F103 HydrophobicContact CG2-CB 4.02Å; S100-F103 WeakPolarHBondContact O-CB 3.49Å; S100-F103 PolarHBondContact O-N 3.46Å; A101-F103 PolarHBondContact O-N 3.33Å; A101-F103 VanDerWaalsContact O-N 3.14Å; F103-G105 PolarHBondContact O-N 3.22Å; F103-T106 WeakPolarHBondContact O-CB 3.37Å; F103-T106 PolarHBondContact O-N 2.89Å; F103-T106 PolarHBondContact O-OG1 3.39Å; F103-A108 HydrophobicContact CB-CB 3.8Å; F103-A108 HydrophobicContact CG-CB 4.42Å |
| 104 | I | 97.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 54 Ų | 54 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 132.2 | 176.4 | -61.7 | 177.3 | 0 | 0 | 0 | 109.1 | Q98 V99 A101 E111 L127 P158 | Q98-I104 HydrophobicContact CG-CD1 4.07Å; Q98-I104 HydrophobicContact CG-CG1 4.3Å; V99-I104 HydrophobicContact CG2-CG1 3.81Å; A101-I104 PolarHBondContact O-N 2.81Å; I104-E111 WeakPolarHBondContact CA-OE1 3.37Å; I104-L127 HydrophobicContact CD1-CD1 4.31Å; I104-L127 HydrophobicContact CD1-CD2 4.38Å; I104-P158 HydrophobicContact CD1-CG 4.12Å |
| 105 | G | 96.8 | Very high | 97.5 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 18.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F103 E111 | F103-G105 PolarHBondContact O-N 3.22Å; G105-E111 WeakPolarHBondContact CA-OE1 3.45Å; G105-E111 PolarHBondContact N-OE1 2.87Å |
| 106 | T | 97.5 | Very high | 97.3 | Very high | 75 Ų | 75 | 58.2 Ų | 58.2 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 7.3 | -173 | 72.2 | 0 | 0 | 0 | 0 | 115.1 | F103 A108 E111 | F103-T106 WeakPolarHBondContact O-CB 3.37Å; F103-T106 PolarHBondContact O-N 2.89Å; F103-T106 PolarHBondContact O-OG1 3.39Å; T106-A108 PolarHBondContact O-N 3.49Å; T106-E111 PolarHBondContact N-OE2 3.02Å |
| 107 | D | 96.4 | Very high | 97.2 | Very high | 164 Ų | 164 | 62.3 Ų | 62.3 | 88% | 0.877 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 39.4 | -171.4 | -58.3 | -61.3 | 0 | 0 | 0 | 111.7 | E111 | D107-E111 WeakPolarHBondContact CA-OE2 3.21Å; D107-E111 PolarHBondContact N-OE2 3.25Å |
| 108 | A | 97.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 20% | 0.198 | 36% | 0.361 | C | S | . | . | trans | -67.9 | 164.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V99 F103 T106 Q110 E111 | V99-A108 HydrophobicContact CG1-CB 4.32Å; F103-A108 HydrophobicContact CB-CB 3.8Å; F103-A108 HydrophobicContact CG-CB 4.42Å; T106-A108 PolarHBondContact O-N 3.49Å; A108-Q110 PolarHBondContact O-N 2.9Å; A108-E111 HydrophobicContact CB-CB 4.09Å; A108-E111 PolarHBondContact N-OE2 2.76Å; A108-E111 VanDerWaalsContact O-CB 3.25Å; A108-E111 WeakPolarHBondContact O-CB 3.41Å; A108-E111 PolarHBondContact O-N 3.02Å | ||
| 109 | F | 98 | Very high | 97 | Very high | 172 Ų | 172 | 67.2 Ų | 67.2 | 75% | 0.754 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 122.6 | 179 | 175.5 | -104.9 | 0 | 0 | 0 | 111.5 | V99 E111 | V99-F109 WeakPolarHBondContact CG1-O 3.31Å; F109-E111 PolarHBondContact O-N 3.39Å |
| 110 | Q | 98.2 | Very high | 96.9 | Very high | 63 Ų | 63 | 70.8 Ų | 70.8 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 28 | -174.8 | -60.1 | -175.2 | -48.2 | 0 | 0 | 114 | S71 G72 A108 | S71-Q110 CarbonylContact C-O 3.31Å; S71-Q110 WeakPolarHBondContact CB-O 3.47Å; S71-Q110 WeakPolarHBondContact OG-CB 3.31Å; S71-Q110 PolarHBondContact OG-O 3.17Å; G72-Q110 VanDerWaalsContact CA-O 3.28Å; G72-Q110 WeakPolarHBondContact CA-O 3.28Å; G72-Q110 PolarHBondContact N-O 3.24Å; A108-Q110 PolarHBondContact O-N 2.9Å |
| 111 | E | 98.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 69.9 Ų | 69.9 | 20% | 0.201 | 41% | 0.412 | C | S | . | . | trans | -80.1 | 140.4 | 166.9 | -170.2 | -173.1 | 173.8 | 0 | 0 | 110.6 | V99 I104 G105 T106 D107 A108 F109 | V99-E111 HydrophobicContact CG1-CB 3.93Å; V99-E111 HydrophobicContact CG1-CG 4.47Å; V99-E111 HydrophobicContact CG2-CB 4.25Å; V99-E111 HydrophobicContact CG2-CG 3.91Å; I104-E111 WeakPolarHBondContact CA-OE1 3.37Å; G105-E111 WeakPolarHBondContact CA-OE1 3.45Å; G105-E111 PolarHBondContact N-OE1 2.87Å; T106-E111 PolarHBondContact N-OE2 3.02Å; D107-E111 WeakPolarHBondContact CA-OE2 3.21Å; D107-E111 PolarHBondContact N-OE2 3.25Å; A108-E111 HydrophobicContact CB-CB 4.09Å; A108-E111 PolarHBondContact N-OE2 2.76Å; A108-E111 VanDerWaalsContact O-CB 3.25Å; A108-E111 WeakPolarHBondContact O-CB 3.41Å; A108-E111 PolarHBondContact O-N 3.02Å; F109-E111 PolarHBondContact O-N 3.39Å | ||
| 112 | V | 97.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | trans | -152 | 145.7 | 164.2 | 71.8 | 0 | 0 | 0 | 0 | 108.5 | T76 Q98 V114 L117 | T76-V112 HydrophobicContact CG2-CG1 4.11Å; T76-V112 HydrophobicContact CG2-CG2 4.09Å; Q98-V112 PolarHBondContact NE2-O 3.21Å; Q98-V112 VanDerWaalsContact NE2-O 3.08Å; V112-V114 HydrophobicContact CG1-CB 4.22Å; V112-V114 PolarHBondContact O-N 2.95Å; V112-L117 HydrophobicContact CG2-CD1 3.63Å | ||
| 113 | D | 97 | Very high | 96.9 | Very high | 109 Ų | 109 | 67 Ų | 67 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | trans | -72.4 | 74.4 | 169.1 | -179.9 | 17.2 | 0 | 0 | 0 | 110.2 | L115 G116 L117 | D113-L115 PolarHBondContact O-N 3.06Å; D113-L115 PolarHBondContact OD1-N 3.28Å; D113-G116 PolarHBondContact O-N 2.91Å; D113-G116 PolarHBondContact OD1-N 3.07Å; D113-L117 WeakPolarHBondContact O-CG 3.12Å; D113-L117 PolarHBondContact O-N 3.4Å; D113-L117 VanDerWaalsContact O-N 3.12Å | ||
| 114 | V | 95.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.4 | -31.7 | 178.3 | 69.2 | 0 | 0 | 0 | 0 | 111.2 | A75 V112 L117 S118 L154 D156 | A75-V114 HydrophobicContact CB-CB 4.18Å; A75-V114 HydrophobicContact CB-CG2 3.77Å; V112-V114 HydrophobicContact CG1-CB 4.22Å; V112-V114 PolarHBondContact O-N 2.95Å; V114-L117 PolarHBondContact O-N 3.5Å; V114-S118 VanDerWaalsContact O-CB 3.28Å; V114-S118 WeakPolarHBondContact O-CB 2.9Å; V114-S118 PolarHBondContact O-N 3.09Å; V114-S118 PolarHBondContact O-OG 2.88Å; V114-L154 HydrophobicContact CG1-CD2 4.12Å; V114-L154 HydrophobicContact CG2-CD1 3.61Å; V114-L154 HydrophobicContact CG2-CD2 4.36Å; V114-D156 HydrophobicContact CG1-CB 3.89Å; V114-D156 VanDerWaalsContact CG1-OD2 3.24Å; V114-D156 WeakPolarHBondContact CG1-OD2 3.42Å |
| 115 | L | 94.8 | Very high | 97 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.5 | -55.6 | 175.8 | -179.6 | 67.8 | 0 | 0 | 0 | 109.8 | D113 L117 S118 L119 S125 L127 | D113-L115 PolarHBondContact O-N 3.06Å; D113-L115 PolarHBondContact OD1-N 3.28Å; L115-L117 VanDerWaalsContact C-N 3.28Å; L115-L117 PolarHBondContact O-N 3.03Å; L115-S118 PolarHBondContact O-N 2.62Å; L115-S118 PolarHBondContact O-OG 2.81Å; L115-L119 WeakPolarHBondContact O-CG 3.33Å; L115-L119 PolarHBondContact O-N 2.87Å; L115-S125 VanDerWaalsContact CD1-CB 3.49Å; L115-L127 HydrophobicContact CD2-CB 4.38Å |
| 116 | G | 96.5 | Very high | 97 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | D113 | D113-G116 PolarHBondContact O-N 2.91Å; D113-G116 PolarHBondContact OD1-N 3.07Å |
| 117 | L | 95.7 | Very high | 97.1 | Very high | 85 Ų | 85 | 59.2 Ų | 59.2 | 45% | 0.445 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 177.1 | -70.7 | 172.6 | 0 | 0 | 0 | 113.2 | T76 I79 V112 D113 V114 L115 | T76-L117 HydrophobicContact CG2-CD1 3.85Å; I79-L117 HydrophobicContact CD1-CB 4.14Å; V112-L117 HydrophobicContact CG2-CD1 3.63Å; D113-L117 WeakPolarHBondContact O-CG 3.12Å; D113-L117 PolarHBondContact O-N 3.4Å; D113-L117 VanDerWaalsContact O-N 3.12Å; V114-L117 PolarHBondContact O-N 3.5Å; L115-L117 VanDerWaalsContact C-N 3.28Å; L115-L117 PolarHBondContact O-N 3.03Å |
| 118 | S | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -87.4 | -17.1 | -171.5 | 66 | 0 | 0 | 0 | 0 | 114.4 | V114 L115 A120 C121 T122 S125 | V114-S118 VanDerWaalsContact O-CB 3.28Å; V114-S118 WeakPolarHBondContact O-CB 2.9Å; V114-S118 PolarHBondContact O-N 3.09Å; V114-S118 PolarHBondContact O-OG 2.88Å; L115-S118 PolarHBondContact O-N 2.62Å; L115-S118 PolarHBondContact O-OG 2.81Å; S118-A120 PolarHBondContact O-N 2.84Å; S118-A120 VanDerWaalsContact O-N 3.1Å; S118-C121 CarbonylContact O-C 3.55Å; S118-C121 PolarHBondContact O-N 2.89Å; S118-C121 PolarHBondContact O-SG 2.88Å; S118-T122 WeakPolarHBondContact O-CB 3.35Å; S118-T122 PolarHBondContact O-N 2.93Å; S118-T122 PolarHBondContact O-OG1 2.77Å; S118-S125 WeakPolarHBondContact OG-CB 3.27Å; S118-S125 PolarHBondContact OG-OG 3.48Å |
| 119 | L | 95.9 | Very high | 97.1 | Very high | 111 Ų | 111 | 57.5 Ų | 57.5 | 58% | 0.581 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -31.1 | -177.2 | -75.9 | 174.1 | 0 | 0 | 0 | 114.1 | L115 | L115-L119 WeakPolarHBondContact O-CG 3.33Å; L115-L119 PolarHBondContact O-N 2.87Å |
| 120 | A | 95.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 74% | 0.744 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -12.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | S118 | S118-A120 PolarHBondContact O-N 2.84Å; S118-A120 VanDerWaalsContact O-N 3.1Å |
| 121 | C | 97.1 | Very high | 97 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 15.4 | -174.4 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | L82 A83 S118 P152 | L82-C121 CarbonylContact C-O 3.55Å; L82-C121 VanDerWaalsContact C-O 3.29Å; L82-C121 HydrophobicContact CB-CB 4.5Å; L82-C121 VanDerWaalsContact O-O 3.1Å; A83-C121 HydrophobicContact CB-CB 3.74Å; S118-C121 CarbonylContact O-C 3.55Å; S118-C121 PolarHBondContact O-N 2.89Å; S118-C121 PolarHBondContact O-SG 2.88Å; C121-P152 WeakPolarHBondContact O-CG 3.47Å |
| 122 | T | 98.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -134.1 | 154.7 | 175.2 | 58 | 0 | 0 | 0 | 0 | 111 | L82 S118 H124 S125 P152 L154 | L82-T122 HydrophobicContact CB-CG2 4.29Å; L82-T122 HydrophobicContact CD1-CG2 4Å; S118-T122 WeakPolarHBondContact O-CB 3.35Å; S118-T122 PolarHBondContact O-N 2.93Å; S118-T122 PolarHBondContact O-OG1 2.77Å; T122-H124 VanDerWaalsContact C-N 3.26Å; T122-H124 VanDerWaalsContact CB-O 3.3Å; T122-H124 WeakPolarHBondContact CB-O 3.44Å; T122-H124 PolarHBondContact OG1-O 2.94Å; T122-S125 PolarHBondContact OG1-OG 2.95Å; T122-P152 CarbonylContact C-O 3.59Å; T122-P152 WeakPolarHBondContact CA-O 3.46Å; T122-P152 WeakPolarHBondContact CB-O 3.28Å; T122-P152 HydrophobicContact CG2-CB 4.43Å; T122-L154 HydrophobicContact CG2-CB 4.22Å |
| 123 | K | 97.7 | Very high | 96.8 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 32% | 0.317 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -64.6 | -38.5 | 166.8 | -75.3 | -173 | 65.1 | 178.6 | 0 | 110.8 | L86 V144 S147 R149 P152 V153 | L86-K123 HydrophobicContact CD1-CG 4.17Å; K123-V144 HydrophobicContact CB-CG1 4.12Å; K123-V144 VanDerWaalsContact CE-O 3.27Å; K123-V144 WeakPolarHBondContact CE-O 3.37Å; K123-V144 PolarHBondContact NZ-O 3.25Å; K123-S147 PolarHBondContact NZ-O 3.22Å; K123-R149 WeakPolarHBondContact CD-O 3.34Å; K123-R149 WeakPolarHBondContact CE-O 3.49Å; K123-R149 PolarHBondContact NZ-O 3.14Å; K123-P152 PolarHBondContact N-O 3.07Å; K123-V153 HydrophobicContact CB-CG2 4.46Å |
| 124 | H | 97.8 | Very high | 96.8 | Very high | 85 Ų | 85 | 47.9 Ų | 47.9 | 39% | 0.394 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 161.6 | 177.3 | -158.8 | 53.9 | 0 | 0 | 0 | 110.2 | T122 F126 V144 V153 L154 | T122-H124 VanDerWaalsContact C-N 3.26Å; T122-H124 VanDerWaalsContact CB-O 3.3Å; T122-H124 WeakPolarHBondContact CB-O 3.44Å; T122-H124 PolarHBondContact OG1-O 2.94Å; H124-F126 AromaticContact CD2-CE1 3.68Å; H124-F126 AromaticContact CD2-CE2 3.54Å; H124-F126 AromaticContact CD2-CZ 3.37Å; H124-F126 WeakPolarHBondContact CD2-CZ 3.39Å; H124-F126 AromaticContact NE2-CE1 3.7Å; H124-F126 AromaticContact NE2-CZ 3.88Å; H124-V144 HydrophobicContact CB-CG1 3.92Å; H124-V153 VanDerWaalsContact O-CA 3.32Å; H124-V153 WeakPolarHBondContact O-CA 3.44Å; H124-L154 PolarHBondContact O-N 3.41Å |
| 125 | S | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 139 | 176.4 | -69.4 | 0 | 0 | 0 | 0 | 109.5 | L115 S118 T122 L154 | L115-S125 VanDerWaalsContact CD1-CB 3.49Å; S118-S125 WeakPolarHBondContact OG-CB 3.27Å; S118-S125 PolarHBondContact OG-OG 3.48Å; T122-S125 PolarHBondContact OG1-OG 2.95Å; S125-L154 CarbonylContact C-O 3.54Å; S125-L154 VanDerWaalsContact CA-O 3.3Å; S125-L154 WeakPolarHBondContact CA-O 3.5Å |
| 126 | F | 98 | Very high | 96.7 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.1 | 179.2 | -62.4 | -86.8 | 0 | 0 | 0 | 110.4 | H124 I137 E140 A141 V153 L154 V155 D156 | H124-F126 AromaticContact CD2-CE1 3.68Å; H124-F126 AromaticContact CD2-CE2 3.54Å; H124-F126 AromaticContact CD2-CZ 3.37Å; H124-F126 WeakPolarHBondContact CD2-CZ 3.39Å; H124-F126 AromaticContact NE2-CE1 3.7Å; H124-F126 AromaticContact NE2-CZ 3.88Å; F126-I137 HydrophobicContact CB-CG2 3.66Å; F126-I137 HydrophobicContact CD1-CD1 4.34Å; F126-I137 HydrophobicContact CD1-CG1 4.03Å; F126-I137 HydrophobicContact CD1-CG2 3.94Å; F126-I137 HydrophobicContact CD2-CG2 3.93Å; F126-I137 HydrophobicContact CE1-CG1 4.38Å; F126-I137 HydrophobicContact CE2-CG2 4.47Å; F126-I137 HydrophobicContact CG-CG2 3.6Å; F126-E140 HydrophobicContact CZ-CB 3.9Å; F126-A141 HydrophobicContact CD2-CB 4.39Å; F126-A141 HydrophobicContact CE2-CB 4.07Å; F126-V153 HydrophobicContact CD2-CG1 3.95Å; F126-V153 HydrophobicContact CE2-CG1 3.89Å; F126-L154 PolarHBondContact N-O 3.27Å; F126-V155 HydrophobicContact CD2-CG2 4.19Å; F126-D156 PolarHBondContact O-N 2.77Å |
| 127 | L | 97.9 | Very high | 96.8 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 114.1 | 159.1 | 171.7 | 62.6 | 0 | 0 | 0 | 107 | I104 L115 Q129 D156 P158 | I104-L127 HydrophobicContact CD1-CD1 4.31Å; I104-L127 HydrophobicContact CD1-CD2 4.38Å; L115-L127 HydrophobicContact CD2-CB 4.38Å; L127-Q129 PolarHBondContact O-N 3.34Å; L127-D156 HydrophobicContact CD1-CB 4.12Å; L127-P158 HydrophobicContact CD1-CG 4.02Å |
| 128 | V | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -71.1 | 124.4 | 178.3 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | S130 E133 L134 I137 V155 D156 I157 P158 I161 | V128-S130 VanDerWaalsContact CG1-O 3.25Å; V128-S130 WeakPolarHBondContact CG1-O 3.43Å; V128-E133 WeakPolarHBondContact CA-OE1 3.38Å; V128-E133 HydrophobicContact CG1-CG 4.17Å; V128-L134 HydrophobicContact CG1-CB 4.31Å; V128-L134 HydrophobicContact CG1-CD1 4.24Å; V128-L134 HydrophobicContact CG2-CD1 4.1Å; V128-I137 HydrophobicContact CB-CD1 4.43Å; V128-I137 HydrophobicContact CG1-CD1 4.44Å; V128-I137 HydrophobicContact CG2-CD1 4Å; V128-I137 HydrophobicContact CG2-CG2 4.13Å; V128-V155 HydrophobicContact CG2-CG1 3.87Å; V128-D156 PolarHBondContact N-O 3.01Å; V128-I157 HydrophobicContact CB-CG2 4.47Å; V128-I157 HydrophobicContact CG2-CG1 4.03Å; V128-P158 WeakPolarHBondContact O-CD 3.43Å; V128-P158 WeakPolarHBondContact O-CG 3.47Å; V128-I161 HydrophobicContact CG1-CD1 4.22Å; V128-I161 HydrophobicContact CG1-CG2 3.98Å; V128-I161 WeakPolarHBondContact O-CD1 3.38Å | ||
| 129 | Q | 97.1 | Very high | 96.7 | Very high | 152 Ų | 152 | 44.2 Ų | 44.2 | 71% | 0.71 | 23% | 0.232 | S | C | * | . | trans | -103.8 | -22.3 | -175.6 | -58.4 | -171.3 | -4.4 | 0 | 0 | 113.1 | L127 E133 | L127-Q129 PolarHBondContact O-N 3.34Å; Q129-E133 PolarHBondContact N-OE1 3.28Å | ||
| 130 | S | 97.2 | Very high | 96.7 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | trans | -148.1 | 164.2 | 175.3 | 92 | 0 | 0 | 0 | 0 | 112.7 | V128 E132 E133 | V128-S130 VanDerWaalsContact CG1-O 3.25Å; V128-S130 WeakPolarHBondContact CG1-O 3.43Å; S130-E132 VanDerWaalsContact C-N 3.29Å; S130-E132 WeakPolarHBondContact CB-OE2 3.47Å; S130-E132 PolarHBondContact O-N 3.4Å; S130-E132 PolarHBondContact OG-N 2.9Å; S130-E132 PolarHBondContact OG-OE2 3.37Å; S130-E133 WeakPolarHBondContact O-CG 3.46Å | ||
| 131 | L | 97 | Very high | 96.7 | Very high | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -35.5 | 176.9 | 178.1 | 62.7 | 0 | 0 | 0 | 111.5 | G3 E133 L134 A164 S165 L168 | G3-L131 VanDerWaalsContact CA-CD1 3.44Å; L131-E133 VanDerWaalsContact C-N 3.31Å; L131-E133 PolarHBondContact O-N 2.83Å; L131-L134 HydrophobicContact CD1-CD2 4.33Å; L131-L134 WeakPolarHBondContact O-CB 3.49Å; L131-L134 PolarHBondContact O-N 3.44Å; L131-A164 HydrophobicContact CB-CB 4.18Å; L131-A164 HydrophobicContact CD2-CB 3.95Å; L131-A164 HydrophobicContact CG-CB 4.49Å; L131-S165 VanDerWaalsContact CD2-C 3.47Å; L131-L168 HydrophobicContact CD1-CD1 4.04Å; L131-L168 HydrophobicContact CG-CD1 4.02Å; L131-L168 HydrophobicContact CG-CD2 4.32Å; L131-L168 VanDerWaalsContact O-CD1 3.23Å; L131-L168 WeakPolarHBondContact O-CD1 2.81Å |
| 132 | E | 95.7 | Very high | 96.7 | Very high | 134 Ų | 134 | 36.9 Ų | 36.9 | 63% | 0.626 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -30.9 | -173.2 | -61.5 | 74.1 | -160.7 | 0 | 0 | 113.3 | S130 | S130-E132 VanDerWaalsContact C-N 3.29Å; S130-E132 WeakPolarHBondContact CB-OE2 3.47Å; S130-E132 PolarHBondContact O-N 3.4Å; S130-E132 PolarHBondContact OG-N 2.9Å; S130-E132 PolarHBondContact OG-OE2 3.37Å |
| 133 | E | 95.9 | Very high | 96.5 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -11.3 | 179.5 | 62.8 | 169.2 | -163.4 | 0 | 0 | 114.1 | V128 Q129 S130 L131 R136 I137 | V128-E133 WeakPolarHBondContact CA-OE1 3.38Å; V128-E133 HydrophobicContact CG1-CG 4.17Å; Q129-E133 PolarHBondContact N-OE1 3.28Å; S130-E133 WeakPolarHBondContact O-CG 3.46Å; L131-E133 VanDerWaalsContact C-N 3.31Å; L131-E133 PolarHBondContact O-N 2.83Å; E133-R136 WeakPolarHBondContact O-CB 3.43Å; E133-R136 PolarHBondContact O-N 2.92Å; E133-R136 VanDerWaalsContact O-N 3.12Å; E133-R136 IonicContact OE2-NH2 3.35Å; E133-R136 PolarHBondContact OE2-NH2 3.38Å; E133-I137 HydrophobicContact CB-CD1 4.31Å; E133-I137 VanDerWaalsContact CD-CD1 3.42Å; E133-I137 HydrophobicContact CG-CD1 3.82Å; E133-I137 PolarHBondContact O-N 2.81Å; E133-I137 WeakPolarHBondContact OE1-CD1 3.22Å |
| 134 | L | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.2 | -45.6 | -175.1 | 178.7 | 65.5 | 0 | 0 | 0 | 113 | G3 W6 V7 V128 L131 R136 I137 M138 I157 | G3-L134 WeakPolarHBondContact O-CD2 3.01Å; W6-L134 HydrophobicContact CB-CD2 3.96Å; V7-L134 HydrophobicContact CG2-CD1 4.14Å; V7-L134 HydrophobicContact CG2-CD2 4.01Å; V128-L134 HydrophobicContact CG1-CB 4.31Å; V128-L134 HydrophobicContact CG1-CD1 4.24Å; V128-L134 HydrophobicContact CG2-CD1 4.1Å; L131-L134 HydrophobicContact CD1-CD2 4.33Å; L131-L134 WeakPolarHBondContact O-CB 3.49Å; L131-L134 PolarHBondContact O-N 3.44Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.36Å; L134-I137 PolarHBondContact O-N 2.95Å; L134-M138 HydrophobicContact CD1-CG 3.94Å; L134-M138 HydrophobicContact CD1-SD 4.42Å; L134-M138 HydrophobicContact CG-CG 4.38Å; L134-M138 WeakPolarHBondContact O-CB 3.49Å; L134-M138 VanDerWaalsContact O-CG 3.26Å; L134-M138 WeakPolarHBondContact O-CG 3.46Å; L134-M138 PolarHBondContact O-N 3.37Å; L134-I157 HydrophobicContact CD1-CD1 4.02Å |
| 135 | P | 94.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 10% | 0.104 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 178.1 | -23.8 | 34.9 | 0 | 0 | 0 | 112.9 | A139 L168 W171 | P135-A139 PolarHBondContact O-N 2.96Å; P135-L168 HydrophobicContact CG-CB 3.88Å; P135-L168 HydrophobicContact CG-CD1 3.5Å; P135-L168 VanDerWaalsContact CG-CD1 3.5Å; P135-L168 HydrophobicContact CG-CG 4.32Å; P135-W171 HydrophobicContact CB-CB 4.22Å |
| 136 | R | 94.7 | Very high | 96.3 | Very high | 68 Ų | 68 | 36 Ų | 36 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.5 | -50.9 | 178 | 177.6 | -173.5 | 66.4 | 74.9 | 4.4 | 110.9 | E133 L134 M138 A139 E140 W171 | E133-R136 WeakPolarHBondContact O-CB 3.43Å; E133-R136 PolarHBondContact O-N 2.92Å; E133-R136 VanDerWaalsContact O-N 3.12Å; E133-R136 IonicContact OE2-NH2 3.35Å; E133-R136 PolarHBondContact OE2-NH2 3.38Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.36Å; R136-M138 VanDerWaalsContact C-N 3.3Å; R136-M138 PolarHBondContact O-N 2.8Å; R136-A139 PolarHBondContact O-N 3.27Å; R136-E140 WeakPolarHBondContact CD-OE1 3.47Å; R136-E140 HydrophobicContact CG-CG 4.32Å; R136-E140 WeakPolarHBondContact CG-OE1 3.42Å; R136-E140 IonicContact CZ-OE1 2.67Å; R136-E140 IonicContact NE-OE1 3.96Å; R136-E140 IonicContact NH1-OE1 3.07Å; R136-E140 PolarHBondContact NH1-OE1 2.97Å; R136-E140 IonicContact NH1-OE2 2.77Å; R136-E140 PolarHBondContact NH1-OE2 3.43Å; R136-E140 WeakPolarHBondContact O-CB 3.33Å; R136-E140 WeakPolarHBondContact O-CG 3.22Å; R136-E140 PolarHBondContact O-N 3.38Å; R136-W171 HydrophobicContact CB-CB 4.34Å; R136-W171 HydrophobicContact CB-CD2 3.79Å; R136-W171 HydrophobicContact CB-CE3 4.06Å; R136-W171 HydrophobicContact CB-CG 3.91Å; R136-W171 HydrophobicContact CG-CD2 3.85Å; R136-W171 HydrophobicContact CG-CE3 4.29Å; R136-W171 HydrophobicContact CG-CG 4.21Å; R136-W171 HydrophobicContact CG-CH2 4.45Å; R136-W171 HydrophobicContact CG-CZ2 4.02Å |
| 137 | I | 96.5 | Very high | 96 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 179.8 | -73.1 | 176.2 | 0 | 0 | 0 | 110.8 | F126 V128 E133 L134 A139 E140 A141 V155 | F126-I137 HydrophobicContact CB-CG2 3.66Å; F126-I137 HydrophobicContact CD1-CD1 4.34Å; F126-I137 HydrophobicContact CD1-CG1 4.03Å; F126-I137 HydrophobicContact CD1-CG2 3.94Å; F126-I137 HydrophobicContact CD2-CG2 3.93Å; F126-I137 HydrophobicContact CE1-CG1 4.38Å; F126-I137 HydrophobicContact CE2-CG2 4.47Å; F126-I137 HydrophobicContact CG-CG2 3.6Å; V128-I137 HydrophobicContact CB-CD1 4.43Å; V128-I137 HydrophobicContact CG1-CD1 4.44Å; V128-I137 HydrophobicContact CG2-CD1 4Å; V128-I137 HydrophobicContact CG2-CG2 4.13Å; E133-I137 HydrophobicContact CB-CD1 4.31Å; E133-I137 VanDerWaalsContact CD-CD1 3.42Å; E133-I137 HydrophobicContact CG-CD1 3.82Å; E133-I137 PolarHBondContact O-N 2.81Å; E133-I137 WeakPolarHBondContact OE1-CD1 3.22Å; L134-I137 PolarHBondContact O-N 2.95Å; I137-A139 PolarHBondContact O-N 3.15Å; I137-E140 PolarHBondContact O-N 3.38Å; I137-A141 VanDerWaalsContact O-CB 3.26Å; I137-A141 WeakPolarHBondContact O-CB 3.39Å; I137-A141 PolarHBondContact O-N 2.87Å; I137-V155 HydrophobicContact CG2-CG1 3.75Å; I137-V155 HydrophobicContact CG2-CG2 4.31Å |
| 138 | M | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.5 | -70.6 | -57.6 | -58.1 | 0 | 0 | 111.8 | V7 A10 L11 I95 L134 R136 F142 V155 | V7-M138 HydrophobicContact CG1-CE 4.4Å; A10-M138 HydrophobicContact CB-CB 3.76Å; A10-M138 HydrophobicContact CB-CE 4.49Å; A10-M138 HydrophobicContact CB-CG 4.09Å; L11-M138 HydrophobicContact CD2-CE 4.45Å; I95-M138 HydrophobicContact CD1-CE 3.84Å; L134-M138 HydrophobicContact CD1-CG 3.94Å; L134-M138 HydrophobicContact CD1-SD 4.42Å; L134-M138 HydrophobicContact CG-CG 4.38Å; L134-M138 WeakPolarHBondContact O-CB 3.49Å; L134-M138 VanDerWaalsContact O-CG 3.26Å; L134-M138 WeakPolarHBondContact O-CG 3.46Å; L134-M138 PolarHBondContact O-N 3.37Å; R136-M138 VanDerWaalsContact C-N 3.3Å; R136-M138 PolarHBondContact O-N 2.8Å; M138-F142 HydrophobicContact CE-CE2 4.18Å; M138-F142 VanDerWaalsContact O-CD2 3.3Å; M138-F142 WeakPolarHBondContact O-CD2 3.21Å; M138-F142 PolarHBondContact O-N 3.36Å; M138-V155 HydrophobicContact SD-CG1 4.02Å |
| 139 | A | 94.5 | Very high | 95.6 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -50.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P135 R136 I137 A141 F142 D143 W171 | P135-A139 PolarHBondContact O-N 2.96Å; R136-A139 PolarHBondContact O-N 3.27Å; I137-A139 PolarHBondContact O-N 3.15Å; A139-A141 VanDerWaalsContact C-N 3.26Å; A139-A141 PolarHBondContact O-N 3.42Å; A139-F142 PolarHBondContact O-N 2.88Å; A139-F142 VanDerWaalsContact O-N 3.16Å; A139-D143 PolarHBondContact O-N 3.2Å; A139-W171 HydrophobicContact CB-CB 4.47Å; A139-W171 HydrophobicContact CB-CG 4.5Å |
| 140 | E | 95.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 33.3 Ų | 33.3 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -36.9 | 178.3 | -73.5 | 176 | -164.4 | 0 | 0 | 112.1 | F126 R136 I137 F142 D143 V144 | F126-E140 HydrophobicContact CZ-CB 3.9Å; R136-E140 WeakPolarHBondContact CD-OE1 3.47Å; R136-E140 HydrophobicContact CG-CG 4.32Å; R136-E140 WeakPolarHBondContact CG-OE1 3.42Å; R136-E140 IonicContact CZ-OE1 2.67Å; R136-E140 IonicContact NE-OE1 3.96Å; R136-E140 IonicContact NH1-OE1 3.07Å; R136-E140 PolarHBondContact NH1-OE1 2.97Å; R136-E140 IonicContact NH1-OE2 2.77Å; R136-E140 PolarHBondContact NH1-OE2 3.43Å; R136-E140 WeakPolarHBondContact O-CB 3.33Å; R136-E140 WeakPolarHBondContact O-CG 3.22Å; R136-E140 PolarHBondContact O-N 3.38Å; I137-E140 PolarHBondContact O-N 3.38Å; E140-F142 VanDerWaalsContact C-N 3.33Å; E140-F142 PolarHBondContact O-N 3.2Å; E140-D143 PolarHBondContact O-N 2.95Å; E140-V144 WeakPolarHBondContact O-CB 3.47Å; E140-V144 VanDerWaalsContact O-CG2 3.23Å; E140-V144 WeakPolarHBondContact O-CG2 3.43Å; E140-V144 PolarHBondContact O-N 2.98Å |
| 141 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V93 F126 I137 A139 A145 V153 V155 | V93-A141 HydrophobicContact CG1-CB 4.43Å; V93-A141 HydrophobicContact CG2-CB 4.49Å; F126-A141 HydrophobicContact CD2-CB 4.39Å; F126-A141 HydrophobicContact CE2-CB 4.07Å; I137-A141 VanDerWaalsContact O-CB 3.26Å; I137-A141 WeakPolarHBondContact O-CB 3.39Å; I137-A141 PolarHBondContact O-N 2.87Å; A139-A141 VanDerWaalsContact C-N 3.26Å; A139-A141 PolarHBondContact O-N 3.42Å; A141-A145 VanDerWaalsContact O-CB 3.23Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 2.98Å; A141-V153 HydrophobicContact CB-CB 4.5Å; A141-V153 HydrophobicContact CB-CG1 3.78Å; A141-V155 HydrophobicContact CB-CG2 3.53Å |
| 142 | F | 96.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.5 | -41.5 | 176.2 | -83 | -102.1 | 0 | 0 | 0 | 111.7 | L11 Q14 V16 T64 V66 V93 M138 A139 E140 V144 A145 C146 | L11-F142 HydrophobicContact CD2-CE2 4.2Å; L11-F142 HydrophobicContact CD2-CZ 3.85Å; Q14-F142 HydrophobicContact CB-CD1 3.75Å; Q14-F142 HydrophobicContact CB-CD2 4.49Å; Q14-F142 HydrophobicContact CB-CE1 3.75Å; Q14-F142 HydrophobicContact CB-CE2 4.47Å; Q14-F142 HydrophobicContact CB-CG 4.14Å; Q14-F142 HydrophobicContact CB-CZ 4.13Å; Q14-F142 HydrophobicContact CG-CB 4.19Å; Q14-F142 HydrophobicContact CG-CD1 3.85Å; Q14-F142 HydrophobicContact CG-CD2 3.87Å; Q14-F142 HydrophobicContact CG-CE1 4.17Å; Q14-F142 HydrophobicContact CG-CE2 4.17Å; Q14-F142 HydrophobicContact CG-CG 3.69Å; Q14-F142 HydrophobicContact CG-CZ 4.32Å; V16-F142 HydrophobicContact CG2-CE1 3.6Å; V16-F142 HydrophobicContact CG2-CZ 3.73Å; T64-F142 HydrophobicContact CG2-CD1 4.03Å; T64-F142 HydrophobicContact CG2-CE1 3.89Å; V66-F142 HydrophobicContact CG2-CE1 4.18Å; V66-F142 HydrophobicContact CG2-CZ 3.8Å; V93-F142 HydrophobicContact CB-CE2 4.15Å; V93-F142 HydrophobicContact CB-CZ 4.25Å; V93-F142 HydrophobicContact CG1-CD2 4.45Å; V93-F142 HydrophobicContact CG1-CE2 3.95Å; V93-F142 HydrophobicContact CG1-CZ 4.44Å; V93-F142 HydrophobicContact CG2-CD1 4.43Å; V93-F142 HydrophobicContact CG2-CD2 3.97Å; V93-F142 HydrophobicContact CG2-CE1 4.46Å; V93-F142 HydrophobicContact CG2-CE2 4.03Å; V93-F142 HydrophobicContact CG2-CG 4.19Å; V93-F142 HydrophobicContact CG2-CZ 4.27Å; M138-F142 HydrophobicContact CE-CE2 4.18Å; M138-F142 VanDerWaalsContact O-CD2 3.3Å; M138-F142 WeakPolarHBondContact O-CD2 3.21Å; M138-F142 PolarHBondContact O-N 3.36Å; A139-F142 PolarHBondContact O-N 2.88Å; A139-F142 VanDerWaalsContact O-N 3.16Å; E140-F142 VanDerWaalsContact C-N 3.33Å; E140-F142 PolarHBondContact O-N 3.2Å; F142-V144 PolarHBondContact O-N 2.94Å; F142-A145 PolarHBondContact O-N 3.33Å; F142-C146 WeakPolarHBondContact O-CB 3.39Å; F142-C146 PolarHBondContact O-N 3.39Å; F142-C146 PolarHBondContact O-SG 3.29Å |
| 143 | D | 94.3 | Very high | 96 | Very high | 52 Ų | 52 | 24.6 Ų | 24.6 | 28% | 0.278 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 176.5 | -67.9 | -22.8 | 0 | 0 | 0 | 111.2 | A139 E140 C146 S147 T173 | A139-D143 PolarHBondContact O-N 3.2Å; E140-D143 PolarHBondContact O-N 2.95Å; D143-C146 PolarHBondContact O-N 2.89Å; D143-S147 WeakPolarHBondContact O-CB 3.34Å; D143-S147 PolarHBondContact O-N 3.02Å; D143-S147 PolarHBondContact O-OG 2.66Å; D143-T173 WeakPolarHBondContact OD2-CB 3.34Å; D143-T173 WeakPolarHBondContact OD2-CG2 3.25Å; D143-T173 PolarHBondContact OD2-OG1 2.9Å |
| 144 | V | 95.7 | Very high | 96.1 | Very high | 41 Ų | 41 | 22.6 Ų | 22.6 | 25% | 0.248 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | K123 H124 E140 F142 C146 V153 | K123-V144 HydrophobicContact CB-CG1 4.12Å; K123-V144 VanDerWaalsContact CE-O 3.27Å; K123-V144 WeakPolarHBondContact CE-O 3.37Å; K123-V144 PolarHBondContact NZ-O 3.25Å; H124-V144 HydrophobicContact CB-CG1 3.92Å; E140-V144 WeakPolarHBondContact O-CB 3.47Å; E140-V144 VanDerWaalsContact O-CG2 3.23Å; E140-V144 WeakPolarHBondContact O-CG2 3.43Å; E140-V144 PolarHBondContact O-N 2.98Å; F142-V144 PolarHBondContact O-N 2.94Å; V144-C146 VanDerWaalsContact C-N 3.27Å; V144-C146 PolarHBondContact O-N 3.3Å; V144-V153 HydrophobicContact CB-CG2 4Å; V144-V153 HydrophobicContact CG1-CG2 3.69Å |
| 145 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T64 P91 V93 A141 F142 P150 G151 V153 | T64-A145 HydrophobicContact CG2-CB 4.43Å; P91-A145 HydrophobicContact CB-CB 4.45Å; V93-A145 HydrophobicContact CG2-CB 3.92Å; A141-A145 VanDerWaalsContact O-CB 3.23Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 2.98Å; F142-A145 PolarHBondContact O-N 3.33Å; A145-P150 CarbonylContact O-C 3.47Å; A145-P150 VanDerWaalsContact O-CA 3.22Å; A145-P150 WeakPolarHBondContact O-CA 3.25Å; A145-P150 WeakPolarHBondContact O-CB 3.41Å; A145-G151 VanDerWaalsContact CA-O 3.27Å; A145-G151 WeakPolarHBondContact CA-O 3.08Å; A145-G151 WeakPolarHBondContact CB-O 3.29Å; A145-G151 PolarHBondContact O-N 3.41Å; A145-V153 HydrophobicContact CB-CG2 3.99Å |
| 146 | C | 94.9 | Very high | 96.4 | Very high | 63 Ų | 63 | 22 Ų | 22 | 43% | 0.426 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -91.5 | -34.7 | -174.9 | -58.5 | 0 | 0 | 0 | 0 | 114.6 | T64 F142 D143 V144 | T64-C146 PolarHBondContact OG1-SG 2.89Å; F142-C146 WeakPolarHBondContact O-CB 3.39Å; F142-C146 PolarHBondContact O-N 3.39Å; F142-C146 PolarHBondContact O-SG 3.29Å; D143-C146 PolarHBondContact O-N 2.89Å; V144-C146 VanDerWaalsContact C-N 3.27Å; V144-C146 PolarHBondContact O-N 3.3Å |
| 147 | S | 92.4 | Very high | 96.6 | Very high | 45 Ų | 45 | 18.8 Ų | 18.8 | 32% | 0.315 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -72.5 | 150.7 | -169.1 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | K123 D143 R149 | K123-S147 PolarHBondContact NZ-O 3.22Å; D143-S147 WeakPolarHBondContact O-CB 3.34Å; D143-S147 PolarHBondContact O-N 3.02Å; D143-S147 PolarHBondContact O-OG 2.66Å; S147-R149 CarbonylContact O-C 3.54Å; S147-R149 PolarHBondContact O-N 2.88Å |
| 148 | G | 93.1 | Very high | 96.7 | Very high | 47 Ų | 47 | 18.7 Ų | 18.7 | 49% | 0.485 | 12% | 0.117 | S | C | . | . | S | Bend | trans | 59 | -127.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P150 | G148-P150 WeakPolarHBondContact O-CD 3.45Š|
| 149 | R | 95.6 | Very high | 96.8 | Very high | 52 Ų | 52 | 21.9 Ų | 21.9 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -75.9 | 117.6 | 165.3 | 177.9 | 179.5 | 177 | 173 | 3.5 | 108.8 | S89 K123 S147 I295 D296 E299 | S89-R149 PolarHBondContact OG-NE 2.89Å; S89-R149 PolarHBondContact OG-NH2 2.83Å; K123-R149 WeakPolarHBondContact CD-O 3.34Å; K123-R149 WeakPolarHBondContact CE-O 3.49Å; K123-R149 PolarHBondContact NZ-O 3.14Å; S147-R149 CarbonylContact O-C 3.54Å; S147-R149 PolarHBondContact O-N 2.88Å; R149-I295 HydrophobicContact CB-CG2 4.19Å; R149-D296 HydrophobicContact CB-CB 4.12Å; R149-D296 WeakPolarHBondContact CD-OD2 3.29Å; R149-D296 IonicContact NH1-OD2 3.38Å; R149-E299 IonicContact CZ-OE1 3.87Å; R149-E299 IonicContact NH1-OE1 2.86Å; R149-E299 PolarHBondContact NH1-OE1 2.86Å |
| 150 | P | 97.6 | Very high | 97 | Very high | 22 Ų | 22 | 24 Ų | 24 | 14% | 0.143 | 14% | 0.141 | C | C | . | . | trans | -63.3 | 160.8 | -178 | -20 | 31.7 | 0 | 0 | 0 | 112 | S89 P91 A145 G148 | S89-P150 CarbonylContact C-O 3.55Å; S89-P150 VanDerWaalsContact C-O 3.24Å; S89-P150 WeakPolarHBondContact CA-O 3.45Å; S89-P150 WeakPolarHBondContact CB-O 3.26Å; S89-P150 WeakPolarHBondContact O-CB 3.14Å; P91-P150 HydrophobicContact CB-CB 4.12Å; P91-P150 HydrophobicContact CG-CB 4.23Å; A145-P150 CarbonylContact O-C 3.47Å; A145-P150 VanDerWaalsContact O-CA 3.22Å; A145-P150 WeakPolarHBondContact O-CA 3.25Å; A145-P150 WeakPolarHBondContact O-CB 3.41Å; G148-P150 WeakPolarHBondContact O-CD 3.45Å | ||
| 151 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | 178.4 | 178.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I90 A145 | I90-G151 CarbonylContact O-C 3.49Å; I90-G151 WeakPolarHBondContact O-CA 3.49Å; A145-G151 VanDerWaalsContact CA-O 3.27Å; A145-G151 WeakPolarHBondContact CA-O 3.08Å; A145-G151 WeakPolarHBondContact CB-O 3.29Å; A145-G151 PolarHBondContact O-N 3.41Å | ||
| 152 | P | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 143.5 | -173.9 | 23.9 | -23.4 | 0 | 0 | 0 | 112.2 | L82 A85 L86 V92 C121 T122 K123 | L82-P152 HydrophobicContact CB-CB 4.46Å; L82-P152 HydrophobicContact CD2-CB 4.05Å; L82-P152 VanDerWaalsContact O-CG 3.24Å; L82-P152 WeakPolarHBondContact O-CG 3.48Å; A85-P152 HydrophobicContact CB-CB 4.03Å; A85-P152 HydrophobicContact CB-CG 3.82Å; L86-P152 VanDerWaalsContact CA-CD 3.41Å; L86-P152 HydrophobicContact CB-CG 3.77Å; V92-P152 HydrophobicContact CB-CB 4.18Å; V92-P152 CarbonylContact O-C 3.55Å; V92-P152 WeakPolarHBondContact O-CA 3.22Å; C121-P152 WeakPolarHBondContact O-CG 3.47Å; T122-P152 CarbonylContact C-O 3.59Å; T122-P152 WeakPolarHBondContact CA-O 3.46Å; T122-P152 WeakPolarHBondContact CB-O 3.28Å; T122-P152 HydrophobicContact CG2-CB 4.43Å; K123-P152 PolarHBondContact N-O 3.07Å |
| 153 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.4 | 170.6 | 178 | 0 | 0 | 0 | 0 | 108.9 | V92 V93 A94 K123 H124 F126 A141 V144 A145 | V92-V153 PolarHBondContact O-N 3.16Å; V93-V153 WeakPolarHBondContact CA-O 3.42Å; A94-V153 PolarHBondContact N-O 2.9Å; K123-V153 HydrophobicContact CB-CG2 4.46Å; H124-V153 VanDerWaalsContact O-CA 3.32Å; H124-V153 WeakPolarHBondContact O-CA 3.44Å; F126-V153 HydrophobicContact CD2-CG1 3.95Å; F126-V153 HydrophobicContact CE2-CG1 3.89Å; A141-V153 HydrophobicContact CB-CB 4.5Å; A141-V153 HydrophobicContact CB-CG1 3.78Å; V144-V153 HydrophobicContact CB-CG2 4Å; V144-V153 HydrophobicContact CG1-CG2 3.69Å; A145-V153 HydrophobicContact CB-CG2 3.99Å |
| 154 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.8 | 173.8 | -174.7 | 143.3 | 0 | 0 | 0 | 110.8 | L82 A94 T96 V114 T122 H124 S125 F126 D156 | L82-L154 HydrophobicContact CD1-CD1 3.93Å; A94-L154 CarbonylContact O-C 3.42Å; A94-L154 WeakPolarHBondContact O-CA 3.43Å; T96-L154 HydrophobicContact CG2-CD1 4.23Å; V114-L154 HydrophobicContact CG1-CD2 4.12Å; V114-L154 HydrophobicContact CG2-CD1 3.61Å; V114-L154 HydrophobicContact CG2-CD2 4.36Å; T122-L154 HydrophobicContact CG2-CB 4.22Å; H124-L154 PolarHBondContact O-N 3.41Å; S125-L154 CarbonylContact C-O 3.54Å; S125-L154 VanDerWaalsContact CA-O 3.3Å; S125-L154 WeakPolarHBondContact CA-O 3.5Å; F126-L154 PolarHBondContact N-O 3.27Å; L154-D156 HydrophobicContact CD2-CB 3.89Å |
| 155 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 106.7 | 173 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | V93 A94 I95 T96 F126 V128 I137 M138 A141 I157 | V93-V155 HydrophobicContact CG1-CG2 4.43Å; A94-V155 PolarHBondContact O-N 3.42Å; I95-V155 WeakPolarHBondContact CA-O 3.35Å; T96-V155 PolarHBondContact N-O 3.46Å; F126-V155 HydrophobicContact CD2-CG2 4.19Å; V128-V155 HydrophobicContact CG2-CG1 3.87Å; I137-V155 HydrophobicContact CG2-CG1 3.75Å; I137-V155 HydrophobicContact CG2-CG2 4.31Å; M138-V155 HydrophobicContact SD-CG1 4.02Å; A141-V155 HydrophobicContact CB-CG2 3.53Å; V155-I157 HydrophobicContact CG1-CD1 4.22Å; V155-I157 HydrophobicContact CG1-CG1 3.96Å |
| 156 | D | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.3 | 178.9 | -158.7 | 35.2 | 0 | 0 | 0 | 110.5 | T96 Q98 V114 F126 L127 V128 L154 | T96-D156 WeakPolarHBondContact CB-OD1 3.42Å; T96-D156 WeakPolarHBondContact OG1-CA 3.49Å; T96-D156 PolarHBondContact OG1-OD1 3.39Å; Q98-D156 WeakPolarHBondContact CB-OD2 3.37Å; Q98-D156 WeakPolarHBondContact CG-OD2 3.4Å; Q98-D156 PolarHBondContact NE2-OD2 3.15Å; V114-D156 HydrophobicContact CG1-CB 3.89Å; V114-D156 VanDerWaalsContact CG1-OD2 3.24Å; V114-D156 WeakPolarHBondContact CG1-OD2 3.42Å; F126-D156 PolarHBondContact O-N 2.77Å; L127-D156 HydrophobicContact CD1-CB 4.12Å; V128-D156 PolarHBondContact N-O 3.01Å; L154-D156 HydrophobicContact CD2-CB 3.89Å |
| 157 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 107.6 | -170.7 | -44.2 | -179.4 | 0 | 0 | 0 | 110.1 | V7 I95 T96 Q98 V128 L134 V155 I161 Q162 | V7-I157 HydrophobicContact CG2-CD1 3.55Å; I95-I157 HydrophobicContact CG2-CD1 3.77Å; I95-I157 HydrophobicContact CG2-CG1 4.39Å; T96-I157 PolarHBondContact O-N 3.03Å; Q98-I157 PolarHBondContact N-O 3.43Å; V128-I157 HydrophobicContact CB-CG2 4.47Å; V128-I157 HydrophobicContact CG2-CG1 4.03Å; L134-I157 HydrophobicContact CD1-CD1 4.02Å; V155-I157 HydrophobicContact CG1-CD1 4.22Å; V155-I157 HydrophobicContact CG1-CG1 3.96Å; I157-I161 HydrophobicContact CG2-CG2 4.27Å; I157-Q162 HydrophobicContact CB-CG 4.18Å; I157-Q162 HydrophobicContact CG2-CG 3.57Å; I157-Q162 PolarHBondContact O-NE2 2.87Å |
| 158 | P | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 138.2 | 172.1 | -29.8 | 36.5 | 0 | 0 | 0 | 113.6 | Q98 A101 I104 L127 V128 D160 I161 Q162 | Q98-P158 HydrophobicContact CB-CG 4.43Å; A101-P158 HydrophobicContact CB-CB 4.49Å; I104-P158 HydrophobicContact CD1-CG 4.12Å; L127-P158 HydrophobicContact CD1-CG 4.02Å; V128-P158 WeakPolarHBondContact O-CD 3.43Å; V128-P158 WeakPolarHBondContact O-CG 3.47Å; P158-D160 VanDerWaalsContact C-N 3.27Å; P158-D160 WeakPolarHBondContact CB-OD1 3.29Å; P158-D160 PolarHBondContact O-N 2.91Å; P158-I161 HydrophobicContact CB-CB 4.48Å; P158-I161 HydrophobicContact CB-CD1 3.99Å; P158-I161 HydrophobicContact CB-CG1 4.25Å; P158-I161 HydrophobicContact CG-CD1 3.87Å; P158-I161 WeakPolarHBondContact O-CB 3.37Å; P158-I161 PolarHBondContact O-N 2.79Å; P158-Q162 PolarHBondContact O-N 2.91Å |
| 159 | K | 98.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 30% | 0.296 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.5 | -36.8 | -176.1 | -179.6 | 176.1 | -176.6 | 162.4 | 0 | 113.7 | G25 P29 Q98 Q162 L163 | G25-K159 PolarHBondContact O-NZ 3.09Å; P29-K159 HydrophobicContact CG-CG 4.3Å; Q98-K159 PolarHBondContact O-N 2.88Å; K159-Q162 PolarHBondContact O-N 3.06Å; K159-L163 HydrophobicContact CG-CD1 4.17Å; K159-L163 WeakPolarHBondContact O-CG 3.15Å; K159-L163 PolarHBondContact O-N 2.99Å; K159-L163 VanDerWaalsContact O-N 3.15Å |
| 160 | D | 98.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 39 Ų | 39 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.3 | -35.3 | 176.7 | 54.7 | -30.8 | 0 | 0 | 0 | 112.4 | S100 A101 P158 L163 A164 | S100-D160 WeakPolarHBondContact CA-OD1 3.43Å; S100-D160 PolarHBondContact OG-N 3Å; A101-D160 WeakPolarHBondContact CB-OD2 3.41Å; A101-D160 PolarHBondContact N-OD1 3.19Å; A101-D160 PolarHBondContact N-OD2 2.85Å; P158-D160 VanDerWaalsContact C-N 3.27Å; P158-D160 WeakPolarHBondContact CB-OD1 3.29Å; P158-D160 PolarHBondContact O-N 2.91Å; D160-L163 PolarHBondContact O-N 3.03Å; D160-A164 WeakPolarHBondContact O-CB 3.41Å; D160-A164 PolarHBondContact O-N 3.45Å |
| 161 | I | 98.5 | Very high | 94.9 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.1 | -39.6 | 173 | -65.4 | 171 | 0 | 0 | 0 | 111 | V128 I157 P158 L163 A164 | V128-I161 HydrophobicContact CG1-CD1 4.22Å; V128-I161 HydrophobicContact CG1-CG2 3.98Å; V128-I161 WeakPolarHBondContact O-CD1 3.38Å; I157-I161 HydrophobicContact CG2-CG2 4.27Å; P158-I161 HydrophobicContact CB-CB 4.48Å; P158-I161 HydrophobicContact CB-CD1 3.99Å; P158-I161 HydrophobicContact CB-CG1 4.25Å; P158-I161 HydrophobicContact CG-CD1 3.87Å; P158-I161 WeakPolarHBondContact O-CB 3.37Å; P158-I161 PolarHBondContact O-N 2.79Å; I161-L163 PolarHBondContact O-N 3.11Å; I161-A164 PolarHBondContact O-N 3.02Å |
| 162 | Q | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -33.3 | 174.5 | -59.9 | 170.2 | 43.6 | 0 | 0 | 112.3 | G3 A4 A26 P29 V30 I157 P158 K159 | G3-Q162 CarbonylContact C-O 3.54Å; G3-Q162 PolarHBondContact N-O 2.91Å; A4-Q162 HydrophobicContact CB-CB 4.38Å; A4-Q162 PolarHBondContact N-O 2.97Å; A26-Q162 PolarHBondContact O-NE2 3.37Å; A26-Q162 PolarHBondContact O-OE1 3Å; P29-Q162 HydrophobicContact CB-CB 3.81Å; P29-Q162 HydrophobicContact CG-CB 4.13Å; V30-Q162 HydrophobicContact CG2-CG 4.22Å; I157-Q162 HydrophobicContact CB-CG 4.18Å; I157-Q162 HydrophobicContact CG2-CG 3.57Å; I157-Q162 PolarHBondContact O-NE2 2.87Å; P158-Q162 PolarHBondContact O-N 2.91Å; K159-Q162 PolarHBondContact O-N 3.06Å |
| 163 | L | 98.1 | Very high | 92.5 | Very high | 93 Ų | 93 | 55.2 Ų | 55.2 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -86.1 | -24.5 | 179.6 | -71.3 | 168.6 | 0 | 0 | 0 | 113.5 | P29 K159 D160 I161 S165 | P29-L163 HydrophobicContact CB-CD2 4.1Å; P29-L163 HydrophobicContact CB-CG 4.39Å; P29-L163 HydrophobicContact CG-CD1 4.49Å; P29-L163 HydrophobicContact CG-CD2 3.82Å; P29-L163 HydrophobicContact CG-CG 3.87Å; K159-L163 HydrophobicContact CG-CD1 4.17Å; K159-L163 WeakPolarHBondContact O-CG 3.15Å; K159-L163 PolarHBondContact O-N 2.99Å; K159-L163 VanDerWaalsContact O-N 3.15Å; D160-L163 PolarHBondContact O-N 3.03Å; I161-L163 PolarHBondContact O-N 3.11Å; L163-S165 PolarHBondContact O-N 3.29Å |
| 164 | A | 97.8 | Very high | 90.8 | Very high | 37 Ų | 37 | 61.6 Ų | 61.6 | 31% | 0.306 | 33% | 0.332 | S | S | . | . | trans | -57.3 | 138.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N2 G3 L131 D160 I161 | N2-A164 CarbonylContact C-O 3.59Å; N2-A164 WeakPolarHBondContact CA-O 3.27Å; N2-A164 WeakPolarHBondContact CB-O 3.08Å; G3-A164 PolarHBondContact N-O 3.06Å; L131-A164 HydrophobicContact CB-CB 4.18Å; L131-A164 HydrophobicContact CD2-CB 3.95Å; L131-A164 HydrophobicContact CG-CB 4.49Å; D160-A164 WeakPolarHBondContact O-CB 3.41Å; D160-A164 PolarHBondContact O-N 3.45Å; I161-A164 PolarHBondContact O-N 3.02Å | ||
| 165 | S | 96.9 | Very high | 88.8 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | B | Isolated β-bridge | trans | -108.9 | 137.2 | -179.6 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | M1 L131 L163 | M1-S165 WeakPolarHBondContact O-CA 3.47Å; L131-S165 VanDerWaalsContact CD2-C 3.47Å; L163-S165 PolarHBondContact O-N 3.29Å |
| 166 | G | 93.4 | Very high | 87.1 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 24% | 0.237 | 40% | 0.401 | C | S | . | . | trans | -168.5 | 155.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 W6 | M1-G166 PolarHBondContact N-O 3.01Å; M1-G166 PolarHBondContact O-N 2.97Å; W6-G166 PolarHBondContact NE1-O 3.14Å | ||
| 167 | D | 89.9 | Confident | 85.4 | Confident | 155 Ų | 155 | 80.6 Ų | 80.6 | 83% | 0.829 | 43% | 0.432 | S | S | * | . | trans | -94.6 | 113.9 | 167 | -74.3 | -22.9 | 0 | 0 | 0 | 107.6 | ||||
| 168 | L | 89.1 | Confident | 83.9 | Confident | 29 Ų | 29 | 89 Ų | 89 | 15% | 0.152 | 47% | 0.471 | C | S | . | . | trans | -110 | 153.4 | -179.1 | -51 | 177.3 | 0 | 0 | 0 | 109.3 | W6 L131 P135 | W6-L168 HydrophobicContact CD2-CB 4.25Å; W6-L168 HydrophobicContact CD2-CD1 3.97Å; W6-L168 HydrophobicContact CD2-CG 4.39Å; W6-L168 HydrophobicContact CG-CD1 3.86Å; W6-L168 HydrophobicContact CH2-CB 4.03Å; W6-L168 WeakPolarHBondContact CH2-O 3.12Å; W6-L168 HydrophobicContact CZ2-CB 3.56Å; W6-L168 HydrophobicContact CZ2-CG 4.19Å; W6-L168 VanDerWaalsContact CZ2-O 3.22Å; W6-L168 WeakPolarHBondContact CZ2-O 3.45Å; L131-L168 HydrophobicContact CD1-CD1 4.04Å; L131-L168 HydrophobicContact CG-CD1 4.02Å; L131-L168 HydrophobicContact CG-CD2 4.32Å; L131-L168 VanDerWaalsContact O-CD1 3.23Å; L131-L168 WeakPolarHBondContact O-CD1 2.81Å; P135-L168 HydrophobicContact CG-CB 3.88Å; P135-L168 HydrophobicContact CG-CD1 3.5Å; P135-L168 VanDerWaalsContact CG-CD1 3.5Å; P135-L168 HydrophobicContact CG-CG 4.32Å | ||
| 169 | E | 83.9 | Confident | 82.6 | Confident | 168 Ų | 168 | 92.4 Ų | 92.4 | 79% | 0.785 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 135.7 | 168.9 | -71.8 | -74.6 | 156.7 | 0 | 0 | 109.1 | W171 | E169-W171 PolarHBondContact O-N 3.43Š|
| 170 | P | 78.6 | Confident | 81.9 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 38% | 0.383 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 134.3 | 169.7 | -22.4 | 33 | 0 | 0 | 0 | 110.9 | F172 | P170-F172 HydrophobicContact CB-CE2 3.94Å; P170-F172 HydrophobicContact CB-CZ 4.09Å |
| 171 | W | 83.3 | Confident | 81.6 | Confident | 132 Ų | 132 | 95.4 Ų | 95.4 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 132.4 | 175.8 | -173 | -90.8 | 0 | 0 | 0 | 110.6 | P135 R136 A139 E169 | P135-W171 HydrophobicContact CB-CB 4.22Å; R136-W171 HydrophobicContact CB-CB 4.34Å; R136-W171 HydrophobicContact CB-CD2 3.79Å; R136-W171 HydrophobicContact CB-CE3 4.06Å; R136-W171 HydrophobicContact CB-CG 3.91Å; R136-W171 HydrophobicContact CG-CD2 3.85Å; R136-W171 HydrophobicContact CG-CE3 4.29Å; R136-W171 HydrophobicContact CG-CG 4.21Å; R136-W171 HydrophobicContact CG-CH2 4.45Å; R136-W171 HydrophobicContact CG-CZ2 4.02Å; A139-W171 HydrophobicContact CB-CB 4.47Å; A139-W171 HydrophobicContact CB-CG 4.5Å; E169-W171 PolarHBondContact O-N 3.43Å |
| 172 | F | 76.2 | Confident | 81.4 | Confident | 164 Ų | 164 | 95.9 Ų | 95.9 | 72% | 0.719 | 52% | 0.516 | S | S | * | . | trans | -118.8 | 122 | 173.3 | -61 | -81.5 | 0 | 0 | 0 | 109.1 | P170 | P170-F172 HydrophobicContact CB-CE2 3.94Å; P170-F172 HydrophobicContact CB-CZ 4.09Å | ||
| 173 | T | 70.1 | Confident | 81.2 | Confident | 66 Ų | 66 | 102.7 Ų | 102.7 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | trans | -68.8 | 134.5 | 169.5 | -123.9 | 0 | 0 | 0 | 0 | 108.8 | D143 | D143-T173 WeakPolarHBondContact OD2-CB 3.34Å; D143-T173 WeakPolarHBondContact OD2-CG2 3.25Å; D143-T173 PolarHBondContact OD2-OG1 2.9Å | ||
| 174 | T | 62 | Low | 81.1 | Confident | 133 Ų | 133 | 101.1 Ų | 101.1 | 82% | 0.816 | 55% | 0.548 | S | S | * | . | trans | -115.2 | 2.7 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | E176 | T174-E176 PolarHBondContact O-N 3.34Š| ||
| 175 | V | 57.8 | Low | 81.1 | Confident | 107 Ų | 107 | 103 Ų | 103 | 65% | 0.648 | 55% | 0.55 | S | S | * | * | trans | -92.5 | 95.9 | -174.3 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | N177 | V175-N177 PolarHBondContact O-N 3.09Š| ||
| 176 | E | 61.7 | Low | 81.2 | Confident | 171 Ų | 171 | 98.7 Ų | 98.7 | 80% | 0.799 | 52% | 0.52 | S | S | * | . | trans | -71.6 | 121.1 | 160.2 | -72 | -176.7 | 174.8 | 0 | 0 | 108 | T174 E178 | T174-E176 PolarHBondContact O-N 3.34Å; E176-E178 VanDerWaalsContact C-N 3.35Å; E176-E178 PolarHBondContact O-N 3.03Å | ||
| 177 | N | 64.4 | Low | 81.4 | Confident | 125 Ų | 125 | 102 Ų | 102 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | trans | -71.8 | 94.4 | 169.1 | -83.4 | -34.5 | 0 | 0 | 0 | 108.2 | V175 V179 | V175-N177 PolarHBondContact O-N 3.09Å; N177-V179 PolarHBondContact O-N 3.16Å | ||
| 178 | E | 65.9 | Low | 81.8 | Confident | 177 Ų | 177 | 99.3 Ų | 99.3 | 83% | 0.827 | 51% | 0.512 | S | S | * | . | trans | -66.6 | 104 | 171.8 | -78.8 | -170.9 | 158.9 | 0 | 0 | 109.7 | E176 T180 | E176-E178 VanDerWaalsContact C-N 3.35Å; E176-E178 PolarHBondContact O-N 3.03Å; E178-T180 PolarHBondContact O-N 2.81Å | ||
| 179 | V | 71.7 | Confident | 82.3 | Confident | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | trans | -83.6 | 108.2 | 167 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | N177 F181 | N177-V179 PolarHBondContact O-N 3.16Å; V179-F181 PolarHBondContact O-N 3.25Å | ||
| 180 | T | 84 | Confident | 83 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 74% | 0.742 | 48% | 0.48 | S | S | * | . | trans | -60.6 | 126.3 | 176.6 | -55 | 0 | 0 | 0 | 0 | 110.7 | E178 | E178-T180 PolarHBondContact O-N 2.81Š| ||
| 181 | F | 91.5 | Very high | 83.9 | Confident | 62 Ų | 62 | 94.7 Ų | 94.7 | 27% | 0.272 | 48% | 0.482 | S | S | . | . | trans | -67.5 | 124.7 | 178.6 | -171.1 | -92.8 | 0 | 0 | 0 | 111.3 | V179 H183 V186 A316 L317 A320 | V179-F181 PolarHBondContact O-N 3.25Å; F181-H183 VanDerWaalsContact C-N 3.34Å; F181-H183 AromaticContact CD1-CD2 3.83Å; F181-H183 AromaticContact CD1-CE1 3.54Å; F181-H183 AromaticContact CD1-CG 3.78Å; F181-H183 AromaticContact CD1-ND1 3.59Å; F181-H183 AromaticContact CD1-NE2 3.7Å; F181-H183 AromaticContact CE1-ND1 3.86Å; F181-H183 PolarHBondContact O-CD2 3.21Å; F181-H183 PolarHBondContact O-N 3.27Å; F181-V186 HydrophobicContact CE1-CB 4.37Å; F181-V186 HydrophobicContact CE1-CG2 3.89Å; F181-V186 HydrophobicContact CZ-CG1 4.49Å; F181-V186 HydrophobicContact CZ-CG2 3.8Å; F181-A316 HydrophobicContact CD2-CB 4.1Å; F181-A316 HydrophobicContact CE2-CB 3.87Å; F181-L317 HydrophobicContact CE2-CD2 4.09Å; F181-A320 HydrophobicContact CE2-CB 4.48Å; F181-A320 HydrophobicContact CZ-CB 3.69Å | ||
| 182 | P | 93.9 | Very high | 84.6 | Confident | 20 Ų | 20 | 90.4 Ų | 90.4 | 13% | 0.13 | 47% | 0.468 | C | S | . | . | trans | -83.3 | 72.8 | -172.1 | 33.9 | -36.3 | 0 | 0 | 0 | 112 | A184 E185 V186 L310 L317 | P182-A184 VanDerWaalsContact C-N 3.33Å; P182-A184 PolarHBondContact O-N 2.91Å; P182-E185 HydrophobicContact CB-CB 4.2Å; P182-E185 HydrophobicContact CB-CG 4.48Å; P182-E185 WeakPolarHBondContact CB-OE2 3.35Å; P182-E185 PolarHBondContact O-N 2.8Å; P182-V186 HydrophobicContact CG-CG2 4.31Å; P182-V186 WeakPolarHBondContact O-CB 3.24Å; P182-V186 VanDerWaalsContact O-CG2 3.27Å; P182-V186 WeakPolarHBondContact O-CG2 3.29Å; P182-V186 PolarHBondContact O-N 3.08Å; P182-L310 HydrophobicContact CG-CD2 4.08Å; P182-L317 HydrophobicContact CG-CD2 3.97Å | ||
| 183 | H | 95.3 | Very high | 85.6 | Confident | 143 Ų | 143 | 82.7 Ų | 82.7 | 66% | 0.662 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -56 | -41 | -173.3 | -74 | -80.1 | 0 | 0 | 0 | 114.3 | F181 E187 | F181-H183 VanDerWaalsContact C-N 3.34Å; F181-H183 AromaticContact CD1-CD2 3.83Å; F181-H183 AromaticContact CD1-CE1 3.54Å; F181-H183 AromaticContact CD1-CG 3.78Å; F181-H183 AromaticContact CD1-ND1 3.59Å; F181-H183 AromaticContact CD1-NE2 3.7Å; F181-H183 AromaticContact CE1-ND1 3.86Å; F181-H183 PolarHBondContact O-CD2 3.21Å; F181-H183 PolarHBondContact O-N 3.27Å; H183-E187 PolarHBondContact O-N 3.05Å |
| 184 | A | 96.6 | Very high | 86.9 | Confident | 61 Ų | 61 | 82.7 Ų | 82.7 | 50% | 0.504 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.2 | -43.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P182 E187 Q188 | P182-A184 VanDerWaalsContact C-N 3.33Å; P182-A184 PolarHBondContact O-N 2.91Å; A184-E187 PolarHBondContact O-N 2.61Å; A184-Q188 WeakPolarHBondContact O-CG 3.49Å; A184-Q188 PolarHBondContact O-N 2.86Å |
| 185 | E | 97.8 | Very high | 88.6 | Confident | 75 Ų | 75 | 83.6 Ų | 83.6 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 178.3 | -63.9 | 71.6 | -161.7 | 0 | 0 | 110.8 | P182 E187 Q188 A189 V308 L310 | P182-E185 HydrophobicContact CB-CB 4.2Å; P182-E185 HydrophobicContact CB-CG 4.48Å; P182-E185 WeakPolarHBondContact CB-OE2 3.35Å; P182-E185 PolarHBondContact O-N 2.8Å; E185-E187 VanDerWaalsContact C-N 3.34Å; E185-E187 PolarHBondContact O-N 2.66Å; E185-Q188 WeakPolarHBondContact O-CB 3.28Å; E185-Q188 PolarHBondContact O-N 2.73Å; E185-A189 WeakPolarHBondContact O-CB 3.45Å; E185-A189 PolarHBondContact O-N 3.17Å; E185-V308 HydrophobicContact CB-CG1 3.93Å; E185-V308 WeakPolarHBondContact O-CG1 3.35Å; E185-L310 HydrophobicContact CB-CD2 3.55Å |
| 186 | V | 98.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 79 Ų | 79 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 173.7 | 166.3 | 0 | 0 | 0 | 0 | 110.9 | F181 P182 Q188 A189 R190 L310 L317 A320 L321 | F181-V186 HydrophobicContact CE1-CB 4.37Å; F181-V186 HydrophobicContact CE1-CG2 3.89Å; F181-V186 HydrophobicContact CZ-CG1 4.49Å; F181-V186 HydrophobicContact CZ-CG2 3.8Å; P182-V186 HydrophobicContact CG-CG2 4.31Å; P182-V186 WeakPolarHBondContact O-CB 3.24Å; P182-V186 VanDerWaalsContact O-CG2 3.27Å; P182-V186 WeakPolarHBondContact O-CG2 3.29Å; P182-V186 PolarHBondContact O-N 3.08Å; V186-Q188 PolarHBondContact O-N 3.27Å; V186-A189 PolarHBondContact O-N 3.41Å; V186-R190 WeakPolarHBondContact O-CG 3.28Å; V186-R190 PolarHBondContact O-N 2.68Å; V186-L310 HydrophobicContact CG2-CD2 3.83Å; V186-L317 HydrophobicContact CG2-CD2 4.01Å; V186-A320 HydrophobicContact CG1-CB 3.83Å; V186-L321 HydrophobicContact CG1-CD2 4.09Å |
| 187 | E | 98.2 | Very high | 92.3 | Very high | 92 Ų | 92 | 76.5 Ų | 76.5 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.4 | -179.5 | 52.9 | -150.3 | 0 | 0 | 111.8 | H183 A184 E185 A189 R190 Q191 | H183-E187 PolarHBondContact O-N 3.05Å; A184-E187 PolarHBondContact O-N 2.61Å; E185-E187 VanDerWaalsContact C-N 3.34Å; E185-E187 PolarHBondContact O-N 2.66Å; E187-A189 PolarHBondContact O-N 3.33Å; E187-R190 PolarHBondContact O-N 3.48Å; E187-Q191 WeakPolarHBondContact O-CG 3.14Å; E187-Q191 PolarHBondContact O-N 2.91Å; E187-Q191 PolarHBondContact OE1-NE2 3.49Å |
| 188 | Q | 98.3 | Very high | 94 | Very high | 99 Ų | 99 | 75 Ų | 75 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 172.8 | -69.3 | 173.9 | 4 | 0 | 0 | 111.9 | A184 E185 V186 Q191 M192 V308 | A184-Q188 WeakPolarHBondContact O-CG 3.49Å; A184-Q188 PolarHBondContact O-N 2.86Å; E185-Q188 WeakPolarHBondContact O-CB 3.28Å; E185-Q188 PolarHBondContact O-N 2.73Å; V186-Q188 PolarHBondContact O-N 3.27Å; Q188-Q191 PolarHBondContact O-N 2.77Å; Q188-M192 WeakPolarHBondContact O-CG 3.49Å; Q188-M192 PolarHBondContact O-N 2.97Å; Q188-V308 HydrophobicContact CB-CG2 3.94Å |
| 189 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E185 V186 E187 Q191 M192 L193 I291 V308 L310 L321 | E185-A189 WeakPolarHBondContact O-CB 3.45Å; E185-A189 PolarHBondContact O-N 3.17Å; V186-A189 PolarHBondContact O-N 3.41Å; E187-A189 PolarHBondContact O-N 3.33Å; A189-Q191 VanDerWaalsContact C-N 3.31Å; A189-Q191 PolarHBondContact O-N 3.18Å; A189-M192 PolarHBondContact O-N 2.96Å; A189-L193 VanDerWaalsContact O-CB 3.28Å; A189-L193 WeakPolarHBondContact O-CB 3.31Å; A189-L193 PolarHBondContact O-N 2.86Å; A189-I291 HydrophobicContact CB-CD1 3.85Å; A189-I291 HydrophobicContact CB-CG1 4.38Å; A189-I291 HydrophobicContact CB-CG2 4.35Å; A189-V308 HydrophobicContact CB-CG1 4.12Å; A189-L310 HydrophobicContact CB-CD1 4.03Å; A189-L321 HydrophobicContact CB-CD2 3.62Å |
| 190 | R | 98.4 | Very high | 96.8 | Very high | 69 Ų | 69 | 63.1 Ų | 63.1 | 26% | 0.26 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 174.2 | -72.8 | -173 | 68.1 | 85.1 | 9.3 | 111.8 | V186 E187 L193 A194 A320 L321 Q322 Q323 | V186-R190 WeakPolarHBondContact O-CG 3.28Å; V186-R190 PolarHBondContact O-N 2.68Å; E187-R190 PolarHBondContact O-N 3.48Å; R190-L193 PolarHBondContact O-N 2.97Å; R190-A194 WeakPolarHBondContact O-CB 3.47Å; R190-A194 PolarHBondContact O-N 2.91Å; R190-A320 WeakPolarHBondContact CD-O 3.22Å; R190-A320 PolarHBondContact NH1-O 3.34Å; R190-L321 HydrophobicContact CG-CD2 3.8Å; R190-Q322 PolarHBondContact NH1-O 3.3Å; R190-Q322 PolarHBondContact NH2-O 3.45Å; R190-Q323 PolarHBondContact O-NE2 3.42Å |
| 191 | Q | 98.2 | Very high | 97.5 | Very high | 90 Ų | 90 | 57.4 Ų | 57.4 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 178.8 | -69.4 | 174 | 18.3 | 0 | 0 | 112.8 | E187 Q188 A189 L193 A194 K195 | E187-Q191 WeakPolarHBondContact O-CG 3.14Å; E187-Q191 PolarHBondContact O-N 2.91Å; E187-Q191 PolarHBondContact OE1-NE2 3.49Å; Q188-Q191 PolarHBondContact O-N 2.77Å; A189-Q191 VanDerWaalsContact C-N 3.31Å; A189-Q191 PolarHBondContact O-N 3.18Å; Q191-L193 VanDerWaalsContact C-N 3.35Å; Q191-A194 PolarHBondContact O-N 3.19Å; Q191-K195 WeakPolarHBondContact O-CG 3.28Å; Q191-K195 PolarHBondContact O-N 2.85Å |
| 192 | M | 98.2 | Very high | 97.9 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 21% | 0.207 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 173.2 | -72.7 | 177.5 | 68.6 | 0 | 0 | 110.8 | Q188 A189 A194 K195 A196 L265 S289 I291 H307 V308 | Q188-M192 WeakPolarHBondContact O-CG 3.49Å; Q188-M192 PolarHBondContact O-N 2.97Å; A189-M192 PolarHBondContact O-N 2.96Å; M192-A194 VanDerWaalsContact C-N 3.34Å; M192-A194 PolarHBondContact O-N 2.84Å; M192-K195 PolarHBondContact O-N 2.82Å; M192-K195 VanDerWaalsContact O-N 3.16Å; M192-A196 PolarHBondContact O-N 2.85Å; M192-A196 VanDerWaalsContact O-N 3.09Å; M192-L265 HydrophobicContact CE-CD1 3.78Å; M192-S289 VanDerWaalsContact CE-CB 3.44Å; M192-I291 HydrophobicContact CB-CD1 4.29Å; M192-I291 HydrophobicContact CE-CG1 4.21Å; M192-I291 HydrophobicContact SD-CG1 4.26Å; M192-H307 HydrophobicContact CE-CB 3.89Å; M192-H307 HydrophobicContact SD-CB 4.43Å; M192-V308 HydrophobicContact SD-CB 4.33Å; M192-V308 HydrophobicContact SD-CG2 3.44Å; M192-V308 WeakPolarHBondContact SD-CG2 3.45Å |
| 193 | L | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 179.9 | -178.1 | 55.9 | 0 | 0 | 0 | 112.3 | A189 R190 Q191 K195 A196 P199 F219 M225 L265 I267 Q323 L325 | A189-L193 VanDerWaalsContact O-CB 3.28Å; A189-L193 WeakPolarHBondContact O-CB 3.31Å; A189-L193 PolarHBondContact O-N 2.86Å; R190-L193 PolarHBondContact O-N 2.97Å; Q191-L193 VanDerWaalsContact C-N 3.35Å; L193-K195 VanDerWaalsContact C-N 3.27Å; L193-K195 PolarHBondContact O-N 2.9Å; L193-A196 PolarHBondContact O-N 3.37Å; L193-P199 HydrophobicContact CD1-CB 4.21Å; L193-F219 HydrophobicContact CD2-CE2 4.37Å; L193-F219 HydrophobicContact CD2-CZ 4.3Å; L193-M225 HydrophobicContact CD1-SD 3.7Å; L193-L265 HydrophobicContact CB-CD2 4.25Å; L193-L265 HydrophobicContact CD1-CD2 3.92Å; L193-I267 HydrophobicContact CD1-CD1 3.92Å; L193-I267 HydrophobicContact CD2-CD1 4.49Å; L193-Q323 HydrophobicContact CD2-CG 4.23Å; L193-L325 HydrophobicContact CD1-CD1 3.71Å; L193-L325 HydrophobicContact CD1-CD2 4.1Å; L193-L325 HydrophobicContact CD2-CD2 4.5Å; L193-L325 HydrophobicContact CG-CD1 4.27Å; L193-L325 HydrophobicContact CG-CD2 3.83Å |
| 194 | A | 97.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 46.8 Ų | 46.8 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.1 | -23.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R190 Q191 M192 | R190-A194 WeakPolarHBondContact O-CB 3.47Å; R190-A194 PolarHBondContact O-N 2.91Å; Q191-A194 PolarHBondContact O-N 3.19Å; M192-A194 VanDerWaalsContact C-N 3.34Å; M192-A194 PolarHBondContact O-N 2.84Å |
| 195 | K | 97.7 | Very high | 98.3 | Very high | 153 Ų | 153 | 44.3 Ų | 44.3 | 67% | 0.665 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -90.8 | -24.2 | 179 | -70.2 | 171.8 | -175.8 | 171.6 | 0 | 113 | Q191 M192 L193 Q197 | Q191-K195 WeakPolarHBondContact O-CG 3.28Å; Q191-K195 PolarHBondContact O-N 2.85Å; M192-K195 PolarHBondContact O-N 2.82Å; M192-K195 VanDerWaalsContact O-N 3.16Å; L193-K195 VanDerWaalsContact C-N 3.27Å; L193-K195 PolarHBondContact O-N 2.9Å; K195-Q197 PolarHBondContact O-NE2 3.39Å |
| 196 | A | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | trans | -60.5 | 136.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M192 L193 P199 L265 | M192-A196 PolarHBondContact O-N 2.85Å; M192-A196 VanDerWaalsContact O-N 3.09Å; L193-A196 PolarHBondContact O-N 3.37Å; A196-P199 HydrophobicContact CB-CB 3.92Å; A196-P199 HydrophobicContact CB-CG 4.29Å; A196-L265 HydrophobicContact CB-CB 3.78Å; A196-L265 HydrophobicContact CB-CD2 3.74Å; A196-L265 HydrophobicContact CB-CG 4.42Å | ||
| 197 | Q | 98.4 | Very high | 98.3 | Very high | 119 Ų | 119 | 41.1 Ų | 41.1 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -101 | -27.9 | 174.7 | -59.4 | -57.6 | -59.2 | 0 | 0 | 111.4 | K195 P199 D264 W330 | K195-Q197 PolarHBondContact O-NE2 3.39Å; Q197-P199 VanDerWaalsContact C-CD 3.42Å; Q197-D264 PolarHBondContact N-OD2 3.36Å; Q197-W330 WeakPolarHBondContact O-CB 3.43Å |
| 198 | K | 98.7 | Very high | 98.2 | Very high | 93 Ų | 93 | 37.2 Ų | 37.2 | 40% | 0.404 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -130.2 | 56.3 | -178.7 | -55.3 | -178.2 | -168.7 | -178.1 | 0 | 112.1 | E262 C263 D264 W330 | K198-E262 WeakPolarHBondContact CD-O 3.33Å; K198-C263 VanDerWaalsContact O-CA 3.32Å; K198-C263 WeakPolarHBondContact O-CA 3.22Å; K198-C263 WeakPolarHBondContact O-CB 3.43Å; K198-D264 VanDerWaalsContact CA-OD1 3.25Å; K198-D264 WeakPolarHBondContact CA-OD1 3.27Å; K198-D264 HydrophobicContact CB-CB 4.37Å; K198-D264 VanDerWaalsContact N-CG 3.25Å; K198-D264 PolarHBondContact N-OD1 2.95Å; K198-D264 PolarHBondContact N-OD2 2.62Å; K198-D264 VanDerWaalsContact N-OD2 3.15Å; K198-D264 PolarHBondContact O-N 3.17Å; K198-D264 VanDerWaalsContact O-N 3.14Å; K198-D264 VanDerWaalsContact O-OD1 3.1Å; K198-W330 VanDerWaalsContact CA-CD1 3.48Å; K198-W330 HydrophobicContact CB-CD2 3.7Å; K198-W330 HydrophobicContact CB-CE3 4.06Å; K198-W330 HydrophobicContact CB-CG 4.01Å; K198-W330 HydrophobicContact CB-CZ2 4.23Å; K198-W330 HydrophobicContact CB-CZ3 4.46Å; K198-W330 HydrophobicContact CD-CD2 4.45Å; K198-W330 HydrophobicContact CD-CE3 3.97Å; K198-W330 HydrophobicContact CD-CZ3 4.04Å; K198-W330 HydrophobicContact CG-CD2 3.89Å; K198-W330 HydrophobicContact CG-CE3 3.83Å; K198-W330 HydrophobicContact CG-CG 4.19Å; K198-W330 HydrophobicContact CG-CZ3 4.36Å |
| 199 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 144.3 | -178.5 | 34.6 | -38.5 | 0 | 0 | 0 | 111 | L193 A196 Q197 M225 L265 L325 I327 W330 | L193-P199 HydrophobicContact CD1-CB 4.21Å; A196-P199 HydrophobicContact CB-CB 3.92Å; A196-P199 HydrophobicContact CB-CG 4.29Å; Q197-P199 VanDerWaalsContact C-CD 3.42Å; P199-M225 HydrophobicContact CB-CE 3.61Å; P199-M225 HydrophobicContact CB-CG 4.4Å; P199-M225 HydrophobicContact CB-SD 4.14Å; P199-M225 HydrophobicContact CG-CE 4.28Å; P199-M225 HydrophobicContact CG-CG 4.06Å; P199-M225 HydrophobicContact CG-SD 4.38Å; P199-L265 CarbonylContact C-O 3.43Å; P199-L265 WeakPolarHBondContact CA-O 3.36Å; P199-L265 HydrophobicContact CB-CB 4.29Å; P199-L265 HydrophobicContact CB-CD2 4.35Å; P199-L325 HydrophobicContact CG-CD1 4.08Å; P199-I327 HydrophobicContact CG-CD1 3.72Å; P199-I327 HydrophobicContact CG-CG2 4.03Å; P199-W330 PolarHBondContact O-NE1 2.92Å |
| 200 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128.9 | -179.8 | -172.5 | 65.5 | -161 | 0 | 0 | 110.6 | P226 T228 L245 A259 V260 C263 L265 L266 I267 | M200-P226 HydrophobicContact CE-CB 4.48Å; M200-P226 HydrophobicContact SD-CB 3.69Å; M200-T228 VanDerWaalsContact CE-CB 3.46Å; M200-T228 HydrophobicContact CE-CG2 3.47Å; M200-T228 VanDerWaalsContact CE-CG2 3.47Å; M200-L245 HydrophobicContact CE-CD1 3.9Å; M200-L245 HydrophobicContact SD-CD1 4.36Å; M200-A259 HydrophobicContact SD-CB 4.29Å; M200-V260 HydrophobicContact CG-CG2 3.95Å; M200-C263 HydrophobicContact CB-CB 3.67Å; M200-L265 PolarHBondContact N-O 3.4Å; M200-L266 HydrophobicContact CB-CD1 4.16Å; M200-L266 HydrophobicContact CG-CD1 4.24Å; M200-I267 PolarHBondContact O-N 3.5Å |
| 201 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.8 | 175.1 | -160.8 | 65.8 | 0 | 0 | 0 | 110.5 | V203 L216 F219 L220 M225 P226 A227 T228 I267 V269 | L201-V203 HydrophobicContact CD2-CG2 3.91Å; L201-V203 HydrophobicContact CG-CG2 3.89Å; L201-L216 HydrophobicContact CD2-CD1 3.57Å; L201-F219 HydrophobicContact CD1-CE1 3.84Å; L201-F219 HydrophobicContact CD2-CD1 4.04Å; L201-F219 HydrophobicContact CD2-CE1 3.98Å; L201-L220 HydrophobicContact CD2-CD1 4.44Å; L201-L220 HydrophobicContact CD2-CD2 3.54Å; L201-L220 HydrophobicContact CD2-CG 4Å; L201-M225 HydrophobicContact CB-CE 4.18Å; L201-P226 PolarHBondContact N-O 3.43Å; L201-A227 HydrophobicContact CB-CB 4.16Å; L201-A227 WeakPolarHBondContact O-CA 3.37Å; L201-T228 PolarHBondContact O-N 3.12Å; L201-I267 HydrophobicContact CD1-CB 3.79Å; L201-I267 HydrophobicContact CD1-CG2 3.81Å; L201-V269 HydrophobicContact CD1-CG2 3.59Å; L201-V269 HydrophobicContact CG-CG2 4.35Å |
| 202 | Y | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 100.6 | 177.4 | 169 | -142 | 0 | 0 | 0 | 110.1 | T228 T230 L248 I267 A268 V269 A271 F273 V277 | Y202-T228 HydrophobicContact CD2-CG2 4.36Å; Y202-T230 HydrophobicContact CD2-CG2 4.46Å; Y202-T230 HydrophobicContact CE2-CG2 3.35Å; Y202-T230 WeakPolarHBondContact OH-CG2 3.11Å; Y202-L248 HydrophobicContact CD2-CD1 4.01Å; Y202-L248 HydrophobicContact CD2-CD2 3.98Å; Y202-L248 HydrophobicContact CE2-CD1 4.1Å; Y202-L248 HydrophobicContact CE2-CD2 3.64Å; Y202-I267 PolarHBondContact N-O 2.83Å; Y202-A268 HydrophobicContact CD1-CB 3.8Å; Y202-A268 HydrophobicContact CE1-CB 4.41Å; Y202-A268 WeakPolarHBondContact O-CA 3.46Å; Y202-V269 PolarHBondContact O-N 3.2Å; Y202-A271 HydrophobicContact CD1-CB 4.12Å; Y202-A271 HydrophobicContact CE1-CB 3.59Å; Y202-A271 HydrophobicContact CE2-CB 4.16Å; Y202-F273 HydrophobicContact CD1-CE1 4.33Å; Y202-F273 HydrophobicContact CE1-CD1 4.19Å; Y202-F273 HydrophobicContact CE1-CE1 4.21Å; Y202-V277 HydrophobicContact CE2-CG1 4.02Å; Y202-V277 WeakPolarHBondContact OH-CG1 3.41Å |
| 203 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.1 | -170.5 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | L201 V207 L216 T228 C229 T230 A236 V237 | L201-V203 HydrophobicContact CD2-CG2 3.91Å; L201-V203 HydrophobicContact CG-CG2 3.89Å; V203-V207 HydrophobicContact CG1-CB 4.28Å; V203-V207 HydrophobicContact CG1-CG2 3.77Å; V203-L216 HydrophobicContact CG1-CD2 3.82Å; V203-L216 HydrophobicContact CG2-CD1 4.11Å; V203-L216 HydrophobicContact CG2-CD2 4.11Å; V203-T228 PolarHBondContact N-O 3.25Å; V203-C229 CarbonylContact O-C 3.59Å; V203-C229 VanDerWaalsContact O-CA 3.32Å; V203-C229 WeakPolarHBondContact O-CA 3.35Å; V203-T230 PolarHBondContact O-N 2.8Å; V203-A236 HydrophobicContact CG1-CB 3.9Å; V203-V237 HydrophobicContact CG2-CG2 4.29Å |
| 204 | G | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | trans | -102.4 | -175.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G206 V269 G270 | G204-G206 PolarHBondContact O-N 3.41Å; G204-V269 PolarHBondContact N-O 3.08Å; G204-G270 CarbonylContact C-O 3.54Å; G204-G270 VanDerWaalsContact C-O 3.31Å; G204-G270 VanDerWaalsContact CA-O 3.22Å; G204-G270 WeakPolarHBondContact CA-O 3.47Å | ||
| 205 | G | 97.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | V207 G208 M209 G270 | G205-V207 PolarHBondContact O-N 2.98Å; G205-G208 PolarHBondContact O-N 3.09Å; G205-M209 WeakPolarHBondContact O-CG 3.31Å; G205-M209 PolarHBondContact O-N 2.98Å; G205-G270 PolarHBondContact N-O 3.22Å |
| 206 | G | 97.9 | Very high | 98 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 19% | 0.186 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.9 | -26.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G204 M209 A210 G270 | G204-G206 PolarHBondContact O-N 3.41Å; G206-M209 PolarHBondContact O-N 3.17Å; G206-A210 VanDerWaalsContact O-CB 3.26Å; G206-A210 WeakPolarHBondContact O-CB 3.27Å; G206-A210 PolarHBondContact O-N 3.39Å; G206-G270 PolarHBondContact N-O 3.35Å |
| 207 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | V203 G205 Q211 A212 V213 L216 A236 V269 L314 | V203-V207 HydrophobicContact CG1-CB 4.28Å; V203-V207 HydrophobicContact CG1-CG2 3.77Å; G205-V207 PolarHBondContact O-N 2.98Å; V207-Q211 PolarHBondContact O-N 3.32Å; V207-A212 HydrophobicContact CG1-CB 4.29Å; V207-A212 PolarHBondContact O-N 3.23Å; V207-V213 HydrophobicContact CG1-CG2 4.02Å; V207-L216 HydrophobicContact CG1-CB 4.11Å; V207-L216 HydrophobicContact CG1-CD2 3.85Å; V207-L216 HydrophobicContact CG2-CD2 4.39Å; V207-A236 HydrophobicContact CG1-CB 4.22Å; V207-V269 HydrophobicContact CG2-CB 4.44Å; V207-V269 HydrophobicContact CG2-CG1 3.69Å; V207-L314 HydrophobicContact CG2-CD1 4.01Å |
| 208 | G | 96.7 | Very high | 98 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G205 A210 Q211 | G205-G208 PolarHBondContact O-N 3.09Å; G208-A210 VanDerWaalsContact C-N 3.34Å; G208-A210 PolarHBondContact O-N 2.93Å; G208-Q211 PolarHBondContact O-N 3.35Å; G208-Q211 PolarHBondContact O-NE2 2.93Å |
| 209 | M | 95.7 | Very high | 98 | Very high | 66 Ų | 66 | 24 Ų | 24 | 33% | 0.325 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 179.6 | -63.3 | 163 | -174.9 | 0 | 0 | 112.3 | D88 G205 G206 Q211 | D88-M209 WeakPolarHBondContact O-CE 3.41Å; G205-M209 WeakPolarHBondContact O-CG 3.31Å; G205-M209 PolarHBondContact O-N 2.98Å; G206-M209 PolarHBondContact O-N 3.17Å; M209-Q211 PolarHBondContact O-N 2.85Å |
| 210 | A | 95.6 | Very high | 98 | Very high | 35 Ų | 35 | 24.1 Ų | 24.1 | 29% | 0.289 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 3.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G206 G208 A212 L314 N315 | G206-A210 VanDerWaalsContact O-CB 3.26Å; G206-A210 WeakPolarHBondContact O-CB 3.27Å; G206-A210 PolarHBondContact O-N 3.39Å; G208-A210 VanDerWaalsContact C-N 3.34Å; G208-A210 PolarHBondContact O-N 2.93Å; A210-A212 HydrophobicContact CB-CB 4.18Å; A210-A212 PolarHBondContact O-N 3.02Å; A210-A212 VanDerWaalsContact O-N 3.1Å; A210-L314 HydrophobicContact CB-CB 4.43Å; A210-L314 HydrophobicContact CB-CD1 4.29Å; A210-N315 PolarHBondContact O-ND2 3.46Å |
| 211 | Q | 96.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 27.4 Ų | 27.4 | 54% | 0.542 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 27.1 | -173.5 | -60.4 | -65.3 | -49.5 | 0 | 0 | 113.3 | V207 G208 M209 V213 | V207-Q211 PolarHBondContact O-N 3.32Å; G208-Q211 PolarHBondContact O-N 3.35Å; G208-Q211 PolarHBondContact O-NE2 2.93Å; M209-Q211 PolarHBondContact O-N 2.85Å; Q211-V213 VanDerWaalsContact C-N 3.33Å; Q211-V213 PolarHBondContact O-N 2.9Å |
| 212 | A | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -91.9 | 13.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V207 A210 A215 L216 L314 N315 L318 | V207-A212 HydrophobicContact CG1-CB 4.29Å; V207-A212 PolarHBondContact O-N 3.23Å; A210-A212 HydrophobicContact CB-CB 4.18Å; A210-A212 PolarHBondContact O-N 3.02Å; A210-A212 VanDerWaalsContact O-N 3.1Å; A212-A215 PolarHBondContact O-N 2.75Å; A212-L216 WeakPolarHBondContact O-CB 3.17Å; A212-L216 PolarHBondContact O-N 3.27Å; A212-L314 HydrophobicContact CB-CB 3.71Å; A212-N315 WeakPolarHBondContact CA-OD1 3.3Å; A212-L318 HydrophobicContact CB-CD1 4.42Å | ||
| 213 | V | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | V207 Q211 L216 R217 P391 | V207-V213 HydrophobicContact CG1-CG2 4.02Å; Q211-V213 VanDerWaalsContact C-N 3.33Å; Q211-V213 PolarHBondContact O-N 2.9Å; V213-L216 PolarHBondContact O-N 3.16Å; V213-R217 WeakPolarHBondContact O-CG 3.32Å; V213-R217 PolarHBondContact O-N 2.77Å; V213-P391 HydrophobicContact CG2-CG 3.88Å |
| 214 | P | 98.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 34.6 Ų | 34.6 | 45% | 0.448 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 174.8 | -23.3 | 35.4 | 0 | 0 | 0 | 112.7 | L216 R217 E218 | P214-L216 VanDerWaalsContact C-N 3.3Å; P214-L216 PolarHBondContact O-N 3.49Å; P214-R217 PolarHBondContact O-N 2.83Å; P214-R217 VanDerWaalsContact O-N 3.1Å; P214-E218 WeakPolarHBondContact O-CG 3.35Å; P214-E218 PolarHBondContact O-N 3.14Å |
| 215 | A | 98.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -38.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | A212 F219 L318 P319 | A212-A215 PolarHBondContact O-N 2.75Å; A215-F219 WeakPolarHBondContact O-CB 3.46Å; A215-F219 PolarHBondContact O-N 2.78Å; A215-L318 HydrophobicContact CB-CB 4.33Å; A215-L318 HydrophobicContact CB-CD1 4.31Å; A215-P319 HydrophobicContact CB-CG 4.45Å |
| 216 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 173.7 | 177.7 | 69.7 | 0 | 0 | 0 | 111.6 | L201 V203 V207 A212 V213 P214 F219 L220 A236 V237 L318 | L201-L216 HydrophobicContact CD2-CD1 3.57Å; V203-L216 HydrophobicContact CG1-CD2 3.82Å; V203-L216 HydrophobicContact CG2-CD1 4.11Å; V203-L216 HydrophobicContact CG2-CD2 4.11Å; V207-L216 HydrophobicContact CG1-CB 4.11Å; V207-L216 HydrophobicContact CG1-CD2 3.85Å; V207-L216 HydrophobicContact CG2-CD2 4.39Å; A212-L216 WeakPolarHBondContact O-CB 3.17Å; A212-L216 PolarHBondContact O-N 3.27Å; V213-L216 PolarHBondContact O-N 3.16Å; P214-L216 VanDerWaalsContact C-N 3.3Å; P214-L216 PolarHBondContact O-N 3.49Å; L216-F219 WeakPolarHBondContact O-CB 3.43Å; L216-F219 PolarHBondContact O-N 2.94Å; L216-L220 HydrophobicContact CG-CD1 4.23Å; L216-L220 WeakPolarHBondContact O-CG 3.17Å; L216-L220 PolarHBondContact O-N 2.76Å; L216-A236 HydrophobicContact CD2-CB 3.77Å; L216-V237 HydrophobicContact CD2-CG2 4.33Å; L216-L318 HydrophobicContact CB-CD1 4.11Å; L216-L318 HydrophobicContact CD1-CD1 4.47Å; L216-L318 HydrophobicContact CD1-CD2 4.4Å |
| 217 | R | 98.4 | Very high | 97.9 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 18% | 0.177 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | -178.7 | -71.6 | 176.5 | -174.8 | 179.1 | 1.3 | 111.5 | V213 P214 L220 A221 G235 A236 E238 T389 | V213-R217 WeakPolarHBondContact O-CG 3.32Å; V213-R217 PolarHBondContact O-N 2.77Å; P214-R217 PolarHBondContact O-N 2.83Å; P214-R217 VanDerWaalsContact O-N 3.1Å; R217-L220 PolarHBondContact O-N 2.82Å; R217-A221 WeakPolarHBondContact O-CB 3.37Å; R217-A221 PolarHBondContact O-N 2.95Å; R217-G235 PolarHBondContact NH2-O 2.86Å; R217-A236 PolarHBondContact NE-O 2.93Å; R217-A236 VanDerWaalsContact NE-O 3.09Å; R217-E238 HydrophobicContact CG-CG 4.46Å; R217-E238 IonicContact CZ-OE1 3.61Å; R217-E238 IonicContact CZ-OE2 2.77Å; R217-E238 IonicContact NE-OE1 2.63Å; R217-E238 PolarHBondContact NE-OE1 3.37Å; R217-E238 VanDerWaalsContact NH1-CD 3.26Å; R217-E238 IonicContact NH1-OE1 2.66Å; R217-E238 PolarHBondContact NH1-OE1 3.22Å; R217-E238 IonicContact NH1-OE2 2.69Å; R217-E238 IonicContact NH2-OE1 3.03Å; R217-E238 IonicContact NH2-OE2 3.1Å; R217-T389 PolarHBondContact NH2-O 2.95Å |
| 218 | E | 98.4 | Very high | 97.9 | Very high | 114 Ų | 114 | 33.2 Ų | 33.2 | 53% | 0.533 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 171.5 | -70.3 | 176.7 | -176.9 | 0 | 0 | 111.8 | P214 L220 A221 A222 | P214-E218 WeakPolarHBondContact O-CG 3.35Å; P214-E218 PolarHBondContact O-N 3.14Å; E218-L220 PolarHBondContact O-N 3.15Å; E218-A221 PolarHBondContact O-N 3.33Å; E218-A222 PolarHBondContact O-N 3.18Å |
| 219 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 174.5 | 174.6 | -89.6 | 0 | 0 | 0 | 112.4 | L193 L201 A215 L216 A222 T223 M225 L318 L321 Q322 | L193-F219 HydrophobicContact CD2-CE2 4.37Å; L193-F219 HydrophobicContact CD2-CZ 4.3Å; L201-F219 HydrophobicContact CD1-CE1 3.84Å; L201-F219 HydrophobicContact CD2-CD1 4.04Å; L201-F219 HydrophobicContact CD2-CE1 3.98Å; A215-F219 WeakPolarHBondContact O-CB 3.46Å; A215-F219 PolarHBondContact O-N 2.78Å; L216-F219 WeakPolarHBondContact O-CB 3.43Å; L216-F219 PolarHBondContact O-N 2.94Å; F219-A222 PolarHBondContact O-N 3.17Å; F219-T223 HydrophobicContact CD1-CG2 4.4Å; F219-T223 HydrophobicContact CD2-CG2 4.04Å; F219-T223 HydrophobicContact CE1-CG2 4.06Å; F219-T223 HydrophobicContact CE2-CG2 3.68Å; F219-T223 HydrophobicContact CG-CG2 4.39Å; F219-T223 HydrophobicContact CZ-CG2 3.69Å; F219-T223 WeakPolarHBondContact O-CB 3.5Å; F219-T223 WeakPolarHBondContact O-CG2 3.43Å; F219-T223 PolarHBondContact O-N 3.35Å; F219-T223 PolarHBondContact O-OG1 2.91Å; F219-M225 HydrophobicContact CE1-SD 4.12Å; F219-M225 HydrophobicContact CZ-SD 4.08Å; F219-L318 HydrophobicContact CB-CB 4.42Å; F219-L318 HydrophobicContact CB-CD2 4.34Å; F219-L318 HydrophobicContact CD1-CD2 4.34Å; F219-L318 HydrophobicContact CD2-CD2 4.41Å; F219-L318 WeakPolarHBondContact CD2-O 3.27Å; F219-L318 HydrophobicContact CG-CD2 4.1Å; F219-L321 HydrophobicContact CD2-CB 4.42Å; F219-L321 HydrophobicContact CE2-CB 3.82Å; F219-Q322 HydrophobicContact CB-CG 4.24Å; F219-Q322 HydrophobicContact CD2-CG 4.02Å |
| 220 | L | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 175.7 | -74.5 | 171.6 | 0 | 0 | 0 | 112.4 | L201 L216 R217 E218 A222 K224 A227 V237 Y241 | L201-L220 HydrophobicContact CD2-CD1 4.44Å; L201-L220 HydrophobicContact CD2-CD2 3.54Å; L201-L220 HydrophobicContact CD2-CG 4Å; L216-L220 HydrophobicContact CG-CD1 4.23Å; L216-L220 WeakPolarHBondContact O-CG 3.17Å; L216-L220 PolarHBondContact O-N 2.76Å; R217-L220 PolarHBondContact O-N 2.82Å; E218-L220 PolarHBondContact O-N 3.15Å; L220-A222 VanDerWaalsContact C-N 3.34Å; L220-A222 PolarHBondContact O-N 3.22Å; L220-K224 WeakPolarHBondContact O-CA 3.4Å; L220-K224 PolarHBondContact O-N 3.46Å; L220-A227 HydrophobicContact CD1-CB 4.4Å; L220-A227 HydrophobicContact CD2-CB 3.9Å; L220-V237 HydrophobicContact CD1-CB 4.48Å; L220-V237 HydrophobicContact CD1-CG1 3.98Å; L220-V237 HydrophobicContact CD1-CG2 3.96Å; L220-Y241 HydrophobicContact CB-CE2 4.14Å; L220-Y241 HydrophobicContact CD1-CE1 4.46Å; L220-Y241 HydrophobicContact CD2-CE1 3.96Å; L220-Y241 PolarHBondContact O-OH 2.66Å |
| 221 | A | 97.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 29.9 Ų | 29.9 | 56% | 0.562 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -63.7 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R217 E218 | R217-A221 WeakPolarHBondContact O-CB 3.37Å; R217-A221 PolarHBondContact O-N 2.95Å; E218-A221 PolarHBondContact O-N 3.33Å |
| 222 | A | 97.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 33% | 0.331 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -75.1 | -44.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E218 F219 L220 Q322 | E218-A222 PolarHBondContact O-N 3.18Å; F219-A222 PolarHBondContact O-N 3.17Å; L220-A222 VanDerWaalsContact C-N 3.34Å; L220-A222 PolarHBondContact O-N 3.22Å; A222-Q322 HydrophobicContact CB-CB 4.29Å; A222-Q322 HydrophobicContact CB-CG 4.45Å |
| 223 | T | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -88 | -26.9 | -174 | 61 | 0 | 0 | 0 | 0 | 113.3 | F219 M225 Q323 L325 | F219-T223 HydrophobicContact CD1-CG2 4.4Å; F219-T223 HydrophobicContact CD2-CG2 4.04Å; F219-T223 HydrophobicContact CE1-CG2 4.06Å; F219-T223 HydrophobicContact CE2-CG2 3.68Å; F219-T223 HydrophobicContact CG-CG2 4.39Å; F219-T223 HydrophobicContact CZ-CG2 3.69Å; F219-T223 WeakPolarHBondContact O-CB 3.5Å; F219-T223 WeakPolarHBondContact O-CG2 3.43Å; F219-T223 PolarHBondContact O-N 3.35Å; F219-T223 PolarHBondContact O-OG1 2.91Å; T223-M225 HydrophobicContact CG2-SD 4.48Å; T223-M225 PolarHBondContact O-N 2.82Å; T223-Q323 WeakPolarHBondContact CA-O 3.46Å; T223-Q323 WeakPolarHBondContact CG2-O 3.43Å; T223-L325 HydrophobicContact CG2-CD1 4.45Å |
| 224 | K | 97.8 | Very high | 98.3 | Very high | 112 Ų | 112 | 26 Ų | 26 | 49% | 0.487 | 15% | 0.145 | S | C | . | . | trans | 50.9 | 33.8 | -172.4 | -64.2 | -175.6 | 179.5 | -177.1 | 0 | 113 | L220 Y241 Y243 Q331 | L220-K224 WeakPolarHBondContact O-CA 3.4Å; L220-K224 PolarHBondContact O-N 3.46Å; K224-Y241 VanDerWaalsContact CA-OH 3.27Å; K224-Y241 WeakPolarHBondContact CA-OH 3.41Å; K224-Y243 HydrophobicContact CB-CD2 4.31Å; K224-Y243 HydrophobicContact CB-CE2 3.86Å; K224-Y243 HydrophobicContact CG-CE2 4.42Å; K224-Y243 WeakPolarHBondContact O-CD2 3.41Å; K224-Q331 PolarHBondContact O-NE2 3.26Å | ||
| 225 | M | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -72.5 | 143.4 | 179 | -76.7 | 176.9 | 54.7 | 0 | 0 | 112.2 | L193 P199 L201 F219 T223 Y241 I267 L325 I327 | L193-M225 HydrophobicContact CD1-SD 3.7Å; P199-M225 HydrophobicContact CB-CE 3.61Å; P199-M225 HydrophobicContact CB-CG 4.4Å; P199-M225 HydrophobicContact CB-SD 4.14Å; P199-M225 HydrophobicContact CG-CE 4.28Å; P199-M225 HydrophobicContact CG-CG 4.06Å; P199-M225 HydrophobicContact CG-SD 4.38Å; L201-M225 HydrophobicContact CB-CE 4.18Å; F219-M225 HydrophobicContact CE1-SD 4.12Å; F219-M225 HydrophobicContact CZ-SD 4.08Å; T223-M225 HydrophobicContact CG2-SD 4.48Å; T223-M225 PolarHBondContact O-N 2.82Å; M225-Y241 PolarHBondContact N-OH 2.63Å; M225-Y241 VanDerWaalsContact O-CE1 3.28Å; M225-Y241 WeakPolarHBondContact O-CE1 3.16Å; M225-Y241 PolarHBondContact O-OH 3.27Å; M225-I267 HydrophobicContact CE-CD1 3.75Å; M225-I267 HydrophobicContact CE-CG1 4.25Å; M225-I267 HydrophobicContact SD-CD1 4.14Å; M225-L325 HydrophobicContact CG-CD1 3.44Å; M225-L325 VanDerWaalsContact CG-CD1 3.44Å; M225-L325 HydrophobicContact SD-CD1 3.74Å; M225-I327 HydrophobicContact CG-CD1 4.14Å | ||
| 226 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -54.9 | 139.8 | 162 | -26.2 | 37.5 | 0 | 0 | 0 | 112 | M200 L201 Y243 C334 | M200-P226 HydrophobicContact CE-CB 4.48Å; M200-P226 HydrophobicContact SD-CB 3.69Å; L201-P226 PolarHBondContact N-O 3.43Å; P226-Y243 WeakPolarHBondContact CA-O 3.49Å; P226-C334 HydrophobicContact CB-CB 4.06Å; P226-C334 HydrophobicContact CG-CB 3.92Å; P226-C334 VanDerWaalsContact CG-SG 3.58Å | ||
| 227 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | L201 L220 V237 Y241 Y243 Y244 L245 | L201-A227 HydrophobicContact CB-CB 4.16Å; L201-A227 WeakPolarHBondContact O-CA 3.37Å; L220-A227 HydrophobicContact CD1-CB 4.4Å; L220-A227 HydrophobicContact CD2-CB 3.9Å; A227-V237 HydrophobicContact CB-CG1 4.46Å; A227-V237 HydrophobicContact CB-CG2 4.16Å; A227-Y241 HydrophobicContact CB-CE1 4.23Å; A227-Y243 PolarHBondContact N-O 2.95Å; A227-Y244 WeakPolarHBondContact O-CD2 3.39Å; A227-L245 PolarHBondContact O-N 2.95Å |
| 228 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.3 | 174.7 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | M200 L201 Y202 V203 G246 L248 A256 V260 | M200-T228 VanDerWaalsContact CE-CB 3.46Å; M200-T228 HydrophobicContact CE-CG2 3.47Å; M200-T228 VanDerWaalsContact CE-CG2 3.47Å; L201-T228 PolarHBondContact O-N 3.12Å; Y202-T228 HydrophobicContact CD2-CG2 4.36Å; V203-T228 PolarHBondContact N-O 3.25Å; T228-G246 WeakPolarHBondContact CA-O 3.37Å; T228-G246 PolarHBondContact OG1-O 2.88Å; T228-L248 HydrophobicContact CG2-CB 4.3Å; T228-L248 HydrophobicContact CG2-CD1 3.9Å; T228-L248 HydrophobicContact CG2-CD2 4.39Å; T228-L248 HydrophobicContact CG2-CG 4.4Å; T228-L248 WeakPolarHBondContact OG1-CB 3.33Å; T228-L248 PolarHBondContact OG1-N 3.45Å; T228-A256 WeakPolarHBondContact OG1-CB 3.26Å; T228-V260 HydrophobicContact CG2-CG2 4.02Å |
| 229 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.5 | -178.8 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | V203 G233 L234 Y244 G246 M247 L248 | V203-C229 CarbonylContact O-C 3.59Å; V203-C229 VanDerWaalsContact O-CA 3.32Å; V203-C229 WeakPolarHBondContact O-CA 3.35Å; C229-G233 PolarHBondContact SG-O 3.21Å; C229-G233 VanDerWaalsContact SG-O 3.39Å; C229-L234 HydrophobicContact CB-CD2 4.23Å; C229-Y244 HydrophobicContact CB-CE2 4.41Å; C229-G246 PolarHBondContact N-O 3.29Å; C229-M247 VanDerWaalsContact O-CA 3.29Å; C229-M247 WeakPolarHBondContact O-CA 3.4Å; C229-L248 WeakPolarHBondContact O-CD2 3.47Å; C229-L248 PolarHBondContact O-N 2.7Å |
| 230 | T | 98.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 28 Ų | 28 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | trans | -69.2 | 170.2 | 155.7 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | Y202 V203 K232 G233 L234 V277 | Y202-T230 HydrophobicContact CD2-CG2 4.46Å; Y202-T230 HydrophobicContact CE2-CG2 3.35Å; Y202-T230 WeakPolarHBondContact OH-CG2 3.11Å; V203-T230 PolarHBondContact O-N 2.8Å; T230-K232 PolarHBondContact O-N 3.19Å; T230-K232 VanDerWaalsContact O-N 3.17Å; T230-K232 PolarHBondContact OG1-N 3.13Å; T230-G233 PolarHBondContact O-N 2.92Å; T230-G233 PolarHBondContact OG1-N 3.23Å; T230-G233 VanDerWaalsContact OG1-N 3.13Å; T230-L234 PolarHBondContact O-N 2.86Å; T230-V277 HydrophobicContact CG2-CG2 4.16Å | ||
| 231 | L | 98.3 | Very high | 97.5 | Very high | 26 Ų | 26 | 29.2 Ų | 29.2 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -49.4 | -38.5 | 168.8 | -176.1 | 64.4 | 0 | 0 | 0 | 113 | L234 M247 M380 A383 F394 T396 | L231-L234 HydrophobicContact CD1-CD1 4.21Å; L231-L234 WeakPolarHBondContact O-CG 3.44Å; L231-M247 HydrophobicContact CB-SD 3.96Å; L231-M247 HydrophobicContact CD1-SD 3.72Å; L231-M247 HydrophobicContact CG-SD 4.47Å; L231-M380 HydrophobicContact CD1-CE 4.26Å; L231-M380 HydrophobicContact CD2-CE 4Å; L231-A383 HydrophobicContact CD1-CB 3.34Å; L231-F394 HydrophobicContact CD1-CE1 3.59Å; L231-F394 HydrophobicContact CD1-CZ 4.08Å; L231-F394 HydrophobicContact CG-CE1 4.11Å; L231-T396 HydrophobicContact CD2-CG2 4.04Å; L231-T396 HydrophobicContact CG-CG2 4.05Å |
| 232 | K | 97 | Very high | 97.4 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 13% | 0.13 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -83.7 | -16.9 | 179.9 | -58 | -176.5 | 74.3 | 168.4 | 0 | 114.1 | D88 T230 L234 S398 | D88-K232 VanDerWaalsContact CB-NZ 3.28Å; D88-K232 VanDerWaalsContact CG-NZ 3.35Å; D88-K232 PolarHBondContact O-NZ 2.9Å; D88-K232 WeakPolarHBondContact OD1-CD 3.39Å; D88-K232 WeakPolarHBondContact OD1-CE 3.19Å; D88-K232 IonicContact OD1-NZ 2.9Å; D88-K232 PolarHBondContact OD1-NZ 3.14Å; T230-K232 PolarHBondContact O-N 3.19Å; T230-K232 VanDerWaalsContact O-N 3.17Å; T230-K232 PolarHBondContact OG1-N 3.13Å; K232-L234 VanDerWaalsContact C-N 3.35Å; K232-S398 VanDerWaalsContact CD-OG 3.23Å; K232-S398 WeakPolarHBondContact CD-OG 3.33Å; K232-S398 VanDerWaalsContact CG-OG 3.22Å; K232-S398 WeakPolarHBondContact CG-OG 3.38Å |
| 233 | G | 97.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -86.9 | -5.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C229 T230 G235 A236 | C229-G233 PolarHBondContact SG-O 3.21Å; C229-G233 VanDerWaalsContact SG-O 3.39Å; T230-G233 PolarHBondContact O-N 2.92Å; T230-G233 PolarHBondContact OG1-N 3.23Å; T230-G233 VanDerWaalsContact OG1-N 3.13Å; G233-G235 PolarHBondContact O-N 3.31Å; G233-A236 WeakPolarHBondContact O-CB 3.32Å; G233-A236 PolarHBondContact O-N 3.07Å |
| 234 | L | 98.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 132.5 | 180 | -68.5 | -179.7 | 0 | 0 | 0 | 111.1 | C229 T230 L231 K232 A236 M247 A383 P391 F394 | C229-L234 HydrophobicContact CB-CD2 4.23Å; T230-L234 PolarHBondContact O-N 2.86Å; L231-L234 HydrophobicContact CD1-CD1 4.21Å; L231-L234 WeakPolarHBondContact O-CG 3.44Å; K232-L234 VanDerWaalsContact C-N 3.35Å; L234-A236 VanDerWaalsContact C-N 3.35Å; L234-M247 HydrophobicContact CD1-SD 4.37Å; L234-M247 HydrophobicContact CD2-CB 4.15Å; L234-A383 HydrophobicContact CD1-CB 3.8Å; L234-P391 VanDerWaalsContact O-CA 3.26Å; L234-P391 WeakPolarHBondContact O-CA 3.5Å; L234-F394 HydrophobicContact CB-CD1 4.33Å; L234-F394 HydrophobicContact CD1-CD1 4.03Å; L234-F394 HydrophobicContact CD1-CE1 3.92Å |
| 235 | G | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -7.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R217 G233 H388 T389 R390 | R217-G235 PolarHBondContact NH2-O 2.86Å; G233-G235 PolarHBondContact O-N 3.31Å; G235-H388 VanDerWaalsContact CA-O 3.28Å; G235-H388 WeakPolarHBondContact CA-O 3.38Å; G235-T389 CarbonylContact O-C 3.57Å; G235-R390 WeakPolarHBondContact O-CA 3.45Å |
| 236 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -68.3 | -45.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V203 V207 L216 R217 G233 L234 P391 | V203-A236 HydrophobicContact CG1-CB 3.9Å; V207-A236 HydrophobicContact CG1-CB 4.22Å; L216-A236 HydrophobicContact CD2-CB 3.77Å; R217-A236 PolarHBondContact NE-O 2.93Å; R217-A236 VanDerWaalsContact NE-O 3.09Å; G233-A236 WeakPolarHBondContact O-CB 3.32Å; G233-A236 PolarHBondContact O-N 3.07Å; L234-A236 VanDerWaalsContact C-N 3.35Å; A236-P391 HydrophobicContact CB-CG 3.96Å |
| 237 | V | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -86.1 | 137.5 | 173.2 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | V203 L216 L220 A227 Y241 Y244 | V203-V237 HydrophobicContact CG2-CG2 4.29Å; L216-V237 HydrophobicContact CD2-CG2 4.33Å; L220-V237 HydrophobicContact CD1-CB 4.48Å; L220-V237 HydrophobicContact CD1-CG1 3.98Å; L220-V237 HydrophobicContact CD1-CG2 3.96Å; A227-V237 HydrophobicContact CB-CG1 4.46Å; A227-V237 HydrophobicContact CB-CG2 4.16Å; V237-Y241 HydrophobicContact CG1-CD1 3.83Å; V237-Y241 HydrophobicContact CG1-CG 4.18Å; V237-Y244 HydrophobicContact CB-CD2 3.81Å; V237-Y244 HydrophobicContact CB-CE2 3.91Å; V237-Y244 HydrophobicContact CB-CG 4.26Å; V237-Y244 HydrophobicContact CG1-CD1 4.45Å; V237-Y244 HydrophobicContact CG1-CD2 3.61Å; V237-Y244 HydrophobicContact CG1-CE2 4.24Å; V237-Y244 HydrophobicContact CG1-CG 3.75Å; V237-Y244 HydrophobicContact CG2-CD2 4.24Å; V237-Y244 HydrophobicContact CG2-CE2 4.23Å |
| 238 | E | 96.2 | Very high | 97.3 | Very high | 72 Ų | 72 | 27.7 Ų | 27.7 | 34% | 0.336 | 16% | 0.155 | S | C | . | . | trans | -63.1 | 139.7 | 175.5 | -63.9 | -74.5 | -169.1 | 0 | 0 | 110.8 | R217 D240 Y241 | R217-E238 HydrophobicContact CG-CG 4.46Å; R217-E238 IonicContact CZ-OE1 3.61Å; R217-E238 IonicContact CZ-OE2 2.77Å; R217-E238 IonicContact NE-OE1 2.63Å; R217-E238 PolarHBondContact NE-OE1 3.37Å; R217-E238 VanDerWaalsContact NH1-CD 3.26Å; R217-E238 IonicContact NH1-OE1 2.66Å; R217-E238 PolarHBondContact NH1-OE1 3.22Å; R217-E238 IonicContact NH1-OE2 2.69Å; R217-E238 IonicContact NH2-OE1 3.03Å; R217-E238 IonicContact NH2-OE2 3.1Å; E238-D240 WeakPolarHBondContact CB-OD1 3.31Å; E238-D240 PolarHBondContact O-N 2.99Å; E238-Y241 WeakPolarHBondContact O-CB 3.37Å; E238-Y241 PolarHBondContact O-N 2.93Å; E238-Y241 VanDerWaalsContact O-N 3.14Å | ||
| 239 | A | 92.7 | Very high | 97.2 | Very high | 67 Ų | 67 | 27.7 Ų | 27.7 | 55% | 0.554 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 240 | D | 93.2 | Very high | 97.1 | Very high | 138 Ų | 138 | 28.9 Ų | 28.9 | 74% | 0.738 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 1.8 | 178.9 | 68.1 | -14.1 | 0 | 0 | 0 | 113.6 | E238 P242 | E238-D240 WeakPolarHBondContact CB-OD1 3.31Å; E238-D240 PolarHBondContact O-N 2.99Å; D240-P242 WeakPolarHBondContact O-CD 3.46Å |
| 241 | Y | 96.7 | Very high | 97 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | trans | -61.1 | 120.3 | 175.6 | 178.1 | -115.9 | 0 | 0 | 0 | 109.6 | L220 K224 M225 A227 V237 E238 Y243 Y244 | L220-Y241 HydrophobicContact CB-CE2 4.14Å; L220-Y241 HydrophobicContact CD1-CE1 4.46Å; L220-Y241 HydrophobicContact CD2-CE1 3.96Å; L220-Y241 PolarHBondContact O-OH 2.66Å; K224-Y241 VanDerWaalsContact CA-OH 3.27Å; K224-Y241 WeakPolarHBondContact CA-OH 3.41Å; M225-Y241 PolarHBondContact N-OH 2.63Å; M225-Y241 VanDerWaalsContact O-CE1 3.28Å; M225-Y241 WeakPolarHBondContact O-CE1 3.16Å; M225-Y241 PolarHBondContact O-OH 3.27Å; A227-Y241 HydrophobicContact CB-CE1 4.23Å; V237-Y241 HydrophobicContact CG1-CD1 3.83Å; V237-Y241 HydrophobicContact CG1-CG 4.18Å; E238-Y241 WeakPolarHBondContact O-CB 3.37Å; E238-Y241 PolarHBondContact O-N 2.93Å; E238-Y241 VanDerWaalsContact O-N 3.14Å; Y241-Y243 HydrophobicContact CE1-CD2 4.26Å; Y241-Y243 HydrophobicContact CE1-CG 4.5Å; Y241-Y243 HydrophobicContact CE2-CD2 4.1Å; Y241-Y243 AromaticContact CZ-CD2 3.72Å; Y241-Y243 PolarHBondContact O-N 2.72Å; Y241-Y244 WeakPolarHBondContact O-CB 3.38Å; Y241-Y244 PolarHBondContact O-N 3.46Å | ||
| 242 | P | 95.3 | Very high | 97 | Very high | 69 Ų | 69 | 27.4 Ų | 27.4 | 45% | 0.448 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.1 | -166 | 24 | -35.5 | 0 | 0 | 0 | 114.4 | D240 R338 | D240-P242 WeakPolarHBondContact O-CD 3.46Å; P242-R338 PolarHBondContact O-NH1 3Å |
| 243 | Y | 97 | Very high | 97 | Very high | 46 Ų | 46 | 27 Ų | 27 | 18% | 0.18 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 18.1 | 177.9 | -41.8 | -64.7 | 0 | 0 | 0 | 112.3 | K224 P226 A227 Y241 Q331 | K224-Y243 HydrophobicContact CB-CD2 4.31Å; K224-Y243 HydrophobicContact CB-CE2 3.86Å; K224-Y243 HydrophobicContact CG-CE2 4.42Å; K224-Y243 WeakPolarHBondContact O-CD2 3.41Å; P226-Y243 WeakPolarHBondContact CA-O 3.49Å; A227-Y243 PolarHBondContact N-O 2.95Å; Y241-Y243 HydrophobicContact CE1-CD2 4.26Å; Y241-Y243 HydrophobicContact CE1-CG 4.5Å; Y241-Y243 HydrophobicContact CE2-CD2 4.1Å; Y241-Y243 AromaticContact CZ-CD2 3.72Å; Y241-Y243 PolarHBondContact O-N 2.72Å; Y243-Q331 HydrophobicContact CD1-CB 3.9Å; Y243-Q331 HydrophobicContact CD1-CG 4.05Å; Y243-Q331 HydrophobicContact CD2-CG 4.47Å; Y243-Q331 HydrophobicContact CE1-CB 3.52Å; Y243-Q331 HydrophobicContact CE1-CG 3.82Å; Y243-Q331 HydrophobicContact CE2-CG 4.26Å; Y243-Q331 HydrophobicContact CG-CG 4.37Å |
| 244 | Y | 98 | Very high | 96.9 | Very high | 35 Ų | 35 | 28.2 Ų | 28.2 | 14% | 0.137 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.7 | 171.7 | -174.8 | -137.8 | 0 | 0 | 0 | 110.7 | A227 C229 V237 Y241 G246 | A227-Y244 WeakPolarHBondContact O-CD2 3.39Å; C229-Y244 HydrophobicContact CB-CE2 4.41Å; V237-Y244 HydrophobicContact CB-CD2 3.81Å; V237-Y244 HydrophobicContact CB-CE2 3.91Å; V237-Y244 HydrophobicContact CB-CG 4.26Å; V237-Y244 HydrophobicContact CG1-CD1 4.45Å; V237-Y244 HydrophobicContact CG1-CD2 3.61Å; V237-Y244 HydrophobicContact CG1-CE2 4.24Å; V237-Y244 HydrophobicContact CG1-CG 3.75Å; V237-Y244 HydrophobicContact CG2-CD2 4.24Å; V237-Y244 HydrophobicContact CG2-CE2 4.23Å; Y241-Y244 WeakPolarHBondContact O-CB 3.38Å; Y241-Y244 PolarHBondContact O-N 3.46Å; Y244-G246 WeakPolarHBondContact CE2-O 3.39Å; Y244-G246 VanDerWaalsContact CZ-CA 3.41Å |
| 245 | L | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 1.4 | -178.3 | -57.9 | -177.1 | 0 | 0 | 0 | 113.3 | M200 A227 T253 A255 A256 A259 C334 R338 | M200-L245 HydrophobicContact CE-CD1 3.9Å; M200-L245 HydrophobicContact SD-CD1 4.36Å; A227-L245 PolarHBondContact O-N 2.95Å; L245-T253 WeakPolarHBondContact O-CG2 3.46Å; L245-T253 PolarHBondContact O-OG1 3.4Å; L245-A255 HydrophobicContact CD2-CB 4.31Å; L245-A256 HydrophobicContact CB-CB 3.89Å; L245-A259 HydrophobicContact CD1-CB 3.37Å; L245-C334 HydrophobicContact CD1-CB 4.27Å; L245-C334 HydrophobicContact CD2-CB 4.23Å; L245-C334 WeakPolarHBondContact CD2-O 3.41Å; L245-R338 HydrophobicContact CD2-CB 3.97Å |
| 246 | G | 97.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.8 | -150.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T228 C229 Y244 | T228-G246 WeakPolarHBondContact CA-O 3.37Å; T228-G246 PolarHBondContact OG1-O 2.88Å; C229-G246 PolarHBondContact N-O 3.29Å; Y244-G246 WeakPolarHBondContact CE2-O 3.39Å; Y244-G246 VanDerWaalsContact CZ-CA 3.41Å |
| 247 | M | 98.2 | Very high | 96.8 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 6% | 0.064 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 140.4 | 175.7 | -168 | 172.1 | 65 | 0 | 0 | 110.7 | C229 L231 L234 H251 G252 T253 A383 Q384 | C229-M247 VanDerWaalsContact O-CA 3.29Å; C229-M247 WeakPolarHBondContact O-CA 3.4Å; L231-M247 HydrophobicContact CB-SD 3.96Å; L231-M247 HydrophobicContact CD1-SD 3.72Å; L231-M247 HydrophobicContact CG-SD 4.47Å; L234-M247 HydrophobicContact CD1-SD 4.37Å; L234-M247 HydrophobicContact CD2-CB 4.15Å; M247-H251 WeakPolarHBondContact CE-O 3.42Å; M247-G252 CarbonylContact O-C 3.5Å; M247-G252 WeakPolarHBondContact O-CA 3.06Å; M247-T253 PolarHBondContact O-N 3.1Å; M247-A383 HydrophobicContact CE-CB 4.12Å; M247-A383 HydrophobicContact SD-CB 4.07Å; M247-Q384 HydrophobicContact CE-CG 4.43Å |
| 248 | L | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | trans | -102 | 170.3 | 167.3 | 87.3 | 176.9 | 0 | 0 | 0 | 112.2 | Y202 T228 C229 A256 V260 V277 F284 | Y202-L248 HydrophobicContact CD2-CD1 4.01Å; Y202-L248 HydrophobicContact CD2-CD2 3.98Å; Y202-L248 HydrophobicContact CE2-CD1 4.1Å; Y202-L248 HydrophobicContact CE2-CD2 3.64Å; T228-L248 HydrophobicContact CG2-CB 4.3Å; T228-L248 HydrophobicContact CG2-CD1 3.9Å; T228-L248 HydrophobicContact CG2-CD2 4.39Å; T228-L248 HydrophobicContact CG2-CG 4.4Å; T228-L248 WeakPolarHBondContact OG1-CB 3.33Å; T228-L248 PolarHBondContact OG1-N 3.45Å; C229-L248 WeakPolarHBondContact O-CD2 3.47Å; C229-L248 PolarHBondContact O-N 2.7Å; L248-A256 HydrophobicContact CB-CB 3.93Å; L248-V260 HydrophobicContact CD1-CG2 3.95Å; L248-V277 HydrophobicContact CD1-CG1 3.73Å; L248-V277 HydrophobicContact CD2-CG1 3.78Å; L248-V277 HydrophobicContact CD2-CG2 4.26Å; L248-V277 HydrophobicContact CG-CG1 3.7Å; L248-F284 HydrophobicContact CD1-CE2 4.36Å; L248-F284 HydrophobicContact CD1-CZ 4.18Å | ||
| 249 | G | 97.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 109.7 | -157.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H251 G252 N257 R276 V277 | G249-H251 VanDerWaalsContact C-N 3.26Å; G249-H251 PolarHBondContact O-N 3.09Å; G249-G252 PolarHBondContact O-N 2.95Å; G249-N257 PolarHBondContact N-OD1 3.17Å; G249-N257 PolarHBondContact O-ND2 3.05Å; G249-R276 CarbonylContact C-O 3.43Å; G249-R276 WeakPolarHBondContact CA-O 3.41Å; G249-V277 WeakPolarHBondContact CA-O 3.44Å |
| 250 | M | 96.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 23.2 Ų | 23.2 | 12% | 0.123 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -44 | -173 | 179 | 170.9 | -73.7 | 0 | 0 | 113 | R276 W464 L533 V534 | M250-R276 WeakPolarHBondContact CB-O 3.35Å; M250-R276 PolarHBondContact N-O 2.75Å; M250-W464 HydrophobicContact CE-CZ2 4.29Å; M250-W464 HydrophobicContact SD-CZ2 4Å; M250-L533 HydrophobicContact CG-CD1 3.66Å; M250-L533 CarbonylContact O-C 3.39Å; M250-L533 VanDerWaalsContact O-CA 3.22Å; M250-L533 WeakPolarHBondContact O-CA 3.09Å; M250-L533 HydrophobicContact SD-CD1 4.25Å; M250-V534 PolarHBondContact O-N 3.01Å |
| 251 | H | 97.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 25.1 | 175.7 | -67.6 | -58.2 | 0 | 0 | 0 | 112.2 | M247 G249 M380 Q384 V530 P532 L533 | M247-H251 WeakPolarHBondContact CE-O 3.42Å; G249-H251 VanDerWaalsContact C-N 3.26Å; G249-H251 PolarHBondContact O-N 3.09Å; H251-M380 HydrophobicContact CB-CB 4.35Å; H251-M380 HydrophobicContact CB-CG 4.21Å; H251-M380 HydrophobicContact CB-SD 3.96Å; H251-Q384 PolarHBondContact O-NE2 3.29Å; H251-V530 HydrophobicContact CB-CG1 3.98Å; H251-V530 WeakPolarHBondContact ND1-CG1 3.46Å; H251-P532 WeakPolarHBondContact CA-O 3.43Å; H251-P532 PolarHBondContact ND1-O 2.86Å; H251-L533 WeakPolarHBondContact CE1-CD1 3.44Å |
| 252 | G | 96.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -72.9 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M247 G249 P532 | M247-G252 CarbonylContact O-C 3.5Å; M247-G252 WeakPolarHBondContact O-CA 3.06Å; G249-G252 PolarHBondContact O-N 2.95Å; G252-P532 WeakPolarHBondContact O-CD 3.22Å |
| 253 | T | 97.1 | Very high | 97.6 | Very high | 21 Ų | 21 | 15.9 Ų | 15.9 | 13% | 0.129 | 8% | 0.078 | C | C | . | . | trans | -69.9 | 149.3 | 172.4 | 75.5 | 0 | 0 | 0 | 0 | 110.1 | L245 M247 A255 A256 N257 W343 | L245-T253 WeakPolarHBondContact O-CG2 3.46Å; L245-T253 PolarHBondContact O-OG1 3.4Å; M247-T253 PolarHBondContact O-N 3.1Å; T253-A255 VanDerWaalsContact C-N 3.31Å; T253-A255 PolarHBondContact O-N 2.95Å; T253-A256 PolarHBondContact O-N 3.48Å; T253-A256 WeakPolarHBondContact OG1-CB 3.24Å; T253-A256 PolarHBondContact OG1-N 3.01Å; T253-N257 PolarHBondContact O-N 3.04Å; T253-W343 HydrophobicContact CG2-CZ2 4.01Å | ||
| 254 | K | 96.1 | Very high | 97.7 | Very high | 27 Ų | 27 | 16 Ų | 16 | 12% | 0.117 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 173.9 | -70.3 | -179.2 | 57.3 | 178.8 | 0 | 111.6 | A256 N257 F258 H341 P532 M543 E545 | K254-A256 VanDerWaalsContact C-N 3.35Å; K254-A256 PolarHBondContact O-N 3.37Å; K254-N257 PolarHBondContact O-N 3.27Å; K254-F258 HydrophobicContact CB-CD2 4.28Å; K254-F258 HydrophobicContact CB-CE2 4.01Å; K254-F258 WeakPolarHBondContact O-CB 3.36Å; K254-F258 WeakPolarHBondContact O-CD2 3.39Å; K254-F258 WeakPolarHBondContact O-CG 3.37Å; K254-F258 PolarHBondContact O-N 2.9Å; K254-H341 HydrophobicContact CB-CB 4.03Å; K254-P532 HydrophobicContact CD-CG 4.33Å; K254-P532 HydrophobicContact CG-CB 4.19Å; K254-P532 HydrophobicContact CG-CG 3.71Å; K254-M543 HydrophobicContact CB-CE 3.82Å; K254-M543 HydrophobicContact CB-SD 4.25Å; K254-M543 HydrophobicContact CG-CE 3.69Å; K254-M543 HydrophobicContact CG-SD 3.75Å; K254-E545 HydrophobicContact CD-CG 4.16Å; K254-E545 WeakPolarHBondContact CD-OE1 3.12Å; K254-E545 IonicContact NZ-OE1 3.49Å; K254-E545 PolarHBondContact NZ-OE1 3.36Å; K254-E545 IonicContact NZ-OE2 3.64Å; K254-E545 PolarHBondContact NZ-OE2 3.26Å |
| 255 | A | 97.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.4 | -46.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L245 T253 A259 L337 R338 | L245-A255 HydrophobicContact CD2-CB 4.31Å; T253-A255 VanDerWaalsContact C-N 3.31Å; T253-A255 PolarHBondContact O-N 2.95Å; A255-A259 VanDerWaalsContact O-CB 3.23Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 3.25Å; A255-L337 HydrophobicContact CB-CB 4.04Å; A255-R338 HydrophobicContact CB-CB 4.41Å |
| 256 | A | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | T228 L245 L248 T253 K254 V260 | T228-A256 WeakPolarHBondContact OG1-CB 3.26Å; L245-A256 HydrophobicContact CB-CB 3.89Å; L248-A256 HydrophobicContact CB-CB 3.93Å; T253-A256 PolarHBondContact O-N 3.48Å; T253-A256 WeakPolarHBondContact OG1-CB 3.24Å; T253-A256 PolarHBondContact OG1-N 3.01Å; K254-A256 VanDerWaalsContact C-N 3.35Å; K254-A256 PolarHBondContact O-N 3.37Å; A256-V260 VanDerWaalsContact O-CG2 3.29Å; A256-V260 WeakPolarHBondContact O-CG2 3.16Å; A256-V260 PolarHBondContact O-N 3.4Å |
| 257 | N | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 179.6 | -81.3 | -20.3 | 0 | 0 | 0 | 112.1 | G249 T253 K254 V260 Q261 N540 M543 | G249-N257 PolarHBondContact N-OD1 3.17Å; G249-N257 PolarHBondContact O-ND2 3.05Å; T253-N257 PolarHBondContact O-N 3.04Å; K254-N257 PolarHBondContact O-N 3.27Å; N257-V260 PolarHBondContact O-N 2.91Å; N257-Q261 VanDerWaalsContact O-CG 3.28Å; N257-Q261 WeakPolarHBondContact O-CG 3.46Å; N257-Q261 PolarHBondContact O-N 3.15Å; N257-Q261 VanDerWaalsContact O-N 3.11Å; N257-N540 HydrophobicContact CB-CB 4.16Å; N257-N540 PolarHBondContact OD1-ND2 3.24Å; N257-M543 HydrophobicContact CB-CE 3.8Å; N257-M543 HydrophobicContact CB-SD 3.75Å; N257-M543 PolarHBondContact ND2-SD 3.3Å |
| 258 | F | 97.7 | Very high | 97.8 | Very high | 43 Ų | 43 | 13 Ų | 13 | 19% | 0.189 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 177.1 | -65.8 | -31.4 | 0 | 0 | 0 | 112.3 | K254 V260 Q261 E262 L337 H341 M543 | K254-F258 HydrophobicContact CB-CD2 4.28Å; K254-F258 HydrophobicContact CB-CE2 4.01Å; K254-F258 WeakPolarHBondContact O-CB 3.36Å; K254-F258 WeakPolarHBondContact O-CD2 3.39Å; K254-F258 WeakPolarHBondContact O-CG 3.37Å; K254-F258 PolarHBondContact O-N 2.9Å; F258-V260 VanDerWaalsContact C-N 3.28Å; F258-V260 PolarHBondContact O-N 3.21Å; F258-Q261 PolarHBondContact O-N 3.09Å; F258-E262 WeakPolarHBondContact O-CG 3.4Å; F258-E262 PolarHBondContact O-N 3.47Å; F258-L337 HydrophobicContact CB-CD1 4.28Å; F258-L337 HydrophobicContact CD2-CD2 4.42Å; F258-H341 AromaticContact CD2-NE2 3.73Å; F258-H341 AromaticContact CE2-NE2 3.48Å; F258-H341 WeakPolarHBondContact CE2-NE2 3.45Å; F258-M543 HydrophobicContact CD1-CE 3.68Å; F258-M543 HydrophobicContact CD2-CE 4.4Å; F258-M543 HydrophobicContact CE1-CE 3.23Å; F258-M543 HydrophobicContact CE2-CE 4.04Å; F258-M543 HydrophobicContact CG-CE 4.24Å; F258-M543 HydrophobicContact CZ-CE 3.44Å; F258-M543 VanDerWaalsContact CZ-CE 3.44Å |
| 259 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M200 L245 A255 E262 C263 W330 L337 | M200-A259 HydrophobicContact SD-CB 4.29Å; L245-A259 HydrophobicContact CD1-CB 3.37Å; A255-A259 VanDerWaalsContact O-CB 3.23Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 3.25Å; A259-E262 PolarHBondContact O-N 2.87Å; A259-C263 WeakPolarHBondContact O-CB 3.45Å; A259-C263 PolarHBondContact O-N 3.18Å; A259-W330 HydrophobicContact CB-CH2 4.25Å; A259-W330 HydrophobicContact CB-CZ2 4.17Å; A259-L337 HydrophobicContact CB-CD1 4.49Å |
| 260 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.8 | -37.2 | 175.1 | 169.9 | 0 | 0 | 0 | 0 | 112 | M200 T228 L248 A256 N257 F258 E262 C263 L266 F284 A285 | M200-V260 HydrophobicContact CG-CG2 3.95Å; T228-V260 HydrophobicContact CG2-CG2 4.02Å; L248-V260 HydrophobicContact CD1-CG2 3.95Å; A256-V260 VanDerWaalsContact O-CG2 3.29Å; A256-V260 WeakPolarHBondContact O-CG2 3.16Å; A256-V260 PolarHBondContact O-N 3.4Å; N257-V260 PolarHBondContact O-N 2.91Å; F258-V260 VanDerWaalsContact C-N 3.28Å; F258-V260 PolarHBondContact O-N 3.21Å; V260-E262 VanDerWaalsContact C-N 3.27Å; V260-E262 PolarHBondContact O-N 3.03Å; V260-C263 PolarHBondContact O-SG 3.49Å; V260-L266 HydrophobicContact CG1-CD1 4.33Å; V260-L266 HydrophobicContact CG2-CD1 4.49Å; V260-F284 HydrophobicContact CG1-CD2 4.37Å; V260-F284 HydrophobicContact CG1-CE1 4.25Å; V260-F284 HydrophobicContact CG1-CE2 3.66Å; V260-F284 HydrophobicContact CG1-CZ 3.59Å; V260-A285 HydrophobicContact CG1-CB 4.06Å; V260-A285 WeakPolarHBondContact O-CA 3.39Å |
| 261 | Q | 97.6 | Very high | 98 | Very high | 17 Ų | 17 | 12.1 Ų | 12.1 | 8% | 0.079 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.5 | -27.8 | 176.8 | -68.1 | -64 | 94.3 | 0 | 0 | 112.8 | N257 F258 T283 P286 S539 N540 | N257-Q261 VanDerWaalsContact O-CG 3.28Å; N257-Q261 WeakPolarHBondContact O-CG 3.46Å; N257-Q261 PolarHBondContact O-N 3.15Å; N257-Q261 VanDerWaalsContact O-N 3.11Å; F258-Q261 PolarHBondContact O-N 3.09Å; Q261-T283 PolarHBondContact NE2-O 3.49Å; Q261-T283 PolarHBondContact OE1-O 3.42Å; Q261-P286 WeakPolarHBondContact O-CD 3.32Å; Q261-S539 PolarHBondContact NE2-OG 2.64Å; Q261-S539 VanDerWaalsContact NE2-OG 3.16Å; Q261-N540 HydrophobicContact CG-CB 4.21Å |
| 262 | E | 98 | Very high | 98 | Very high | 67 Ų | 67 | 14.7 Ų | 14.7 | 31% | 0.313 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -94.2 | -14.2 | -176.5 | -68.7 | 171.6 | -167.2 | 0 | 0 | 114.4 | K198 F258 A259 V260 W330 H333 | K198-E262 WeakPolarHBondContact CD-O 3.33Å; F258-E262 WeakPolarHBondContact O-CG 3.4Å; F258-E262 PolarHBondContact O-N 3.47Å; A259-E262 PolarHBondContact O-N 2.87Å; V260-E262 VanDerWaalsContact C-N 3.27Å; V260-E262 PolarHBondContact O-N 3.03Å; E262-W330 HydrophobicContact CB-CH2 3.83Å; E262-W330 HydrophobicContact CB-CZ3 4.26Å; E262-H333 IonicContact OE2-CD2 2.73Å; E262-H333 IonicContact OE2-CE1 2.93Å; E262-H333 IonicContact OE2-NE2 2.97Å; E262-H333 PolarHBondContact OE2-NE2 3.36Å |
| 263 | C | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -66.6 | 148.4 | -174.9 | 75 | 0 | 0 | 0 | 0 | 112.8 | K198 M200 A259 V260 H287 A288 W330 | K198-C263 VanDerWaalsContact O-CA 3.32Å; K198-C263 WeakPolarHBondContact O-CA 3.22Å; K198-C263 WeakPolarHBondContact O-CB 3.43Å; M200-C263 HydrophobicContact CB-CB 3.67Å; A259-C263 WeakPolarHBondContact O-CB 3.45Å; A259-C263 PolarHBondContact O-N 3.18Å; V260-C263 PolarHBondContact O-SG 3.49Å; C263-H287 CarbonylContact O-C 3.4Å; C263-A288 PolarHBondContact O-N 3.46Å; C263-W330 HydrophobicContact CB-CZ2 4.42Å | ||
| 264 | D | 98.6 | Very high | 98 | Very high | 48 Ų | 48 | 15.2 Ų | 15.2 | 26% | 0.257 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -99.4 | -15.5 | 176 | 68.8 | -7.1 | 0 | 0 | 0 | 112.8 | Q197 K198 A288 S289 | Q197-D264 PolarHBondContact N-OD2 3.36Å; K198-D264 VanDerWaalsContact CA-OD1 3.25Å; K198-D264 WeakPolarHBondContact CA-OD1 3.27Å; K198-D264 HydrophobicContact CB-CB 4.37Å; K198-D264 VanDerWaalsContact N-CG 3.25Å; K198-D264 PolarHBondContact N-OD1 2.95Å; K198-D264 PolarHBondContact N-OD2 2.62Å; K198-D264 VanDerWaalsContact N-OD2 3.15Å; K198-D264 PolarHBondContact O-N 3.17Å; K198-D264 VanDerWaalsContact O-N 3.14Å; K198-D264 VanDerWaalsContact O-OD1 3.1Å; D264-A288 WeakPolarHBondContact O-CA 3.22Å; D264-S289 PolarHBondContact O-N 3.17Å |
| 265 | L | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 120.4 | 173.2 | 178.7 | 64.3 | 0 | 0 | 0 | 109.5 | M192 L193 A196 P199 M200 I267 S289 I291 | M192-L265 HydrophobicContact CE-CD1 3.78Å; L193-L265 HydrophobicContact CB-CD2 4.25Å; L193-L265 HydrophobicContact CD1-CD2 3.92Å; A196-L265 HydrophobicContact CB-CB 3.78Å; A196-L265 HydrophobicContact CB-CD2 3.74Å; A196-L265 HydrophobicContact CB-CG 4.42Å; P199-L265 CarbonylContact C-O 3.43Å; P199-L265 WeakPolarHBondContact CA-O 3.36Å; P199-L265 HydrophobicContact CB-CB 4.29Å; P199-L265 HydrophobicContact CB-CD2 4.35Å; M200-L265 PolarHBondContact N-O 3.4Å; L265-I267 HydrophobicContact CD2-CD1 4.29Å; L265-I267 HydrophobicContact CD2-CG1 4.27Å; L265-I267 HydrophobicContact CG-CG1 4.12Å; L265-S289 WeakPolarHBondContact CA-O 3.44Å; L265-I291 HydrophobicContact CD1-CD1 3.95Å; L265-I291 HydrophobicContact CD1-CG1 4.06Å; L265-I291 HydrophobicContact CD2-CD1 4.2Å |
| 266 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.1 | 172.8 | -172.2 | 70.3 | 0 | 0 | 0 | 109.4 | M200 V260 F273 F284 A285 A288 S289 V290 I291 | M200-L266 HydrophobicContact CB-CD1 4.16Å; M200-L266 HydrophobicContact CG-CD1 4.24Å; V260-L266 HydrophobicContact CG1-CD1 4.33Å; V260-L266 HydrophobicContact CG2-CD1 4.49Å; L266-F273 HydrophobicContact CD2-CE1 3.96Å; L266-F273 HydrophobicContact CD2-CZ 4.47Å; L266-F284 HydrophobicContact CD2-CE1 3.73Å; L266-F284 HydrophobicContact CD2-CZ 4.41Å; L266-A285 HydrophobicContact CD2-CB 3.99Å; L266-A288 HydrophobicContact CB-CB 3.94Å; L266-S289 PolarHBondContact N-O 2.9Å; L266-V290 WeakPolarHBondContact O-CA 3.45Å; L266-I291 PolarHBondContact O-N 2.83Å |
| 267 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 102.1 | 175.6 | -51.8 | -174.4 | 0 | 0 | 0 | 108.5 | L193 M200 L201 Y202 M225 L265 V269 I291 M293 | L193-I267 HydrophobicContact CD1-CD1 3.92Å; L193-I267 HydrophobicContact CD2-CD1 4.49Å; M200-I267 PolarHBondContact O-N 3.5Å; L201-I267 HydrophobicContact CD1-CB 3.79Å; L201-I267 HydrophobicContact CD1-CG2 3.81Å; Y202-I267 PolarHBondContact N-O 2.83Å; M225-I267 HydrophobicContact CE-CD1 3.75Å; M225-I267 HydrophobicContact CE-CG1 4.25Å; M225-I267 HydrophobicContact SD-CD1 4.14Å; L265-I267 HydrophobicContact CD2-CD1 4.29Å; L265-I267 HydrophobicContact CD2-CG1 4.27Å; L265-I267 HydrophobicContact CG-CG1 4.12Å; I267-V269 HydrophobicContact CG2-CG2 3.94Å; I267-I291 CarbonylContact C-O 3.5Å; I267-I291 WeakPolarHBondContact CA-O 3.35Å; I267-I291 HydrophobicContact CD1-CD1 4.37Å; I267-I291 HydrophobicContact CG1-CB 4.38Å; I267-I291 HydrophobicContact CG1-CD1 4.26Å; I267-I291 HydrophobicContact CG2-CB 4.31Å; I267-I291 HydrophobicContact CG2-CG2 4.3Å; I267-M293 HydrophobicContact CG2-CE 3.31Å |
| 268 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 119.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y202 F273 I291 M293 | Y202-A268 HydrophobicContact CD1-CB 3.8Å; Y202-A268 HydrophobicContact CE1-CB 4.41Å; Y202-A268 WeakPolarHBondContact O-CA 3.46Å; A268-F273 HydrophobicContact CB-CE2 3.68Å; A268-F273 HydrophobicContact CB-CZ 3.54Å; A268-I291 PolarHBondContact N-O 3.1Å; A268-M293 PolarHBondContact O-N 3.16Å |
| 269 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 104.8 | -176.5 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | L201 Y202 G204 V207 I267 A271 M293 L314 L318 | L201-V269 HydrophobicContact CD1-CG2 3.59Å; L201-V269 HydrophobicContact CG-CG2 4.35Å; Y202-V269 PolarHBondContact O-N 3.2Å; G204-V269 PolarHBondContact N-O 3.08Å; V207-V269 HydrophobicContact CG2-CB 4.44Å; V207-V269 HydrophobicContact CG2-CG1 3.69Å; I267-V269 HydrophobicContact CG2-CG2 3.94Å; V269-A271 VanDerWaalsContact C-N 3.32Å; V269-A271 PolarHBondContact O-N 3.37Å; V269-M293 HydrophobicContact CG2-CE 4.3Å; V269-M293 HydrophobicContact CG2-SD 4.22Å; V269-L314 HydrophobicContact CG1-CD1 4.02Å; V269-L314 HydrophobicContact CG1-CD2 3.82Å; V269-L314 HydrophobicContact CG1-CG 4.48Å; V269-L318 HydrophobicContact CG1-CD1 4.3Å; V269-L318 HydrophobicContact CG1-CD2 4.11Å; V269-L318 HydrophobicContact CG1-CG 4.49Å; V269-L318 HydrophobicContact CG2-CD2 4.36Å |
| 270 | G | 98.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 61.1 | 39.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G204 G205 G206 M293 | G204-G270 CarbonylContact C-O 3.54Å; G204-G270 VanDerWaalsContact C-O 3.31Å; G204-G270 VanDerWaalsContact CA-O 3.22Å; G204-G270 WeakPolarHBondContact CA-O 3.47Å; G205-G270 PolarHBondContact N-O 3.22Å; G206-G270 PolarHBondContact N-O 3.35Å; G270-M293 PolarHBondContact N-O 3.03Å |
| 271 | A | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 15% | 0.151 | C | C | . | . | trans | -129.9 | 143.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y202 V269 H292 | Y202-A271 HydrophobicContact CD1-CB 4.12Å; Y202-A271 HydrophobicContact CE1-CB 3.59Å; Y202-A271 HydrophobicContact CE2-CB 4.16Å; V269-A271 VanDerWaalsContact C-N 3.32Å; V269-A271 PolarHBondContact O-N 3.37Å; A271-H292 PolarHBondContact O-NE2 2.9Å | ||
| 272 | R | 97 | Very high | 96.6 | Very high | 63 Ų | 63 | 37 Ų | 37 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | trans | -108.5 | 17.9 | -171.1 | 66.9 | 175.4 | -176.7 | 76.1 | 5.4 | 116.2 | D274 E299 | R272-D274 VanDerWaalsContact C-N 3.25Å; R272-D274 IonicContact CZ-OD2 2.69Å; R272-D274 IonicContact NH1-OD2 3.88Å; R272-D274 PolarHBondContact NH1-OD2 3.1Å; R272-D274 IonicContact NH2-OD2 3.79Å; R272-D274 PolarHBondContact NH2-OD2 2.95Å; R272-D274 PolarHBondContact O-N 2.75Å; R272-D274 VanDerWaalsContact O-N 3.15Å; R272-E299 VanDerWaalsContact CB-OE2 3.26Å; R272-E299 WeakPolarHBondContact CB-OE2 3.4Å | ||
| 273 | F | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | trans | 49.7 | 40.9 | 179.6 | -67 | -88.7 | 0 | 0 | 0 | 114.8 | Y202 L266 A268 T278 F284 V290 H292 L303 R304 | Y202-F273 HydrophobicContact CD1-CE1 4.33Å; Y202-F273 HydrophobicContact CE1-CD1 4.19Å; Y202-F273 HydrophobicContact CE1-CE1 4.21Å; L266-F273 HydrophobicContact CD2-CE1 3.96Å; L266-F273 HydrophobicContact CD2-CZ 4.47Å; A268-F273 HydrophobicContact CB-CE2 3.68Å; A268-F273 HydrophobicContact CB-CZ 3.54Å; F273-T278 HydrophobicContact CB-CG2 3.99Å; F273-T278 HydrophobicContact CD1-CG2 4.09Å; F273-T278 WeakPolarHBondContact O-CG2 3.18Å; F273-F284 HydrophobicContact CD1-CD1 4.33Å; F273-F284 AromaticContact CD1-CE1 3.96Å; F273-F284 HydrophobicContact CD1-CE1 3.96Å; F273-F284 HydrophobicContact CE1-CD1 4.46Å; F273-F284 AromaticContact CE1-CE1 3.97Å; F273-F284 HydrophobicContact CE1-CE1 3.97Å; F273-V290 HydrophobicContact CZ-CG1 4.05Å; F273-H292 AromaticContact CD2-CE1 3.94Å; F273-H292 AromaticContact CE2-CE1 3.74Å; F273-H292 AromaticContact CE2-CG 3.98Å; F273-H292 AromaticContact CE2-ND1 3.72Å; F273-H292 AromaticContact CE2-NE2 3.97Å; F273-L303 HydrophobicContact CB-CB 4.17Å; F273-L303 HydrophobicContact CB-CD1 4.23Å; F273-L303 WeakPolarHBondContact O-CD1 3.4Å; F273-R304 HydrophobicContact CD1-CB 3.99Å; F273-R304 HydrophobicContact CD1-CG 4.49Å; F273-R304 HydrophobicContact CD2-CB 4.26Å; F273-R304 HydrophobicContact CE1-CB 4.02Å; F273-R304 HydrophobicContact CE1-CG 4.11Å; F273-R304 HydrophobicContact CE2-CB 4.29Å; F273-R304 HydrophobicContact CG-CB 4.1Å; F273-R304 HydrophobicContact CZ-CB 4.17Å; F273-R304 HydrophobicContact CZ-CG 4.31Å | ||
| 274 | D | 97.1 | Very high | 96.4 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | trans | -54.2 | 149 | -178.8 | -174.5 | -94.3 | 0 | 0 | 0 | 113 | R272 R276 V277 T278 | R272-D274 VanDerWaalsContact C-N 3.25Å; R272-D274 IonicContact CZ-OD2 2.69Å; R272-D274 IonicContact NH1-OD2 3.88Å; R272-D274 PolarHBondContact NH1-OD2 3.1Å; R272-D274 IonicContact NH2-OD2 3.79Å; R272-D274 PolarHBondContact NH2-OD2 2.95Å; R272-D274 PolarHBondContact O-N 2.75Å; R272-D274 VanDerWaalsContact O-N 3.15Å; D274-R276 VanDerWaalsContact C-N 3.26Å; D274-R276 PolarHBondContact O-N 2.95Å; D274-R276 WeakPolarHBondContact OD1-CA 3.2Å; D274-R276 WeakPolarHBondContact OD1-CB 3.34Å; D274-R276 VanDerWaalsContact OD1-CG 3.31Å; D274-R276 WeakPolarHBondContact OD1-CG 3.17Å; D274-R276 PolarHBondContact OD1-N 3.09Å; D274-V277 WeakPolarHBondContact O-CA 3.41Å; D274-V277 WeakPolarHBondContact O-CB 3.28Å; D274-V277 PolarHBondContact O-N 2.95Å; D274-T278 PolarHBondContact O-N 3.13Å; D274-T278 PolarHBondContact O-OG1 2.96Å | ||
| 275 | D | 94.1 | Very high | 96.3 | Very high | 85 Ų | 85 | 33.5 Ų | 33.5 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.1 | -24.4 | -177.8 | 64.3 | 75.7 | 0 | 0 | 0 | 113.5 | V277 G279 | D275-V277 PolarHBondContact O-N 3.13Å; D275-G279 PolarHBondContact O-N 3.41Å |
| 276 | R | 95.1 | Very high | 96.2 | Very high | 127 Ų | 127 | 36.3 Ų | 36.3 | 48% | 0.479 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69 | -19.4 | 170.1 | -58.2 | -60.7 | 103 | 165.5 | 12.2 | 112.4 | G249 M250 D274 | G249-R276 CarbonylContact C-O 3.43Å; G249-R276 WeakPolarHBondContact CA-O 3.41Å; M250-R276 WeakPolarHBondContact CB-O 3.35Å; M250-R276 PolarHBondContact N-O 2.75Å; D274-R276 VanDerWaalsContact C-N 3.26Å; D274-R276 PolarHBondContact O-N 2.95Å; D274-R276 WeakPolarHBondContact OD1-CA 3.2Å; D274-R276 WeakPolarHBondContact OD1-CB 3.34Å; D274-R276 VanDerWaalsContact OD1-CG 3.31Å; D274-R276 WeakPolarHBondContact OD1-CG 3.17Å; D274-R276 PolarHBondContact OD1-N 3.09Å |
| 277 | V | 96.2 | Very high | 96.1 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -94.5 | -48.3 | 176.3 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | Y202 T230 L248 G249 D274 D275 F284 N540 | Y202-V277 HydrophobicContact CE2-CG1 4.02Å; Y202-V277 WeakPolarHBondContact OH-CG1 3.41Å; T230-V277 HydrophobicContact CG2-CG2 4.16Å; L248-V277 HydrophobicContact CD1-CG1 3.73Å; L248-V277 HydrophobicContact CD2-CG1 3.78Å; L248-V277 HydrophobicContact CD2-CG2 4.26Å; L248-V277 HydrophobicContact CG-CG1 3.7Å; G249-V277 WeakPolarHBondContact CA-O 3.44Å; D274-V277 WeakPolarHBondContact O-CA 3.41Å; D274-V277 WeakPolarHBondContact O-CB 3.28Å; D274-V277 PolarHBondContact O-N 2.95Å; D275-V277 PolarHBondContact O-N 3.13Å; V277-F284 HydrophobicContact CG1-CE2 4.4Å; V277-F284 HydrophobicContact CG1-CZ 4.27Å; V277-N540 PolarHBondContact O-ND2 3.42Å |
| 278 | T | 95.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -84.2 | -16.1 | -168 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | F273 D274 K280 L281 F284 N540 | F273-T278 HydrophobicContact CB-CG2 3.99Å; F273-T278 HydrophobicContact CD1-CG2 4.09Å; F273-T278 WeakPolarHBondContact O-CG2 3.18Å; D274-T278 PolarHBondContact O-N 3.13Å; D274-T278 PolarHBondContact O-OG1 2.96Å; T278-K280 CarbonylContact O-C 3.45Å; T278-K280 PolarHBondContact O-N 3.26Å; T278-L281 HydrophobicContact CG2-CD1 4.04Å; T278-F284 HydrophobicContact CG2-CD1 3.84Å; T278-F284 HydrophobicContact CG2-CD2 4.18Å; T278-F284 HydrophobicContact CG2-CE1 3.97Å; T278-F284 HydrophobicContact CG2-CE2 4.29Å; T278-F284 HydrophobicContact CG2-CG 3.94Å; T278-F284 HydrophobicContact CG2-CZ 4.18Å; T278-N540 VanDerWaalsContact C-OD1 3.25Å; T278-N540 PolarHBondContact O-OD1 3.3Å |
| 279 | G | 93.2 | Very high | 96.1 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 55.4 | -124.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D275 L281 | D275-G279 PolarHBondContact O-N 3.41Å; G279-L281 PolarHBondContact O-N 3.33Å; G279-L281 VanDerWaalsContact O-N 3.13Å |
| 280 | K | 94.5 | Very high | 96 | Very high | 106 Ų | 106 | 45.3 Ų | 45.3 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -74.7 | 100.9 | 168.4 | -174.6 | 177.5 | -173.9 | 175.2 | 0 | 110.9 | T278 N282 T283 F284 A538 | T278-K280 CarbonylContact O-C 3.45Å; T278-K280 PolarHBondContact O-N 3.26Å; K280-N282 VanDerWaalsContact C-N 3.31Å; K280-N282 PolarHBondContact O-N 2.87Å; K280-N282 VanDerWaalsContact O-N 3.14Å; K280-T283 WeakPolarHBondContact CB-OG1 3.22Å; K280-T283 HydrophobicContact CD-CG2 4.09Å; K280-T283 HydrophobicContact CG-CG2 4.44Å; K280-T283 PolarHBondContact O-N 2.89Å; K280-T283 PolarHBondContact O-OG1 3.45Å; K280-F284 PolarHBondContact O-N 3.36Å; K280-A538 WeakPolarHBondContact CB-O 3.23Å; K280-A538 PolarHBondContact N-O 3.17Å |
| 281 | L | 92.6 | Very high | 96.1 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -49.8 | -41.5 | -175.5 | -174.8 | 60.1 | 0 | 0 | 0 | 115.3 | T278 G279 T283 F284 L303 | T278-L281 HydrophobicContact CG2-CD1 4.04Å; G279-L281 PolarHBondContact O-N 3.33Å; G279-L281 VanDerWaalsContact O-N 3.13Å; L281-T283 PolarHBondContact O-N 2.94Å; L281-F284 WeakPolarHBondContact O-CB 3.23Å; L281-F284 PolarHBondContact O-N 2.78Å; L281-F284 VanDerWaalsContact O-N 3.12Å; L281-L303 HydrophobicContact CD2-CB 4.07Å; L281-L303 HydrophobicContact CD2-CD2 4.46Å; L281-L303 WeakPolarHBondContact CD2-O 3.32Å |
| 282 | N | 91.4 | Very high | 96.1 | Very high | 146 Ų | 146 | 44.7 Ų | 44.7 | 78% | 0.781 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -67.5 | -17.9 | 179.7 | -73 | -7.2 | 0 | 0 | 0 | 113.7 | K280 | K280-N282 VanDerWaalsContact C-N 3.31Å; K280-N282 PolarHBondContact O-N 2.87Å; K280-N282 VanDerWaalsContact O-N 3.14Å |
| 283 | T | 95 | Very high | 96.2 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -105.6 | 1.3 | 175.9 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | Q261 K280 L281 P286 | Q261-T283 PolarHBondContact NE2-O 3.49Å; Q261-T283 PolarHBondContact OE1-O 3.42Å; K280-T283 WeakPolarHBondContact CB-OG1 3.22Å; K280-T283 HydrophobicContact CD-CG2 4.09Å; K280-T283 HydrophobicContact CG-CG2 4.44Å; K280-T283 PolarHBondContact O-N 2.89Å; K280-T283 PolarHBondContact O-OG1 3.45Å; L281-T283 PolarHBondContact O-N 2.94Å; T283-P286 WeakPolarHBondContact O-CD 3.21Å |
| 284 | F | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -77.7 | 127.1 | 178.9 | -174.8 | -105.1 | 0 | 0 | 0 | 110.9 | L248 V260 L266 F273 V277 T278 K280 L281 R304 | L248-F284 HydrophobicContact CD1-CE2 4.36Å; L248-F284 HydrophobicContact CD1-CZ 4.18Å; V260-F284 HydrophobicContact CG1-CD2 4.37Å; V260-F284 HydrophobicContact CG1-CE1 4.25Å; V260-F284 HydrophobicContact CG1-CE2 3.66Å; V260-F284 HydrophobicContact CG1-CZ 3.59Å; L266-F284 HydrophobicContact CD2-CE1 3.73Å; L266-F284 HydrophobicContact CD2-CZ 4.41Å; F273-F284 HydrophobicContact CD1-CD1 4.33Å; F273-F284 AromaticContact CD1-CE1 3.96Å; F273-F284 HydrophobicContact CD1-CE1 3.96Å; F273-F284 HydrophobicContact CE1-CD1 4.46Å; F273-F284 AromaticContact CE1-CE1 3.97Å; F273-F284 HydrophobicContact CE1-CE1 3.97Å; V277-F284 HydrophobicContact CG1-CE2 4.4Å; V277-F284 HydrophobicContact CG1-CZ 4.27Å; T278-F284 HydrophobicContact CG2-CD1 3.84Å; T278-F284 HydrophobicContact CG2-CD2 4.18Å; T278-F284 HydrophobicContact CG2-CE1 3.97Å; T278-F284 HydrophobicContact CG2-CE2 4.29Å; T278-F284 HydrophobicContact CG2-CG 3.94Å; T278-F284 HydrophobicContact CG2-CZ 4.18Å; K280-F284 PolarHBondContact O-N 3.36Å; L281-F284 WeakPolarHBondContact O-CB 3.23Å; L281-F284 PolarHBondContact O-N 2.78Å; L281-F284 VanDerWaalsContact O-N 3.12Å; F284-R304 PolarHBondContact O-NH1 3.48Å; F284-R304 PolarHBondContact O-NH2 3.23Å |
| 285 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 43.6 | 59.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V260 L266 H287 A288 R304 | V260-A285 HydrophobicContact CG1-CB 4.06Å; V260-A285 WeakPolarHBondContact O-CA 3.39Å; L266-A285 HydrophobicContact CD2-CB 3.99Å; A285-H287 PolarHBondContact O-N 3.16Å; A285-A288 HydrophobicContact CB-CB 3.86Å; A285-A288 PolarHBondContact O-N 2.5Å; A285-R304 PolarHBondContact O-NH2 2.78Å |
| 286 | P | 96.4 | Very high | 96.1 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 41% | 0.409 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.7 | -165.9 | 28.2 | -35.3 | 0 | 0 | 0 | 113.5 | Q261 T283 | Q261-P286 WeakPolarHBondContact O-CD 3.32Å; T283-P286 WeakPolarHBondContact O-CD 3.21Å |
| 287 | H | 96.6 | Very high | 96 | Very high | 139 Ų | 139 | 38.6 Ų | 38.6 | 64% | 0.644 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -3.2 | -178.8 | -54.9 | -50.6 | 0 | 0 | 0 | 113.3 | C263 A285 | C263-H287 CarbonylContact O-C 3.4Å; A285-H287 PolarHBondContact O-N 3.16Å |
| 288 | A | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | trans | -91.4 | 130.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C263 D264 L266 A285 | C263-A288 PolarHBondContact O-N 3.46Å; D264-A288 WeakPolarHBondContact O-CA 3.22Å; L266-A288 HydrophobicContact CB-CB 3.94Å; A285-A288 HydrophobicContact CB-CB 3.86Å; A285-A288 PolarHBondContact O-N 2.5Å | ||
| 289 | S | 98.4 | Very high | 96 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 152.7 | 149.6 | -63.6 | 0 | 0 | 0 | 0 | 109.6 | M192 D264 L265 L266 | M192-S289 VanDerWaalsContact CE-CB 3.44Å; D264-S289 PolarHBondContact O-N 3.17Å; L265-S289 WeakPolarHBondContact CA-O 3.44Å; L266-S289 PolarHBondContact N-O 2.9Å |
| 290 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.2 | -171.8 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | L266 F273 R304 H307 V308 | L266-V290 WeakPolarHBondContact O-CA 3.45Å; F273-V290 HydrophobicContact CZ-CG1 4.05Å; V290-R304 HydrophobicContact CG1-CG 4.48Å; V290-R304 HydrophobicContact CG2-CG 4.09Å; V290-H307 PolarHBondContact N-ND1 2.8Å; V290-H307 WeakPolarHBondContact O-CB 3.36Å; V290-H307 PolarHBondContact O-N 2.89Å; V290-V308 PolarHBondContact O-N 2.84Å |
| 291 | I | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.4 | 162.7 | -62.9 | 166.7 | 0 | 0 | 0 | 106.9 | A189 M192 L265 L266 I267 A268 M293 V308 L310 | A189-I291 HydrophobicContact CB-CD1 3.85Å; A189-I291 HydrophobicContact CB-CG1 4.38Å; A189-I291 HydrophobicContact CB-CG2 4.35Å; M192-I291 HydrophobicContact CB-CD1 4.29Å; M192-I291 HydrophobicContact CE-CG1 4.21Å; M192-I291 HydrophobicContact SD-CG1 4.26Å; L265-I291 HydrophobicContact CD1-CD1 3.95Å; L265-I291 HydrophobicContact CD1-CG1 4.06Å; L265-I291 HydrophobicContact CD2-CD1 4.2Å; L266-I291 PolarHBondContact O-N 2.83Å; I267-I291 CarbonylContact C-O 3.5Å; I267-I291 WeakPolarHBondContact CA-O 3.35Å; I267-I291 HydrophobicContact CD1-CD1 4.37Å; I267-I291 HydrophobicContact CG1-CB 4.38Å; I267-I291 HydrophobicContact CG1-CD1 4.26Å; I267-I291 HydrophobicContact CG2-CB 4.31Å; I267-I291 HydrophobicContact CG2-CG2 4.3Å; A268-I291 PolarHBondContact N-O 3.1Å; I291-M293 HydrophobicContact CG2-CE 3.96Å; I291-V308 WeakPolarHBondContact CA-O 3.39Å; I291-V308 HydrophobicContact CG1-CB 4.33Å; I291-L310 HydrophobicContact CG2-CD1 3.85Å; I291-L310 HydrophobicContact CG2-CG 4.43Å |
| 292 | H | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 114.6 | -179.5 | -167.5 | -179.7 | 0 | 0 | 0 | 110.2 | A271 F273 D294 E299 M300 A306 V308 L310 | A271-H292 PolarHBondContact O-NE2 2.9Å; F273-H292 AromaticContact CD2-CE1 3.94Å; F273-H292 AromaticContact CE2-CE1 3.74Å; F273-H292 AromaticContact CE2-CG 3.98Å; F273-H292 AromaticContact CE2-ND1 3.72Å; F273-H292 AromaticContact CE2-NE2 3.97Å; H292-D294 IonicContact NE2-OD2 2.68Å; H292-E299 PolarHBondContact CE1-O 3.09Å; H292-M300 HydrophobicContact CB-SD 4.19Å; H292-A306 HydrophobicContact CB-CB 3.78Å; H292-V308 PolarHBondContact N-O 2.82Å; H292-L310 PolarHBondContact O-N 2.86Å |
| 293 | M | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120 | 173.7 | -61.2 | 172.4 | -138.5 | 0 | 0 | 109.8 | I267 A268 V269 G270 I291 L310 L314 L317 L318 L321 | I267-M293 HydrophobicContact CG2-CE 3.31Å; A268-M293 PolarHBondContact O-N 3.16Å; V269-M293 HydrophobicContact CG2-CE 4.3Å; V269-M293 HydrophobicContact CG2-SD 4.22Å; G270-M293 PolarHBondContact N-O 3.03Å; I291-M293 HydrophobicContact CG2-CE 3.96Å; M293-L310 WeakPolarHBondContact CA-O 3.23Å; M293-L310 HydrophobicContact CB-CB 4.48Å; M293-L310 HydrophobicContact CE-CD1 4.14Å; M293-L310 HydrophobicContact CG-CB 3.81Å; M293-L310 HydrophobicContact CG-CD1 3.83Å; M293-L310 HydrophobicContact CG-CG 4.4Å; M293-L310 HydrophobicContact SD-CD1 4.39Å; M293-L314 HydrophobicContact CB-CD2 3.71Å; M293-L314 HydrophobicContact SD-CD2 4.49Å; M293-L317 HydrophobicContact CB-CD1 4.35Å; M293-L317 HydrophobicContact CG-CD1 4.32Å; M293-L317 HydrophobicContact SD-CB 4.21Å; M293-L318 HydrophobicContact SD-CD2 4.39Å; M293-L321 HydrophobicContact CE-CD1 3.14Å; M293-L321 HydrophobicContact SD-CD1 4.03Å |
| 294 | D | 97.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 153.7 | 178.1 | -147.2 | -63.8 | 0 | 0 | 0 | 110 | H292 D296 M300 L310 Q311 G312 | H292-D294 IonicContact NE2-OD2 2.68Å; D294-D296 PolarHBondContact OD1-N 2.91Å; D294-M300 HydrophobicContact CB-CE 3.57Å; D294-M300 HydrophobicContact CB-SD 4.18Å; D294-M300 WeakPolarHBondContact O-CE 3.41Å; D294-L310 PolarHBondContact N-O 3.43Å; D294-Q311 VanDerWaalsContact O-CA 3.3Å; D294-Q311 WeakPolarHBondContact O-CA 3.43Å; D294-G312 PolarHBondContact O-N 3.29Å |
| 295 | I | 95.5 | Very high | 96.4 | Very high | 55 Ų | 55 | 48 Ų | 48 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -84 | -26.3 | 174.8 | -166.4 | 62.9 | 0 | 0 | 0 | 110.9 | R149 P297 | R149-I295 HydrophobicContact CB-CG2 4.19Å; I295-P297 WeakPolarHBondContact O-CD 3.21Å |
| 296 | D | 95 | Very high | 96.4 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | trans | -95 | 111.8 | -174.7 | -171 | -10.5 | 0 | 0 | 0 | 111.2 | R149 D294 A298 E299 | R149-D296 HydrophobicContact CB-CB 4.12Å; R149-D296 WeakPolarHBondContact CD-OD2 3.29Å; R149-D296 IonicContact NH1-OD2 3.38Å; D294-D296 PolarHBondContact OD1-N 2.91Å; D296-A298 PolarHBondContact O-N 3.43Å; D296-A298 VanDerWaalsContact O-N 3.14Å; D296-A298 VanDerWaalsContact OD1-CB 3.24Å; D296-A298 WeakPolarHBondContact OD1-CB 3.4Å; D296-A298 PolarHBondContact OD1-N 2.77Å; D296-E299 HydrophobicContact CB-CB 4.44Å; D296-E299 HydrophobicContact CB-CG 4Å; D296-E299 PolarHBondContact O-N 2.69Å | ||
| 297 | P | 93.3 | Very high | 96.5 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.9 | 177.6 | 26.8 | -34.3 | 0 | 0 | 0 | 112.7 | I295 E299 M300 | I295-P297 WeakPolarHBondContact O-CD 3.21Å; P297-E299 VanDerWaalsContact C-N 3.26Å; P297-E299 PolarHBondContact O-N 2.82Å; P297-M300 PolarHBondContact O-N 3.18Å |
| 298 | A | 95.2 | Very high | 96.6 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 53% | 0.529 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -17.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D296 | D296-A298 PolarHBondContact O-N 3.43Å; D296-A298 VanDerWaalsContact O-N 3.14Å; D296-A298 VanDerWaalsContact OD1-CB 3.24Å; D296-A298 WeakPolarHBondContact OD1-CB 3.4Å; D296-A298 PolarHBondContact OD1-N 2.77Å |
| 299 | E | 96.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -23.7 | 174.1 | -66.5 | -60.9 | 150.2 | 0 | 0 | 112.3 | R149 R272 H292 D296 P297 N301 K302 | R149-E299 IonicContact CZ-OE1 3.87Å; R149-E299 IonicContact NH1-OE1 2.86Å; R149-E299 PolarHBondContact NH1-OE1 2.86Å; R272-E299 VanDerWaalsContact CB-OE2 3.26Å; R272-E299 WeakPolarHBondContact CB-OE2 3.4Å; H292-E299 PolarHBondContact CE1-O 3.09Å; D296-E299 HydrophobicContact CB-CB 4.44Å; D296-E299 HydrophobicContact CB-CG 4Å; D296-E299 PolarHBondContact O-N 2.69Å; P297-E299 VanDerWaalsContact C-N 3.26Å; P297-E299 PolarHBondContact O-N 2.82Å; E299-N301 PolarHBondContact O-N 3.15Å; E299-K302 PolarHBondContact O-N 3.23Å; E299-K302 IonicContact OE1-NZ 3.76Å; E299-K302 PolarHBondContact OE1-NZ 2.93Å; E299-K302 WeakPolarHBondContact OE2-CE 3.49Å; E299-K302 IonicContact OE2-NZ 2.64Å; E299-K302 PolarHBondContact OE2-NZ 3.16Å |
| 300 | M | 94 | Very high | 96.5 | Very high | 24 Ų | 24 | 44.2 Ų | 44.2 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 128.5 | 179.6 | -62.6 | -63.2 | -170.6 | 0 | 0 | 111.1 | H292 D294 P297 K302 A309 L310 Q311 | H292-M300 HydrophobicContact CB-SD 4.19Å; D294-M300 HydrophobicContact CB-CE 3.57Å; D294-M300 HydrophobicContact CB-SD 4.18Å; D294-M300 WeakPolarHBondContact O-CE 3.41Å; P297-M300 PolarHBondContact O-N 3.18Å; M300-K302 PolarHBondContact O-N 3.31Å; M300-A309 HydrophobicContact SD-CB 3.98Å; M300-L310 WeakPolarHBondContact CE-O 3.36Å; M300-Q311 HydrophobicContact CE-CB 4.27Å |
| 301 | N | 95.5 | Very high | 96.3 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 11.3 | 179.8 | -56 | -57.8 | 0 | 0 | 0 | 115.4 | E299 R304 Q305 A306 | E299-N301 PolarHBondContact O-N 3.15Å; N301-R304 WeakPolarHBondContact CA-O 3.29Å; N301-Q305 WeakPolarHBondContact OD1-CA 3.31Å; N301-A306 PolarHBondContact OD1-N 2.93Å |
| 302 | K | 96.7 | Very high | 96.1 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 47% | 0.47 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -67.2 | -48.3 | -178.8 | -175.9 | 176.1 | 62.2 | 178.5 | 0 | 112.5 | E299 M300 | E299-K302 PolarHBondContact O-N 3.23Å; E299-K302 IonicContact OE1-NZ 3.76Å; E299-K302 PolarHBondContact OE1-NZ 2.93Å; E299-K302 WeakPolarHBondContact OE2-CE 3.49Å; E299-K302 IonicContact OE2-NZ 2.64Å; E299-K302 PolarHBondContact OE2-NZ 3.16Å; M300-K302 PolarHBondContact O-N 3.31Å |
| 303 | L | 95.8 | Very high | 95.9 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 41% | 0.414 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -113.5 | -43.5 | -178.6 | -64.5 | 179 | 0 | 0 | 0 | 111.9 | F273 L281 | F273-L303 HydrophobicContact CB-CB 4.17Å; F273-L303 HydrophobicContact CB-CD1 4.23Å; F273-L303 WeakPolarHBondContact O-CD1 3.4Å; L281-L303 HydrophobicContact CD2-CB 4.07Å; L281-L303 HydrophobicContact CD2-CD2 4.46Å; L281-L303 WeakPolarHBondContact CD2-O 3.32Å |
| 304 | R | 93.9 | Very high | 95.8 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -120.7 | 128.3 | 179 | -174.2 | 64.4 | 176.1 | -142.1 | -9 | 109.4 | F273 F284 A285 V290 N301 A306 | F273-R304 HydrophobicContact CD1-CB 3.99Å; F273-R304 HydrophobicContact CD1-CG 4.49Å; F273-R304 HydrophobicContact CD2-CB 4.26Å; F273-R304 HydrophobicContact CE1-CB 4.02Å; F273-R304 HydrophobicContact CE1-CG 4.11Å; F273-R304 HydrophobicContact CE2-CB 4.29Å; F273-R304 HydrophobicContact CG-CB 4.1Å; F273-R304 HydrophobicContact CZ-CB 4.17Å; F273-R304 HydrophobicContact CZ-CG 4.31Å; F284-R304 PolarHBondContact O-NH1 3.48Å; F284-R304 PolarHBondContact O-NH2 3.23Å; A285-R304 PolarHBondContact O-NH2 2.78Å; V290-R304 HydrophobicContact CG1-CG 4.48Å; V290-R304 HydrophobicContact CG2-CG 4.09Å; N301-R304 WeakPolarHBondContact CA-O 3.29Å; R304-A306 PolarHBondContact O-N 3.13Å |
| 305 | Q | 95.3 | Very high | 95.8 | Very high | 156 Ų | 156 | 54.8 Ų | 54.8 | 73% | 0.729 | 29% | 0.292 | S | S | * | . | trans | -69.3 | 119.3 | 174.3 | -171 | 173.4 | 7.1 | 0 | 0 | 109.8 | N301 | N301-Q305 WeakPolarHBondContact OD1-CA 3.31Š| ||
| 306 | A | 97.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | trans | -78.4 | 139.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | H292 N301 R304 A309 | H292-A306 HydrophobicContact CB-CB 3.78Å; N301-A306 PolarHBondContact OD1-N 2.93Å; R304-A306 PolarHBondContact O-N 3.13Å; A306-A309 HydrophobicContact CB-CB 4.22Å | ||
| 307 | H | 98.1 | Very high | 96 | Very high | 118 Ų | 118 | 52.5 Ų | 52.5 | 55% | 0.546 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -78.1 | -34.5 | 168.6 | -67.1 | 61 | 0 | 0 | 0 | 110.1 | M192 V290 | M192-H307 HydrophobicContact CE-CB 3.89Å; M192-H307 HydrophobicContact SD-CB 4.43Å; V290-H307 PolarHBondContact N-ND1 2.8Å; V290-H307 WeakPolarHBondContact O-CB 3.36Å; V290-H307 PolarHBondContact O-N 2.89Å |
| 308 | V | 98.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 121.9 | 167.3 | 178 | 0 | 0 | 0 | 0 | 108.4 | E185 Q188 A189 M192 V290 I291 H292 L310 | E185-V308 HydrophobicContact CB-CG1 3.93Å; E185-V308 WeakPolarHBondContact O-CG1 3.35Å; Q188-V308 HydrophobicContact CB-CG2 3.94Å; A189-V308 HydrophobicContact CB-CG1 4.12Å; M192-V308 HydrophobicContact SD-CB 4.33Å; M192-V308 HydrophobicContact SD-CG2 3.44Å; M192-V308 WeakPolarHBondContact SD-CG2 3.45Å; V290-V308 PolarHBondContact O-N 2.84Å; I291-V308 WeakPolarHBondContact CA-O 3.39Å; I291-V308 HydrophobicContact CG1-CB 4.33Å; H292-V308 PolarHBondContact N-O 2.82Å; V308-L310 HydrophobicContact CG1-CD2 4.04Å; V308-L310 HydrophobicContact CG1-CG 4.08Å |
| 309 | A | 97.5 | Very high | 96.4 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | M300 A306 | M300-A309 HydrophobicContact SD-CB 3.98Å; A306-A309 HydrophobicContact CB-CB 4.22Å |
| 310 | L | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 92.1 | -179.1 | -67.4 | 176.4 | 0 | 0 | 0 | 108.4 | P182 E185 V186 A189 I291 H292 M293 D294 M300 V308 L317 L321 | P182-L310 HydrophobicContact CG-CD2 4.08Å; E185-L310 HydrophobicContact CB-CD2 3.55Å; V186-L310 HydrophobicContact CG2-CD2 3.83Å; A189-L310 HydrophobicContact CB-CD1 4.03Å; I291-L310 HydrophobicContact CG2-CD1 3.85Å; I291-L310 HydrophobicContact CG2-CG 4.43Å; H292-L310 PolarHBondContact O-N 2.86Å; M293-L310 WeakPolarHBondContact CA-O 3.23Å; M293-L310 HydrophobicContact CB-CB 4.48Å; M293-L310 HydrophobicContact CE-CD1 4.14Å; M293-L310 HydrophobicContact CG-CB 3.81Å; M293-L310 HydrophobicContact CG-CD1 3.83Å; M293-L310 HydrophobicContact CG-CG 4.4Å; M293-L310 HydrophobicContact SD-CD1 4.39Å; D294-L310 PolarHBondContact N-O 3.43Å; M300-L310 WeakPolarHBondContact CE-O 3.36Å; V308-L310 HydrophobicContact CG1-CD2 4.04Å; V308-L310 HydrophobicContact CG1-CG 4.08Å; L310-L317 HydrophobicContact CB-CD1 3.99Å; L310-L317 HydrophobicContact CB-CD2 4.2Å; L310-L321 HydrophobicContact CD1-CD1 3.81Å |
| 311 | Q | 95.3 | Very high | 96.6 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123.8 | 174 | -174.5 | -174.1 | -8.3 | 0 | 0 | 109.7 | D294 M300 | D294-Q311 VanDerWaalsContact O-CA 3.3Å; D294-Q311 WeakPolarHBondContact O-CA 3.43Å; M300-Q311 HydrophobicContact CE-CB 4.27Å |
| 312 | G | 93.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 154.7 | -174.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D294 L314 | D294-G312 PolarHBondContact O-N 3.29Å; G312-L314 PolarHBondContact O-N 2.88Å |
| 313 | D | 93.7 | Very high | 96.7 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | trans | -68.3 | 124.8 | 178.1 | -174 | -8.3 | 0 | 0 | 0 | 110.6 | N315 A316 L317 | D313-N315 PolarHBondContact O-N 3.13Å; D313-N315 WeakPolarHBondContact OD1-CB 3.39Å; D313-N315 PolarHBondContact OD1-N 3.12Å; D313-N315 PolarHBondContact OD1-ND2 3.5Å; D313-A316 PolarHBondContact O-N 3.29Å; D313-L317 WeakPolarHBondContact O-CG 3.44Å; D313-L317 PolarHBondContact O-N 2.9Å | ||
| 314 | L | 97.2 | Very high | 96.8 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -28.8 | 177.1 | -62.9 | -179.8 | 0 | 0 | 0 | 112.4 | V207 A210 A212 V269 M293 G312 A316 L317 L318 | V207-L314 HydrophobicContact CG2-CD1 4.01Å; A210-L314 HydrophobicContact CB-CB 4.43Å; A210-L314 HydrophobicContact CB-CD1 4.29Å; A212-L314 HydrophobicContact CB-CB 3.71Å; V269-L314 HydrophobicContact CG1-CD1 4.02Å; V269-L314 HydrophobicContact CG1-CD2 3.82Å; V269-L314 HydrophobicContact CG1-CG 4.48Å; M293-L314 HydrophobicContact CB-CD2 3.71Å; M293-L314 HydrophobicContact SD-CD2 4.49Å; G312-L314 PolarHBondContact O-N 2.88Å; L314-A316 PolarHBondContact O-N 3Å; L314-L317 PolarHBondContact O-N 2.98Å; L314-L318 HydrophobicContact CB-CD1 4.16Å; L314-L318 VanDerWaalsContact O-CB 3.28Å; L314-L318 WeakPolarHBondContact O-CB 3.39Å; L314-L318 WeakPolarHBondContact O-CG 3.34Å; L314-L318 PolarHBondContact O-N 3.23Å |
| 315 | N | 97 | Very high | 97 | Very high | 61 Ų | 61 | 43.6 Ų | 43.6 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -22.4 | 175.1 | -65.8 | -75.5 | 0 | 0 | 0 | 113 | A210 A212 D313 P319 | A210-N315 PolarHBondContact O-ND2 3.46Å; A212-N315 WeakPolarHBondContact CA-OD1 3.3Å; D313-N315 PolarHBondContact O-N 3.13Å; D313-N315 WeakPolarHBondContact OD1-CB 3.39Å; D313-N315 PolarHBondContact OD1-N 3.12Å; D313-N315 PolarHBondContact OD1-ND2 3.5Å; N315-P319 WeakPolarHBondContact O-CD 3.25Å; N315-P319 WeakPolarHBondContact O-CG 3.44Å |
| 316 | A | 96.5 | Very high | 97 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 35% | 0.347 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -94.6 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F181 D313 L314 A320 | F181-A316 HydrophobicContact CD2-CB 4.1Å; F181-A316 HydrophobicContact CE2-CB 3.87Å; D313-A316 PolarHBondContact O-N 3.29Å; L314-A316 PolarHBondContact O-N 3Å; A316-A320 WeakPolarHBondContact O-CB 3.48Å; A316-A320 PolarHBondContact O-N 3.4Å |
| 317 | L | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -44 | -175.6 | -66.7 | 173.8 | 0 | 0 | 0 | 112.9 | F181 P182 V186 M293 L310 D313 L314 A320 L321 | F181-L317 HydrophobicContact CE2-CD2 4.09Å; P182-L317 HydrophobicContact CG-CD2 3.97Å; V186-L317 HydrophobicContact CG2-CD2 4.01Å; M293-L317 HydrophobicContact CB-CD1 4.35Å; M293-L317 HydrophobicContact CG-CD1 4.32Å; M293-L317 HydrophobicContact SD-CB 4.21Å; L310-L317 HydrophobicContact CB-CD1 3.99Å; L310-L317 HydrophobicContact CB-CD2 4.2Å; D313-L317 WeakPolarHBondContact O-CG 3.44Å; D313-L317 PolarHBondContact O-N 2.9Å; L314-L317 PolarHBondContact O-N 2.98Å; L317-A320 PolarHBondContact O-N 2.57Å; L317-L321 WeakPolarHBondContact O-CG 3.24Å; L317-L321 PolarHBondContact O-N 3.41Å |
| 318 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -49.6 | -177.7 | -72.7 | 164 | 0 | 0 | 0 | 111.9 | A212 A215 L216 F219 V269 M293 L314 A320 L321 Q322 | A212-L318 HydrophobicContact CB-CD1 4.42Å; A215-L318 HydrophobicContact CB-CB 4.33Å; A215-L318 HydrophobicContact CB-CD1 4.31Å; L216-L318 HydrophobicContact CB-CD1 4.11Å; L216-L318 HydrophobicContact CD1-CD1 4.47Å; L216-L318 HydrophobicContact CD1-CD2 4.4Å; F219-L318 HydrophobicContact CB-CB 4.42Å; F219-L318 HydrophobicContact CB-CD2 4.34Å; F219-L318 HydrophobicContact CD1-CD2 4.34Å; F219-L318 HydrophobicContact CD2-CD2 4.41Å; F219-L318 WeakPolarHBondContact CD2-O 3.27Å; F219-L318 HydrophobicContact CG-CD2 4.1Å; V269-L318 HydrophobicContact CG1-CD1 4.3Å; V269-L318 HydrophobicContact CG1-CD2 4.11Å; V269-L318 HydrophobicContact CG1-CG 4.49Å; V269-L318 HydrophobicContact CG2-CD2 4.36Å; M293-L318 HydrophobicContact SD-CD2 4.39Å; L314-L318 HydrophobicContact CB-CD1 4.16Å; L314-L318 VanDerWaalsContact O-CB 3.28Å; L314-L318 WeakPolarHBondContact O-CB 3.39Å; L314-L318 WeakPolarHBondContact O-CG 3.34Å; L314-L318 PolarHBondContact O-N 3.23Å; L318-A320 VanDerWaalsContact C-N 3.29Å; L318-A320 PolarHBondContact O-N 3.42Å; L318-L321 PolarHBondContact O-N 3.3Å; L318-Q322 PolarHBondContact O-N 3.34Å |
| 319 | P | 98.1 | Very high | 97.1 | Very high | 50 Ų | 50 | 46.6 Ų | 46.6 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -39.5 | 174.8 | -28.4 | 38.7 | 0 | 0 | 0 | 113.6 | A215 N315 L321 Q322 | A215-P319 HydrophobicContact CB-CG 4.45Å; N315-P319 WeakPolarHBondContact O-CD 3.25Å; N315-P319 WeakPolarHBondContact O-CG 3.44Å; P319-L321 PolarHBondContact O-N 3.31Å; P319-Q322 WeakPolarHBondContact O-CB 3.2Å; P319-Q322 WeakPolarHBondContact O-CG 3.46Å; P319-Q322 PolarHBondContact O-N 3.04Å; P319-Q322 VanDerWaalsContact O-N 3.1Å |
| 320 | A | 97.9 | Very high | 97.1 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.6 | -22.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F181 V186 R190 A316 L317 L318 | F181-A320 HydrophobicContact CE2-CB 4.48Å; F181-A320 HydrophobicContact CZ-CB 3.69Å; V186-A320 HydrophobicContact CG1-CB 3.83Å; R190-A320 WeakPolarHBondContact CD-O 3.22Å; R190-A320 PolarHBondContact NH1-O 3.34Å; A316-A320 WeakPolarHBondContact O-CB 3.48Å; A316-A320 PolarHBondContact O-N 3.4Å; L317-A320 PolarHBondContact O-N 2.57Å; L318-A320 VanDerWaalsContact C-N 3.29Å; L318-A320 PolarHBondContact O-N 3.42Å |
| 321 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.7 | 177.2 | -62.1 | 177.7 | 0 | 0 | 0 | 113.8 | V186 A189 R190 F219 M293 L310 L317 L318 P319 Q323 | V186-L321 HydrophobicContact CG1-CD2 4.09Å; A189-L321 HydrophobicContact CB-CD2 3.62Å; R190-L321 HydrophobicContact CG-CD2 3.8Å; F219-L321 HydrophobicContact CD2-CB 4.42Å; F219-L321 HydrophobicContact CE2-CB 3.82Å; M293-L321 HydrophobicContact CE-CD1 3.14Å; M293-L321 HydrophobicContact SD-CD1 4.03Å; L310-L321 HydrophobicContact CD1-CD1 3.81Å; L317-L321 WeakPolarHBondContact O-CG 3.24Å; L317-L321 PolarHBondContact O-N 3.41Å; L318-L321 PolarHBondContact O-N 3.3Å; P319-L321 PolarHBondContact O-N 3.31Å; L321-Q323 PolarHBondContact O-N 2.88Å |
| 322 | Q | 97.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 48 Ų | 48 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | trans | -60.8 | 127.6 | 179.7 | -69.9 | 179.9 | -2.3 | 0 | 0 | 111.3 | R190 F219 A222 L318 P319 | R190-Q322 PolarHBondContact NH1-O 3.3Å; R190-Q322 PolarHBondContact NH2-O 3.45Å; F219-Q322 HydrophobicContact CB-CG 4.24Å; F219-Q322 HydrophobicContact CD2-CG 4.02Å; A222-Q322 HydrophobicContact CB-CB 4.29Å; A222-Q322 HydrophobicContact CB-CG 4.45Å; L318-Q322 PolarHBondContact O-N 3.34Å; P319-Q322 WeakPolarHBondContact O-CB 3.2Å; P319-Q322 WeakPolarHBondContact O-CG 3.46Å; P319-Q322 PolarHBondContact O-N 3.04Å; P319-Q322 VanDerWaalsContact O-N 3.1Å | ||
| 323 | Q | 97 | Very high | 97.5 | Very high | 26 Ų | 26 | 51 Ų | 51 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | trans | -167 | 152 | 172.3 | 57.9 | -168.9 | -1.9 | 0 | 0 | 111.1 | R190 L193 T223 L321 L325 | R190-Q323 PolarHBondContact O-NE2 3.42Å; L193-Q323 HydrophobicContact CD2-CG 4.23Å; T223-Q323 WeakPolarHBondContact CA-O 3.46Å; T223-Q323 WeakPolarHBondContact CG2-O 3.43Å; L321-Q323 PolarHBondContact O-N 2.88Å; Q323-L325 HydrophobicContact CG-CD2 4.03Å | ||
| 324 | P | 97 | Very high | 97.7 | Very high | 115 Ų | 115 | 47.2 Ų | 47.2 | 75% | 0.747 | 26% | 0.261 | S | S | * | . | trans | -67 | 145.7 | 171 | 29.6 | -35.1 | 0 | 0 | 0 | 110.9 | ||||
| 325 | L | 97.4 | Very high | 97.7 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | trans | -121.8 | 147.9 | 177.3 | -54.2 | 179.3 | 0 | 0 | 0 | 110.6 | L193 P199 T223 M225 Q323 I327 | L193-L325 HydrophobicContact CD1-CD1 3.71Å; L193-L325 HydrophobicContact CD1-CD2 4.1Å; L193-L325 HydrophobicContact CD2-CD2 4.5Å; L193-L325 HydrophobicContact CG-CD1 4.27Å; L193-L325 HydrophobicContact CG-CD2 3.83Å; P199-L325 HydrophobicContact CG-CD1 4.08Å; T223-L325 HydrophobicContact CG2-CD1 4.45Å; M225-L325 HydrophobicContact CG-CD1 3.44Å; M225-L325 VanDerWaalsContact CG-CD1 3.44Å; M225-L325 HydrophobicContact SD-CD1 3.74Å; Q323-L325 HydrophobicContact CG-CD2 4.03Å; L325-I327 HydrophobicContact CB-CD1 4.12Å; L325-I327 HydrophobicContact CB-CG1 3.96Å; L325-I327 HydrophobicContact CB-CG2 4.13Å; L325-I327 HydrophobicContact CD1-CD1 4.04Å | ||
| 326 | N | 96.7 | Very high | 97.7 | Very high | 132 Ų | 132 | 50.8 Ų | 50.8 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | trans | -102 | 77.7 | 174.1 | -174.1 | 23.8 | 0 | 0 | 0 | 110.1 | ||||
| 327 | I | 98.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | trans | -130.8 | 30.7 | -170.9 | 58.7 | 168.9 | 0 | 0 | 0 | 112.2 | P199 M225 L325 D329 W330 Q331 | P199-I327 HydrophobicContact CG-CD1 3.72Å; P199-I327 HydrophobicContact CG-CG2 4.03Å; M225-I327 HydrophobicContact CG-CD1 4.14Å; L325-I327 HydrophobicContact CB-CD1 4.12Å; L325-I327 HydrophobicContact CB-CG1 3.96Å; L325-I327 HydrophobicContact CB-CG2 4.13Å; L325-I327 HydrophobicContact CD1-CD1 4.04Å; I327-D329 VanDerWaalsContact C-N 3.28Å; I327-D329 PolarHBondContact O-N 2.91Å; I327-W330 HydrophobicContact CB-CB 4.37Å; I327-W330 PolarHBondContact O-N 3.02Å; I327-W330 VanDerWaalsContact O-N 3.09Å; I327-Q331 HydrophobicContact CD1-CG 4.33Å; I327-Q331 HydrophobicContact CG1-CG 4.14Å; I327-Q331 WeakPolarHBondContact O-CG 3.48Å; I327-Q331 PolarHBondContact O-N 3.21Å | ||
| 328 | N | 98 | Very high | 97.7 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.5 | -40.8 | -174 | -65.2 | -45.3 | 0 | 0 | 0 | 112.8 | W330 Q331 Q332 | N328-W330 VanDerWaalsContact C-N 3.33Å; N328-W330 PolarHBondContact O-N 3.41Å; N328-Q331 WeakPolarHBondContact O-CB 3.28Å; N328-Q331 PolarHBondContact O-N 3.23Å; N328-Q331 PolarHBondContact OD1-OE1 3.41Å; N328-Q332 WeakPolarHBondContact O-CG 3.34Å; N328-Q332 PolarHBondContact O-N 3.07Å |
| 329 | D | 98.3 | Very high | 97.5 | Very high | 134 Ų | 134 | 57.6 Ų | 57.6 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 179.3 | -63.8 | -8.7 | 0 | 0 | 0 | 111 | I327 Q332 H333 | I327-D329 VanDerWaalsContact C-N 3.28Å; I327-D329 PolarHBondContact O-N 2.91Å; D329-Q332 PolarHBondContact O-N 3.43Å; D329-H333 WeakPolarHBondContact O-CB 3.39Å; D329-H333 PolarHBondContact O-N 2.88Å |
| 330 | W | 98.5 | Very high | 97.4 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 4% | 0.038 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 177.6 | -178.3 | -126.8 | 0 | 0 | 0 | 112.4 | Q197 K198 P199 A259 E262 C263 I327 N328 Q332 H333 C334 | Q197-W330 WeakPolarHBondContact O-CB 3.43Å; K198-W330 VanDerWaalsContact CA-CD1 3.48Å; K198-W330 HydrophobicContact CB-CD2 3.7Å; K198-W330 HydrophobicContact CB-CE3 4.06Å; K198-W330 HydrophobicContact CB-CG 4.01Å; K198-W330 HydrophobicContact CB-CZ2 4.23Å; K198-W330 HydrophobicContact CB-CZ3 4.46Å; K198-W330 HydrophobicContact CD-CD2 4.45Å; K198-W330 HydrophobicContact CD-CE3 3.97Å; K198-W330 HydrophobicContact CD-CZ3 4.04Å; K198-W330 HydrophobicContact CG-CD2 3.89Å; K198-W330 HydrophobicContact CG-CE3 3.83Å; K198-W330 HydrophobicContact CG-CG 4.19Å; K198-W330 HydrophobicContact CG-CZ3 4.36Å; P199-W330 PolarHBondContact O-NE1 2.92Å; A259-W330 HydrophobicContact CB-CH2 4.25Å; A259-W330 HydrophobicContact CB-CZ2 4.17Å; E262-W330 HydrophobicContact CB-CH2 3.83Å; E262-W330 HydrophobicContact CB-CZ3 4.26Å; C263-W330 HydrophobicContact CB-CZ2 4.42Å; I327-W330 HydrophobicContact CB-CB 4.37Å; I327-W330 PolarHBondContact O-N 3.02Å; I327-W330 VanDerWaalsContact O-N 3.09Å; N328-W330 VanDerWaalsContact C-N 3.33Å; N328-W330 PolarHBondContact O-N 3.41Å; W330-Q332 VanDerWaalsContact C-N 3.34Å; W330-Q332 PolarHBondContact O-N 3.2Å; W330-H333 HydrophobicContact CE3-CB 4.21Å; W330-H333 AromaticContact CE3-CD2 3.74Å; W330-H333 AromaticContact CZ3-CD2 3.22Å; W330-H333 WeakPolarHBondContact CZ3-CD2 3.47Å; W330-H333 AromaticContact CZ3-NE2 3.89Å; W330-H333 PolarHBondContact O-N 2.91Å; W330-C334 WeakPolarHBondContact CZ2-SG 3.18Å; W330-C334 PolarHBondContact O-N 3.35Å; W330-C334 PolarHBondContact O-SG 3.35Å |
| 331 | Q | 98.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 173.5 | -77.6 | 168.2 | -8.4 | 0 | 0 | 112.3 | K224 Y243 I327 N328 A335 | K224-Q331 PolarHBondContact O-NE2 3.26Å; Y243-Q331 HydrophobicContact CD1-CB 3.9Å; Y243-Q331 HydrophobicContact CD1-CG 4.05Å; Y243-Q331 HydrophobicContact CD2-CG 4.47Å; Y243-Q331 HydrophobicContact CE1-CB 3.52Å; Y243-Q331 HydrophobicContact CE1-CG 3.82Å; Y243-Q331 HydrophobicContact CE2-CG 4.26Å; Y243-Q331 HydrophobicContact CG-CG 4.37Å; I327-Q331 HydrophobicContact CD1-CG 4.33Å; I327-Q331 HydrophobicContact CG1-CG 4.14Å; I327-Q331 WeakPolarHBondContact O-CG 3.48Å; I327-Q331 PolarHBondContact O-N 3.21Å; N328-Q331 WeakPolarHBondContact O-CB 3.28Å; N328-Q331 PolarHBondContact O-N 3.23Å; N328-Q331 PolarHBondContact OD1-OE1 3.41Å; Q331-A335 WeakPolarHBondContact O-CB 3.4Å; Q331-A335 PolarHBondContact O-N 3.41Å |
| 332 | Q | 98 | Very high | 97.1 | Very high | 132 Ų | 132 | 65.4 Ų | 65.4 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 177.9 | -72.3 | 174.4 | 19 | 0 | 0 | 111.5 | N328 D329 W330 A335 Q336 | N328-Q332 WeakPolarHBondContact O-CG 3.34Å; N328-Q332 PolarHBondContact O-N 3.07Å; D329-Q332 PolarHBondContact O-N 3.43Å; W330-Q332 VanDerWaalsContact C-N 3.34Å; W330-Q332 PolarHBondContact O-N 3.2Å; Q332-A335 PolarHBondContact O-N 3.2Å; Q332-Q336 WeakPolarHBondContact O-CB 3.36Å; Q332-Q336 PolarHBondContact O-N 2.91Å |
| 333 | H | 98.2 | Very high | 97 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 176.3 | -179.4 | 80.3 | 0 | 0 | 0 | 112.2 | E262 D329 W330 A335 Q336 L337 | E262-H333 IonicContact OE2-CD2 2.73Å; E262-H333 IonicContact OE2-CE1 2.93Å; E262-H333 IonicContact OE2-NE2 2.97Å; E262-H333 PolarHBondContact OE2-NE2 3.36Å; D329-H333 WeakPolarHBondContact O-CB 3.39Å; D329-H333 PolarHBondContact O-N 2.88Å; W330-H333 HydrophobicContact CE3-CB 4.21Å; W330-H333 AromaticContact CE3-CD2 3.74Å; W330-H333 AromaticContact CZ3-CD2 3.22Å; W330-H333 WeakPolarHBondContact CZ3-CD2 3.47Å; W330-H333 AromaticContact CZ3-NE2 3.89Å; W330-H333 PolarHBondContact O-N 2.91Å; H333-A335 PolarHBondContact O-N 3.31Å; H333-Q336 PolarHBondContact O-N 3.1Å; H333-L337 WeakPolarHBondContact NE2-CD1 3.21Å; H333-L337 PolarHBondContact O-N 3.29Å |
| 334 | C | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.3 | -70.9 | 0 | 0 | 0 | 0 | 112.7 | P226 L245 W330 L337 R338 | P226-C334 HydrophobicContact CB-CB 4.06Å; P226-C334 HydrophobicContact CG-CB 3.92Å; P226-C334 VanDerWaalsContact CG-SG 3.58Å; L245-C334 HydrophobicContact CD1-CB 4.27Å; L245-C334 HydrophobicContact CD2-CB 4.23Å; L245-C334 WeakPolarHBondContact CD2-O 3.41Å; W330-C334 WeakPolarHBondContact CZ2-SG 3.18Å; W330-C334 PolarHBondContact O-N 3.35Å; W330-C334 PolarHBondContact O-SG 3.35Å; C334-L337 PolarHBondContact O-N 2.82Å; C334-R338 PolarHBondContact O-N 2.86Å |
| 335 | A | 97 | Very high | 96.7 | Very high | 20 Ų | 20 | 71.1 Ų | 71.1 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q331 Q332 H333 R338 D339 | Q331-A335 WeakPolarHBondContact O-CB 3.4Å; Q331-A335 PolarHBondContact O-N 3.41Å; Q332-A335 PolarHBondContact O-N 3.2Å; H333-A335 PolarHBondContact O-N 3.31Å; A335-R338 WeakPolarHBondContact O-CB 3.49Å; A335-R338 PolarHBondContact O-N 3.48Å; A335-D339 VanDerWaalsContact O-CG 3.24Å; A335-D339 PolarHBondContact O-N 2.94Å |
| 336 | Q | 97.2 | Very high | 96.4 | Very high | 124 Ų | 124 | 74.5 Ų | 74.5 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 175.5 | -177.7 | 179.3 | -13.2 | 0 | 0 | 111.9 | Q332 H333 R338 D339 E340 | Q332-Q336 WeakPolarHBondContact O-CB 3.36Å; Q332-Q336 PolarHBondContact O-N 2.91Å; H333-Q336 PolarHBondContact O-N 3.1Å; Q336-R338 VanDerWaalsContact C-N 3.28Å; Q336-R338 PolarHBondContact O-N 3.2Å; Q336-D339 PolarHBondContact O-N 3.36Å; Q336-E340 WeakPolarHBondContact O-CB 3.43Å; Q336-E340 PolarHBondContact O-N 2.85Å |
| 337 | L | 96.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 175.9 | -77.9 | 176.8 | 0 | 0 | 0 | 112.1 | A255 F258 A259 H333 C334 H341 | A255-L337 HydrophobicContact CB-CB 4.04Å; F258-L337 HydrophobicContact CB-CD1 4.28Å; F258-L337 HydrophobicContact CD2-CD2 4.42Å; A259-L337 HydrophobicContact CB-CD1 4.49Å; H333-L337 WeakPolarHBondContact NE2-CD1 3.21Å; H333-L337 PolarHBondContact O-N 3.29Å; C334-L337 PolarHBondContact O-N 2.82Å; L337-H341 WeakPolarHBondContact O-CB 3.42Å; L337-H341 PolarHBondContact O-CD2 3.22Å; L337-H341 VanDerWaalsContact O-CD2 3.3Å; L337-H341 PolarHBondContact O-N 3.4Å; L337-H341 VanDerWaalsContact O-N 3.14Å |
| 338 | R | 96.3 | Very high | 95.9 | Very high | 79 Ų | 79 | 75.2 Ų | 75.2 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -49.6 | 175.7 | -179.3 | -164.1 | 63.3 | -145 | -11.3 | 110.7 | P242 L245 A255 C334 A335 Q336 H341 S342 | P242-R338 PolarHBondContact O-NH1 3Å; L245-R338 HydrophobicContact CD2-CB 3.97Å; A255-R338 HydrophobicContact CB-CB 4.41Å; C334-R338 PolarHBondContact O-N 2.86Å; A335-R338 WeakPolarHBondContact O-CB 3.49Å; A335-R338 PolarHBondContact O-N 3.48Å; Q336-R338 VanDerWaalsContact C-N 3.28Å; Q336-R338 PolarHBondContact O-N 3.2Å; R338-H341 CarbonylContact O-C 3.16Å; R338-H341 PolarHBondContact O-N 3.36Å; R338-S342 PolarHBondContact O-N 3.34Å; R338-S342 VanDerWaalsContact O-N 3.11Å; R338-S342 PolarHBondContact O-OG 2.9Å |
| 339 | D | 95.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 73.8 Ų | 73.8 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | -175.1 | -64.2 | -5.1 | 0 | 0 | 0 | 110.7 | A335 Q336 H341 S342 | A335-D339 VanDerWaalsContact O-CG 3.24Å; A335-D339 PolarHBondContact O-N 2.94Å; Q336-D339 PolarHBondContact O-N 3.36Å; D339-H341 VanDerWaalsContact C-N 3.31Å; D339-H341 PolarHBondContact O-N 2.97Å; D339-S342 WeakPolarHBondContact CA-OG 3.3Å; D339-S342 WeakPolarHBondContact O-CB 3.39Å; D339-S342 PolarHBondContact O-N 3.43Å; D339-S342 PolarHBondContact O-OG 3.42Å |
| 340 | E | 95.8 | Very high | 95.6 | Very high | 128 Ų | 128 | 73.5 Ų | 73.5 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.1 | -35.5 | 175.6 | -175.9 | 177.6 | 169.3 | 0 | 0 | 113.1 | Q336 | Q336-E340 WeakPolarHBondContact O-CB 3.43Å; Q336-E340 PolarHBondContact O-N 2.85Å |
| 341 | H | 94.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 75.3 Ų | 75.3 | 20% | 0.199 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 29.7 | -178.8 | -60.1 | -45 | 0 | 0 | 0 | 113.2 | K254 F258 L337 R338 D339 | K254-H341 HydrophobicContact CB-CB 4.03Å; F258-H341 AromaticContact CD2-NE2 3.73Å; F258-H341 AromaticContact CE2-NE2 3.48Å; F258-H341 WeakPolarHBondContact CE2-NE2 3.45Å; L337-H341 WeakPolarHBondContact O-CB 3.42Å; L337-H341 PolarHBondContact O-CD2 3.22Å; L337-H341 VanDerWaalsContact O-CD2 3.3Å; L337-H341 PolarHBondContact O-N 3.4Å; L337-H341 VanDerWaalsContact O-N 3.14Å; R338-H341 CarbonylContact O-C 3.16Å; R338-H341 PolarHBondContact O-N 3.36Å; D339-H341 VanDerWaalsContact C-N 3.31Å; D339-H341 PolarHBondContact O-N 2.97Å |
| 342 | S | 94.1 | Very high | 95.5 | Very high | 71 Ų | 71 | 75.1 Ų | 75.1 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | trans | -62.1 | 146 | 176.8 | -65.8 | 0 | 0 | 0 | 0 | 112 | R338 D339 R344 | R338-S342 PolarHBondContact O-N 3.34Å; R338-S342 VanDerWaalsContact O-N 3.11Å; R338-S342 PolarHBondContact O-OG 2.9Å; D339-S342 WeakPolarHBondContact CA-OG 3.3Å; D339-S342 WeakPolarHBondContact O-CB 3.39Å; D339-S342 PolarHBondContact O-N 3.43Å; D339-S342 PolarHBondContact O-OG 3.42Å; S342-R344 PolarHBondContact O-N 3.27Å | ||
| 343 | W | 94.5 | Very high | 95.4 | Very high | 88 Ų | 88 | 71 Ų | 71 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | trans | -59.9 | 137.9 | 175.2 | -61.8 | 120.2 | 0 | 0 | 0 | 111.8 | T253 Y345 Q384 H385 | T253-W343 HydrophobicContact CG2-CZ2 4.01Å; W343-Y345 HydrophobicContact CB-CE1 4.49Å; W343-Y345 HydrophobicContact CB-CE2 3.82Å; W343-Q384 HydrophobicContact CH2-CB 4.09Å; W343-Q384 HydrophobicContact CH2-CG 3.86Å; W343-Q384 HydrophobicContact CZ2-CB 3.8Å; W343-Q384 HydrophobicContact CZ2-CG 3.89Å; W343-Q384 PolarHBondContact NE1-O 3.41Å; W343-H385 AromaticContact CD2-CE1 3.63Å; W343-H385 AromaticContact CE2-CE1 3.98Å; W343-H385 AromaticContact CE3-CE1 3.65Å | ||
| 344 | R | 93.1 | Very high | 95.4 | Very high | 174 Ų | 174 | 68.1 Ų | 68.1 | 66% | 0.657 | 36% | 0.355 | S | S | * | . | trans | -107.9 | 135.6 | 172.3 | -77.1 | -175.3 | 65 | -177.3 | 3.6 | 110.2 | S342 D346 | S342-R344 PolarHBondContact O-N 3.27Å; R344-D346 WeakPolarHBondContact CB-OD1 3.35Å; R344-D346 IonicContact CZ-OD1 3.57Å; R344-D346 IonicContact CZ-OD2 2.89Å; R344-D346 IonicContact NE-OD1 3.59Å; R344-D346 PolarHBondContact NE-OD1 2.62Å; R344-D346 IonicContact NE-OD2 2.78Å; R344-D346 IonicContact NH2-OD1 3.75Å; R344-D346 PolarHBondContact NH2-OD1 2.8Å; R344-D346 IonicContact NH2-OD2 2.69Å; R344-D346 PolarHBondContact NH2-OD2 3.31Å | ||
| 345 | Y | 95.4 | Very high | 95.4 | Very high | 56 Ų | 56 | 68.2 Ų | 68.2 | 22% | 0.22 | 36% | 0.356 | C | S | . | . | trans | -119.9 | 6.7 | -179.4 | -59.6 | -73.1 | 0 | 0 | 0 | 113.1 | W343 H347 P355 L356 K359 H385 | W343-Y345 HydrophobicContact CB-CE1 4.49Å; W343-Y345 HydrophobicContact CB-CE2 3.82Å; Y345-H347 PolarHBondContact O-N 3.42Å; Y345-P355 HydrophobicContact CD1-CB 4.41Å; Y345-P355 HydrophobicContact CE1-CB 4.26Å; Y345-L356 HydrophobicContact CD1-CB 4.08Å; Y345-L356 HydrophobicContact CD1-CD1 4.44Å; Y345-L356 HydrophobicContact CG-CD1 4.31Å; Y345-K359 HydrophobicContact CD1-CB 4.3Å; Y345-K359 HydrophobicContact CE1-CB 3.66Å; Y345-K359 HydrophobicContact CE1-CG 4.07Å; Y345-K359 HydrophobicContact CE2-CB 4.44Å; Y345-K359 HydrophobicContact CE2-CD 4.33Å; Y345-K359 HydrophobicContact CE2-CG 3.92Å; Y345-H385 AromaticContact CE1-ND1 3.67Å; Y345-H385 AromaticContact CZ-ND1 3.84Å; Y345-H385 PolarHBondContact OH-ND1 3.21Å; Y345-H385 VanDerWaalsContact OH-ND1 3.17Å | ||
| 346 | D | 92.1 | Very high | 95.5 | Very high | 101 Ų | 101 | 69.4 Ų | 69.4 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | trans | -82.7 | 41.6 | -178.9 | 61.5 | -33.3 | 0 | 0 | 0 | 112.9 | R344 | R344-D346 WeakPolarHBondContact CB-OD1 3.35Å; R344-D346 IonicContact CZ-OD1 3.57Å; R344-D346 IonicContact CZ-OD2 2.89Å; R344-D346 IonicContact NE-OD1 3.59Å; R344-D346 PolarHBondContact NE-OD1 2.62Å; R344-D346 IonicContact NE-OD2 2.78Å; R344-D346 IonicContact NH2-OD1 3.75Å; R344-D346 PolarHBondContact NH2-OD1 2.8Å; R344-D346 IonicContact NH2-OD2 2.69Å; R344-D346 PolarHBondContact NH2-OD2 3.31Å | ||
| 347 | H | 90.9 | Very high | 95.5 | Very high | 48 Ų | 48 | 63.5 Ų | 63.5 | 22% | 0.222 | 33% | 0.332 | C | S | . | . | trans | -57.8 | 134.3 | 176.2 | -166.1 | -82 | 0 | 0 | 0 | 110 | Y345 Y353 K501 E528 | Y345-H347 PolarHBondContact O-N 3.42Å; H347-Y353 HydrophobicContact CB-CD1 3.57Å; H347-Y353 HydrophobicContact CB-CD2 4.06Å; H347-Y353 HydrophobicContact CB-CE1 4.09Å; H347-Y353 HydrophobicContact CB-CG 3.56Å; H347-Y353 AromaticContact CD2-CD2 3.42Å; H347-Y353 VanDerWaalsContact CD2-CD2 3.42Å; H347-Y353 WeakPolarHBondContact CD2-CD2 3.39Å; H347-Y353 AromaticContact CD2-CE2 3.56Å; H347-Y353 AromaticContact CD2-CG 3.87Å; H347-Y353 AromaticContact CG-CD2 3.74Å; H347-Y353 AromaticContact CG-CG 3.72Å; H347-K501 PolarHBondContact O-NZ 2.93Å; H347-E528 IonicContact CE1-OE1 2.7Å; H347-E528 IonicContact NE2-OE1 3.87Å; H347-E528 PolarHBondContact NE2-OE1 2.92Å | ||
| 348 | P | 92.1 | Very high | 95.6 | Very high | 103 Ų | 103 | 62.9 Ų | 62.9 | 67% | 0.669 | 33% | 0.328 | S | S | * | . | trans | -72.1 | 168.3 | 179.1 | 29.5 | -35.1 | 0 | 0 | 0 | 112.6 | K501 | P348-K501 PolarHBondContact O-NZ 3.43Š| ||
| 349 | G | 93.8 | Very high | 95.7 | Very high | 56 Ų | 56 | 62 Ų | 62 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 75.3 | -177.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K501 | G349-K501 WeakPolarHBondContact O-CD 3.45Å; G349-K501 WeakPolarHBondContact O-CE 3.49Å; G349-K501 PolarHBondContact O-NZ 3.33Å |
| 350 | D | 95.7 | Very high | 95.9 | Very high | 127 Ų | 127 | 58.8 Ų | 58.8 | 68% | 0.679 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -98.2 | -14.9 | -175 | -60.8 | -30.3 | 0 | 0 | 0 | 113.6 | R500 K501 | D350-R500 CarbonylContact O-C 3.26Å; D350-R500 VanDerWaalsContact O-CA 3.27Å; D350-R500 WeakPolarHBondContact O-CA 3.33Å; D350-K501 WeakPolarHBondContact O-CG 3.39Å; D350-K501 PolarHBondContact O-N 3.23Å |
| 351 | A | 96.6 | Very high | 96 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 140.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y353 K501 | A351-Y353 PolarHBondContact O-N 3.36Å; A351-K501 WeakPolarHBondContact O-CE 3.25Å; A351-K501 WeakPolarHBondContact O-CG 3.41Å |
| 352 | I | 98.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | trans | -61.2 | 127.1 | -175.2 | -62 | 172.7 | 0 | 0 | 0 | 111 | L357 I498 R500 V504 V522 I524 | I352-L357 HydrophobicContact CG2-CB 4.22Å; I352-L357 HydrophobicContact CG2-CD1 3.8Å; I352-I498 HydrophobicContact CD1-CB 4.04Å; I352-I498 HydrophobicContact CD1-CD1 3.61Å; I352-I498 HydrophobicContact CD1-CG1 3.56Å; I352-R500 WeakPolarHBondContact CG1-O 3.29Å; I352-V504 HydrophobicContact CD1-CG2 4.05Å; I352-V504 HydrophobicContact CG1-CG2 3.95Å; I352-V504 HydrophobicContact CG2-CG2 4.05Å; I352-V522 HydrophobicContact CB-CG1 4.28Å; I352-V522 HydrophobicContact CD1-CG1 3.66Å; I352-V522 HydrophobicContact CG2-CG1 3.77Å; I352-I524 HydrophobicContact CB-CG2 4.39Å; I352-I524 HydrophobicContact CG2-CG2 4.22Å | ||
| 353 | Y | 97.3 | Very high | 96.4 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 18% | 0.18 | 28% | 0.278 | C | S | . | . | trans | -96.3 | 107.8 | 173.5 | -176.8 | -132 | 0 | 0 | 0 | 109.4 | H347 A351 P355 L356 L357 | H347-Y353 HydrophobicContact CB-CD1 3.57Å; H347-Y353 HydrophobicContact CB-CD2 4.06Å; H347-Y353 HydrophobicContact CB-CE1 4.09Å; H347-Y353 HydrophobicContact CB-CG 3.56Å; H347-Y353 AromaticContact CD2-CD2 3.42Å; H347-Y353 VanDerWaalsContact CD2-CD2 3.42Å; H347-Y353 WeakPolarHBondContact CD2-CD2 3.39Å; H347-Y353 AromaticContact CD2-CE2 3.56Å; H347-Y353 AromaticContact CD2-CG 3.87Å; H347-Y353 AromaticContact CG-CD2 3.74Å; H347-Y353 AromaticContact CG-CG 3.72Å; A351-Y353 PolarHBondContact O-N 3.36Å; Y353-P355 HydrophobicContact CD1-CB 4.03Å; Y353-P355 HydrophobicContact CD1-CG 4.4Å; Y353-P355 HydrophobicContact CD2-CG 4.27Å; Y353-P355 HydrophobicContact CE1-CB 3.54Å; Y353-P355 HydrophobicContact CE1-CG 3.87Å; Y353-P355 HydrophobicContact CE2-CB 4.3Å; Y353-P355 HydrophobicContact CE2-CG 3.68Å; Y353-P355 VanDerWaalsContact CZ-CG 3.45Å; Y353-L356 HydrophobicContact CD1-CB 3.92Å; Y353-L356 PolarHBondContact O-N 2.66Å; Y353-L357 PolarHBondContact O-N 2.88Å; Y353-L357 VanDerWaalsContact O-N 3.07Å | ||
| 354 | A | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.1 | -44.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L356 L357 L358 W381 L453 I524 | A354-L356 PolarHBondContact O-N 3.02Å; A354-L357 PolarHBondContact O-N 2.83Å; A354-L358 WeakPolarHBondContact O-CB 3.49Å; A354-L358 VanDerWaalsContact O-CG 3.32Å; A354-L358 WeakPolarHBondContact O-CG 3.41Å; A354-L358 PolarHBondContact O-N 3.33Å; A354-W381 HydrophobicContact CB-CD2 4.28Å; A354-W381 HydrophobicContact CB-CE3 3.83Å; A354-W381 HydrophobicContact CB-CZ3 4.12Å; A354-L453 HydrophobicContact CB-CD1 4.04Å; A354-I524 HydrophobicContact CB-CD1 4.17Å; A354-I524 HydrophobicContact CB-CG2 4.28Å |
| 355 | P | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.1 | -45.1 | 172.4 | -35.5 | 41.8 | 0 | 0 | 0 | 115.1 | Y345 Y353 L358 K359 W381 H385 | Y345-P355 HydrophobicContact CD1-CB 4.41Å; Y345-P355 HydrophobicContact CE1-CB 4.26Å; Y353-P355 HydrophobicContact CD1-CB 4.03Å; Y353-P355 HydrophobicContact CD1-CG 4.4Å; Y353-P355 HydrophobicContact CD2-CG 4.27Å; Y353-P355 HydrophobicContact CE1-CB 3.54Å; Y353-P355 HydrophobicContact CE1-CG 3.87Å; Y353-P355 HydrophobicContact CE2-CB 4.3Å; Y353-P355 HydrophobicContact CE2-CG 3.68Å; Y353-P355 VanDerWaalsContact CZ-CG 3.45Å; P355-L358 PolarHBondContact O-N 2.95Å; P355-K359 WeakPolarHBondContact O-CB 3.48Å; P355-K359 PolarHBondContact O-N 2.9Å; P355-W381 HydrophobicContact CG-CG 4.25Å; P355-H385 WeakPolarHBondContact CB-NE2 3.48Å |
| 356 | L | 98.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 178.3 | 172.4 | 59.1 | 0 | 0 | 0 | 111.2 | Y345 Y353 A354 L358 K359 Q360 | Y345-L356 HydrophobicContact CD1-CB 4.08Å; Y345-L356 HydrophobicContact CD1-CD1 4.44Å; Y345-L356 HydrophobicContact CG-CD1 4.31Å; Y353-L356 HydrophobicContact CD1-CB 3.92Å; Y353-L356 PolarHBondContact O-N 2.66Å; A354-L356 PolarHBondContact O-N 3.02Å; L356-L358 VanDerWaalsContact C-N 3.33Å; L356-L358 PolarHBondContact O-N 3.42Å; L356-K359 PolarHBondContact O-N 3.29Å; L356-Q360 HydrophobicContact CD1-CG 3.95Å; L356-Q360 HydrophobicContact CG-CG 4.46Å; L356-Q360 WeakPolarHBondContact O-CB 3.42Å; L356-Q360 WeakPolarHBondContact O-CG 3.35Å; L356-Q360 PolarHBondContact O-N 3.33Å |
| 357 | L | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 175.7 | 177.6 | 153.4 | 0 | 0 | 0 | 111.5 | I352 Y353 A354 Q360 L361 V451 L453 I498 V504 V522 | I352-L357 HydrophobicContact CG2-CB 4.22Å; I352-L357 HydrophobicContact CG2-CD1 3.8Å; Y353-L357 PolarHBondContact O-N 2.88Å; Y353-L357 VanDerWaalsContact O-N 3.07Å; A354-L357 PolarHBondContact O-N 2.83Å; L357-Q360 PolarHBondContact O-N 3.41Å; L357-L361 PolarHBondContact O-N 2.96Å; L357-V451 HydrophobicContact CD2-CG1 4.19Å; L357-L453 HydrophobicContact CD2-CD2 4.43Å; L357-I498 HydrophobicContact CD1-CD1 4.41Å; L357-V504 HydrophobicContact CB-CG1 4.06Å; L357-V504 HydrophobicContact CD1-CG1 3.93Å; L357-V504 HydrophobicContact CD1-CG2 4.21Å; L357-V504 HydrophobicContact CG-CG1 3.79Å; L357-V522 HydrophobicContact CD1-CB 4.42Å; L357-V522 HydrophobicContact CD1-CG1 3.63Å; L357-V522 HydrophobicContact CD1-CG2 3.95Å |
| 358 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.8 | -35.6 | -179.3 | -67.4 | 166.6 | 0 | 0 | 0 | 111.7 | A354 P355 L356 L361 S362 W381 H385 I386 I425 L453 | A354-L358 WeakPolarHBondContact O-CB 3.49Å; A354-L358 VanDerWaalsContact O-CG 3.32Å; A354-L358 WeakPolarHBondContact O-CG 3.41Å; A354-L358 PolarHBondContact O-N 3.33Å; P355-L358 PolarHBondContact O-N 2.95Å; L356-L358 VanDerWaalsContact C-N 3.33Å; L356-L358 PolarHBondContact O-N 3.42Å; L358-L361 PolarHBondContact O-N 3.24Å; L358-S362 WeakPolarHBondContact O-CB 3.42Å; L358-S362 PolarHBondContact O-N 3.42Å; L358-W381 HydrophobicContact CD1-CB 3.46Å; L358-W381 VanDerWaalsContact CD1-CB 3.46Å; L358-H385 HydrophobicContact CB-CB 4.06Å; L358-I386 HydrophobicContact CB-CD1 4.49Å; L358-I386 HydrophobicContact CB-CG1 4.13Å; L358-I386 HydrophobicContact CD2-CD1 3.92Å; L358-I386 HydrophobicContact CD2-CG1 4.48Å; L358-I425 HydrophobicContact CD2-CD1 4Å; L358-I425 HydrophobicContact CD2-CG1 4.29Å; L358-I425 HydrophobicContact CD2-CG2 3.95Å; L358-L453 HydrophobicContact CD1-CD1 4.23Å |
| 359 | K | 98.4 | Very high | 97.6 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 27% | 0.265 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 169.8 | -179.7 | 60.5 | 171.7 | 75.3 | 0 | 111.7 | Y345 P355 L356 L361 S362 D363 H385 | Y345-K359 HydrophobicContact CD1-CB 4.3Å; Y345-K359 HydrophobicContact CE1-CB 3.66Å; Y345-K359 HydrophobicContact CE1-CG 4.07Å; Y345-K359 HydrophobicContact CE2-CB 4.44Å; Y345-K359 HydrophobicContact CE2-CD 4.33Å; Y345-K359 HydrophobicContact CE2-CG 3.92Å; P355-K359 WeakPolarHBondContact O-CB 3.48Å; P355-K359 PolarHBondContact O-N 2.9Å; L356-K359 PolarHBondContact O-N 3.29Å; K359-L361 VanDerWaalsContact C-N 3.33Å; K359-L361 PolarHBondContact O-N 3.06Å; K359-S362 VanDerWaalsContact O-CB 3.27Å; K359-S362 WeakPolarHBondContact O-CB 3.26Å; K359-S362 PolarHBondContact O-N 2.93Å; K359-S362 VanDerWaalsContact O-N 3.15Å; K359-D363 IonicContact NZ-OD1 3.71Å; K359-D363 PolarHBondContact NZ-OD1 2.8Å; K359-D363 IonicContact NZ-OD2 3.69Å; K359-D363 PolarHBondContact NZ-OD2 3.21Å; K359-D363 VanDerWaalsContact O-CG 3.24Å; K359-D363 PolarHBondContact O-N 2.97Å; K359-H385 WeakPolarHBondContact CA-O 3.46Å |
| 360 | Q | 98.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -36.5 | 177.1 | -78 | 174 | -44.6 | 0 | 0 | 112.5 | L356 L357 R364 V504 E505 L508 | L356-Q360 HydrophobicContact CD1-CG 3.95Å; L356-Q360 HydrophobicContact CG-CG 4.46Å; L356-Q360 WeakPolarHBondContact O-CB 3.42Å; L356-Q360 WeakPolarHBondContact O-CG 3.35Å; L356-Q360 PolarHBondContact O-N 3.33Å; L357-Q360 PolarHBondContact O-N 3.41Å; Q360-R364 WeakPolarHBondContact O-CD 3.44Å; Q360-R364 VanDerWaalsContact O-CG 3.31Å; Q360-R364 WeakPolarHBondContact O-CG 3.44Å; Q360-R364 PolarHBondContact O-N 3.29Å; Q360-R364 PolarHBondContact O-NH1 2.88Å; Q360-V504 VanDerWaalsContact OE1-CG1 3.24Å; Q360-E505 PolarHBondContact NE2-OE1 3.49Å; Q360-L508 HydrophobicContact CB-CD1 3.76Å |
| 361 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 170.3 | 172.1 | 62.8 | 0 | 0 | 0 | 110.9 | L357 L358 K359 D363 R364 K365 I386 V423 I425 V451 L508 M511 L512 | L357-L361 PolarHBondContact O-N 2.96Å; L358-L361 PolarHBondContact O-N 3.24Å; K359-L361 VanDerWaalsContact C-N 3.33Å; K359-L361 PolarHBondContact O-N 3.06Å; L361-D363 PolarHBondContact O-N 2.95Å; L361-R364 PolarHBondContact O-N 2.88Å; L361-R364 VanDerWaalsContact O-N 3.13Å; L361-K365 WeakPolarHBondContact O-CB 3.46Å; L361-K365 PolarHBondContact O-N 2.79Å; L361-I386 HydrophobicContact CD2-CD1 4.12Å; L361-V423 HydrophobicContact CD2-CG1 4.17Å; L361-I425 HydrophobicContact CD2-CD1 3.69Å; L361-V451 HydrophobicContact CD2-CG2 4.47Å; L361-L508 HydrophobicContact CB-CD1 4.29Å; L361-L508 HydrophobicContact CB-CD2 4.14Å; L361-L508 HydrophobicContact CD1-CD2 4.29Å; L361-M511 HydrophobicContact CD1-CE 4.18Å; L361-L512 HydrophobicContact CD1-CD1 4.27Å; L361-L512 HydrophobicContact CD1-CD2 4.15Å; L361-L512 HydrophobicContact CD1-CG 4.49Å |
| 362 | S | 98.4 | Very high | 98.1 | Very high | 16 Ų | 16 | 28 Ų | 28 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.2 | -38.6 | 178 | -171 | 0 | 0 | 0 | 0 | 112.9 | L358 K359 R364 H385 A387 | L358-S362 WeakPolarHBondContact O-CB 3.42Å; L358-S362 PolarHBondContact O-N 3.42Å; K359-S362 VanDerWaalsContact O-CB 3.27Å; K359-S362 WeakPolarHBondContact O-CB 3.26Å; K359-S362 PolarHBondContact O-N 2.93Å; K359-S362 VanDerWaalsContact O-N 3.15Å; S362-R364 VanDerWaalsContact C-N 3.31Å; S362-H385 WeakPolarHBondContact CB-O 3.34Å; S362-A387 PolarHBondContact OG-N 3.49Å |
| 363 | D | 97.8 | Very high | 98.1 | Very high | 100 Ų | 100 | 27.8 Ų | 27.8 | 54% | 0.535 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -76.4 | -20.1 | -178.5 | -64.5 | -21.6 | 0 | 0 | 0 | 113 | K359 L361 | K359-D363 IonicContact NZ-OD1 3.71Å; K359-D363 PolarHBondContact NZ-OD1 2.8Å; K359-D363 IonicContact NZ-OD2 3.69Å; K359-D363 PolarHBondContact NZ-OD2 3.21Å; K359-D363 VanDerWaalsContact O-CG 3.24Å; K359-D363 PolarHBondContact O-N 2.97Å; L361-D363 PolarHBondContact O-N 2.95Å |
| 364 | R | 98.1 | Very high | 98.2 | Very high | 73 Ų | 73 | 25.6 Ų | 25.6 | 28% | 0.275 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -102 | -28.8 | -176.5 | -71.7 | 170.6 | 174.9 | 71.5 | -0.1 | 113.7 | Q360 L361 S362 E505 D509 L512 | Q360-R364 WeakPolarHBondContact O-CD 3.44Å; Q360-R364 VanDerWaalsContact O-CG 3.31Å; Q360-R364 WeakPolarHBondContact O-CG 3.44Å; Q360-R364 PolarHBondContact O-N 3.29Å; Q360-R364 PolarHBondContact O-NH1 2.88Å; L361-R364 PolarHBondContact O-N 2.88Å; L361-R364 VanDerWaalsContact O-N 3.13Å; S362-R364 VanDerWaalsContact C-N 3.31Å; R364-E505 IonicContact NH2-OE1 2.78Å; R364-E505 PolarHBondContact NH2-OE1 3.18Å; R364-E505 IonicContact NH2-OE2 2.63Å; R364-E505 PolarHBondContact NH2-OE2 2.73Å; R364-D509 WeakPolarHBondContact CD-OD1 3.47Å; R364-D509 IonicContact NE-OD1 3.53Å; R364-D509 PolarHBondContact NE-OD1 2.58Å; R364-L512 HydrophobicContact CB-CD1 3.75Å |
| 365 | K | 97.7 | Very high | 98.2 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -66.6 | 149.2 | -176.1 | 70.9 | 175.6 | -175.7 | 59.6 | 0 | 111.2 | L361 C369 V371 I386 A387 | L361-K365 WeakPolarHBondContact O-CB 3.46Å; L361-K365 PolarHBondContact O-N 2.79Å; K365-C369 HydrophobicContact CB-CB 3.97Å; K365-C369 HydrophobicContact CD-CB 3.89Å; K365-C369 HydrophobicContact CG-CB 4.12Å; K365-V371 HydrophobicContact CD-CG2 4.4Å; K365-I386 HydrophobicContact CD-CG2 4.08Å; K365-A387 WeakPolarHBondContact CE-O 3.44Å; K365-A387 PolarHBondContact NZ-O 3.45Å |
| 366 | P | 97.1 | Very high | 98.3 | Very high | 51 Ų | 51 | 27 Ų | 27 | 33% | 0.331 | 15% | 0.15 | S | C | . | . | trans | -55.3 | 151.7 | 167.7 | -27.3 | 36.9 | 0 | 0 | 0 | 112.7 | D368 C369 | P366-D368 WeakPolarHBondContact CB-OD1 3.41Å; P366-D368 PolarHBondContact O-N 3.07Å; P366-C369 HydrophobicContact CB-CB 4.46Å; P366-C369 WeakPolarHBondContact O-CB 3.5Å; P366-C369 PolarHBondContact O-N 3.21Å; P366-C369 VanDerWaalsContact O-N 3.08Å | ||
| 367 | A | 96 | Very high | 98.3 | Very high | 69 Ų | 69 | 25 Ų | 25 | 57% | 0.57 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -32.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T389 N393 | A367-T389 HydrophobicContact CB-CG2 4.18Å; A367-T389 WeakPolarHBondContact O-CG2 3.38Å; A367-T389 PolarHBondContact O-OG1 3.04Å; A367-N393 PolarHBondContact O-ND2 3.36Å |
| 368 | D | 96.7 | Very high | 98.3 | Very high | 68 Ų | 68 | 25.5 Ų | 25.5 | 36% | 0.364 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.1 | 179 | 58.3 | -11.9 | 0 | 0 | 0 | 113.5 | P366 V370 R417 | P366-D368 WeakPolarHBondContact CB-OD1 3.41Å; P366-D368 PolarHBondContact O-N 3.07Å; D368-V370 PolarHBondContact O-N 3.42Å; D368-R417 PolarHBondContact O-NH2 2.86Å |
| 369 | C | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -55.2 | 127.4 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | K365 P366 N393 T421 | K365-C369 HydrophobicContact CB-CB 3.97Å; K365-C369 HydrophobicContact CD-CB 3.89Å; K365-C369 HydrophobicContact CG-CB 4.12Å; P366-C369 HydrophobicContact CB-CB 4.46Å; P366-C369 WeakPolarHBondContact O-CB 3.5Å; P366-C369 PolarHBondContact O-N 3.21Å; P366-C369 VanDerWaalsContact O-N 3.08Å; C369-N393 WeakPolarHBondContact O-CB 3.38Å; C369-T421 CarbonylContact C-O 3.49Å; C369-T421 VanDerWaalsContact CA-O 3.27Å; C369-T421 WeakPolarHBondContact CA-O 3.5Å; C369-T421 PolarHBondContact SG-O 3.41Å; C369-T421 VanDerWaalsContact SG-O 3.37Å | ||
| 370 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128.9 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | D368 T372 I395 A413 T421 V422 V423 | D368-V370 PolarHBondContact O-N 3.42Å; V370-T372 HydrophobicContact CG1-CG2 4.41Å; V370-I395 HydrophobicContact CG1-CD1 3.59Å; V370-I395 HydrophobicContact CG1-CG1 3.97Å; V370-A413 HydrophobicContact CG1-CB 4.03Å; V370-T421 PolarHBondContact N-O 3.42Å; V370-V422 HydrophobicContact CB-CG1 4.39Å; V370-V422 HydrophobicContact CB-CG2 4.14Å; V370-V422 CarbonylContact O-C 3.55Å; V370-V422 WeakPolarHBondContact O-CA 3.47Å; V370-V423 PolarHBondContact O-N 3.42Å |
| 371 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.3 | 171.9 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | K365 T373 I386 N393 F394 I395 V423 I425 | K365-V371 HydrophobicContact CD-CG2 4.4Å; V371-T373 HydrophobicContact CG1-CG2 4.2Å; V371-I386 HydrophobicContact CG1-CD1 4.23Å; V371-I386 HydrophobicContact CG2-CD1 4.5Å; V371-I386 HydrophobicContact CG2-CG2 4.26Å; V371-N393 PolarHBondContact N-O 3.4Å; V371-F394 HydrophobicContact CB-CD2 4.31Å; V371-F394 HydrophobicContact CG1-CD2 4.32Å; V371-F394 HydrophobicContact CG1-CE2 4.45Å; V371-F394 WeakPolarHBondContact O-CA 3.21Å; V371-I395 PolarHBondContact O-N 3.06Å; V371-V423 CarbonylContact C-O 3.21Å; V371-V423 VanDerWaalsContact CA-O 3.28Å; V371-V423 WeakPolarHBondContact CA-O 3.32Å; V371-I425 HydrophobicContact CG1-CG1 3.8Å |
| 372 | T | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 151.9 | 165.8 | 76.5 | 0 | 0 | 0 | 0 | 110 | V370 I395 G406 A409 A410 A413 V422 V423 C424 I425 | V370-T372 HydrophobicContact CG1-CG2 4.41Å; T372-I395 CarbonylContact C-O 3.47Å; T372-I395 WeakPolarHBondContact CA-O 3.46Å; T372-I395 HydrophobicContact CG2-CB 4.04Å; T372-G406 PolarHBondContact OG1-O 2.87Å; T372-A409 HydrophobicContact CG2-CB 4.37Å; T372-A410 HydrophobicContact CG2-CB 3.94Å; T372-A410 WeakPolarHBondContact OG1-CB 3.46Å; T372-A413 HydrophobicContact CG2-CB 4.45Å; T372-V422 HydrophobicContact CG2-CG1 4.38Å; T372-V423 PolarHBondContact N-O 3.05Å; T372-C424 WeakPolarHBondContact O-CA 3.43Å; T372-C424 WeakPolarHBondContact OG1-CA 3.22Å; T372-I425 PolarHBondContact O-N 3.01Å |
| 373 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.2 | 173.7 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | V371 A382 F394 I395 T396 F405 I425 | V371-T373 HydrophobicContact CG1-CG2 4.2Å; T373-A382 HydrophobicContact CG2-CB 3.8Å; T373-F394 HydrophobicContact CG2-CE2 3.62Å; T373-F394 HydrophobicContact CG2-CZ 4.17Å; T373-I395 PolarHBondContact N-O 3.26Å; T373-I395 VanDerWaalsContact N-O 3.09Å; T373-T396 WeakPolarHBondContact OG1-CB 3.47Å; T373-T396 PolarHBondContact OG1-OG1 3.2Å; T373-F405 WeakPolarHBondContact O-CD1 3.25Å; T373-I425 VanDerWaalsContact CA-O 3.27Å; T373-I425 WeakPolarHBondContact CA-O 3.2Å; T373-I425 HydrophobicContact CG2-CB 4.22Å |
| 374 | D | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -76 | -159.2 | 157.8 | -94.8 | -56.5 | 0 | 0 | 0 | 110.9 | H378 Q379 G404 F405 G406 I425 S426 S430 | D374-H378 WeakPolarHBondContact CB-NE2 3.13Å; D374-Q379 WeakPolarHBondContact O-CB 3.46Å; D374-Q379 WeakPolarHBondContact O-CG 3.39Å; D374-G404 WeakPolarHBondContact OD1-CA 3.42Å; D374-G404 PolarHBondContact OD1-N 3.49Å; D374-F405 PolarHBondContact OD1-N 3.07Å; D374-G406 PolarHBondContact OD1-N 3.42Å; D374-G406 PolarHBondContact OD2-N 3.39Å; D374-I425 PolarHBondContact N-O 2.81Å; D374-S426 PolarHBondContact OD2-OG 3.24Å; D374-S430 VanDerWaalsContact CG-CB 3.41Å | ||
| 375 | V | 98.8 | Very high | 98.3 | Very high | 27 Ų | 27 | 16.1 Ų | 16.1 | 16% | 0.164 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -121.6 | 130 | -173 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | H378 T402 M403 S430 | V375-H378 VanDerWaalsContact C-CE1 3.46Å; V375-H378 PolarHBondContact N-NE2 2.92Å; V375-H378 PolarHBondContact O-CE1 3.28Å; V375-T402 WeakPolarHBondContact CG2-O 3.36Å; V375-M403 HydrophobicContact CB-CG 4.11Å; V375-S430 PolarHBondContact O-OG 2.86Å |
| 376 | G | 98.4 | Very high | 98.4 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 9% | 0.093 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 144.6 | -148.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q379 M380 | G376-Q379 WeakPolarHBondContact O-CB 3.23Å; G376-Q379 PolarHBondContact O-N 3.42Å; G376-M380 PolarHBondContact O-N 2.81Å |
| 377 | Q | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.2 | -41.2 | -179 | -62.6 | -178.4 | -56.3 | 0 | 0 | 112.4 | Q379 M380 W381 N455 G459 M460 E528 V530 | Q377-Q379 PolarHBondContact O-N 3.45Å; Q377-M380 PolarHBondContact O-N 2.91Å; Q377-W381 HydrophobicContact CB-CD2 4.3Å; Q377-W381 HydrophobicContact CB-CE3 3.93Å; Q377-W381 HydrophobicContact CB-CH2 3.57Å; Q377-W381 HydrophobicContact CB-CZ2 3.98Å; Q377-W381 HydrophobicContact CB-CZ3 3.54Å; Q377-W381 HydrophobicContact CG-CH2 4.35Å; Q377-W381 PolarHBondContact O-N 3.1Å; Q377-N455 PolarHBondContact OE1-ND2 3.3Å; Q377-G459 PolarHBondContact NE2-O 3.35Å; Q377-G459 VanDerWaalsContact OE1-C 3.3Å; Q377-G459 VanDerWaalsContact OE1-CA 3.24Å; Q377-G459 PolarHBondContact OE1-O 3.32Å; Q377-M460 HydrophobicContact CG-CB 4.15Å; Q377-M460 HydrophobicContact CG-CE 4.16Å; Q377-E528 PolarHBondContact NE2-O 3.47Å; Q377-E528 VanDerWaalsContact NE2-O 3.15Å; Q377-V530 HydrophobicContact CB-CG2 3.49Å; Q377-V530 VanDerWaalsContact CB-CG2 3.49Å; Q377-V530 HydrophobicContact CG-CG2 3.6Å |
| 378 | H | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 12.6 Ų | 12.6 | 6% | 0.056 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.2 | -37.1 | 175.1 | 61.7 | -88 | 0 | 0 | 0 | 112.5 | D374 V375 A382 I425 G427 L453 | D374-H378 WeakPolarHBondContact CB-NE2 3.13Å; V375-H378 VanDerWaalsContact C-CE1 3.46Å; V375-H378 PolarHBondContact N-NE2 2.92Å; V375-H378 PolarHBondContact O-CE1 3.28Å; H378-A382 VanDerWaalsContact O-CB 3.22Å; H378-A382 WeakPolarHBondContact O-CB 3.17Å; H378-A382 PolarHBondContact O-N 2.99Å; H378-I425 HydrophobicContact CB-CG2 4.36Å; H378-I425 PolarHBondContact CD2-O 2.91Å; H378-G427 PolarHBondContact CD2-N 2.84Å; H378-G427 PolarHBondContact CE1-N 2.99Å; H378-G427 VanDerWaalsContact CG-N 3.35Å; H378-G427 WeakPolarHBondContact ND1-CA 3.5Å; H378-G427 PolarHBondContact ND1-N 3.41Å; H378-G427 PolarHBondContact NE2-N 3.43Å; H378-L453 HydrophobicContact CB-CB 4.32Å; H378-L453 HydrophobicContact CB-CD1 3.77Å; H378-L453 HydrophobicContact CB-CG 4.45Å |
| 379 | Q | 98.9 | Very high | 98.4 | Very high | 13 Ų | 13 | 11.8 Ų | 11.8 | 6% | 0.061 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 174.6 | -175.3 | -167.8 | 17.5 | 0 | 0 | 111.4 | D374 G376 Q377 A382 A383 T396 S397 | D374-Q379 WeakPolarHBondContact O-CB 3.46Å; D374-Q379 WeakPolarHBondContact O-CG 3.39Å; G376-Q379 WeakPolarHBondContact O-CB 3.23Å; G376-Q379 PolarHBondContact O-N 3.42Å; Q377-Q379 PolarHBondContact O-N 3.45Å; Q379-A382 PolarHBondContact O-N 2.85Å; Q379-A383 WeakPolarHBondContact O-CB 3.43Å; Q379-A383 PolarHBondContact O-N 3.36Å; Q379-T396 PolarHBondContact NE2-OG1 3.3Å; Q379-S397 PolarHBondContact NE2-O 2.91Å |
| 380 | M | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 16.1 Ų | 16.1 | 11% | 0.108 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.3 | -43.3 | -179.5 | -61.6 | -62.1 | 94.3 | 0 | 0 | 111.4 | L231 H251 G376 Q377 A382 A383 Q384 M460 V530 | L231-M380 HydrophobicContact CD1-CE 4.26Å; L231-M380 HydrophobicContact CD2-CE 4Å; H251-M380 HydrophobicContact CB-CB 4.35Å; H251-M380 HydrophobicContact CB-CG 4.21Å; H251-M380 HydrophobicContact CB-SD 3.96Å; G376-M380 PolarHBondContact O-N 2.81Å; Q377-M380 PolarHBondContact O-N 2.91Å; M380-A382 VanDerWaalsContact C-N 3.31Å; M380-A382 PolarHBondContact O-N 3.24Å; M380-A383 WeakPolarHBondContact O-CB 3.42Å; M380-A383 PolarHBondContact O-N 2.97Å; M380-Q384 WeakPolarHBondContact O-CB 3.47Å; M380-Q384 VanDerWaalsContact O-CG 3.22Å; M380-Q384 WeakPolarHBondContact O-CG 3.26Å; M380-Q384 PolarHBondContact O-N 3.49Å; M380-M460 HydrophobicContact CG-CE 3.88Å; M380-V530 HydrophobicContact CB-CB 4.5Å; M380-V530 HydrophobicContact CB-CG1 3.63Å; M380-V530 HydrophobicContact CB-CG2 4.11Å; M380-V530 HydrophobicContact CG-CG1 4.31Å |
| 381 | W | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 175.1 | -65.5 | -43.4 | 0 | 0 | 0 | 111.8 | A354 P355 L358 Q377 Q384 H385 L453 I524 E528 V530 | A354-W381 HydrophobicContact CB-CD2 4.28Å; A354-W381 HydrophobicContact CB-CE3 3.83Å; A354-W381 HydrophobicContact CB-CZ3 4.12Å; P355-W381 HydrophobicContact CG-CG 4.25Å; L358-W381 HydrophobicContact CD1-CB 3.46Å; L358-W381 VanDerWaalsContact CD1-CB 3.46Å; Q377-W381 HydrophobicContact CB-CD2 4.3Å; Q377-W381 HydrophobicContact CB-CE3 3.93Å; Q377-W381 HydrophobicContact CB-CH2 3.57Å; Q377-W381 HydrophobicContact CB-CZ2 3.98Å; Q377-W381 HydrophobicContact CB-CZ3 3.54Å; Q377-W381 HydrophobicContact CG-CH2 4.35Å; Q377-W381 PolarHBondContact O-N 3.1Å; W381-Q384 PolarHBondContact O-N 3.36Å; W381-H385 WeakPolarHBondContact O-CB 3.44Å; W381-H385 PolarHBondContact O-CD2 3Å; W381-H385 PolarHBondContact O-N 3.33Å; W381-L453 HydrophobicContact CE3-CD1 4.43Å; W381-I524 HydrophobicContact CH2-CD1 4.27Å; W381-I524 HydrophobicContact CZ3-CD1 3.75Å; W381-E528 HydrophobicContact CH2-CB 4.37Å; W381-E528 HydrophobicContact CZ2-CB 4.34Å; W381-V530 HydrophobicContact CD2-CG2 4.29Å; W381-V530 HydrophobicContact CZ2-CG2 4.01Å |
| 382 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T373 H378 Q379 M380 Q384 H385 I386 I425 | T373-A382 HydrophobicContact CG2-CB 3.8Å; H378-A382 VanDerWaalsContact O-CB 3.22Å; H378-A382 WeakPolarHBondContact O-CB 3.17Å; H378-A382 PolarHBondContact O-N 2.99Å; Q379-A382 PolarHBondContact O-N 2.85Å; M380-A382 VanDerWaalsContact C-N 3.31Å; M380-A382 PolarHBondContact O-N 3.24Å; A382-Q384 VanDerWaalsContact C-N 3.3Å; A382-Q384 PolarHBondContact O-N 2.97Å; A382-H385 PolarHBondContact O-N 3.07Å; A382-I386 HydrophobicContact CB-CD1 4.15Å; A382-I386 VanDerWaalsContact O-CB 3.27Å; A382-I386 WeakPolarHBondContact O-CB 3.33Å; A382-I386 PolarHBondContact O-N 2.91Å; A382-I425 HydrophobicContact CB-CG1 4.46Å; A382-I425 HydrophobicContact CB-CG2 4.39Å |
| 383 | A | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 6% | 0.058 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.7 | -32.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | L231 L234 M247 Q379 M380 F394 | L231-A383 HydrophobicContact CD1-CB 3.34Å; L234-A383 HydrophobicContact CD1-CB 3.8Å; M247-A383 HydrophobicContact CE-CB 4.12Å; M247-A383 HydrophobicContact SD-CB 4.07Å; Q379-A383 WeakPolarHBondContact O-CB 3.43Å; Q379-A383 PolarHBondContact O-N 3.36Å; M380-A383 WeakPolarHBondContact O-CB 3.42Å; M380-A383 PolarHBondContact O-N 2.97Å; A383-F394 HydrophobicContact CB-CE1 4.36Å; A383-F394 HydrophobicContact CB-CZ 4.07Å |
| 384 | Q | 98 | Very high | 98.1 | Very high | 21 Ų | 21 | 19.2 Ų | 19.2 | 10% | 0.098 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -82 | -36.9 | -179.1 | -74 | 173.9 | -27.7 | 0 | 0 | 113.2 | M247 H251 W343 M380 W381 A382 W531 | M247-Q384 HydrophobicContact CE-CG 4.43Å; H251-Q384 PolarHBondContact O-NE2 3.29Å; W343-Q384 HydrophobicContact CH2-CB 4.09Å; W343-Q384 HydrophobicContact CH2-CG 3.86Å; W343-Q384 HydrophobicContact CZ2-CB 3.8Å; W343-Q384 HydrophobicContact CZ2-CG 3.89Å; W343-Q384 PolarHBondContact NE1-O 3.41Å; M380-Q384 WeakPolarHBondContact O-CB 3.47Å; M380-Q384 VanDerWaalsContact O-CG 3.22Å; M380-Q384 WeakPolarHBondContact O-CG 3.26Å; M380-Q384 PolarHBondContact O-N 3.49Å; W381-Q384 PolarHBondContact O-N 3.36Å; A382-Q384 VanDerWaalsContact C-N 3.3Å; A382-Q384 PolarHBondContact O-N 2.97Å; Q384-W531 PolarHBondContact NE2-O 3.41Å |
| 385 | H | 98.2 | Very high | 98.1 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -116.8 | -7.2 | -164.7 | -55.7 | -62.9 | 0 | 0 | 0 | 114.3 | W343 Y345 P355 L358 K359 S362 W381 A382 | W343-H385 AromaticContact CD2-CE1 3.63Å; W343-H385 AromaticContact CE2-CE1 3.98Å; W343-H385 AromaticContact CE3-CE1 3.65Å; Y345-H385 AromaticContact CE1-ND1 3.67Å; Y345-H385 AromaticContact CZ-ND1 3.84Å; Y345-H385 PolarHBondContact OH-ND1 3.21Å; Y345-H385 VanDerWaalsContact OH-ND1 3.17Å; P355-H385 WeakPolarHBondContact CB-NE2 3.48Å; L358-H385 HydrophobicContact CB-CB 4.06Å; K359-H385 WeakPolarHBondContact CA-O 3.46Å; S362-H385 WeakPolarHBondContact CB-O 3.34Å; W381-H385 WeakPolarHBondContact O-CB 3.44Å; W381-H385 PolarHBondContact O-CD2 3Å; W381-H385 PolarHBondContact O-N 3.33Å; A382-H385 PolarHBondContact O-N 3.07Å |
| 386 | I | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | trans | -103.3 | 123.4 | 171.1 | -55.2 | 179.6 | 0 | 0 | 0 | 110.4 | L358 L361 K365 V371 A382 H388 I425 | L358-I386 HydrophobicContact CB-CD1 4.49Å; L358-I386 HydrophobicContact CB-CG1 4.13Å; L358-I386 HydrophobicContact CD2-CD1 3.92Å; L358-I386 HydrophobicContact CD2-CG1 4.48Å; L361-I386 HydrophobicContact CD2-CD1 4.12Å; K365-I386 HydrophobicContact CD-CG2 4.08Å; V371-I386 HydrophobicContact CG1-CD1 4.23Å; V371-I386 HydrophobicContact CG2-CD1 4.5Å; V371-I386 HydrophobicContact CG2-CG2 4.26Å; A382-I386 HydrophobicContact CB-CD1 4.15Å; A382-I386 VanDerWaalsContact O-CB 3.27Å; A382-I386 WeakPolarHBondContact O-CB 3.33Å; A382-I386 PolarHBondContact O-N 2.91Å; I386-H388 PolarHBondContact O-CD2 3.35Å; I386-H388 PolarHBondContact O-NE2 3.01Å; I386-I425 HydrophobicContact CD1-CD1 4.48Å; I386-I425 HydrophobicContact CD1-CG1 4.23Å | ||
| 387 | A | 96.9 | Very high | 98.2 | Very high | 47 Ų | 47 | 17.5 Ų | 17.5 | 39% | 0.388 | 9% | 0.092 | S | C | . | . | trans | -83.4 | 130.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | S362 K365 | S362-A387 PolarHBondContact OG-N 3.49Å; K365-A387 WeakPolarHBondContact CE-O 3.44Å; K365-A387 PolarHBondContact NZ-O 3.45Å | ||
| 388 | H | 97.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 5% | 0.051 | 10% | 0.103 | C | C | . | . | trans | -113.2 | 141.4 | 176.2 | -54.2 | -74.4 | 0 | 0 | 0 | 109.8 | G235 I386 N393 F394 | G235-H388 VanDerWaalsContact CA-O 3.28Å; G235-H388 WeakPolarHBondContact CA-O 3.38Å; I386-H388 PolarHBondContact O-CD2 3.35Å; I386-H388 PolarHBondContact O-NE2 3.01Å; H388-N393 HydrophobicContact CB-CB 4.5Å; H388-N393 PolarHBondContact ND1-O 3.48Å; H388-F394 AromaticContact CD2-CG 3.94Å; H388-F394 AromaticContact CE1-CD2 3.47Å; H388-F394 VanDerWaalsContact CE1-CD2 3.47Å; H388-F394 WeakPolarHBondContact CE1-CD2 3.46Å; H388-F394 AromaticContact CE1-CG 3.91Å; H388-F394 AromaticContact NE2-CD2 3.31Å; H388-F394 VanDerWaalsContact NE2-CD2 3.31Å; H388-F394 WeakPolarHBondContact NE2-CD2 3.29Å; H388-F394 AromaticContact NE2-CE2 3.95Å; H388-F394 AromaticContact NE2-CG 3.6Å | ||
| 389 | T | 96.4 | Very high | 98 | Very high | 51 Ų | 51 | 19.6 Ų | 19.6 | 31% | 0.313 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -93.2 | -14.3 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | R217 G235 A367 N393 | R217-T389 PolarHBondContact NH2-O 2.95Å; G235-T389 CarbonylContact O-C 3.57Å; A367-T389 HydrophobicContact CB-CG2 4.18Å; A367-T389 WeakPolarHBondContact O-CG2 3.38Å; A367-T389 PolarHBondContact O-OG1 3.04Å; T389-N393 PolarHBondContact OG1-ND2 3.08Å |
| 390 | R | 97.5 | Very high | 97.9 | Very high | 92 Ų | 92 | 22.5 Ų | 22.5 | 35% | 0.347 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -151.1 | 148.4 | -179.4 | -65.4 | -68.5 | -160.8 | -169.6 | 4.9 | 110.4 | G235 E392 N393 | G235-R390 WeakPolarHBondContact O-CA 3.45Å; R390-E392 VanDerWaalsContact C-N 3.3Å; R390-E392 VanDerWaalsContact CB-CD 3.44Å; R390-E392 HydrophobicContact CB-CG 4.02Å; R390-E392 WeakPolarHBondContact CB-OE1 3.29Å; R390-E392 WeakPolarHBondContact CG-OE1 3.2Å; R390-E392 PolarHBondContact O-N 3.42Å; R390-N393 WeakPolarHBondContact O-CB 3.27Å; R390-N393 PolarHBondContact O-N 3.25Å |
| 391 | P | 97.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 8% | 0.078 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -57.2 | -37.8 | 174.2 | -25.9 | 36.5 | 0 | 0 | 0 | 114.6 | V213 L234 A236 N393 F394 | V213-P391 HydrophobicContact CG2-CG 3.88Å; L234-P391 VanDerWaalsContact O-CA 3.26Å; L234-P391 WeakPolarHBondContact O-CA 3.5Å; A236-P391 HydrophobicContact CB-CG 3.96Å; P391-N393 PolarHBondContact O-N 2.88Å; P391-N393 VanDerWaalsContact O-N 3.17Å; P391-F394 PolarHBondContact O-N 2.92Å; P391-F394 VanDerWaalsContact O-N 3.1Å |
| 392 | E | 97.2 | Very high | 97.9 | Very high | 47 Ų | 47 | 23.2 Ų | 23.2 | 22% | 0.22 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -67 | -10.7 | 176.7 | 60.1 | -88.3 | -162.4 | 0 | 0 | 113.8 | R59 R390 F394 | R59-E392 VanDerWaalsContact O-CB 3.3Å; R59-E392 WeakPolarHBondContact O-CB 3.41Å; R390-E392 VanDerWaalsContact C-N 3.3Å; R390-E392 VanDerWaalsContact CB-CD 3.44Å; R390-E392 HydrophobicContact CB-CG 4.02Å; R390-E392 WeakPolarHBondContact CB-OE1 3.29Å; R390-E392 WeakPolarHBondContact CG-OE1 3.2Å; R390-E392 PolarHBondContact O-N 3.42Å; E392-F394 VanDerWaalsContact C-N 3.32Å |
| 393 | N | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -86.9 | -1 | 173.9 | -63.9 | -10.3 | 0 | 0 | 0 | 112.8 | A367 C369 V371 H388 T389 R390 P391 R417 | A367-N393 PolarHBondContact O-ND2 3.36Å; C369-N393 WeakPolarHBondContact O-CB 3.38Å; V371-N393 PolarHBondContact N-O 3.4Å; H388-N393 HydrophobicContact CB-CB 4.5Å; H388-N393 PolarHBondContact ND1-O 3.48Å; T389-N393 PolarHBondContact OG1-ND2 3.08Å; R390-N393 WeakPolarHBondContact O-CB 3.27Å; R390-N393 PolarHBondContact O-N 3.25Å; P391-N393 PolarHBondContact O-N 2.88Å; P391-N393 VanDerWaalsContact O-N 3.17Å; N393-R417 PolarHBondContact OD1-NH1 3.28Å |
| 394 | F | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 108.5 | 174.7 | -172.2 | -122.4 | 0 | 0 | 0 | 111.5 | R59 L231 L234 V371 T373 A383 H388 P391 E392 T396 | R59-F394 PolarHBondContact NH2-O 2.99Å; L231-F394 HydrophobicContact CD1-CE1 3.59Å; L231-F394 HydrophobicContact CD1-CZ 4.08Å; L231-F394 HydrophobicContact CG-CE1 4.11Å; L234-F394 HydrophobicContact CB-CD1 4.33Å; L234-F394 HydrophobicContact CD1-CD1 4.03Å; L234-F394 HydrophobicContact CD1-CE1 3.92Å; V371-F394 HydrophobicContact CB-CD2 4.31Å; V371-F394 HydrophobicContact CG1-CD2 4.32Å; V371-F394 HydrophobicContact CG1-CE2 4.45Å; V371-F394 WeakPolarHBondContact O-CA 3.21Å; T373-F394 HydrophobicContact CG2-CE2 3.62Å; T373-F394 HydrophobicContact CG2-CZ 4.17Å; A383-F394 HydrophobicContact CB-CE1 4.36Å; A383-F394 HydrophobicContact CB-CZ 4.07Å; H388-F394 AromaticContact CD2-CG 3.94Å; H388-F394 AromaticContact CE1-CD2 3.47Å; H388-F394 VanDerWaalsContact CE1-CD2 3.47Å; H388-F394 WeakPolarHBondContact CE1-CD2 3.46Å; H388-F394 AromaticContact CE1-CG 3.91Å; H388-F394 AromaticContact NE2-CD2 3.31Å; H388-F394 VanDerWaalsContact NE2-CD2 3.31Å; H388-F394 WeakPolarHBondContact NE2-CD2 3.29Å; H388-F394 AromaticContact NE2-CE2 3.95Å; H388-F394 AromaticContact NE2-CG 3.6Å; P391-F394 PolarHBondContact O-N 2.92Å; P391-F394 VanDerWaalsContact O-N 3.1Å; E392-F394 VanDerWaalsContact C-N 3.32Å; F394-T396 HydrophobicContact CD1-CG2 4.14Å; F394-T396 HydrophobicContact CE1-CG2 3.51Å; F394-T396 HydrophobicContact CZ-CG2 3.88Å |
| 395 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 99.9 | -173 | -52.3 | 179.8 | 0 | 0 | 0 | 109.6 | R59 A60 V370 V371 T372 T373 F405 A409 A413 | R59-I395 HydrophobicContact CB-CD1 3.85Å; R59-I395 HydrophobicContact CB-CG1 3.96Å; R59-I395 HydrophobicContact CB-CG2 3.97Å; R59-I395 HydrophobicContact CG-CG2 4.22Å; A60-I395 HydrophobicContact CB-CD1 3.96Å; V370-I395 HydrophobicContact CG1-CD1 3.59Å; V370-I395 HydrophobicContact CG1-CG1 3.97Å; V371-I395 PolarHBondContact O-N 3.06Å; T372-I395 CarbonylContact C-O 3.47Å; T372-I395 WeakPolarHBondContact CA-O 3.46Å; T372-I395 HydrophobicContact CG2-CB 4.04Å; T373-I395 PolarHBondContact N-O 3.26Å; T373-I395 VanDerWaalsContact N-O 3.09Å; I395-F405 HydrophobicContact CG2-CE1 3.97Å; I395-F405 HydrophobicContact CG2-CZ 3.95Å; I395-A409 HydrophobicContact CG2-CB 4.27Å; I395-A413 HydrophobicContact CD1-CB 3.88Å |
| 396 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.9 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | R59 L231 T373 Q379 F394 | R59-T396 PolarHBondContact NH1-O 3.38Å; R59-T396 VanDerWaalsContact NH1-O 3.13Å; L231-T396 HydrophobicContact CD2-CG2 4.04Å; L231-T396 HydrophobicContact CG-CG2 4.05Å; T373-T396 WeakPolarHBondContact OG1-CB 3.47Å; T373-T396 PolarHBondContact OG1-OG1 3.2Å; Q379-T396 PolarHBondContact NE2-OG1 3.3Å; F394-T396 HydrophobicContact CD1-CG2 4.14Å; F394-T396 HydrophobicContact CE1-CG2 3.51Å; F394-T396 HydrophobicContact CZ-CG2 3.88Å |
| 397 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -74.5 | 123.5 | 159.8 | 175 | 0 | 0 | 0 | 0 | 109.1 | D84 Q379 G401 T402 | D84-S397 WeakPolarHBondContact OD2-CB 3.43Å; D84-S397 PolarHBondContact OD2-OG 3.2Å; Q379-S397 PolarHBondContact NE2-O 2.91Å; S397-G401 PolarHBondContact OG-N 3Å; S397-G401 VanDerWaalsContact OG-N 3.16Å; S397-T402 PolarHBondContact OG-N 2.92Å | ||
| 398 | S | 96.4 | Very high | 98.1 | Very high | 36 Ų | 36 | 21.1 Ų | 21.1 | 25% | 0.252 | 12% | 0.121 | S | C | . | . | trans | -128.3 | -46 | -174.9 | 58.6 | 0 | 0 | 0 | 0 | 113 | D88 K232 | D88-S398 VanDerWaalsContact CG-OG 3.23Å; D88-S398 PolarHBondContact OD1-OG 3.29Å; D88-S398 PolarHBondContact OD2-N 3.14Å; D88-S398 PolarHBondContact OD2-OG 3.2Å; K232-S398 VanDerWaalsContact CD-OG 3.23Å; K232-S398 WeakPolarHBondContact CD-OG 3.33Å; K232-S398 VanDerWaalsContact CG-OG 3.22Å; K232-S398 WeakPolarHBondContact CG-OG 3.38Å | ||
| 399 | G | 97 | Very high | 98.2 | Very high | 22 Ų | 22 | 20.6 Ų | 20.6 | 23% | 0.227 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -67.3 | -47.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D88 | D88-G399 PolarHBondContact OD1-N 2.7Å; D88-G399 PolarHBondContact OD2-N 3.07Å |
| 400 | L | 98.1 | Very high | 98.3 | Very high | 74 Ų | 74 | 18.2 Ų | 18.2 | 39% | 0.387 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -88.6 | -32 | 177.6 | -168.4 | 55.7 | 0 | 0 | 0 | 112.7 | T80 A83 D84 L87 T402 | T80-L400 HydrophobicContact CG2-CD2 4.43Å; A83-L400 HydrophobicContact CB-CD2 3.72Å; D84-L400 HydrophobicContact CB-CB 4.45Å; D84-L400 HydrophobicContact CB-CD2 4.12Å; L87-L400 HydrophobicContact CD1-CB 3.85Å; L87-L400 HydrophobicContact CD1-CD1 3.78Å; L87-L400 HydrophobicContact CD1-CG 4.36Å; L400-T402 WeakPolarHBondContact CD2-OG1 3.42Å |
| 401 | G | 98.3 | Very high | 98.4 | Very high | 30 Ų | 30 | 13.8 Ų | 13.8 | 31% | 0.309 | 9% | 0.087 | S | C | . | . | trans | 69.4 | 48.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S397 M403 | S397-G401 PolarHBondContact OG-N 3Å; S397-G401 VanDerWaalsContact OG-N 3.16Å; G401-M403 PolarHBondContact O-N 3.38Å | ||
| 402 | T | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 13.2 Ų | 13.2 | 9% | 0.086 | 8% | 0.084 | C | C | . | . | trans | -80 | 113.8 | -175.6 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | M52 T80 D84 V375 S397 L400 F405 | M52-T402 HydrophobicContact CE-CG2 3.28Å; T80-T402 HydrophobicContact CG2-CG2 3.55Å; D84-T402 WeakPolarHBondContact OD2-CB 3.39Å; D84-T402 PolarHBondContact OD2-OG1 2.83Å; V375-T402 WeakPolarHBondContact CG2-O 3.36Å; S397-T402 PolarHBondContact OG-N 2.92Å; L400-T402 WeakPolarHBondContact CD2-OG1 3.42Å; T402-F405 WeakPolarHBondContact O-CB 3.24Å | ||
| 403 | M | 98.8 | Very high | 98.5 | Very high | 46 Ų | 46 | 11 Ų | 11 | 23% | 0.227 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 145.6 | 167.9 | -70.2 | 174.8 | 64.3 | 0 | 0 | 111.3 | V375 G401 F405 S430 M433 L458 | V375-M403 HydrophobicContact CB-CG 4.11Å; G401-M403 PolarHBondContact O-N 3.38Å; M403-F405 VanDerWaalsContact C-N 3.34Å; M403-S430 WeakPolarHBondContact CE-OG 3.47Å; M403-M433 HydrophobicContact CB-CE 3.91Å; M403-M433 HydrophobicContact CB-CG 4.39Å; M403-M433 HydrophobicContact CB-SD 3.37Å; M403-M433 WeakPolarHBondContact CB-SD 3.48Å; M403-M433 HydrophobicContact CE-CE 3.64Å; M403-M433 HydrophobicContact CE-SD 4.39Å; M403-M433 HydrophobicContact SD-CE 3.9Å; M403-L458 HydrophobicContact CE-CD2 3.65Å |
| 404 | G | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 6.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D374 P408 S430 N434 | D374-G404 WeakPolarHBondContact OD1-CA 3.42Å; D374-G404 PolarHBondContact OD1-N 3.49Å; G404-P408 WeakPolarHBondContact O-CD 3.3Å; G404-P408 WeakPolarHBondContact O-CG 3.37Å; G404-S430 WeakPolarHBondContact CA-O 3.38Å; G404-S430 PolarHBondContact N-O 3.15Å; G404-N434 WeakPolarHBondContact O-CB 3.27Å; G404-N434 PolarHBondContact O-ND2 3.2Å |
| 405 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -72.4 | -38.9 | 177.6 | 176.6 | -86.8 | 0 | 0 | 0 | 112.9 | M52 I55 T373 D374 I395 T402 M403 L407 P408 A409 | M52-F405 HydrophobicContact CE-CB 4.43Å; M52-F405 HydrophobicContact CG-CD2 4.24Å; M52-F405 HydrophobicContact SD-CB 4.48Å; I55-F405 HydrophobicContact CB-CE2 4.4Å; I55-F405 HydrophobicContact CD1-CE2 4.41Å; I55-F405 HydrophobicContact CG2-CE2 3.6Å; I55-F405 HydrophobicContact CG2-CZ 3.76Å; T373-F405 WeakPolarHBondContact O-CD1 3.25Å; D374-F405 PolarHBondContact OD1-N 3.07Å; I395-F405 HydrophobicContact CG2-CE1 3.97Å; I395-F405 HydrophobicContact CG2-CZ 3.95Å; T402-F405 WeakPolarHBondContact O-CB 3.24Å; M403-F405 VanDerWaalsContact C-N 3.34Å; F405-L407 PolarHBondContact O-N 3.39Å; F405-P408 WeakPolarHBondContact O-CD 3.4Å; F405-P408 WeakPolarHBondContact O-CG 3.48Å; F405-A409 HydrophobicContact CD1-CB 3.75Å; F405-A409 HydrophobicContact CE1-CB 3.35Å; F405-A409 HydrophobicContact CE2-CB 4.29Å; F405-A409 HydrophobicContact CG-CB 4.36Å; F405-A409 HydrophobicContact CZ-CB 3.67Å; F405-A409 WeakPolarHBondContact O-CB 3.39Å; F405-A409 PolarHBondContact O-N 2.93Å | ||
| 406 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.3 | -51.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T372 D374 A410 | T372-G406 PolarHBondContact OG1-O 2.87Å; D374-G406 PolarHBondContact OD1-N 3.42Å; D374-G406 PolarHBondContact OD2-N 3.39Å; G406-A410 WeakPolarHBondContact O-CB 3.33Å; G406-A410 PolarHBondContact O-N 3.26Å |
| 407 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.9 | -53.4 | -178.6 | -178.8 | 61.3 | 0 | 0 | 0 | 113.7 | F405 A409 A410 V411 F431 E437 L438 V441 L448 I450 | F405-L407 PolarHBondContact O-N 3.39Å; L407-A409 VanDerWaalsContact C-N 3.35Å; L407-A409 PolarHBondContact O-N 2.83Å; L407-A410 WeakPolarHBondContact O-CB 3.39Å; L407-A410 PolarHBondContact O-N 2.91Å; L407-V411 PolarHBondContact O-N 3.04Å; L407-F431 HydrophobicContact CD2-CE2 4.12Å; L407-E437 HydrophobicContact CD2-CB 3.98Å; L407-E437 HydrophobicContact CG-CB 4.13Å; L407-L438 HydrophobicContact CD1-CD2 4.18Å; L407-L438 HydrophobicContact CD2-CD2 3.82Å; L407-L438 HydrophobicContact CD2-CG 3.99Å; L407-V441 HydrophobicContact CD1-CG2 4.12Å; L407-L448 HydrophobicContact CD1-CD1 4.31Å; L407-I450 HydrophobicContact CD1-CD1 3.97Å |
| 408 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -36.3 | 176.9 | 21.6 | -30.9 | 0 | 0 | 0 | 112.9 | G49 M52 A53 G404 F405 A410 V411 G412 N434 E437 | G49-P408 WeakPolarHBondContact O-CB 3.05Å; M52-P408 HydrophobicContact CB-CB 3.66Å; M52-P408 HydrophobicContact CB-CG 3.57Å; M52-P408 HydrophobicContact CG-CG 4.26Å; M52-P408 HydrophobicContact SD-CG 3.67Å; A53-P408 WeakPolarHBondContact CA-O 3.48Å; A53-P408 WeakPolarHBondContact CB-O 3.35Å; G404-P408 WeakPolarHBondContact O-CD 3.3Å; G404-P408 WeakPolarHBondContact O-CG 3.37Å; F405-P408 WeakPolarHBondContact O-CD 3.4Å; F405-P408 WeakPolarHBondContact O-CG 3.48Å; P408-A410 VanDerWaalsContact C-N 3.28Å; P408-A410 PolarHBondContact O-N 3.36Å; P408-V411 WeakPolarHBondContact O-CB 3.02Å; P408-V411 PolarHBondContact O-N 3.3Å; P408-G412 PolarHBondContact O-N 3.49Å; P408-N434 HydrophobicContact CG-CB 4.32Å; P408-E437 HydrophobicContact CB-CG 4.29Å |
| 409 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | G56 T372 I395 F405 L407 G412 A413 | G56-A409 WeakPolarHBondContact CA-O 3.49Å; T372-A409 HydrophobicContact CG2-CB 4.37Å; I395-A409 HydrophobicContact CG2-CB 4.27Å; F405-A409 HydrophobicContact CD1-CB 3.75Å; F405-A409 HydrophobicContact CE1-CB 3.35Å; F405-A409 HydrophobicContact CE2-CB 4.29Å; F405-A409 HydrophobicContact CG-CB 4.36Å; F405-A409 HydrophobicContact CZ-CB 3.67Å; F405-A409 WeakPolarHBondContact O-CB 3.39Å; F405-A409 PolarHBondContact O-N 2.93Å; L407-A409 VanDerWaalsContact C-N 3.35Å; L407-A409 PolarHBondContact O-N 2.83Å; A409-G412 PolarHBondContact O-N 2.95Å; A409-A413 WeakPolarHBondContact O-CB 3.38Å; A409-A413 PolarHBondContact O-N 3.27Å |
| 410 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | T372 G406 L407 P408 G412 A413 Q414 V422 C424 L448 | T372-A410 HydrophobicContact CG2-CB 3.94Å; T372-A410 WeakPolarHBondContact OG1-CB 3.46Å; G406-A410 WeakPolarHBondContact O-CB 3.33Å; G406-A410 PolarHBondContact O-N 3.26Å; L407-A410 WeakPolarHBondContact O-CB 3.39Å; L407-A410 PolarHBondContact O-N 2.91Å; P408-A410 VanDerWaalsContact C-N 3.28Å; P408-A410 PolarHBondContact O-N 3.36Å; A410-G412 VanDerWaalsContact C-N 3.34Å; A410-G412 PolarHBondContact O-N 3.37Å; A410-A413 PolarHBondContact O-N 2.76Å; A410-Q414 WeakPolarHBondContact O-CB 3.36Å; A410-Q414 PolarHBondContact O-N 3.17Å; A410-V422 HydrophobicContact CB-CG1 3.99Å; A410-C424 HydrophobicContact CB-CB 4.03Å; A410-L448 HydrophobicContact CB-CD1 3.91Å; A410-L448 HydrophobicContact CB-CD2 3.95Å |
| 411 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55 | -50.9 | 173 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | L42 A53 L407 P408 A413 Q414 V415 T440 V441 L446 L448 | L42-V411 HydrophobicContact CD2-CG1 3.67Å; A53-V411 HydrophobicContact CB-CG1 4.34Å; L407-V411 PolarHBondContact O-N 3.04Å; P408-V411 WeakPolarHBondContact O-CB 3.02Å; P408-V411 PolarHBondContact O-N 3.3Å; V411-A413 PolarHBondContact O-N 3.22Å; V411-Q414 PolarHBondContact O-N 2.81Å; V411-V415 VanDerWaalsContact O-CG2 3.23Å; V411-V415 WeakPolarHBondContact O-CG2 3.33Å; V411-V415 PolarHBondContact O-N 2.85Å; V411-V415 VanDerWaalsContact O-N 3.12Å; V411-T440 HydrophobicContact CG1-CG2 3.91Å; V411-V441 HydrophobicContact CG2-CG2 3.73Å; V411-L446 HydrophobicContact CB-CD1 4.11Å; V411-L446 HydrophobicContact CG1-CD1 3.77Å; V411-L446 HydrophobicContact CG2-CD1 4.07Å; V411-L448 HydrophobicContact CG2-CD1 3.99Å |
| 412 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A53 P408 A409 A410 V415 A416 | A53-G412 WeakPolarHBondContact O-CA 3.25Å; P408-G412 PolarHBondContact O-N 3.49Å; A409-G412 PolarHBondContact O-N 2.95Å; A410-G412 VanDerWaalsContact C-N 3.34Å; A410-G412 PolarHBondContact O-N 3.37Å; G412-V415 PolarHBondContact O-N 3.07Å; G412-A416 WeakPolarHBondContact O-CB 3.41Å; G412-A416 PolarHBondContact O-N 3.33Å |
| 413 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | A60 V370 T372 I395 A409 A410 V411 A416 R417 V422 | A60-A413 HydrophobicContact CB-CB 4.01Å; V370-A413 HydrophobicContact CG1-CB 4.03Å; T372-A413 HydrophobicContact CG2-CB 4.45Å; I395-A413 HydrophobicContact CD1-CB 3.88Å; A409-A413 WeakPolarHBondContact O-CB 3.38Å; A409-A413 PolarHBondContact O-N 3.27Å; A410-A413 PolarHBondContact O-N 2.76Å; V411-A413 PolarHBondContact O-N 3.22Å; A413-A416 WeakPolarHBondContact O-CB 3.06Å; A413-A416 PolarHBondContact O-N 3.48Å; A413-R417 PolarHBondContact O-N 2.99Å; A413-V422 HydrophobicContact CB-CG1 4.23Å |
| 414 | Q | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.7 | -33.6 | 178.8 | -171.5 | 72.5 | 82.6 | 0 | 0 | 112.1 | A410 V411 A416 R417 P418 D420 V422 L446 P447 L448 | A410-Q414 WeakPolarHBondContact O-CB 3.36Å; A410-Q414 PolarHBondContact O-N 3.17Å; V411-Q414 PolarHBondContact O-N 2.81Å; Q414-A416 VanDerWaalsContact C-N 3.33Å; Q414-R417 PolarHBondContact NE2-O 3.47Å; Q414-R417 CarbonylContact O-C 3.59Å; Q414-R417 VanDerWaalsContact O-C 3.26Å; Q414-R417 PolarHBondContact O-N 3.34Å; Q414-P418 VanDerWaalsContact O-CA 3.29Å; Q414-P418 WeakPolarHBondContact O-CA 3.11Å; Q414-D420 PolarHBondContact NE2-O 2.69Å; Q414-V422 HydrophobicContact CB-CB 4.29Å; Q414-V422 HydrophobicContact CB-CG2 3.9Å; Q414-V422 HydrophobicContact CG-CG2 4.36Å; Q414-L446 HydrophobicContact CB-CD2 4.37Å; Q414-L446 HydrophobicContact CG-CB 4.14Å; Q414-L446 HydrophobicContact CG-CD2 4.01Å; Q414-P447 HydrophobicContact CG-CG 4.25Å; Q414-L448 HydrophobicContact CB-CD2 3.49Å; Q414-L448 VanDerWaalsContact CB-CD2 3.49Å; Q414-L448 HydrophobicContact CB-CG 4.48Å; Q414-L448 HydrophobicContact CG-CD2 3.88Å |
| 415 | V | 98.5 | Very high | 98.6 | Very high | 25 Ų | 25 | 18.9 Ų | 18.9 | 15% | 0.152 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 171.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | T18 F20 L42 Y57 V411 G412 L446 | T18-V415 HydrophobicContact CG2-CG1 3.9Å; F20-V415 HydrophobicContact CE1-CB 4.48Å; F20-V415 HydrophobicContact CE1-CG1 4.48Å; F20-V415 HydrophobicContact CE1-CG2 4.45Å; F20-V415 HydrophobicContact CZ-CB 4.46Å; F20-V415 HydrophobicContact CZ-CG1 4.28Å; L42-V415 HydrophobicContact CD2-CG2 3.8Å; Y57-V415 HydrophobicContact CD2-CG1 4.27Å; Y57-V415 HydrophobicContact CE2-CG1 4.37Å; V411-V415 VanDerWaalsContact O-CG2 3.23Å; V411-V415 WeakPolarHBondContact O-CG2 3.33Å; V411-V415 PolarHBondContact O-N 2.85Å; V411-V415 VanDerWaalsContact O-N 3.12Å; G412-V415 PolarHBondContact O-N 3.07Å; V415-L446 HydrophobicContact CG2-CD1 4.2Å; V415-L446 HydrophobicContact CG2-CD2 3.91Å |
| 416 | A | 98.1 | Very high | 98.6 | Very high | 21 Ų | 21 | 18.9 Ų | 18.9 | 17% | 0.174 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y57 A60 T61 G412 A413 Q414 P418 | Y57-A416 HydrophobicContact CD2-CB 3.63Å; Y57-A416 HydrophobicContact CE2-CB 3.95Å; Y57-A416 HydrophobicContact CG-CB 4.22Å; A60-A416 HydrophobicContact CB-CB 3.74Å; T61-A416 HydrophobicContact CG2-CB 3.33Å; G412-A416 WeakPolarHBondContact O-CB 3.41Å; G412-A416 PolarHBondContact O-N 3.33Å; A413-A416 WeakPolarHBondContact O-CB 3.06Å; A413-A416 PolarHBondContact O-N 3.48Å; Q414-A416 VanDerWaalsContact C-N 3.33Å; A416-P418 WeakPolarHBondContact O-CD 3.34Å |
| 417 | R | 97.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 19 Ų | 19 | 13% | 0.132 | 11% | 0.11 | C | C | . | . | trans | -128.3 | 72.3 | -172.5 | -62.8 | 178.2 | 64.6 | -179.9 | -5 | 110.1 | A60 D368 N393 A413 Q414 N419 D420 | A60-R417 HydrophobicContact CB-CG 4.38Å; D368-R417 PolarHBondContact O-NH2 2.86Å; N393-R417 PolarHBondContact OD1-NH1 3.28Å; A413-R417 PolarHBondContact O-N 2.99Å; Q414-R417 PolarHBondContact NE2-O 3.47Å; Q414-R417 CarbonylContact O-C 3.59Å; Q414-R417 VanDerWaalsContact O-C 3.26Å; Q414-R417 PolarHBondContact O-N 3.34Å; R417-N419 PolarHBondContact O-N 2.88Å; R417-D420 HydrophobicContact CB-CB 4.04Å; R417-D420 IonicContact CZ-OD2 2.9Å; R417-D420 IonicContact NE-OD2 2.58Å; R417-D420 PolarHBondContact NE-OD2 2.64Å; R417-D420 IonicContact NH2-OD2 2.88Å; R417-D420 PolarHBondContact NH2-OD2 3.34Å; R417-D420 PolarHBondContact O-N 3.06Å | ||
| 418 | P | 97.4 | Very high | 98.6 | Very high | 85 Ų | 85 | 19.1 Ų | 19.1 | 55% | 0.552 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21 | -169.2 | 25.9 | -35.9 | 0 | 0 | 0 | 114.4 | Q414 A416 | Q414-P418 VanDerWaalsContact O-CA 3.29Å; Q414-P418 WeakPolarHBondContact O-CA 3.11Å; A416-P418 WeakPolarHBondContact O-CD 3.34Å |
| 419 | N | 97 | Very high | 98.5 | Very high | 155 Ų | 155 | 19.7 Ų | 19.7 | 83% | 0.829 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -7.5 | -178.1 | -59.6 | -36.6 | 0 | 0 | 0 | 113.2 | R417 | R417-N419 PolarHBondContact O-N 2.88Š|
| 420 | D | 98.2 | Very high | 98.5 | Very high | 36 Ų | 36 | 19.9 Ų | 19.9 | 19% | 0.193 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -101.1 | 150.3 | -171.9 | -57.9 | 3.4 | 0 | 0 | 0 | 109.1 | Q414 R417 V422 | Q414-D420 PolarHBondContact NE2-O 2.69Å; R417-D420 HydrophobicContact CB-CB 4.04Å; R417-D420 IonicContact CZ-OD2 2.9Å; R417-D420 IonicContact NE-OD2 2.58Å; R417-D420 PolarHBondContact NE-OD2 2.64Å; R417-D420 IonicContact NH2-OD2 2.88Å; R417-D420 PolarHBondContact NH2-OD2 3.34Å; R417-D420 PolarHBondContact O-N 3.06Å; D420-V422 PolarHBondContact O-N 2.68Å |
| 421 | T | 98.6 | Very high | 98.5 | Very high | 34 Ų | 34 | 20 Ų | 20 | 21% | 0.209 | 12% | 0.118 | C | C | . | . | trans | -70.7 | 124.8 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | C369 V370 V423 K449 L512 | C369-T421 CarbonylContact C-O 3.49Å; C369-T421 VanDerWaalsContact CA-O 3.27Å; C369-T421 WeakPolarHBondContact CA-O 3.5Å; C369-T421 PolarHBondContact SG-O 3.41Å; C369-T421 VanDerWaalsContact SG-O 3.37Å; V370-T421 PolarHBondContact N-O 3.42Å; T421-V423 HydrophobicContact CG2-CG2 3.96Å; T421-K449 HydrophobicContact CG2-CG 4.29Å; T421-L512 HydrophobicContact CG2-CD2 4.21Å | ||
| 422 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121 | 171.7 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | V370 T372 A410 A413 Q414 D420 L448 K449 | V370-V422 HydrophobicContact CB-CG1 4.39Å; V370-V422 HydrophobicContact CB-CG2 4.14Å; V370-V422 CarbonylContact O-C 3.55Å; V370-V422 WeakPolarHBondContact O-CA 3.47Å; T372-V422 HydrophobicContact CG2-CG1 4.38Å; A410-V422 HydrophobicContact CB-CG1 3.99Å; A413-V422 HydrophobicContact CB-CG1 4.23Å; Q414-V422 HydrophobicContact CB-CB 4.29Å; Q414-V422 HydrophobicContact CB-CG2 3.9Å; Q414-V422 HydrophobicContact CG-CG2 4.36Å; D420-V422 PolarHBondContact O-N 2.68Å; V422-L448 HydrophobicContact CB-CD2 3.82Å; V422-L448 HydrophobicContact CG1-CD2 3.82Å; V422-K449 PolarHBondContact O-N 3.47Å |
| 423 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.9 | 178.4 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | L361 V370 V371 T372 T421 I425 K449 V451 | L361-V423 HydrophobicContact CD2-CG1 4.17Å; V370-V423 PolarHBondContact O-N 3.42Å; V371-V423 CarbonylContact C-O 3.21Å; V371-V423 VanDerWaalsContact CA-O 3.28Å; V371-V423 WeakPolarHBondContact CA-O 3.32Å; T372-V423 PolarHBondContact N-O 3.05Å; T421-V423 HydrophobicContact CG2-CG2 3.96Å; V423-I425 HydrophobicContact CG1-CD1 3.61Å; V423-I425 HydrophobicContact CG1-CG1 4.49Å; V423-K449 CarbonylContact C-O 3.45Å; V423-K449 VanDerWaalsContact CA-O 3.25Å; V423-K449 WeakPolarHBondContact CA-O 3.23Å; V423-K449 HydrophobicContact CB-CB 4.48Å; V423-K449 HydrophobicContact CG1-CB 4.39Å; V423-K449 HydrophobicContact CG2-CB 4.08Å; V423-V451 HydrophobicContact CG1-CG2 3.94Å |
| 424 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.4 | 169.6 | 179 | 0 | 0 | 0 | 0 | 109.5 | T372 A410 K449 I450 V451 | T372-C424 WeakPolarHBondContact O-CA 3.43Å; T372-C424 WeakPolarHBondContact OG1-CA 3.22Å; A410-C424 HydrophobicContact CB-CB 4.03Å; C424-K449 PolarHBondContact N-O 3.21Å; C424-I450 HydrophobicContact CB-CG1 4.45Å; C424-I450 WeakPolarHBondContact O-CA 3.3Å; C424-V451 PolarHBondContact O-N 3.39Å |
| 425 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.3 | 170.7 | -48 | -60.2 | 0 | 0 | 0 | 108.2 | L358 L361 V371 T372 T373 D374 H378 A382 I386 V423 V451 L453 | L358-I425 HydrophobicContact CD2-CD1 4Å; L358-I425 HydrophobicContact CD2-CG1 4.29Å; L358-I425 HydrophobicContact CD2-CG2 3.95Å; L361-I425 HydrophobicContact CD2-CD1 3.69Å; V371-I425 HydrophobicContact CG1-CG1 3.8Å; T372-I425 PolarHBondContact O-N 3.01Å; T373-I425 VanDerWaalsContact CA-O 3.27Å; T373-I425 WeakPolarHBondContact CA-O 3.2Å; T373-I425 HydrophobicContact CG2-CB 4.22Å; D374-I425 PolarHBondContact N-O 2.81Å; H378-I425 HydrophobicContact CB-CG2 4.36Å; H378-I425 PolarHBondContact CD2-O 2.91Å; A382-I425 HydrophobicContact CB-CG1 4.46Å; A382-I425 HydrophobicContact CB-CG2 4.39Å; I386-I425 HydrophobicContact CD1-CD1 4.48Å; I386-I425 HydrophobicContact CD1-CG1 4.23Å; V423-I425 HydrophobicContact CG1-CD1 3.61Å; V423-I425 HydrophobicContact CG1-CG1 4.49Å; I425-V451 HydrophobicContact CD1-CB 3.67Å; I425-V451 HydrophobicContact CD1-CG1 4.35Å; I425-V451 HydrophobicContact CD1-CG2 3.78Å; I425-L453 HydrophobicContact CG2-CD1 4.28Å |
| 426 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151.5 | -177.7 | -171.9 | 0 | 0 | 0 | 0 | 112 | D374 F431 V451 L452 L453 | D374-S426 PolarHBondContact OD2-OG 3.24Å; S426-F431 WeakPolarHBondContact OG-CB 3.46Å; S426-F431 PolarHBondContact OG-N 2.84Å; S426-V451 PolarHBondContact N-O 3.37Å; S426-L452 WeakPolarHBondContact O-CA 3.5Å; S426-L453 PolarHBondContact O-N 3.17Å |
| 427 | G | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 156.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H378 S430 F431 L453 | H378-G427 PolarHBondContact CD2-N 2.84Å; H378-G427 PolarHBondContact CE1-N 2.99Å; H378-G427 VanDerWaalsContact CG-N 3.35Å; H378-G427 WeakPolarHBondContact ND1-CA 3.5Å; H378-G427 PolarHBondContact ND1-N 3.41Å; H378-G427 PolarHBondContact NE2-N 3.43Å; G427-S430 PolarHBondContact O-N 3Å; G427-F431 VanDerWaalsContact O-CB 3.31Å; G427-F431 WeakPolarHBondContact O-CB 3.39Å; G427-F431 PolarHBondContact O-N 3.09Å; G427-L453 WeakPolarHBondContact CA-O 3.35Å |
| 428 | D | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.7 | -50.4 | 178.3 | 57.2 | -51.3 | 0 | 0 | 0 | 113.1 | S430 F431 M432 D454 N455 Q456 R457 L478 N481 F484 | D428-S430 VanDerWaalsContact C-N 3.34Å; D428-S430 PolarHBondContact O-N 3Å; D428-F431 PolarHBondContact O-N 2.83Å; D428-M432 PolarHBondContact O-N 2.93Å; D428-D454 HydrophobicContact CB-CB 4.25Å; D428-N455 PolarHBondContact OD1-OD1 2.95Å; D428-Q456 WeakPolarHBondContact OD2-CA 3.23Å; D428-Q456 PolarHBondContact OD2-N 3.11Å; D428-R457 PolarHBondContact OD2-N 2.99Å; D428-L478 WeakPolarHBondContact OD2-CD1 3.22Å; D428-N481 WeakPolarHBondContact CB-ND2 3.25Å; D428-N481 PolarHBondContact OD2-ND2 3.2Å; D428-F484 HydrophobicContact CB-CE2 4.13Å; D428-F484 HydrophobicContact CB-CZ 3.92Å |
| 429 | G | 98.4 | Very high | 98.6 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 12% | 0.124 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 430 | S | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -75 | -40.4 | 178.8 | -50.1 | 0 | 0 | 0 | 0 | 112.1 | D374 V375 M403 G404 G427 D428 M432 M433 | D374-S430 VanDerWaalsContact CG-CB 3.41Å; V375-S430 PolarHBondContact O-OG 2.86Å; M403-S430 WeakPolarHBondContact CE-OG 3.47Å; G404-S430 WeakPolarHBondContact CA-O 3.38Å; G404-S430 PolarHBondContact N-O 3.15Å; G427-S430 PolarHBondContact O-N 3Å; D428-S430 VanDerWaalsContact C-N 3.34Å; D428-S430 PolarHBondContact O-N 3Å; S430-M432 PolarHBondContact O-N 2.95Å; S430-M433 WeakPolarHBondContact O-CB 3.45Å; S430-M433 PolarHBondContact O-N 3.36Å |
| 431 | F | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.5 | -41.9 | -179.6 | -174.7 | -110.9 | 0 | 0 | 0 | 111.3 | L407 S426 G427 D428 M433 N434 V435 L438 I450 L452 F484 | L407-F431 HydrophobicContact CD2-CE2 4.12Å; S426-F431 WeakPolarHBondContact OG-CB 3.46Å; S426-F431 PolarHBondContact OG-N 2.84Å; G427-F431 VanDerWaalsContact O-CB 3.31Å; G427-F431 WeakPolarHBondContact O-CB 3.39Å; G427-F431 PolarHBondContact O-N 3.09Å; D428-F431 PolarHBondContact O-N 2.83Å; F431-M433 PolarHBondContact O-N 3.14Å; F431-N434 PolarHBondContact O-N 2.86Å; F431-V435 HydrophobicContact CD1-CG2 4.14Å; F431-V435 HydrophobicContact CE1-CG2 3.69Å; F431-V435 HydrophobicContact CZ-CG2 4.22Å; F431-V435 WeakPolarHBondContact O-CA 3.43Å; F431-V435 WeakPolarHBondContact O-CB 3.37Å; F431-V435 PolarHBondContact O-N 2.8Å; F431-V435 VanDerWaalsContact O-N 3.08Å; F431-L438 HydrophobicContact CE1-CD1 4.46Å; F431-L438 HydrophobicContact CE2-CD2 4.42Å; F431-L438 HydrophobicContact CZ-CD1 3.95Å; F431-L438 HydrophobicContact CZ-CD2 4.09Å; F431-L438 HydrophobicContact CZ-CG 4.29Å; F431-I450 HydrophobicContact CE2-CG2 3.97Å; F431-L452 HydrophobicContact CB-CD1 3.55Å; F431-L452 HydrophobicContact CD1-CD1 4.21Å; F431-L452 HydrophobicContact CD1-CD2 4.24Å; F431-L452 HydrophobicContact CD2-CD1 4.28Å; F431-L452 HydrophobicContact CG-CD1 3.78Å; F431-F484 AromaticContact CD1-CD1 3.9Å; F431-F484 HydrophobicContact CD1-CD1 3.9Å; F431-F484 AromaticContact CD1-CE1 3.87Å; F431-F484 HydrophobicContact CD1-CE1 3.87Å; F431-F484 HydrophobicContact CE1-CD1 4.03Å; F431-F484 HydrophobicContact CE1-CE1 4.44Å |
| 432 | M | 98.2 | Very high | 98.6 | Very high | 71 Ų | 71 | 19.1 Ų | 19.1 | 35% | 0.35 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.6 | 179.5 | -74 | -58.9 | -65.1 | 0 | 0 | 114.3 | D428 S430 V435 P482 F484 L487 | D428-M432 PolarHBondContact O-N 2.93Å; S430-M432 PolarHBondContact O-N 2.95Å; M432-V435 HydrophobicContact CE-CG1 4.41Å; M432-V435 HydrophobicContact SD-CB 4.42Å; M432-V435 HydrophobicContact SD-CG1 4.3Å; M432-V435 HydrophobicContact SD-CG2 4.48Å; M432-P482 HydrophobicContact CE-CG 3.95Å; M432-P482 HydrophobicContact SD-CG 3.73Å; M432-F484 HydrophobicContact CG-CE1 3.99Å; M432-F484 HydrophobicContact CG-CZ 4.4Å; M432-F484 HydrophobicContact SD-CE1 3.79Å; M432-L487 HydrophobicContact SD-CD1 4.4Å |
| 433 | M | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 26.2 Ų | 26.2 | 49% | 0.493 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -29 | -179.6 | -67.3 | -156.7 | 175.3 | 0 | 0 | 113.8 | M403 S430 F431 | M403-M433 HydrophobicContact CB-CE 3.91Å; M403-M433 HydrophobicContact CB-CG 4.39Å; M403-M433 HydrophobicContact CB-SD 3.37Å; M403-M433 WeakPolarHBondContact CB-SD 3.48Å; M403-M433 HydrophobicContact CE-CE 3.64Å; M403-M433 HydrophobicContact CE-SD 4.39Å; M403-M433 HydrophobicContact SD-CE 3.9Å; S430-M433 WeakPolarHBondContact O-CB 3.45Å; S430-M433 PolarHBondContact O-N 3.36Å; F431-M433 PolarHBondContact O-N 3.14Å |
| 434 | N | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -133.4 | 28.9 | 176.9 | -82.6 | -44.8 | 0 | 0 | 0 | 113.1 | Q48 M52 G404 P408 F431 Q436 E437 | Q48-N434 PolarHBondContact NE2-ND2 2.74Å; M52-N434 PolarHBondContact SD-ND2 2.94Å; G404-N434 WeakPolarHBondContact O-CB 3.27Å; G404-N434 PolarHBondContact O-ND2 3.2Å; P408-N434 HydrophobicContact CG-CB 4.32Å; F431-N434 PolarHBondContact O-N 2.86Å; N434-Q436 VanDerWaalsContact C-OE1 3.24Å; N434-Q436 PolarHBondContact O-N 3.27Å; N434-Q436 VanDerWaalsContact O-N 3.09Å; N434-Q436 PolarHBondContact OD1-NE2 3.49Å; N434-E437 HydrophobicContact CB-CG 4.39Å; N434-E437 WeakPolarHBondContact O-CB 3.46Å; N434-E437 PolarHBondContact O-N 3.22Å |
| 435 | V | 98.4 | Very high | 98.3 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 13% | 0.127 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -57.5 | -26.8 | -178.1 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | F431 M432 E437 L438 L487 | F431-V435 HydrophobicContact CD1-CG2 4.14Å; F431-V435 HydrophobicContact CE1-CG2 3.69Å; F431-V435 HydrophobicContact CZ-CG2 4.22Å; F431-V435 WeakPolarHBondContact O-CA 3.43Å; F431-V435 WeakPolarHBondContact O-CB 3.37Å; F431-V435 PolarHBondContact O-N 2.8Å; F431-V435 VanDerWaalsContact O-N 3.08Å; M432-V435 HydrophobicContact CE-CG1 4.41Å; M432-V435 HydrophobicContact SD-CB 4.42Å; M432-V435 HydrophobicContact SD-CG1 4.3Å; M432-V435 HydrophobicContact SD-CG2 4.48Å; V435-E437 PolarHBondContact O-N 3.3Å; V435-E437 VanDerWaalsContact O-N 3.1Å; V435-L438 HydrophobicContact CG2-CD1 3.97Å; V435-L438 WeakPolarHBondContact O-CB 3.26Å; V435-L438 VanDerWaalsContact O-CG 3.29Å; V435-L438 WeakPolarHBondContact O-CG 3.39Å; V435-L438 PolarHBondContact O-N 2.77Å; V435-L438 VanDerWaalsContact O-N 3.09Å; V435-L487 HydrophobicContact CG2-CD1 3.78Å; V435-L487 HydrophobicContact CG2-CD2 3.25Å; V435-L487 HydrophobicContact CG2-CG 4.15Å |
| 436 | Q | 98.4 | Very high | 98.2 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -57.6 | -24.5 | 174.4 | 69.2 | -77 | -3.8 | 0 | 0 | 112.9 | R45 N434 L438 G439 | R45-Q436 HydrophobicContact CB-CB 3.87Å; R45-Q436 HydrophobicContact CB-CG 3.51Å; R45-Q436 HydrophobicContact CG-CB 4.29Å; R45-Q436 HydrophobicContact CG-CG 4.42Å; R45-Q436 WeakPolarHBondContact CG-O 3.49Å; N434-Q436 VanDerWaalsContact C-OE1 3.24Å; N434-Q436 PolarHBondContact O-N 3.27Å; N434-Q436 VanDerWaalsContact O-N 3.09Å; N434-Q436 PolarHBondContact OD1-NE2 3.49Å; Q436-L438 PolarHBondContact O-N 2.95Å; Q436-L438 VanDerWaalsContact O-N 3.15Å; Q436-G439 PolarHBondContact O-N 3.28Å |
| 437 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -67.9 | -10.3 | 178.5 | -63.5 | -57.3 | 139.6 | 0 | 0 | 113.4 | R45 H46 L407 P408 N434 V435 G439 T440 V441 | R45-E437 WeakPolarHBondContact CA-OE1 3.26Å; R45-E437 WeakPolarHBondContact CB-OE1 3.21Å; R45-E437 PolarHBondContact N-OE1 3.08Å; R45-E437 PolarHBondContact N-OE2 2.69Å; H46-E437 PolarHBondContact N-OE1 2.77Å; L407-E437 HydrophobicContact CD2-CB 3.98Å; L407-E437 HydrophobicContact CG-CB 4.13Å; P408-E437 HydrophobicContact CB-CG 4.29Å; N434-E437 HydrophobicContact CB-CG 4.39Å; N434-E437 WeakPolarHBondContact O-CB 3.46Å; N434-E437 PolarHBondContact O-N 3.22Å; V435-E437 PolarHBondContact O-N 3.3Å; V435-E437 VanDerWaalsContact O-N 3.1Å; E437-G439 PolarHBondContact O-N 3.09Å; E437-T440 WeakPolarHBondContact O-CA 3.42Å; E437-T440 VanDerWaalsContact O-CB 3.24Å; E437-T440 WeakPolarHBondContact O-CB 3.39Å; E437-T440 PolarHBondContact O-N 3.46Å; E437-T440 VanDerWaalsContact OE2-CB 3.27Å; E437-T440 WeakPolarHBondContact OE2-CB 3.5Å; E437-T440 PolarHBondContact OE2-OG1 3.43Å; E437-V441 WeakPolarHBondContact O-CG2 3.24Å; E437-V441 PolarHBondContact O-N 3.01Å |
| 438 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.1 | -29.4 | 163.6 | -63.6 | 178.6 | 0 | 0 | 0 | 111.9 | L407 F431 V435 Q436 T440 V441 K442 I450 L487 F491 I493 | L407-L438 HydrophobicContact CD1-CD2 4.18Å; L407-L438 HydrophobicContact CD2-CD2 3.82Å; L407-L438 HydrophobicContact CD2-CG 3.99Å; F431-L438 HydrophobicContact CE1-CD1 4.46Å; F431-L438 HydrophobicContact CE2-CD2 4.42Å; F431-L438 HydrophobicContact CZ-CD1 3.95Å; F431-L438 HydrophobicContact CZ-CD2 4.09Å; F431-L438 HydrophobicContact CZ-CG 4.29Å; V435-L438 HydrophobicContact CG2-CD1 3.97Å; V435-L438 WeakPolarHBondContact O-CB 3.26Å; V435-L438 VanDerWaalsContact O-CG 3.29Å; V435-L438 WeakPolarHBondContact O-CG 3.39Å; V435-L438 PolarHBondContact O-N 2.77Å; V435-L438 VanDerWaalsContact O-N 3.09Å; Q436-L438 PolarHBondContact O-N 2.95Å; Q436-L438 VanDerWaalsContact O-N 3.15Å; L438-T440 VanDerWaalsContact C-N 3.3Å; L438-T440 PolarHBondContact O-N 3.37Å; L438-V441 PolarHBondContact O-N 3.48Å; L438-K442 PolarHBondContact O-N 2.74Å; L438-I450 HydrophobicContact CD2-CD1 3.69Å; L438-L487 HydrophobicContact CD1-CD2 3.29Å; L438-F491 HydrophobicContact CB-CB 4.02Å; L438-F491 HydrophobicContact CB-CD1 4.17Å; L438-F491 HydrophobicContact CB-CD2 3.52Å; L438-F491 HydrophobicContact CB-CE2 3.98Å; L438-F491 HydrophobicContact CB-CG 3.63Å; L438-F491 HydrophobicContact CB-CZ 4.47Å; L438-F491 HydrophobicContact CD1-CD2 3.73Å; L438-F491 HydrophobicContact CD1-CE2 4.14Å; L438-F491 HydrophobicContact CG-CD2 4.31Å; L438-I493 HydrophobicContact CB-CD1 4.08Å; L438-I493 HydrophobicContact CD2-CD1 3.69Å; L438-I493 HydrophobicContact CG-CD1 4.34Å |
| 439 | G | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -35.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q436 E437 R443 | Q436-G439 PolarHBondContact O-N 3.28Å; E437-G439 PolarHBondContact O-N 3.09Å; G439-R443 VanDerWaalsContact O-CB 3.31Å; G439-R443 WeakPolarHBondContact O-CB 3.33Å; G439-R443 PolarHBondContact O-N 2.89Å |
| 440 | T | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.4 | -43 | 175.1 | -53.1 | 0 | 0 | 0 | 0 | 111 | L42 C44 R45 V411 E437 L438 K442 R443 K444 | L42-T440 HydrophobicContact CD1-CG2 4.1Å; L42-T440 HydrophobicContact CD2-CG2 4.1Å; L42-T440 HydrophobicContact CG-CG2 4.03Å; C44-T440 WeakPolarHBondContact CA-OG1 3.3Å; R45-T440 PolarHBondContact N-OG1 3.47Å; V411-T440 HydrophobicContact CG1-CG2 3.91Å; E437-T440 WeakPolarHBondContact O-CA 3.42Å; E437-T440 VanDerWaalsContact O-CB 3.24Å; E437-T440 WeakPolarHBondContact O-CB 3.39Å; E437-T440 PolarHBondContact O-N 3.46Å; E437-T440 VanDerWaalsContact OE2-CB 3.27Å; E437-T440 WeakPolarHBondContact OE2-CB 3.5Å; E437-T440 PolarHBondContact OE2-OG1 3.43Å; L438-T440 VanDerWaalsContact C-N 3.3Å; L438-T440 PolarHBondContact O-N 3.37Å; T440-K442 PolarHBondContact O-N 2.96Å; T440-R443 PolarHBondContact O-N 3.14Å; T440-K444 PolarHBondContact O-N 3.18Å; T440-K444 VanDerWaalsContact O-N 3.13Å |
| 441 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55 | -50.9 | 173 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | L407 V411 E437 L438 Q445 L446 L448 I493 P517 | L407-V441 HydrophobicContact CD1-CG2 4.12Å; V411-V441 HydrophobicContact CG2-CG2 3.73Å; E437-V441 WeakPolarHBondContact O-CG2 3.24Å; E437-V441 PolarHBondContact O-N 3.01Å; L438-V441 PolarHBondContact O-N 3.48Å; V441-Q445 WeakPolarHBondContact O-CA 3.36Å; V441-Q445 PolarHBondContact O-N 3.45Å; V441-L446 HydrophobicContact CG1-CB 4.28Å; V441-L446 PolarHBondContact O-N 3.22Å; V441-L448 HydrophobicContact CG1-CB 4.48Å; V441-L448 HydrophobicContact CG1-CD1 4.3Å; V441-L448 HydrophobicContact CG1-CG 4.48Å; V441-L448 HydrophobicContact CG2-CD1 3.57Å; V441-I493 HydrophobicContact CB-CD1 4.44Å; V441-I493 HydrophobicContact CG1-CD1 4.16Å; V441-P517 HydrophobicContact CG1-CB 3.71Å; V441-P517 HydrophobicContact CG1-CG 4.11Å |
| 442 | K | 97.5 | Very high | 98.3 | Very high | 110 Ų | 110 | 39.4 Ų | 39.4 | 48% | 0.478 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 176.2 | 171.2 | 135.5 | 173.7 | -178.7 | 0 | 112.3 | L438 T440 K444 Q445 F491 | L438-K442 PolarHBondContact O-N 2.74Å; T440-K442 PolarHBondContact O-N 2.96Å; K442-K444 VanDerWaalsContact C-N 3.29Å; K442-K444 PolarHBondContact O-N 3.1Å; K442-Q445 PolarHBondContact O-N 3.02Å; K442-Q445 VanDerWaalsContact O-N 3.13Å; K442-F491 VanDerWaalsContact CD-C 3.49Å; K442-F491 WeakPolarHBondContact CD-O 3.26Å; K442-F491 PolarHBondContact NZ-O 3.45Å |
| 443 | R | 96.3 | Very high | 98.3 | Very high | 148 Ų | 148 | 36.2 Ų | 36.2 | 56% | 0.558 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -55.1 | -44.9 | -176.7 | 177.1 | -178.4 | 178.4 | 99 | -2.3 | 112 | G439 T440 | G439-R443 VanDerWaalsContact O-CB 3.31Å; G439-R443 WeakPolarHBondContact O-CB 3.33Å; G439-R443 PolarHBondContact O-N 2.89Å; T440-R443 PolarHBondContact O-N 3.14Å |
| 444 | K | 96.7 | Very high | 98.3 | Very high | 72 Ų | 72 | 32 Ų | 32 | 31% | 0.313 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -95.8 | 1.6 | -177.6 | -171.6 | 62.5 | 168.3 | 175.2 | 0 | 112.7 | E40 L42 T440 K442 L446 | E40-K444 IonicContact OE1-NZ 3.05Å; E40-K444 PolarHBondContact OE1-NZ 3.35Å; E40-K444 IonicContact OE2-NZ 3.72Å; E40-K444 PolarHBondContact OE2-NZ 3.34Å; L42-K444 HydrophobicContact CD1-CB 3.78Å; L42-K444 HydrophobicContact CD1-CD 4.35Å; L42-K444 HydrophobicContact CD1-CG 4.07Å; T440-K444 PolarHBondContact O-N 3.18Å; T440-K444 VanDerWaalsContact O-N 3.13Å; K442-K444 VanDerWaalsContact C-N 3.29Å; K442-K444 PolarHBondContact O-N 3.1Å; K444-L446 HydrophobicContact CB-CD1 4.34Å; K444-L446 HydrophobicContact CB-CD2 4.17Å; K444-L446 HydrophobicContact CB-CG 3.89Å; K444-L446 HydrophobicContact CG-CD1 4.45Å; K444-L446 HydrophobicContact CG-CD2 3.62Å; K444-L446 HydrophobicContact CG-CG 3.93Å; K444-L446 PolarHBondContact O-N 2.94Å |
| 445 | Q | 96.7 | Very high | 98.3 | Very high | 161 Ų | 161 | 32.3 Ų | 32.3 | 75% | 0.752 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 41.5 | -178.7 | -60.1 | 179.3 | -27 | 0 | 0 | 112.5 | V441 K442 | V441-Q445 WeakPolarHBondContact O-CA 3.36Å; V441-Q445 PolarHBondContact O-N 3.45Å; K442-Q445 PolarHBondContact O-N 3.02Å; K442-Q445 VanDerWaalsContact O-N 3.13Å |
| 446 | L | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | trans | -70.4 | 130.8 | -175.6 | -63.5 | 174.7 | 0 | 0 | 0 | 110.4 | V411 Q414 V415 V441 K444 L448 P517 | V411-L446 HydrophobicContact CB-CD1 4.11Å; V411-L446 HydrophobicContact CG1-CD1 3.77Å; V411-L446 HydrophobicContact CG2-CD1 4.07Å; Q414-L446 HydrophobicContact CB-CD2 4.37Å; Q414-L446 HydrophobicContact CG-CB 4.14Å; Q414-L446 HydrophobicContact CG-CD2 4.01Å; V415-L446 HydrophobicContact CG2-CD1 4.2Å; V415-L446 HydrophobicContact CG2-CD2 3.91Å; V441-L446 HydrophobicContact CG1-CB 4.28Å; V441-L446 PolarHBondContact O-N 3.22Å; K444-L446 HydrophobicContact CB-CD1 4.34Å; K444-L446 HydrophobicContact CB-CD2 4.17Å; K444-L446 HydrophobicContact CB-CG 3.89Å; K444-L446 HydrophobicContact CG-CD1 4.45Å; K444-L446 HydrophobicContact CG-CD2 3.62Å; K444-L446 HydrophobicContact CG-CG 3.93Å; K444-L446 PolarHBondContact O-N 2.94Å; L446-L448 HydrophobicContact CB-CG 4.04Å; L446-L448 PolarHBondContact O-N 3.36Å; L446-P517 WeakPolarHBondContact O-CB 3.33Å; L446-P517 WeakPolarHBondContact O-CD 3.41Å | ||
| 447 | P | 98.4 | Very high | 98.2 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 32% | 0.318 | 16% | 0.156 | S | C | . | . | trans | -78.4 | 40.6 | -176.7 | 33.4 | -37.7 | 0 | 0 | 0 | 114.1 | Q414 K449 G516 | Q414-P447 HydrophobicContact CG-CG 4.25Å; P447-K449 WeakPolarHBondContact O-CE 3.38Å; P447-G516 VanDerWaalsContact CA-C 3.45Å | ||
| 448 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -65.5 | 133.5 | -175.2 | -67.3 | -173.1 | 0 | 0 | 0 | 112.7 | L407 A410 V411 Q414 V422 V441 L446 P517 Y518 | L407-L448 HydrophobicContact CD1-CD1 4.31Å; A410-L448 HydrophobicContact CB-CD1 3.91Å; A410-L448 HydrophobicContact CB-CD2 3.95Å; V411-L448 HydrophobicContact CG2-CD1 3.99Å; Q414-L448 HydrophobicContact CB-CD2 3.49Å; Q414-L448 VanDerWaalsContact CB-CD2 3.49Å; Q414-L448 HydrophobicContact CB-CG 4.48Å; Q414-L448 HydrophobicContact CG-CD2 3.88Å; V422-L448 HydrophobicContact CB-CD2 3.82Å; V422-L448 HydrophobicContact CG1-CD2 3.82Å; V441-L448 HydrophobicContact CG1-CB 4.48Å; V441-L448 HydrophobicContact CG1-CD1 4.3Å; V441-L448 HydrophobicContact CG1-CG 4.48Å; V441-L448 HydrophobicContact CG2-CD1 3.57Å; L446-L448 HydrophobicContact CB-CG 4.04Å; L446-L448 PolarHBondContact O-N 3.36Å; L448-P517 CarbonylContact O-C 3.5Å; L448-P517 WeakPolarHBondContact O-CA 3.1Å; L448-Y518 PolarHBondContact O-N 3.46Å | ||
| 449 | K | 98.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125 | 170.7 | -47.2 | -48.5 | 178.7 | -172 | 0 | 108.4 | T421 V422 V423 C424 P447 M511 S514 G516 | T421-K449 HydrophobicContact CG2-CG 4.29Å; V422-K449 PolarHBondContact O-N 3.47Å; V423-K449 CarbonylContact C-O 3.45Å; V423-K449 VanDerWaalsContact CA-O 3.25Å; V423-K449 WeakPolarHBondContact CA-O 3.23Å; V423-K449 HydrophobicContact CB-CB 4.48Å; V423-K449 HydrophobicContact CG1-CB 4.39Å; V423-K449 HydrophobicContact CG2-CB 4.08Å; C424-K449 PolarHBondContact N-O 3.21Å; P447-K449 WeakPolarHBondContact O-CE 3.38Å; K449-M511 HydrophobicContact CB-CE 4.31Å; K449-M511 HydrophobicContact CB-CG 3.94Å; K449-M511 HydrophobicContact CB-SD 3.98Å; K449-M511 HydrophobicContact CD-CG 4.31Å; K449-M511 WeakPolarHBondContact CD-O 2.97Å; K449-M511 WeakPolarHBondContact CE-O 3.38Å; K449-M511 HydrophobicContact CG-CG 4.36Å; K449-S514 PolarHBondContact NZ-O 2.86Å; K449-S514 PolarHBondContact NZ-OG 3.18Å; K449-G516 PolarHBondContact NZ-O 3.13Å |
| 450 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.3 | -177.3 | -55 | 167.3 | 0 | 0 | 0 | 107.7 | L407 C424 F431 L438 Y518 L519 L520 | L407-I450 HydrophobicContact CD1-CD1 3.97Å; C424-I450 HydrophobicContact CB-CG1 4.45Å; C424-I450 WeakPolarHBondContact O-CA 3.3Å; F431-I450 HydrophobicContact CE2-CG2 3.97Å; L438-I450 HydrophobicContact CD2-CD1 3.69Å; I450-Y518 PolarHBondContact N-O 3.42Å; I450-L519 HydrophobicContact CB-CD1 3.77Å; I450-L519 HydrophobicContact CG2-CD1 3.5Å; I450-L519 VanDerWaalsContact CG2-CD1 3.5Å; I450-L520 PolarHBondContact O-N 3Å |
| 451 | V | 99 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 108.9 | 169.9 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | L357 L361 V423 C424 I425 S426 L453 M511 V522 | L357-V451 HydrophobicContact CD2-CG1 4.19Å; L361-V451 HydrophobicContact CD2-CG2 4.47Å; V423-V451 HydrophobicContact CG1-CG2 3.94Å; C424-V451 PolarHBondContact O-N 3.39Å; I425-V451 HydrophobicContact CD1-CB 3.67Å; I425-V451 HydrophobicContact CD1-CG1 4.35Å; I425-V451 HydrophobicContact CD1-CG2 3.78Å; S426-V451 PolarHBondContact N-O 3.37Å; V451-L453 HydrophobicContact CG1-CD2 4.02Å; V451-L453 HydrophobicContact CG1-CG 4.44Å; V451-M511 HydrophobicContact CG2-CE 3.63Å; V451-M511 HydrophobicContact CG2-SD 3.58Å; V451-M511 VanDerWaalsContact CG2-SD 3.58Å; V451-V522 HydrophobicContact CG1-CG2 4.07Å |
| 452 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 103.1 | 177.9 | -174.8 | 65.6 | 0 | 0 | 0 | 109.4 | S426 F431 D454 F484 L519 L520 V522 | S426-L452 WeakPolarHBondContact O-CA 3.5Å; F431-L452 HydrophobicContact CB-CD1 3.55Å; F431-L452 HydrophobicContact CD1-CD1 4.21Å; F431-L452 HydrophobicContact CD1-CD2 4.24Å; F431-L452 HydrophobicContact CD2-CD1 4.28Å; F431-L452 HydrophobicContact CG-CD1 3.78Å; L452-D454 PolarHBondContact O-N 3.45Å; L452-F484 HydrophobicContact CD2-CB 3.84Å; L452-F484 HydrophobicContact CD2-CD1 3.58Å; L452-F484 HydrophobicContact CD2-CD2 3.5Å; L452-F484 HydrophobicContact CD2-CE1 3.92Å; L452-F484 HydrophobicContact CD2-CE2 3.84Å; L452-F484 HydrophobicContact CD2-CG 3.35Å; L452-F484 HydrophobicContact CD2-CZ 4.05Å; L452-L519 HydrophobicContact CB-CD1 3.96Å; L452-L520 PolarHBondContact N-O 2.93Å; L452-V522 PolarHBondContact O-N 3.06Å |
| 453 | L | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 98.3 | 172.9 | -62.6 | -172.9 | 0 | 0 | 0 | 108.8 | A354 L357 L358 H378 W381 I425 S426 G427 V451 V522 I524 | A354-L453 HydrophobicContact CB-CD1 4.04Å; L357-L453 HydrophobicContact CD2-CD2 4.43Å; L358-L453 HydrophobicContact CD1-CD1 4.23Å; H378-L453 HydrophobicContact CB-CB 4.32Å; H378-L453 HydrophobicContact CB-CD1 3.77Å; H378-L453 HydrophobicContact CB-CG 4.45Å; W381-L453 HydrophobicContact CE3-CD1 4.43Å; I425-L453 HydrophobicContact CG2-CD1 4.28Å; S426-L453 PolarHBondContact O-N 3.17Å; G427-L453 WeakPolarHBondContact CA-O 3.35Å; V451-L453 HydrophobicContact CG1-CD2 4.02Å; V451-L453 HydrophobicContact CG1-CG 4.44Å; L453-V522 HydrophobicContact CD2-CB 3.92Å; L453-V522 HydrophobicContact CD2-CG1 4.04Å; L453-V522 HydrophobicContact CD2-CG2 4.27Å; L453-I524 HydrophobicContact CB-CD1 4.12Å; L453-I524 HydrophobicContact CD2-CG2 4.34Å |
| 454 | D | 98.6 | Very high | 98.1 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 109.6 | -177.1 | -179.8 | 10.1 | 0 | 0 | 0 | 110.2 | D428 L452 Q456 H521 V522 S523 I524 | D428-D454 HydrophobicContact CB-CB 4.25Å; L452-D454 PolarHBondContact O-N 3.45Å; D454-Q456 WeakPolarHBondContact OD1-CG 3.44Å; D454-Q456 PolarHBondContact OD1-N 3.05Å; D454-H521 WeakPolarHBondContact CB-NE2 3.32Å; D454-H521 IonicContact OD2-CD2 3.39Å; D454-H521 IonicContact OD2-CE1 3.35Å; D454-H521 IonicContact OD2-NE2 3.52Å; D454-H521 PolarHBondContact OD2-NE2 3.1Å; D454-V522 PolarHBondContact N-O 3.33Å; D454-S523 WeakPolarHBondContact O-CA 3.08Å; D454-I524 PolarHBondContact O-N 3.38Å |
| 455 | N | 98 | Very high | 98.1 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | trans | -112.3 | 10.5 | 173.7 | 72.2 | 1 | 0 | 0 | 0 | 111.8 | Q377 D428 R457 I524 E526 | Q377-N455 PolarHBondContact OE1-ND2 3.3Å; D428-N455 PolarHBondContact OD1-OD1 2.95Å; N455-R457 WeakPolarHBondContact O-CG 3.44Å; N455-R457 PolarHBondContact O-N 3.41Å; N455-R457 VanDerWaalsContact O-N 3.08Å; N455-R457 WeakPolarHBondContact OD1-CA 3.41Å; N455-R457 PolarHBondContact OD1-N 2.85Å; N455-R457 PolarHBondContact OD1-O 3.16Å; N455-I524 HydrophobicContact CB-CD1 3.97Å; N455-I524 HydrophobicContact CB-CG1 3.61Å; N455-E526 VanDerWaalsContact O-CB 3.23Å; N455-E526 WeakPolarHBondContact O-CB 3.25Å | ||
| 456 | Q | 97.9 | Very high | 98.1 | Very high | 77 Ų | 77 | 24.3 Ų | 24.3 | 36% | 0.36 | 12% | 0.123 | S | C | . | . | S | Bend | trans | 49.1 | 33.3 | -177.1 | -61.4 | 176.8 | 80.9 | 0 | 0 | 113.3 | D428 D454 L478 T479 | D428-Q456 WeakPolarHBondContact OD2-CA 3.23Å; D428-Q456 PolarHBondContact OD2-N 3.11Å; D454-Q456 WeakPolarHBondContact OD1-CG 3.44Å; D454-Q456 PolarHBondContact OD1-N 3.05Å; Q456-L478 PolarHBondContact O-N 3.41Å; Q456-T479 HydrophobicContact CB-CG2 4.46Å |
| 457 | R | 97.9 | Very high | 98 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -145.8 | 153.7 | -176.8 | -65.7 | -67.3 | -178.3 | -91.3 | 1.3 | 111.3 | D428 N455 G459 R462 T476 E526 | D428-R457 PolarHBondContact OD2-N 2.99Å; N455-R457 WeakPolarHBondContact O-CG 3.44Å; N455-R457 PolarHBondContact O-N 3.41Å; N455-R457 VanDerWaalsContact O-N 3.08Å; N455-R457 WeakPolarHBondContact OD1-CA 3.41Å; N455-R457 PolarHBondContact OD1-N 2.85Å; N455-R457 PolarHBondContact OD1-O 3.16Å; R457-G459 PolarHBondContact O-N 3.45Å; R457-R462 HydrophobicContact CG-CG 4.43Å; R457-T476 CarbonylContact C-O 3.29Å; R457-T476 WeakPolarHBondContact CA-O 3.27Å; R457-T476 VanDerWaalsContact CD-O 3.26Å; R457-T476 WeakPolarHBondContact CD-O 3.11Å; R457-E526 HydrophobicContact CG-CB 3.93Å; R457-E526 IonicContact CZ-OE1 3.51Å; R457-E526 IonicContact CZ-OE2 3.52Å; R457-E526 IonicContact NE-OE2 2.61Å; R457-E526 IonicContact NH1-OE2 3.9Å; R457-E526 PolarHBondContact NH1-OE2 3.39Å; R457-E526 IonicContact NH2-OE1 2.67Å; R457-E526 PolarHBondContact NH2-OE1 3.42Å; R457-E526 IonicContact NH2-OE2 3.1Å; R457-E526 PolarHBondContact NH2-OE2 2.94Å |
| 458 | L | 98.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 27.9 Ų | 27.9 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | trans | -73.2 | 72.8 | 153.4 | -67.1 | 179.1 | 0 | 0 | 0 | 109.1 | M403 M460 V461 R462 T476 L478 | M403-L458 HydrophobicContact CE-CD2 3.65Å; L458-M460 VanDerWaalsContact C-N 3.3Å; L458-M460 PolarHBondContact O-N 2.72Å; L458-M460 VanDerWaalsContact O-N 3.09Å; L458-V461 HydrophobicContact CB-CB 4.36Å; L458-V461 HydrophobicContact CB-CG2 4.48Å; L458-V461 PolarHBondContact O-N 3.39Å; L458-R462 PolarHBondContact O-N 3.07Å; L458-T476 HydrophobicContact CB-CG2 4.06Å; L458-T476 PolarHBondContact N-O 2.97Å; L458-L478 HydrophobicContact CD2-CD1 4.03Å; L458-L478 HydrophobicContact CG-CD1 4.17Å | ||
| 459 | G | 98.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51 | -41.7 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q377 R457 R462 Q463 | Q377-G459 PolarHBondContact NE2-O 3.35Å; Q377-G459 VanDerWaalsContact OE1-C 3.3Å; Q377-G459 VanDerWaalsContact OE1-CA 3.24Å; Q377-G459 PolarHBondContact OE1-O 3.32Å; R457-G459 PolarHBondContact O-N 3.45Å; G459-R462 PolarHBondContact O-N 3.49Å; G459-R462 PolarHBondContact O-NE 2.98Å; G459-R462 VanDerWaalsContact O-NE 3.16Å; G459-R462 PolarHBondContact O-NH2 2.97Å; G459-Q463 PolarHBondContact O-N 2.82Å |
| 460 | M | 98.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 20% | 0.197 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.2 | -45.8 | 179.6 | -178.2 | 58.9 | 73.7 | 0 | 0 | 111.4 | Q377 M380 L458 R462 Q463 W464 V530 | Q377-M460 HydrophobicContact CG-CB 4.15Å; Q377-M460 HydrophobicContact CG-CE 4.16Å; M380-M460 HydrophobicContact CG-CE 3.88Å; L458-M460 VanDerWaalsContact C-N 3.3Å; L458-M460 PolarHBondContact O-N 2.72Å; L458-M460 VanDerWaalsContact O-N 3.09Å; M460-R462 VanDerWaalsContact C-N 3.33Å; M460-R462 PolarHBondContact O-N 3.33Å; M460-Q463 WeakPolarHBondContact O-CB 3.05Å; M460-Q463 PolarHBondContact O-N 2.8Å; M460-W464 PolarHBondContact O-N 3.34Å; M460-V530 HydrophobicContact CE-CG2 4.32Å |
| 461 | V | 98.2 | Very high | 97.4 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | L458 Q463 W464 Q465 T476 | L458-V461 HydrophobicContact CB-CB 4.36Å; L458-V461 HydrophobicContact CB-CG2 4.48Å; L458-V461 PolarHBondContact O-N 3.39Å; V461-Q463 PolarHBondContact O-N 2.82Å; V461-W464 PolarHBondContact O-N 2.86Å; V461-Q465 WeakPolarHBondContact O-CG 2.94Å; V461-Q465 PolarHBondContact O-N 3.05Å; V461-T476 HydrophobicContact CB-CG2 3.73Å; V461-T476 HydrophobicContact CG1-CG2 3.53Å |
| 462 | R | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 175.7 | 172.4 | -73.7 | -38.2 | -156.2 | -11.7 | 112 | R457 L458 G459 M460 W464 Q465 Q466 Y473 E526 L527 E528 N529 | R457-R462 HydrophobicContact CG-CG 4.43Å; L458-R462 PolarHBondContact O-N 3.07Å; G459-R462 PolarHBondContact O-N 3.49Å; G459-R462 PolarHBondContact O-NE 2.98Å; G459-R462 VanDerWaalsContact O-NE 3.16Å; G459-R462 PolarHBondContact O-NH2 2.97Å; M460-R462 VanDerWaalsContact C-N 3.33Å; M460-R462 PolarHBondContact O-N 3.33Å; R462-W464 VanDerWaalsContact C-N 3.29Å; R462-W464 PolarHBondContact O-N 3.44Å; R462-Q465 PolarHBondContact O-N 3.35Å; R462-Q466 WeakPolarHBondContact O-CB 3.35Å; R462-Q466 PolarHBondContact O-N 3.26Å; R462-Y473 HydrophobicContact CG-CD1 3.85Å; R462-Y473 HydrophobicContact CG-CE1 3.96Å; R462-E526 PolarHBondContact NH1-O 3.4Å; R462-L527 VanDerWaalsContact NH1-CA 3.32Å; R462-L527 PolarHBondContact NH1-O 3.12Å; R462-L527 VanDerWaalsContact NH1-O 3.08Å; R462-E528 VanDerWaalsContact CZ-O 3.3Å; R462-E528 PolarHBondContact NH1-O 3.24Å; R462-E528 PolarHBondContact NH2-O 3.04Å; R462-N529 PolarHBondContact NH1-OD1 2.61Å |
| 463 | Q | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 174.4 | 172.9 | 170 | -6.8 | 0 | 0 | 111.1 | G459 M460 V461 Q466 L467 N529 V530 | G459-Q463 PolarHBondContact O-N 2.82Å; M460-Q463 WeakPolarHBondContact O-CB 3.05Å; M460-Q463 PolarHBondContact O-N 2.8Å; V461-Q463 PolarHBondContact O-N 2.82Å; Q463-Q466 WeakPolarHBondContact O-CB 3.3Å; Q463-Q466 PolarHBondContact O-N 3.17Å; Q463-L467 HydrophobicContact CG-CD1 3.9Å; Q463-L467 VanDerWaalsContact O-CG 3.31Å; Q463-L467 WeakPolarHBondContact O-CG 3.39Å; Q463-L467 PolarHBondContact O-N 3.19Å; Q463-N529 WeakPolarHBondContact CB-OD1 3.44Å; Q463-N529 HydrophobicContact CG-CB 4.13Å; Q463-N529 VanDerWaalsContact CG-OD1 3.26Å; Q463-N529 WeakPolarHBondContact CG-OD1 3.33Å; Q463-V530 PolarHBondContact NE2-O 3.01Å |
| 464 | W | 96.4 | Very high | 97.2 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 24% | 0.239 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68 | -40.3 | 177.6 | -78.2 | 61.4 | 0 | 0 | 0 | 112.4 | M250 M460 V461 R462 Q466 L467 F468 F469 P536 | M250-W464 HydrophobicContact CE-CZ2 4.29Å; M250-W464 HydrophobicContact SD-CZ2 4Å; M460-W464 PolarHBondContact O-N 3.34Å; V461-W464 PolarHBondContact O-N 2.86Å; R462-W464 VanDerWaalsContact C-N 3.29Å; R462-W464 PolarHBondContact O-N 3.44Å; W464-Q466 VanDerWaalsContact C-N 3.29Å; W464-Q466 PolarHBondContact O-N 3.4Å; W464-L467 PolarHBondContact O-N 3.29Å; W464-F468 HydrophobicContact CB-CD2 4.32Å; W464-F468 HydrophobicContact CD2-CD2 4.12Å; W464-F468 HydrophobicContact CD2-CE2 4.14Å; W464-F468 AromaticContact CE3-CD2 3.85Å; W464-F468 HydrophobicContact CE3-CD2 3.85Å; W464-F468 HydrophobicContact CE3-CE2 4.1Å; W464-F468 HydrophobicContact CG-CD2 4.35Å; W464-F468 HydrophobicContact CG-CE2 4.47Å; W464-F468 PolarHBondContact O-N 2.84Å; W464-F469 WeakPolarHBondContact O-CD2 3.28Å; W464-P536 HydrophobicContact CE3-CG 4.09Å; W464-P536 HydrophobicContact CH2-CB 4.28Å; W464-P536 HydrophobicContact CH2-CG 3.34Å; W464-P536 HydrophobicContact CZ2-CG 4.31Å; W464-P536 HydrophobicContact CZ3-CB 4.21Å; W464-P536 HydrophobicContact CZ3-CG 3.18Å |
| 465 | Q | 97.4 | Very high | 97.1 | Very high | 22 Ų | 22 | 70.5 Ų | 70.5 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 174.6 | -74.3 | 172 | -21.5 | 0 | 0 | 111.7 | V461 R462 F469 Q470 E471 Y473 S474 T476 | V461-Q465 WeakPolarHBondContact O-CG 2.94Å; V461-Q465 PolarHBondContact O-N 3.05Å; R462-Q465 PolarHBondContact O-N 3.35Å; Q465-F469 CarbonylContact O-C 3.51Å; Q465-F469 WeakPolarHBondContact O-CA 3.42Å; Q465-F469 PolarHBondContact O-N 2.77Å; Q465-F469 VanDerWaalsContact O-N 3.09Å; Q465-Q470 PolarHBondContact O-N 3.04Å; Q465-E471 PolarHBondContact O-N 3.01Å; Q465-E471 VanDerWaalsContact O-N 3.09Å; Q465-Y473 HydrophobicContact CB-CD1 4.16Å; Q465-S474 PolarHBondContact NE2-O 3.49Å; Q465-T476 PolarHBondContact OE1-OG1 3.33Å |
| 466 | Q | 96.3 | Very high | 97.1 | Very high | 49 Ų | 49 | 70.2 Ų | 70.2 | 23% | 0.229 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -55 | 174.7 | -171 | -178.9 | 9 | 0 | 0 | 111.3 | R462 Q463 W464 E471 Y473 N529 | R462-Q466 WeakPolarHBondContact O-CB 3.35Å; R462-Q466 PolarHBondContact O-N 3.26Å; Q463-Q466 WeakPolarHBondContact O-CB 3.3Å; Q463-Q466 PolarHBondContact O-N 3.17Å; W464-Q466 VanDerWaalsContact C-N 3.29Å; W464-Q466 PolarHBondContact O-N 3.4Å; Q466-E471 HydrophobicContact CG-CG 4.07Å; Q466-Y473 HydrophobicContact CB-CE1 4.06Å; Q466-N529 PolarHBondContact OE1-ND2 2.68Å |
| 467 | L | 94.8 | Very high | 97.1 | Very high | 61 Ų | 61 | 69.5 Ų | 69.5 | 32% | 0.319 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.2 | -34.8 | -169.9 | -64.9 | 175.5 | 0 | 0 | 0 | 113.9 | Q463 W464 W531 L533 | Q463-L467 HydrophobicContact CG-CD1 3.9Å; Q463-L467 VanDerWaalsContact O-CG 3.31Å; Q463-L467 WeakPolarHBondContact O-CG 3.39Å; Q463-L467 PolarHBondContact O-N 3.19Å; W464-L467 PolarHBondContact O-N 3.29Å; L467-W531 HydrophobicContact CD1-CH2 4.05Å; L467-W531 HydrophobicContact CD1-CZ3 4.48Å; L467-W531 HydrophobicContact CD2-CH2 4.04Å; L467-L533 HydrophobicContact CD1-CD2 3.51Å |
| 468 | F | 94.7 | Very high | 97.1 | Very high | 74 Ų | 74 | 69.5 Ų | 69.5 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -122.3 | -9.6 | -167.3 | -51.8 | -61.1 | 0 | 0 | 0 | 114.2 | W464 L533 P535 P536 | W464-F468 HydrophobicContact CB-CD2 4.32Å; W464-F468 HydrophobicContact CD2-CD2 4.12Å; W464-F468 HydrophobicContact CD2-CE2 4.14Å; W464-F468 AromaticContact CE3-CD2 3.85Å; W464-F468 HydrophobicContact CE3-CD2 3.85Å; W464-F468 HydrophobicContact CE3-CE2 4.1Å; W464-F468 HydrophobicContact CG-CD2 4.35Å; W464-F468 HydrophobicContact CG-CE2 4.47Å; W464-F468 PolarHBondContact O-N 2.84Å; F468-L533 HydrophobicContact CE2-CD2 4.25Å; F468-L533 HydrophobicContact CZ-CD2 4.06Å; F468-P535 HydrophobicContact CE1-CB 4.23Å; F468-P535 HydrophobicContact CZ-CB 4.13Å; F468-P536 HydrophobicContact CE2-CG 4.32Å; F468-P536 HydrophobicContact CZ-CG 4.48Å |
| 469 | F | 95.8 | Very high | 96.9 | Very high | 123 Ų | 123 | 71.3 Ų | 71.3 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 34.3 | -176.8 | -58 | -87.8 | 0 | 0 | 0 | 113.2 | W464 Q465 E471 R472 | W464-F469 WeakPolarHBondContact O-CD2 3.28Å; Q465-F469 CarbonylContact O-C 3.51Å; Q465-F469 WeakPolarHBondContact O-CA 3.42Å; Q465-F469 PolarHBondContact O-N 2.77Å; Q465-F469 VanDerWaalsContact O-N 3.09Å; F469-E471 VanDerWaalsContact C-N 3.26Å; F469-E471 PolarHBondContact O-N 2.68Å; F469-R472 VanDerWaalsContact O-CB 3.32Å; F469-R472 WeakPolarHBondContact O-CB 3.32Å; F469-R472 VanDerWaalsContact O-CG 3.31Å; F469-R472 WeakPolarHBondContact O-CG 3.21Å; F469-R472 PolarHBondContact O-N 2.8Å; F469-R472 VanDerWaalsContact O-N 3.14Å |
| 470 | Q | 96.4 | Very high | 96.8 | Very high | 169 Ų | 169 | 77.2 Ų | 77.2 | 79% | 0.79 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 38.6 | 171.7 | -55.6 | 173.1 | -17.1 | 0 | 0 | 113.2 | Q465 R472 | Q465-Q470 PolarHBondContact O-N 3.04Å; Q470-R472 PolarHBondContact O-N 3.17Å; Q470-R472 VanDerWaalsContact O-N 3.1Å |
| 471 | E | 96.3 | Very high | 96.8 | Very high | 115 Ų | 115 | 77 Ų | 77 | 54% | 0.537 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 25.1 | 178.1 | -48.8 | -171.7 | 157.1 | 0 | 0 | 113.8 | Q465 Q466 F469 Y473 | Q465-E471 PolarHBondContact O-N 3.01Å; Q465-E471 VanDerWaalsContact O-N 3.09Å; Q466-E471 HydrophobicContact CG-CG 4.07Å; F469-E471 VanDerWaalsContact C-N 3.26Å; F469-E471 PolarHBondContact O-N 2.68Å; E471-Y473 VanDerWaalsContact C-N 3.34Å; E471-Y473 HydrophobicContact CB-CE1 4.4Å; E471-Y473 HydrophobicContact CB-CE2 4.1Å; E471-Y473 WeakPolarHBondContact O-CD2 3.49Å; E471-Y473 WeakPolarHBondContact O-CE2 3.24Å; E471-Y473 PolarHBondContact O-N 3.21Å |
| 472 | R | 97.3 | Very high | 96.7 | Very high | 182 Ų | 182 | 75.9 Ų | 75.9 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | trans | -79.1 | 82.6 | 174.9 | -66.5 | 170.4 | 57.2 | 93.2 | 4.3 | 110.3 | F469 Q470 S474 | F469-R472 VanDerWaalsContact O-CB 3.32Å; F469-R472 WeakPolarHBondContact O-CB 3.32Å; F469-R472 VanDerWaalsContact O-CG 3.31Å; F469-R472 WeakPolarHBondContact O-CG 3.21Å; F469-R472 PolarHBondContact O-N 2.8Å; F469-R472 VanDerWaalsContact O-N 3.14Å; Q470-R472 PolarHBondContact O-N 3.17Å; Q470-R472 VanDerWaalsContact O-N 3.1Å; R472-S474 PolarHBondContact O-N 2.85Å | ||
| 473 | Y | 96.8 | Very high | 96.7 | Very high | 82 Ų | 82 | 80 Ų | 80 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | trans | -71.1 | 87.5 | -179.3 | -51.7 | -55.2 | 0 | 0 | 0 | 112.2 | R462 Q465 Q466 E471 | R462-Y473 HydrophobicContact CG-CD1 3.85Å; R462-Y473 HydrophobicContact CG-CE1 3.96Å; Q465-Y473 HydrophobicContact CB-CD1 4.16Å; Q466-Y473 HydrophobicContact CB-CE1 4.06Å; E471-Y473 VanDerWaalsContact C-N 3.34Å; E471-Y473 HydrophobicContact CB-CE1 4.4Å; E471-Y473 HydrophobicContact CB-CE2 4.1Å; E471-Y473 WeakPolarHBondContact O-CD2 3.49Å; E471-Y473 WeakPolarHBondContact O-CE2 3.24Å; E471-Y473 PolarHBondContact O-N 3.21Å | ||
| 474 | S | 97.5 | Very high | 96.8 | Very high | 75 Ų | 75 | 80.1 Ų | 80.1 | 52% | 0.524 | 39% | 0.392 | S | S | . | . | trans | -101.1 | 119.7 | -176.8 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | Q465 R472 T476 | Q465-S474 PolarHBondContact NE2-O 3.49Å; R472-S474 PolarHBondContact O-N 2.85Å; S474-T476 WeakPolarHBondContact O-CG2 3.28Å; S474-T476 PolarHBondContact O-N 3.12Å; S474-T476 VanDerWaalsContact O-N 3.15Å | ||
| 475 | E | 97.4 | Very high | 96.9 | Very high | 175 Ų | 175 | 79.4 Ų | 79.4 | 82% | 0.818 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 52.9 | 33.1 | 175.2 | -53 | -57.5 | 153 | 0 | 0 | 114.1 | ||
| 476 | T | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 84.6 Ų | 84.6 | 1% | 0.012 | 42% | 0.419 | C | S | . | . | trans | -118.7 | 2.4 | 178.5 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | R457 L458 V461 Q465 S474 | R457-T476 CarbonylContact C-O 3.29Å; R457-T476 WeakPolarHBondContact CA-O 3.27Å; R457-T476 VanDerWaalsContact CD-O 3.26Å; R457-T476 WeakPolarHBondContact CD-O 3.11Å; L458-T476 HydrophobicContact CB-CG2 4.06Å; L458-T476 PolarHBondContact N-O 2.97Å; V461-T476 HydrophobicContact CB-CG2 3.73Å; V461-T476 HydrophobicContact CG1-CG2 3.53Å; Q465-T476 PolarHBondContact OE1-OG1 3.33Å; S474-T476 WeakPolarHBondContact O-CG2 3.28Å; S474-T476 PolarHBondContact O-N 3.12Å; S474-T476 VanDerWaalsContact O-N 3.15Å | ||
| 477 | T | 97.5 | Very high | 97 | Very high | 62 Ų | 62 | 83.9 Ų | 83.9 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -92.3 | 125.3 | 178.8 | -66.2 | 0 | 0 | 0 | 0 | 110.1 | T479 | T477-T479 HydrophobicContact CG2-CG2 3.87Å |
| 478 | L | 97.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 81 Ų | 81 | 16% | 0.162 | 40% | 0.401 | C | S | . | . | trans | -121.2 | 35.6 | -178.1 | -56.1 | 177.4 | 0 | 0 | 0 | 111.5 | D428 Q456 L458 D480 N481 | D428-L478 WeakPolarHBondContact OD2-CD1 3.22Å; Q456-L478 PolarHBondContact O-N 3.41Å; L458-L478 HydrophobicContact CD2-CD1 4.03Å; L458-L478 HydrophobicContact CG-CD1 4.17Å; L478-D480 WeakPolarHBondContact CA-OD1 3.37Å; L478-D480 PolarHBondContact O-N 3.24Å; L478-N481 WeakPolarHBondContact O-CB 3.36Å; L478-N481 PolarHBondContact O-N 2.87Å; L478-N481 PolarHBondContact O-ND2 3.38Å; L478-N481 VanDerWaalsContact O-ND2 3.16Å | ||
| 479 | T | 94.6 | Very high | 97.3 | Very high | 88 Ų | 88 | 81.4 Ų | 81.4 | 54% | 0.54 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.9 | 177.8 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | Q456 T477 | Q456-T479 HydrophobicContact CB-CG2 4.46Å; T477-T479 HydrophobicContact CG2-CG2 3.87Å |
| 480 | D | 96.1 | Very high | 97.4 | Very high | 130 Ų | 130 | 79.3 Ų | 79.3 | 70% | 0.695 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 8.5 | 174.5 | 62.3 | -40.7 | 0 | 0 | 0 | 113.4 | L478 | L478-D480 WeakPolarHBondContact CA-OD1 3.37Å; L478-D480 PolarHBondContact O-N 3.24Å |
| 481 | N | 97.7 | Very high | 97.5 | Very high | 36 Ų | 36 | 74.1 Ų | 74.1 | 19% | 0.193 | 39% | 0.394 | C | S | . | . | trans | -50.2 | 143.7 | 171.3 | -82.6 | -27.6 | 0 | 0 | 0 | 111.9 | D428 L478 F484 | D428-N481 WeakPolarHBondContact CB-ND2 3.25Å; D428-N481 PolarHBondContact OD2-ND2 3.2Å; L478-N481 WeakPolarHBondContact O-CB 3.36Å; L478-N481 PolarHBondContact O-N 2.87Å; L478-N481 PolarHBondContact O-ND2 3.38Å; L478-N481 VanDerWaalsContact O-ND2 3.16Å; N481-F484 HydrophobicContact CB-CE2 3.91Å; N481-F484 HydrophobicContact CB-CZ 3.93Å | ||
| 482 | P | 97.3 | Very high | 97.5 | Very high | 52 Ų | 52 | 71 Ų | 71 | 34% | 0.338 | 39% | 0.392 | S | S | . | . | trans | -71.8 | 168.3 | 177.6 | 32.9 | -36.2 | 0 | 0 | 0 | 111.5 | M432 F484 L487 | M432-P482 HydrophobicContact CE-CG 3.95Å; M432-P482 HydrophobicContact SD-CG 3.73Å; P482-F484 HydrophobicContact CG-CD1 4.34Å; P482-F484 HydrophobicContact CG-CE1 4.11Å; P482-F484 PolarHBondContact O-N 3.25Å; P482-L487 HydrophobicContact CG-CD1 4.2Å | ||
| 483 | D | 98.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | trans | -66.3 | 102.5 | 163.5 | -177.8 | -25.2 | 0 | 0 | 0 | 109.3 | L485 M486 L487 | D483-L485 VanDerWaalsContact C-N 3.27Å; D483-L485 PolarHBondContact O-N 3.33Å; D483-L485 WeakPolarHBondContact OD1-CA 3.17Å; D483-L485 WeakPolarHBondContact OD1-CB 3.34Å; D483-L485 PolarHBondContact OD1-N 3.35Å; D483-M486 HydrophobicContact CB-CB 3.85Å; D483-M486 PolarHBondContact O-N 2.92Å; D483-M486 PolarHBondContact OD1-N 3.09Å; D483-L487 WeakPolarHBondContact O-CB 3.45Å; D483-L487 PolarHBondContact O-N 3.34Å | ||
| 484 | F | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.1 | -28.9 | -178.2 | -67.4 | -68 | 0 | 0 | 0 | 113.1 | D428 F431 M432 L452 N481 P482 A488 L519 H521 | D428-F484 HydrophobicContact CB-CE2 4.13Å; D428-F484 HydrophobicContact CB-CZ 3.92Å; F431-F484 AromaticContact CD1-CD1 3.9Å; F431-F484 HydrophobicContact CD1-CD1 3.9Å; F431-F484 AromaticContact CD1-CE1 3.87Å; F431-F484 HydrophobicContact CD1-CE1 3.87Å; F431-F484 HydrophobicContact CE1-CD1 4.03Å; F431-F484 HydrophobicContact CE1-CE1 4.44Å; M432-F484 HydrophobicContact CG-CE1 3.99Å; M432-F484 HydrophobicContact CG-CZ 4.4Å; M432-F484 HydrophobicContact SD-CE1 3.79Å; L452-F484 HydrophobicContact CD2-CB 3.84Å; L452-F484 HydrophobicContact CD2-CD1 3.58Å; L452-F484 HydrophobicContact CD2-CD2 3.5Å; L452-F484 HydrophobicContact CD2-CE1 3.92Å; L452-F484 HydrophobicContact CD2-CE2 3.84Å; L452-F484 HydrophobicContact CD2-CG 3.35Å; L452-F484 HydrophobicContact CD2-CZ 4.05Å; N481-F484 HydrophobicContact CB-CE2 3.91Å; N481-F484 HydrophobicContact CB-CZ 3.93Å; P482-F484 HydrophobicContact CG-CD1 4.34Å; P482-F484 HydrophobicContact CG-CE1 4.11Å; P482-F484 PolarHBondContact O-N 3.25Å; F484-A488 WeakPolarHBondContact O-CB 3.21Å; F484-A488 PolarHBondContact O-N 2.89Å; F484-L519 HydrophobicContact CB-CD2 4.13Å; F484-L519 WeakPolarHBondContact O-CD2 3.48Å; F484-H521 AromaticContact CD2-CE1 3.88Å; F484-H521 AromaticContact CD2-NE2 3.69Å |
| 485 | L | 98.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.9 | -41.8 | 175.4 | -65.6 | -172.7 | 0 | 0 | 0 | 111 | D483 L487 A488 S489 H497 L519 H521 | D483-L485 VanDerWaalsContact C-N 3.27Å; D483-L485 PolarHBondContact O-N 3.33Å; D483-L485 WeakPolarHBondContact OD1-CA 3.17Å; D483-L485 WeakPolarHBondContact OD1-CB 3.34Å; D483-L485 PolarHBondContact OD1-N 3.35Å; L485-L487 VanDerWaalsContact C-N 3.29Å; L485-L487 PolarHBondContact O-N 2.93Å; L485-A488 PolarHBondContact O-N 3.34Å; L485-S489 WeakPolarHBondContact O-CB 3.48Å; L485-S489 PolarHBondContact O-N 3.22Å; L485-H497 HydrophobicContact CD1-CB 3.77Å; L485-H497 HydrophobicContact CG-CB 4.4Å; L485-L519 HydrophobicContact CD2-CD2 4.32Å; L485-H521 HydrophobicContact CD2-CB 4.28Å |
| 486 | M | 98.4 | Very high | 97.7 | Very high | 130 Ų | 130 | 54.5 Ų | 54.5 | 64% | 0.64 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.9 | -43.4 | 173.1 | -174.6 | 179.6 | -63.4 | 0 | 0 | 110.8 | D483 S489 A490 | D483-M486 HydrophobicContact CB-CB 3.85Å; D483-M486 PolarHBondContact O-N 2.92Å; D483-M486 PolarHBondContact OD1-N 3.09Å; M486-S489 PolarHBondContact O-N 3.06Å; M486-A490 PolarHBondContact O-N 3.29Å |
| 487 | L | 97.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.9 | -171 | 151.1 | 0 | 0 | 0 | 111.1 | M432 V435 L438 P482 D483 L485 S489 A490 F491 | M432-L487 HydrophobicContact SD-CD1 4.4Å; V435-L487 HydrophobicContact CG2-CD1 3.78Å; V435-L487 HydrophobicContact CG2-CD2 3.25Å; V435-L487 HydrophobicContact CG2-CG 4.15Å; L438-L487 HydrophobicContact CD1-CD2 3.29Å; P482-L487 HydrophobicContact CG-CD1 4.2Å; D483-L487 WeakPolarHBondContact O-CB 3.45Å; D483-L487 PolarHBondContact O-N 3.34Å; L485-L487 VanDerWaalsContact C-N 3.29Å; L485-L487 PolarHBondContact O-N 2.93Å; L487-S489 VanDerWaalsContact C-N 3.33Å; L487-S489 PolarHBondContact O-N 2.92Å; L487-A490 WeakPolarHBondContact O-CB 3.38Å; L487-A490 PolarHBondContact O-N 3.21Å; L487-F491 HydrophobicContact CD2-CD2 4.31Å; L487-F491 HydrophobicContact CD2-CE2 4.12Å; L487-F491 VanDerWaalsContact O-CD2 3.24Å; L487-F491 WeakPolarHBondContact O-CD2 3.44Å |
| 488 | A | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F484 L485 A490 F491 G492 I493 L519 | F484-A488 WeakPolarHBondContact O-CB 3.21Å; F484-A488 PolarHBondContact O-N 2.89Å; L485-A488 PolarHBondContact O-N 3.34Å; A488-A490 VanDerWaalsContact C-N 3.28Å; A488-A490 PolarHBondContact O-N 3.41Å; A488-F491 CarbonylContact O-C 3.45Å; A488-F491 VanDerWaalsContact O-C 3.25Å; A488-F491 WeakPolarHBondContact O-CA 3.2Å; A488-F491 PolarHBondContact O-N 3.17Å; A488-G492 PolarHBondContact O-N 2.94Å; A488-G492 VanDerWaalsContact O-N 3.17Å; A488-I493 CarbonylContact C-O 3.57Å; A488-I493 HydrophobicContact CB-CB 4.13Å; A488-I493 HydrophobicContact CB-CG2 4.35Å; A488-I493 PolarHBondContact O-N 2.85Å; A488-L519 HydrophobicContact CB-CB 4.17Å; A488-L519 HydrophobicContact CB-CD2 3.62Å |
| 489 | S | 98.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 56.8 Ų | 56.8 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.7 | -32 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | L485 M486 L487 F491 G492 | L485-S489 WeakPolarHBondContact O-CB 3.48Å; L485-S489 PolarHBondContact O-N 3.22Å; M486-S489 PolarHBondContact O-N 3.06Å; L487-S489 VanDerWaalsContact C-N 3.33Å; L487-S489 PolarHBondContact O-N 2.92Å; S489-F491 PolarHBondContact O-N 3.43Å; S489-G492 WeakPolarHBondContact O-CA 3.46Å; S489-G492 PolarHBondContact O-N 3.02Å |
| 490 | A | 97.9 | Very high | 98.1 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 65% | 0.653 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.6 | -32 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | M486 L487 A488 G492 | M486-A490 PolarHBondContact O-N 3.29Å; L487-A490 WeakPolarHBondContact O-CB 3.38Å; L487-A490 PolarHBondContact O-N 3.21Å; A488-A490 VanDerWaalsContact C-N 3.28Å; A488-A490 PolarHBondContact O-N 3.41Å; A490-G492 VanDerWaalsContact C-N 3.32Å |
| 491 | F | 97.7 | Very high | 98.1 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 16.2 | 169.8 | -59.2 | -78 | 0 | 0 | 0 | 113 | L438 K442 L487 A488 S489 I493 | L438-F491 HydrophobicContact CB-CB 4.02Å; L438-F491 HydrophobicContact CB-CD1 4.17Å; L438-F491 HydrophobicContact CB-CD2 3.52Å; L438-F491 HydrophobicContact CB-CE2 3.98Å; L438-F491 HydrophobicContact CB-CG 3.63Å; L438-F491 HydrophobicContact CB-CZ 4.47Å; L438-F491 HydrophobicContact CD1-CD2 3.73Å; L438-F491 HydrophobicContact CD1-CE2 4.14Å; L438-F491 HydrophobicContact CG-CD2 4.31Å; K442-F491 VanDerWaalsContact CD-C 3.49Å; K442-F491 WeakPolarHBondContact CD-O 3.26Å; K442-F491 PolarHBondContact NZ-O 3.45Å; L487-F491 HydrophobicContact CD2-CD2 4.31Å; L487-F491 HydrophobicContact CD2-CE2 4.12Å; L487-F491 VanDerWaalsContact O-CD2 3.24Å; L487-F491 WeakPolarHBondContact O-CD2 3.44Å; A488-F491 CarbonylContact O-C 3.45Å; A488-F491 VanDerWaalsContact O-C 3.25Å; A488-F491 WeakPolarHBondContact O-CA 3.2Å; A488-F491 PolarHBondContact O-N 3.17Å; S489-F491 PolarHBondContact O-N 3.43Å; F491-I493 HydrophobicContact CB-CD1 4.13Å; F491-I493 HydrophobicContact CB-CG1 4.34Å; F491-I493 PolarHBondContact O-N 3.18Å |
| 492 | G | 97.1 | Very high | 98.1 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 27.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A488 S489 A490 | A488-G492 PolarHBondContact O-N 2.94Å; A488-G492 VanDerWaalsContact O-N 3.17Å; S489-G492 WeakPolarHBondContact O-CA 3.46Å; S489-G492 PolarHBondContact O-N 3.02Å; A490-G492 VanDerWaalsContact C-N 3.32Å |
| 493 | I | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -97.2 | 115.3 | 176.5 | -63.3 | 170.2 | 0 | 0 | 0 | 106.9 | L438 V441 A488 F491 P517 L519 | L438-I493 HydrophobicContact CB-CD1 4.08Å; L438-I493 HydrophobicContact CD2-CD1 3.69Å; L438-I493 HydrophobicContact CG-CD1 4.34Å; V441-I493 HydrophobicContact CB-CD1 4.44Å; V441-I493 HydrophobicContact CG1-CD1 4.16Å; A488-I493 CarbonylContact C-O 3.57Å; A488-I493 HydrophobicContact CB-CB 4.13Å; A488-I493 HydrophobicContact CB-CG2 4.35Å; A488-I493 PolarHBondContact O-N 2.85Å; F491-I493 HydrophobicContact CB-CD1 4.13Å; F491-I493 HydrophobicContact CB-CG1 4.34Å; F491-I493 PolarHBondContact O-N 3.18Å; I493-P517 HydrophobicContact CD1-CB 4.38Å; I493-P517 HydrophobicContact CG1-CB 4.06Å; I493-P517 HydrophobicContact CG1-CG 3.83Å; I493-P517 HydrophobicContact CG2-CB 4.06Å; I493-P517 HydrophobicContact CG2-CG 4.43Å; I493-L519 HydrophobicContact CG2-CB 4.4Å | ||
| 494 | P | 98.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 53 Ų | 53 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | trans | -64.6 | 156.4 | 173.5 | 29.2 | -36.1 | 0 | 0 | 0 | 110.6 | P517 Y518 L519 | P494-P517 VanDerWaalsContact CD-O 3.31Å; P494-P517 WeakPolarHBondContact CD-O 3.47Å; P494-P517 WeakPolarHBondContact CG-O 3.26Å; P494-Y518 HydrophobicContact CB-CD2 4.27Å; P494-Y518 HydrophobicContact CB-CE2 4.37Å; P494-Y518 HydrophobicContact CG-CD2 3.98Å; P494-Y518 WeakPolarHBondContact O-CA 3.47Å; P494-L519 PolarHBondContact O-N 3.31Å | ||
| 495 | G | 98.4 | Very high | 98.2 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 170.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L519 | G495-L519 CarbonylContact C-O 3.24Å; G495-L519 WeakPolarHBondContact CA-O 3.2Å |
| 496 | Q | 98.5 | Very high | 98.2 | Very high | 64 Ų | 64 | 58.1 Ų | 58.1 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.8 | 177.8 | 177.9 | -179.4 | 7.9 | 0 | 0 | 109.4 | I498 Y518 L519 H521 | Q496-I498 HydrophobicContact CG-CG2 4.14Å; Q496-Y518 HydrophobicContact CB-CE1 4.44Å; Q496-Y518 VanDerWaalsContact CB-OH 3.29Å; Q496-Y518 WeakPolarHBondContact CB-OH 3.2Å; Q496-L519 PolarHBondContact N-O 3.34Å; Q496-H521 PolarHBondContact O-N 2.92Å |
| 497 | H | 98.8 | Very high | 98.2 | Very high | 78 Ų | 78 | 52 Ų | 52 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.7 | 172 | 178.9 | -145.1 | 0 | 0 | 0 | 110.2 | L485 H521 S523 | L485-H497 HydrophobicContact CD1-CB 3.77Å; L485-H497 HydrophobicContact CG-CB 4.4Å; H497-H521 CarbonylContact C-O 3.48Å; H497-H521 VanDerWaalsContact CA-O 3.29Å; H497-H521 WeakPolarHBondContact CA-O 3.23Å; H497-H521 HydrophobicContact CB-CB 4.32Å; H497-H521 AromaticContact CD2-CE1 3.63Å; H497-H521 AromaticContact CD2-CG 3.56Å; H497-H521 AromaticContact CD2-ND1 3.27Å; H497-H521 PolarHBondContact CD2-ND1 3.36Å; H497-H521 VanDerWaalsContact CD2-ND1 3.27Å; H497-H521 PolarHBondContact CD2-O 3.1Å; H497-H521 AromaticContact CG-ND1 3.6Å; H497-H521 AromaticContact NE2-CE1 3.66Å; H497-H521 AromaticContact NE2-ND1 3.79Å; H497-S523 PolarHBondContact NE2-OG 3.15Å |
| 498 | I | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 146.8 | 176.8 | 61.2 | 169.3 | 0 | 0 | 0 | 111.2 | I352 L357 Q496 Q503 V504 A507 L520 H521 V522 S523 | I352-I498 HydrophobicContact CD1-CB 4.04Å; I352-I498 HydrophobicContact CD1-CD1 3.61Å; I352-I498 HydrophobicContact CD1-CG1 3.56Å; L357-I498 HydrophobicContact CD1-CD1 4.41Å; Q496-I498 HydrophobicContact CG-CG2 4.14Å; I498-Q503 HydrophobicContact CB-CB 4.08Å; I498-Q503 HydrophobicContact CG2-CB 3.86Å; I498-V504 HydrophobicContact CD1-CG2 4.12Å; I498-A507 HydrophobicContact CD1-CB 4.06Å; I498-A507 HydrophobicContact CG2-CB 3.84Å; I498-L520 HydrophobicContact CD1-CD1 4.05Å; I498-L520 HydrophobicContact CG1-CD1 4.07Å; I498-L520 HydrophobicContact CG2-CD1 4.37Å; I498-H521 PolarHBondContact N-O 3.29Å; I498-V522 HydrophobicContact CD1-CG1 4.3Å; I498-V522 HydrophobicContact CD1-CG2 4.09Å; I498-V522 HydrophobicContact CG1-CB 4.31Å; I498-V522 HydrophobicContact CG1-CG1 4.19Å; I498-V522 HydrophobicContact CG1-CG2 4.03Å; I498-S523 PolarHBondContact O-N 2.99Å |
| 499 | T | 98.4 | Very high | 98.3 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | trans | -132.6 | -10 | -175.3 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 500 | R | 98.1 | Very high | 98.3 | Very high | 107 Ų | 107 | 52.9 Ų | 52.9 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -130.3 | 150.8 | -177 | -57.6 | -168.2 | -47.3 | -99.8 | 1.7 | 113.2 | D350 I352 D502 Q503 | D350-R500 CarbonylContact O-C 3.26Å; D350-R500 VanDerWaalsContact O-CA 3.27Å; D350-R500 WeakPolarHBondContact O-CA 3.33Å; I352-R500 WeakPolarHBondContact CG1-O 3.29Å; R500-D502 VanDerWaalsContact C-N 3.3Å; R500-D502 WeakPolarHBondContact CB-OD1 3.41Å; R500-D502 IonicContact CZ-OD1 3.61Å; R500-D502 IonicContact CZ-OD2 3.29Å; R500-D502 IonicContact NE-OD1 3.79Å; R500-D502 PolarHBondContact NE-OD1 2.79Å; R500-D502 IonicContact NE-OD2 2.75Å; R500-D502 IonicContact NH2-OD1 3.5Å; R500-D502 IonicContact NH2-OD2 3.01Å; R500-D502 PolarHBondContact NH2-OD2 3.14Å; R500-D502 PolarHBondContact O-N 2.86Å; R500-Q503 HydrophobicContact CB-CG 4.3Å; R500-Q503 WeakPolarHBondContact O-CB 3.5Å; R500-Q503 PolarHBondContact O-N 3.28Å; R500-Q503 VanDerWaalsContact O-N 3.13Å |
| 501 | K | 97.2 | Very high | 98.3 | Very high | 43 Ų | 43 | 49.1 Ų | 49.1 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -57.6 | -38.2 | -179.4 | -70.5 | -179.5 | -165.3 | 167.9 | 0 | 113.5 | H347 P348 G349 D350 A351 Q503 V504 | H347-K501 PolarHBondContact O-NZ 2.93Å; P348-K501 PolarHBondContact O-NZ 3.43Å; G349-K501 WeakPolarHBondContact O-CD 3.45Å; G349-K501 WeakPolarHBondContact O-CE 3.49Å; G349-K501 PolarHBondContact O-NZ 3.33Å; D350-K501 WeakPolarHBondContact O-CG 3.39Å; D350-K501 PolarHBondContact O-N 3.23Å; A351-K501 WeakPolarHBondContact O-CE 3.25Å; A351-K501 WeakPolarHBondContact O-CG 3.41Å; K501-Q503 PolarHBondContact O-N 2.85Å; K501-Q503 VanDerWaalsContact O-N 3.14Å; K501-V504 WeakPolarHBondContact O-CB 3.37Å; K501-V504 WeakPolarHBondContact O-CG2 3.49Å; K501-V504 PolarHBondContact O-N 3.42Å; K501-V504 VanDerWaalsContact O-N 3.15Å |
| 502 | D | 97.3 | Very high | 98.4 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -63.6 | -16.7 | -179.7 | 66.6 | -35.6 | 0 | 0 | 0 | 113.2 | R500 | R500-D502 VanDerWaalsContact C-N 3.3Å; R500-D502 WeakPolarHBondContact CB-OD1 3.41Å; R500-D502 IonicContact CZ-OD1 3.61Å; R500-D502 IonicContact CZ-OD2 3.29Å; R500-D502 IonicContact NE-OD1 3.79Å; R500-D502 PolarHBondContact NE-OD1 2.79Å; R500-D502 IonicContact NE-OD2 2.75Å; R500-D502 IonicContact NH2-OD1 3.5Å; R500-D502 IonicContact NH2-OD2 3.01Å; R500-D502 PolarHBondContact NH2-OD2 3.14Å; R500-D502 PolarHBondContact O-N 2.86Å |
| 503 | Q | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -89.9 | -17.4 | 179.3 | -54.1 | 178.3 | -62 | 0 | 0 | 113.2 | I498 R500 K501 A507 | I498-Q503 HydrophobicContact CB-CB 4.08Å; I498-Q503 HydrophobicContact CG2-CB 3.86Å; R500-Q503 HydrophobicContact CB-CG 4.3Å; R500-Q503 WeakPolarHBondContact O-CB 3.5Å; R500-Q503 PolarHBondContact O-N 3.28Å; R500-Q503 VanDerWaalsContact O-N 3.13Å; K501-Q503 PolarHBondContact O-N 2.85Å; K501-Q503 VanDerWaalsContact O-N 3.14Å; Q503-A507 VanDerWaalsContact O-CB 3.28Å; Q503-A507 WeakPolarHBondContact O-CB 3.46Å; Q503-A507 PolarHBondContact O-N 2.96Å; Q503-A507 VanDerWaalsContact O-N 3.1Å |
| 504 | V | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -49.2 | -165.2 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | I352 L357 Q360 I498 K501 A506 A507 L508 | I352-V504 HydrophobicContact CD1-CG2 4.05Å; I352-V504 HydrophobicContact CG1-CG2 3.95Å; I352-V504 HydrophobicContact CG2-CG2 4.05Å; L357-V504 HydrophobicContact CB-CG1 4.06Å; L357-V504 HydrophobicContact CD1-CG1 3.93Å; L357-V504 HydrophobicContact CD1-CG2 4.21Å; L357-V504 HydrophobicContact CG-CG1 3.79Å; Q360-V504 VanDerWaalsContact OE1-CG1 3.24Å; I498-V504 HydrophobicContact CD1-CG2 4.12Å; K501-V504 WeakPolarHBondContact O-CB 3.37Å; K501-V504 WeakPolarHBondContact O-CG2 3.49Å; K501-V504 PolarHBondContact O-N 3.42Å; K501-V504 VanDerWaalsContact O-N 3.15Å; V504-A506 PolarHBondContact O-N 3.33Å; V504-A507 PolarHBondContact O-N 3.02Å; V504-L508 HydrophobicContact CG1-CD1 3.79Å; V504-L508 HydrophobicContact CG1-CG 4.12Å; V504-L508 WeakPolarHBondContact O-CG 3.19Å; V504-L508 PolarHBondContact O-N 3.45Å |
| 505 | E | 98.3 | Very high | 98.2 | Very high | 97 Ų | 97 | 56.9 Ų | 56.9 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -49.7 | -174.2 | -57.2 | -155.7 | 144.6 | 0 | 0 | 111.9 | Q360 R364 A507 L508 D509 | Q360-E505 PolarHBondContact NE2-OE1 3.49Å; R364-E505 IonicContact NH2-OE1 2.78Å; R364-E505 PolarHBondContact NH2-OE1 3.18Å; R364-E505 IonicContact NH2-OE2 2.63Å; R364-E505 PolarHBondContact NH2-OE2 2.73Å; E505-A507 VanDerWaalsContact C-N 3.3Å; E505-A507 PolarHBondContact O-N 2.84Å; E505-L508 PolarHBondContact O-N 2.87Å; E505-D509 VanDerWaalsContact O-CG 3.31Å; E505-D509 PolarHBondContact O-N 3.03Å |
| 506 | A | 98.7 | Very high | 98.1 | Very high | 62 Ų | 62 | 56.6 Ų | 56.6 | 51% | 0.512 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V504 T510 | V504-A506 PolarHBondContact O-N 3.33Å; A506-T510 WeakPolarHBondContact O-CB 3.38Å; A506-T510 PolarHBondContact O-N 3.46Å; A506-T510 PolarHBondContact O-OG1 2.99Å |
| 507 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.3 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I498 Q503 V504 E505 T510 M511 L520 | I498-A507 HydrophobicContact CD1-CB 4.06Å; I498-A507 HydrophobicContact CG2-CB 3.84Å; Q503-A507 VanDerWaalsContact O-CB 3.28Å; Q503-A507 WeakPolarHBondContact O-CB 3.46Å; Q503-A507 PolarHBondContact O-N 2.96Å; Q503-A507 VanDerWaalsContact O-N 3.1Å; V504-A507 PolarHBondContact O-N 3.02Å; E505-A507 VanDerWaalsContact C-N 3.3Å; E505-A507 PolarHBondContact O-N 2.84Å; A507-T510 PolarHBondContact O-N 2.83Å; A507-M511 WeakPolarHBondContact O-CB 3.39Å; A507-M511 PolarHBondContact O-N 2.8Å; A507-L520 HydrophobicContact CB-CD1 3.78Å; A507-L520 HydrophobicContact CB-CD2 4.42Å |
| 508 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 173 | -71.5 | 177.5 | 0 | 0 | 0 | 111.1 | Q360 L361 V504 E505 T510 M511 L512 L520 | Q360-L508 HydrophobicContact CB-CD1 3.76Å; L361-L508 HydrophobicContact CB-CD1 4.29Å; L361-L508 HydrophobicContact CB-CD2 4.14Å; L361-L508 HydrophobicContact CD1-CD2 4.29Å; V504-L508 HydrophobicContact CG1-CD1 3.79Å; V504-L508 HydrophobicContact CG1-CG 4.12Å; V504-L508 WeakPolarHBondContact O-CG 3.19Å; V504-L508 PolarHBondContact O-N 3.45Å; E505-L508 PolarHBondContact O-N 2.87Å; L508-T510 VanDerWaalsContact C-N 3.34Å; L508-T510 PolarHBondContact O-N 3.08Å; L508-M511 HydrophobicContact CD2-CE 4.19Å; L508-M511 PolarHBondContact O-N 2.8Å; L508-L512 WeakPolarHBondContact O-CB 3.31Å; L508-L512 WeakPolarHBondContact O-CG 3.34Å; L508-L512 PolarHBondContact O-N 2.89Å; L508-L520 HydrophobicContact CD2-CD2 3.94Å |
| 509 | D | 98.5 | Very high | 98.1 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.4 | -66.5 | -17.9 | 0 | 0 | 0 | 111 | R364 E505 N513 | R364-D509 WeakPolarHBondContact CD-OD1 3.47Å; R364-D509 IonicContact NE-OD1 3.53Å; R364-D509 PolarHBondContact NE-OD1 2.58Å; E505-D509 VanDerWaalsContact O-CG 3.31Å; E505-D509 PolarHBondContact O-N 3.03Å; D509-N513 VanDerWaalsContact O-CB 3.31Å; D509-N513 WeakPolarHBondContact O-CB 3.35Å; D509-N513 PolarHBondContact O-N 3.28Å; D509-N513 PolarHBondContact O-ND2 3.45Å |
| 510 | T | 98.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.3 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | A506 A507 L508 S514 Y518 | A506-T510 WeakPolarHBondContact O-CB 3.38Å; A506-T510 PolarHBondContact O-N 3.46Å; A506-T510 PolarHBondContact O-OG1 2.99Å; A507-T510 PolarHBondContact O-N 2.83Å; L508-T510 VanDerWaalsContact C-N 3.34Å; L508-T510 PolarHBondContact O-N 3.08Å; T510-S514 WeakPolarHBondContact O-CB 3.34Å; T510-S514 PolarHBondContact O-N 2.66Å; T510-S514 VanDerWaalsContact O-N 3.07Å; T510-Y518 HydrophobicContact CG2-CE2 4.27Å |
| 511 | M | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -49.7 | 178.8 | 178.3 | -172.8 | 72.6 | 0 | 0 | 111.3 | L361 K449 V451 A507 L508 N513 S514 Y518 L520 | L361-M511 HydrophobicContact CD1-CE 4.18Å; K449-M511 HydrophobicContact CB-CE 4.31Å; K449-M511 HydrophobicContact CB-CG 3.94Å; K449-M511 HydrophobicContact CB-SD 3.98Å; K449-M511 HydrophobicContact CD-CG 4.31Å; K449-M511 WeakPolarHBondContact CD-O 2.97Å; K449-M511 WeakPolarHBondContact CE-O 3.38Å; K449-M511 HydrophobicContact CG-CG 4.36Å; V451-M511 HydrophobicContact CG2-CE 3.63Å; V451-M511 HydrophobicContact CG2-SD 3.58Å; V451-M511 VanDerWaalsContact CG2-SD 3.58Å; A507-M511 WeakPolarHBondContact O-CB 3.39Å; A507-M511 PolarHBondContact O-N 2.8Å; L508-M511 HydrophobicContact CD2-CE 4.19Å; L508-M511 PolarHBondContact O-N 2.8Å; M511-N513 VanDerWaalsContact C-N 3.31Å; M511-N513 PolarHBondContact O-N 2.97Å; M511-S514 PolarHBondContact O-N 3.47Å; M511-S514 PolarHBondContact O-OG 2.87Å; M511-Y518 HydrophobicContact CB-CD1 3.77Å; M511-Y518 HydrophobicContact CB-CE1 4.04Å; M511-Y518 HydrophobicContact CB-CG 4.5Å; M511-Y518 HydrophobicContact CG-CD1 3.71Å; M511-Y518 HydrophobicContact CG-CE1 4.44Å; M511-Y518 HydrophobicContact CG-CG 4.32Å; M511-L520 HydrophobicContact CG-CB 4.47Å; M511-L520 HydrophobicContact SD-CB 3.68Å; M511-L520 HydrophobicContact SD-CD2 4.12Å |
| 512 | L | 98.5 | Very high | 98.3 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -35.4 | -176.9 | -71.7 | 171.9 | 0 | 0 | 0 | 112.3 | L361 R364 T421 L508 | L361-L512 HydrophobicContact CD1-CD1 4.27Å; L361-L512 HydrophobicContact CD1-CD2 4.15Å; L361-L512 HydrophobicContact CD1-CG 4.49Å; R364-L512 HydrophobicContact CB-CD1 3.75Å; T421-L512 HydrophobicContact CG2-CD2 4.21Å; L508-L512 WeakPolarHBondContact O-CB 3.31Å; L508-L512 WeakPolarHBondContact O-CG 3.34Å; L508-L512 PolarHBondContact O-N 2.89Å |
| 513 | N | 97.9 | Very high | 98.3 | Very high | 130 Ų | 130 | 38.3 Ų | 38.3 | 70% | 0.695 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -0 | 179.6 | -65.2 | -61.3 | 0 | 0 | 0 | 114.3 | D509 M511 | D509-N513 VanDerWaalsContact O-CB 3.31Å; D509-N513 WeakPolarHBondContact O-CB 3.35Å; D509-N513 PolarHBondContact O-N 3.28Å; D509-N513 PolarHBondContact O-ND2 3.45Å; M511-N513 VanDerWaalsContact C-N 3.31Å; M511-N513 PolarHBondContact O-N 2.97Å |
| 514 | S | 97.7 | Very high | 98.3 | Very high | 24 Ų | 24 | 37 Ų | 37 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | trans | -67.7 | 141.7 | 179.4 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | K449 T510 M511 Y518 | K449-S514 PolarHBondContact NZ-O 2.86Å; K449-S514 PolarHBondContact NZ-OG 3.18Å; T510-S514 WeakPolarHBondContact O-CB 3.34Å; T510-S514 PolarHBondContact O-N 2.66Å; T510-S514 VanDerWaalsContact O-N 3.07Å; M511-S514 PolarHBondContact O-N 3.47Å; M511-S514 PolarHBondContact O-OG 2.87Å; S514-Y518 VanDerWaalsContact OG-CB 3.28Å; S514-Y518 WeakPolarHBondContact OG-CB 3.48Å | ||
| 515 | D | 94.7 | Very high | 98.2 | Very high | 162 Ų | 162 | 40 Ų | 40 | 87% | 0.866 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -77.6 | 130.9 | 167.8 | -66.8 | -41.3 | 0 | 0 | 0 | 109.7 | ||
| 516 | G | 97.4 | Very high | 98.1 | Very high | 25 Ų | 25 | 38.3 Ų | 38.3 | 26% | 0.258 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 73.8 | -163.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P447 K449 | P447-G516 VanDerWaalsContact CA-C 3.45Å; K449-G516 PolarHBondContact NZ-O 3.13Å |
| 517 | P | 98.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 13% | 0.13 | 22% | 0.221 | C | C | . | . | trans | -71.7 | 148.3 | -176.4 | 27.7 | -33.6 | 0 | 0 | 0 | 111.9 | V441 L446 L448 I493 P494 | V441-P517 HydrophobicContact CG1-CB 3.71Å; V441-P517 HydrophobicContact CG1-CG 4.11Å; L446-P517 WeakPolarHBondContact O-CB 3.33Å; L446-P517 WeakPolarHBondContact O-CD 3.41Å; L448-P517 CarbonylContact O-C 3.5Å; L448-P517 WeakPolarHBondContact O-CA 3.1Å; I493-P517 HydrophobicContact CD1-CB 4.38Å; I493-P517 HydrophobicContact CG1-CB 4.06Å; I493-P517 HydrophobicContact CG1-CG 3.83Å; I493-P517 HydrophobicContact CG2-CB 4.06Å; I493-P517 HydrophobicContact CG2-CG 4.43Å; P494-P517 VanDerWaalsContact CD-O 3.31Å; P494-P517 WeakPolarHBondContact CD-O 3.47Å; P494-P517 WeakPolarHBondContact CG-O 3.26Å | ||
| 518 | Y | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 135.7 | 178.8 | -165.1 | -84.8 | 0 | 0 | 0 | 111.8 | L448 I450 P494 Q496 T510 M511 S514 L520 | L448-Y518 PolarHBondContact O-N 3.46Å; I450-Y518 PolarHBondContact N-O 3.42Å; P494-Y518 HydrophobicContact CB-CD2 4.27Å; P494-Y518 HydrophobicContact CB-CE2 4.37Å; P494-Y518 HydrophobicContact CG-CD2 3.98Å; P494-Y518 WeakPolarHBondContact O-CA 3.47Å; Q496-Y518 HydrophobicContact CB-CE1 4.44Å; Q496-Y518 VanDerWaalsContact CB-OH 3.29Å; Q496-Y518 WeakPolarHBondContact CB-OH 3.2Å; T510-Y518 HydrophobicContact CG2-CE2 4.27Å; M511-Y518 HydrophobicContact CB-CD1 3.77Å; M511-Y518 HydrophobicContact CB-CE1 4.04Å; M511-Y518 HydrophobicContact CB-CG 4.5Å; M511-Y518 HydrophobicContact CG-CD1 3.71Å; M511-Y518 HydrophobicContact CG-CE1 4.44Å; M511-Y518 HydrophobicContact CG-CG 4.32Å; S514-Y518 VanDerWaalsContact OG-CB 3.28Å; S514-Y518 WeakPolarHBondContact OG-CB 3.48Å; Y518-L520 HydrophobicContact CE1-CB 4.5Å |
| 519 | L | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113 | 173.9 | 179 | 66.4 | 0 | 0 | 0 | 111.1 | I450 L452 F484 L485 A488 I493 P494 G495 Q496 | I450-L519 HydrophobicContact CB-CD1 3.77Å; I450-L519 HydrophobicContact CG2-CD1 3.5Å; I450-L519 VanDerWaalsContact CG2-CD1 3.5Å; L452-L519 HydrophobicContact CB-CD1 3.96Å; F484-L519 HydrophobicContact CB-CD2 4.13Å; F484-L519 WeakPolarHBondContact O-CD2 3.48Å; L485-L519 HydrophobicContact CD2-CD2 4.32Å; A488-L519 HydrophobicContact CB-CB 4.17Å; A488-L519 HydrophobicContact CB-CD2 3.62Å; I493-L519 HydrophobicContact CG2-CB 4.4Å; P494-L519 PolarHBondContact O-N 3.31Å; G495-L519 CarbonylContact C-O 3.24Å; G495-L519 WeakPolarHBondContact CA-O 3.2Å; Q496-L519 PolarHBondContact N-O 3.34Å |
| 520 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 103 | 165.5 | 179.8 | 57.6 | 0 | 0 | 0 | 109.1 | I450 L452 I498 A507 L508 M511 Y518 V522 | I450-L520 PolarHBondContact O-N 3Å; L452-L520 PolarHBondContact N-O 2.93Å; I498-L520 HydrophobicContact CD1-CD1 4.05Å; I498-L520 HydrophobicContact CG1-CD1 4.07Å; I498-L520 HydrophobicContact CG2-CD1 4.37Å; A507-L520 HydrophobicContact CB-CD1 3.78Å; A507-L520 HydrophobicContact CB-CD2 4.42Å; L508-L520 HydrophobicContact CD2-CD2 3.94Å; M511-L520 HydrophobicContact CG-CB 4.47Å; M511-L520 HydrophobicContact SD-CB 3.68Å; M511-L520 HydrophobicContact SD-CD2 4.12Å; Y518-L520 HydrophobicContact CE1-CB 4.5Å; L520-V522 HydrophobicContact CD1-CG2 4.42Å; L520-V522 HydrophobicContact CD2-CG2 4.24Å; L520-V522 HydrophobicContact CG-CG2 3.77Å |
| 521 | H | 98.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121.7 | 174.6 | 177.9 | -156.1 | 0 | 0 | 0 | 109.2 | D454 F484 L485 Q496 H497 I498 | D454-H521 WeakPolarHBondContact CB-NE2 3.32Å; D454-H521 IonicContact OD2-CD2 3.39Å; D454-H521 IonicContact OD2-CE1 3.35Å; D454-H521 IonicContact OD2-NE2 3.52Å; D454-H521 PolarHBondContact OD2-NE2 3.1Å; F484-H521 AromaticContact CD2-CE1 3.88Å; F484-H521 AromaticContact CD2-NE2 3.69Å; L485-H521 HydrophobicContact CD2-CB 4.28Å; Q496-H521 PolarHBondContact O-N 2.92Å; H497-H521 CarbonylContact C-O 3.48Å; H497-H521 VanDerWaalsContact CA-O 3.29Å; H497-H521 WeakPolarHBondContact CA-O 3.23Å; H497-H521 HydrophobicContact CB-CB 4.32Å; H497-H521 AromaticContact CD2-CE1 3.63Å; H497-H521 AromaticContact CD2-CG 3.56Å; H497-H521 AromaticContact CD2-ND1 3.27Å; H497-H521 PolarHBondContact CD2-ND1 3.36Å; H497-H521 VanDerWaalsContact CD2-ND1 3.27Å; H497-H521 PolarHBondContact CD2-O 3.1Å; H497-H521 AromaticContact CG-ND1 3.6Å; H497-H521 AromaticContact NE2-CE1 3.66Å; H497-H521 AromaticContact NE2-ND1 3.79Å; I498-H521 PolarHBondContact N-O 3.29Å |
| 522 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 111.5 | -172.4 | -174.6 | 0 | 0 | 0 | 0 | 109 | I352 L357 V451 L452 L453 D454 I498 L520 I524 | I352-V522 HydrophobicContact CB-CG1 4.28Å; I352-V522 HydrophobicContact CD1-CG1 3.66Å; I352-V522 HydrophobicContact CG2-CG1 3.77Å; L357-V522 HydrophobicContact CD1-CB 4.42Å; L357-V522 HydrophobicContact CD1-CG1 3.63Å; L357-V522 HydrophobicContact CD1-CG2 3.95Å; V451-V522 HydrophobicContact CG1-CG2 4.07Å; L452-V522 PolarHBondContact O-N 3.06Å; L453-V522 HydrophobicContact CD2-CB 3.92Å; L453-V522 HydrophobicContact CD2-CG1 4.04Å; L453-V522 HydrophobicContact CD2-CG2 4.27Å; D454-V522 PolarHBondContact N-O 3.33Å; I498-V522 HydrophobicContact CD1-CG1 4.3Å; I498-V522 HydrophobicContact CD1-CG2 4.09Å; I498-V522 HydrophobicContact CG1-CB 4.31Å; I498-V522 HydrophobicContact CG1-CG1 4.19Å; I498-V522 HydrophobicContact CG1-CG2 4.03Å; L520-V522 HydrophobicContact CD1-CG2 4.42Å; L520-V522 HydrophobicContact CD2-CG2 4.24Å; L520-V522 HydrophobicContact CG-CG2 3.77Å; V522-I524 HydrophobicContact CG1-CG2 3.84Å; V522-I524 PolarHBondContact O-N 3.3Å |
| 523 | S | 98.5 | Very high | 97.1 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.5 | 169 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | D454 H497 I498 | D454-S523 WeakPolarHBondContact O-CA 3.08Å; H497-S523 PolarHBondContact NE2-OG 3.15Å; I498-S523 PolarHBondContact O-N 2.99Å |
| 524 | I | 98.1 | Very high | 97 | Very high | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.097 | 16% | 0.164 | C | C | . | . | trans | -122.3 | 163.1 | 173.5 | 65.7 | 170 | 0 | 0 | 0 | 109.5 | I352 A354 W381 L453 D454 N455 V522 E526 | I352-I524 HydrophobicContact CB-CG2 4.39Å; I352-I524 HydrophobicContact CG2-CG2 4.22Å; A354-I524 HydrophobicContact CB-CD1 4.17Å; A354-I524 HydrophobicContact CB-CG2 4.28Å; W381-I524 HydrophobicContact CH2-CD1 4.27Å; W381-I524 HydrophobicContact CZ3-CD1 3.75Å; L453-I524 HydrophobicContact CB-CD1 4.12Å; L453-I524 HydrophobicContact CD2-CG2 4.34Å; D454-I524 PolarHBondContact O-N 3.38Å; N455-I524 HydrophobicContact CB-CD1 3.97Å; N455-I524 HydrophobicContact CB-CG1 3.61Å; V522-I524 HydrophobicContact CG1-CG2 3.84Å; V522-I524 PolarHBondContact O-N 3.3Å; I524-E526 PolarHBondContact O-N 3.39Å | ||
| 525 | D | 96 | Very high | 96.7 | Very high | 66 Ų | 66 | 30 Ų | 30 | 35% | 0.353 | 16% | 0.163 | S | C | . | . | trans | -67 | 129.1 | -179.7 | -174.7 | -22.6 | 0 | 0 | 0 | 111.1 | L527 E528 | D525-L527 PolarHBondContact O-N 3.3Å; D525-L527 WeakPolarHBondContact OD1-CB 3.12Å; D525-L527 PolarHBondContact OD1-N 2.95Å; D525-E528 HydrophobicContact CB-CG 3.99Å; D525-E528 PolarHBondContact O-N 3.07Å | ||
| 526 | E | 95.7 | Very high | 96.3 | Very high | 63 Ų | 63 | 25.5 Ų | 25.5 | 29% | 0.294 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.2 | 179.8 | 65.8 | 169.7 | -134.7 | 0 | 0 | 113.9 | N455 R457 R462 I524 | N455-E526 VanDerWaalsContact O-CB 3.23Å; N455-E526 WeakPolarHBondContact O-CB 3.25Å; R457-E526 HydrophobicContact CG-CB 3.93Å; R457-E526 IonicContact CZ-OE1 3.51Å; R457-E526 IonicContact CZ-OE2 3.52Å; R457-E526 IonicContact NE-OE2 2.61Å; R457-E526 IonicContact NH1-OE2 3.9Å; R457-E526 PolarHBondContact NH1-OE2 3.39Å; R457-E526 IonicContact NH2-OE1 2.67Å; R457-E526 PolarHBondContact NH2-OE1 3.42Å; R457-E526 IonicContact NH2-OE2 3.1Å; R457-E526 PolarHBondContact NH2-OE2 2.94Å; R462-E526 PolarHBondContact NH1-O 3.4Å; I524-E526 PolarHBondContact O-N 3.39Å |
| 527 | L | 93.8 | Very high | 95.8 | Very high | 90 Ų | 90 | 27.2 Ų | 27.2 | 47% | 0.471 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -6.3 | -178.8 | -59.6 | -176.9 | 0 | 0 | 0 | 113.5 | R462 D525 | R462-L527 VanDerWaalsContact NH1-CA 3.32Å; R462-L527 PolarHBondContact NH1-O 3.12Å; R462-L527 VanDerWaalsContact NH1-O 3.08Å; D525-L527 PolarHBondContact O-N 3.3Å; D525-L527 WeakPolarHBondContact OD1-CB 3.12Å; D525-L527 PolarHBondContact OD1-N 2.95Å |
| 528 | E | 94.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 26.9 Ų | 26.9 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | trans | -67.3 | 142.1 | 179 | -78.5 | -59.8 | 143.7 | 0 | 0 | 112.5 | H347 Q377 W381 R462 D525 K546 | H347-E528 IonicContact CE1-OE1 2.7Å; H347-E528 IonicContact NE2-OE1 3.87Å; H347-E528 PolarHBondContact NE2-OE1 2.92Å; Q377-E528 PolarHBondContact NE2-O 3.47Å; Q377-E528 VanDerWaalsContact NE2-O 3.15Å; W381-E528 HydrophobicContact CH2-CB 4.37Å; W381-E528 HydrophobicContact CZ2-CB 4.34Å; R462-E528 VanDerWaalsContact CZ-O 3.3Å; R462-E528 PolarHBondContact NH1-O 3.24Å; R462-E528 PolarHBondContact NH2-O 3.04Å; D525-E528 HydrophobicContact CB-CG 3.99Å; D525-E528 PolarHBondContact O-N 3.07Å; E528-K546 IonicContact OE1-NZ 2.97Å; E528-K546 PolarHBondContact OE1-NZ 3.36Å; E528-K546 IonicContact OE2-NZ 3.67Å; E528-K546 PolarHBondContact OE2-NZ 3.24Å | ||
| 529 | N | 96 | Very high | 95.3 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | trans | -122.2 | 154 | -176.2 | -78.1 | -28.3 | 0 | 0 | 0 | 111.1 | R462 Q463 Q466 W531 | R462-N529 PolarHBondContact NH1-OD1 2.61Å; Q463-N529 WeakPolarHBondContact CB-OD1 3.44Å; Q463-N529 HydrophobicContact CG-CB 4.13Å; Q463-N529 VanDerWaalsContact CG-OD1 3.26Å; Q463-N529 WeakPolarHBondContact CG-OD1 3.33Å; Q466-N529 PolarHBondContact OE1-ND2 2.68Å; N529-W531 HydrophobicContact CB-CZ2 3.79Å; N529-W531 VanDerWaalsContact O-CD1 3.28Å | ||
| 530 | V | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -81.3 | 125.3 | 172.8 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | H251 Q377 M380 W381 M460 Q463 | H251-V530 HydrophobicContact CB-CG1 3.98Å; H251-V530 WeakPolarHBondContact ND1-CG1 3.46Å; Q377-V530 HydrophobicContact CB-CG2 3.49Å; Q377-V530 VanDerWaalsContact CB-CG2 3.49Å; Q377-V530 HydrophobicContact CG-CG2 3.6Å; M380-V530 HydrophobicContact CB-CB 4.5Å; M380-V530 HydrophobicContact CB-CG1 3.63Å; M380-V530 HydrophobicContact CB-CG2 4.11Å; M380-V530 HydrophobicContact CG-CG1 4.31Å; W381-V530 HydrophobicContact CD2-CG2 4.29Å; W381-V530 HydrophobicContact CZ2-CG2 4.01Å; M460-V530 HydrophobicContact CE-CG2 4.32Å; Q463-V530 PolarHBondContact NE2-O 3.01Å | ||
| 531 | W | 95.7 | Very high | 94.7 | Very high | 46 Ų | 46 | 29 Ų | 29 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -129.5 | 153.2 | 176.8 | -57.5 | 108.4 | 0 | 0 | 0 | 109.8 | Q384 L467 N529 L533 L544 K546 | Q384-W531 PolarHBondContact NE2-O 3.41Å; L467-W531 HydrophobicContact CD1-CH2 4.05Å; L467-W531 HydrophobicContact CD1-CZ3 4.48Å; L467-W531 HydrophobicContact CD2-CH2 4.04Å; N529-W531 HydrophobicContact CB-CZ2 3.79Å; N529-W531 VanDerWaalsContact O-CD1 3.28Å; W531-L533 HydrophobicContact CE3-CB 4.14Å; W531-L533 HydrophobicContact CZ3-CB 4.16Å; W531-L544 HydrophobicContact CE3-CB 4.47Å; W531-L544 HydrophobicContact CZ3-CB 3.78Å; W531-K546 HydrophobicContact CD2-CB 4.38Å; W531-K546 HydrophobicContact CG-CB 4.2Å |
| 532 | P | 96.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | S | Bend | cis | -62.5 | 166.4 | -12.3 | -17.5 | 31.1 | 0 | 0 | 0 | 112.6 | H251 G252 K254 M543 | H251-P532 WeakPolarHBondContact CA-O 3.43Å; H251-P532 PolarHBondContact ND1-O 2.86Å; G252-P532 WeakPolarHBondContact O-CD 3.22Å; K254-P532 HydrophobicContact CD-CG 4.33Å; K254-P532 HydrophobicContact CG-CB 4.19Å; K254-P532 HydrophobicContact CG-CG 3.71Å; P532-M543 HydrophobicContact CB-CB 4.45Å; P532-M543 HydrophobicContact CB-SD 4.28Å |
| 533 | L | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -133 | 123.6 | 173.7 | 170.3 | 65.7 | 0 | 0 | 0 | 110 | M250 H251 L467 F468 W531 P535 M543 L544 | M250-L533 HydrophobicContact CG-CD1 3.66Å; M250-L533 CarbonylContact O-C 3.39Å; M250-L533 VanDerWaalsContact O-CA 3.22Å; M250-L533 WeakPolarHBondContact O-CA 3.09Å; M250-L533 HydrophobicContact SD-CD1 4.25Å; H251-L533 WeakPolarHBondContact CE1-CD1 3.44Å; L467-L533 HydrophobicContact CD1-CD2 3.51Å; F468-L533 HydrophobicContact CE2-CD2 4.25Å; F468-L533 HydrophobicContact CZ-CD2 4.06Å; W531-L533 HydrophobicContact CE3-CB 4.14Å; W531-L533 HydrophobicContact CZ3-CB 4.16Å; L533-P535 WeakPolarHBondContact O-CD 3.45Å; L533-M543 WeakPolarHBondContact O-CA 3.45Å; L533-L544 PolarHBondContact N-O 3.48Å; L533-L544 VanDerWaalsContact N-O 3.08Å; L533-L544 PolarHBondContact O-N 2.87Å |
| 534 | V | 95.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | trans | -83.2 | 115.6 | 162.3 | -176 | 0 | 0 | 0 | 0 | 108.2 | M250 A538 S539 M543 | M250-V534 PolarHBondContact O-N 3.01Å; V534-A538 HydrophobicContact CG1-CB 4.2Å; V534-S539 WeakPolarHBondContact CG1-O 3.47Å; V534-M543 HydrophobicContact CG2-CG 3.67Å | ||
| 535 | P | 92.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 41 Ų | 41 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | trans | -62.9 | 159.8 | -178.8 | -24.2 | 35.7 | 0 | 0 | 0 | 113 | F468 L533 G537 A538 E542 L544 | F468-P535 HydrophobicContact CE1-CB 4.23Å; F468-P535 HydrophobicContact CZ-CB 4.13Å; L533-P535 WeakPolarHBondContact O-CD 3.45Å; P535-G537 PolarHBondContact O-N 2.77Å; P535-A538 HydrophobicContact CB-CB 4.02Å; P535-A538 HydrophobicContact CG-CB 4.28Å; P535-A538 VanDerWaalsContact O-CB 3.29Å; P535-A538 WeakPolarHBondContact O-CB 3.16Å; P535-A538 PolarHBondContact O-N 2.88Å; P535-E542 WeakPolarHBondContact CD-O 3.32Å; P535-L544 HydrophobicContact CG-CD1 3.6Å; P535-L544 HydrophobicContact CG-CD2 4.41Å; P535-L544 HydrophobicContact CG-CG 3.61Å | ||
| 536 | P | 85.4 | Confident | 92.7 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 125 | 178.1 | -24.3 | 35.7 | 0 | 0 | 0 | 111.9 | W464 F468 A538 | W464-P536 HydrophobicContact CE3-CG 4.09Å; W464-P536 HydrophobicContact CH2-CB 4.28Å; W464-P536 HydrophobicContact CH2-CG 3.34Å; W464-P536 HydrophobicContact CZ2-CG 4.31Å; W464-P536 HydrophobicContact CZ3-CB 4.21Å; W464-P536 HydrophobicContact CZ3-CG 3.18Å; F468-P536 HydrophobicContact CE2-CG 4.32Å; F468-P536 HydrophobicContact CZ-CG 4.48Å; P536-A538 PolarHBondContact O-N 3.14Å |
| 537 | G | 86.6 | Confident | 91.2 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 63% | 0.629 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 5.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | P535 | P535-G537 PolarHBondContact O-N 2.77Š|
| 538 | A | 93.2 | Very high | 89.2 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | trans | -83.9 | 162.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K280 V534 P535 P536 E542 | K280-A538 WeakPolarHBondContact CB-O 3.23Å; K280-A538 PolarHBondContact N-O 3.17Å; V534-A538 HydrophobicContact CG1-CB 4.2Å; P535-A538 HydrophobicContact CB-CB 4.02Å; P535-A538 HydrophobicContact CG-CB 4.28Å; P535-A538 VanDerWaalsContact O-CB 3.29Å; P535-A538 WeakPolarHBondContact O-CB 3.16Å; P535-A538 PolarHBondContact O-N 2.88Å; P536-A538 PolarHBondContact O-N 3.14Å; A538-E542 HydrophobicContact CB-CB 4.26Å | ||
| 539 | S | 94.4 | Very high | 88.9 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | trans | -73.6 | 150.7 | 170.2 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | Q261 V534 S541 E542 | Q261-S539 PolarHBondContact NE2-OG 2.64Å; Q261-S539 VanDerWaalsContact NE2-OG 3.16Å; V534-S539 WeakPolarHBondContact CG1-O 3.47Å; S539-S541 WeakPolarHBondContact CB-OG 3.45Å; S539-S541 PolarHBondContact O-N 3.49Å; S539-S541 PolarHBondContact OG-N 2.87Å; S539-S541 PolarHBondContact OG-OG 3Å; S539-E542 PolarHBondContact N-OE2 3.42Å; S539-E542 PolarHBondContact O-N 3.22Å | ||
| 540 | N | 93.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -15.8 | 171.8 | -71.8 | 47.8 | 0 | 0 | 0 | 113.1 | N257 Q261 V277 T278 E542 M543 | N257-N540 HydrophobicContact CB-CB 4.16Å; N257-N540 PolarHBondContact OD1-ND2 3.24Å; Q261-N540 HydrophobicContact CG-CB 4.21Å; V277-N540 PolarHBondContact O-ND2 3.42Å; T278-N540 VanDerWaalsContact C-OD1 3.25Å; T278-N540 PolarHBondContact O-OD1 3.3Å; N540-E542 VanDerWaalsContact C-N 3.33Å; N540-M543 WeakPolarHBondContact O-CE 3.4Å |
| 541 | S | 91.5 | Very high | 88.1 | Confident | 58 Ų | 58 | 59 Ų | 59 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.9 | 171.8 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | S539 | S539-S541 WeakPolarHBondContact CB-OG 3.45Å; S539-S541 PolarHBondContact O-N 3.49Å; S539-S541 PolarHBondContact OG-N 2.87Å; S539-S541 PolarHBondContact OG-OG 3Å |
| 542 | E | 92.3 | Very high | 87.6 | Confident | 116 Ų | 116 | 59.8 Ų | 59.8 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -107 | 52.2 | -173.3 | -62.6 | 172.7 | 150.4 | 0 | 0 | 110.9 | P535 A538 S539 N540 | P535-E542 WeakPolarHBondContact CD-O 3.32Å; A538-E542 HydrophobicContact CB-CB 4.26Å; S539-E542 PolarHBondContact N-OE2 3.42Å; S539-E542 PolarHBondContact O-N 3.22Å; N540-E542 VanDerWaalsContact C-N 3.33Å |
| 543 | M | 93.2 | Very high | 87.1 | Confident | 26 Ų | 26 | 62.9 Ų | 62.9 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | trans | -75 | 138.7 | -179.9 | -71.9 | 172.1 | -71.9 | 0 | 0 | 112 | K254 N257 F258 P532 L533 V534 N540 | K254-M543 HydrophobicContact CB-CE 3.82Å; K254-M543 HydrophobicContact CB-SD 4.25Å; K254-M543 HydrophobicContact CG-CE 3.69Å; K254-M543 HydrophobicContact CG-SD 3.75Å; N257-M543 HydrophobicContact CB-CE 3.8Å; N257-M543 HydrophobicContact CB-SD 3.75Å; N257-M543 PolarHBondContact ND2-SD 3.3Å; F258-M543 HydrophobicContact CD1-CE 3.68Å; F258-M543 HydrophobicContact CD2-CE 4.4Å; F258-M543 HydrophobicContact CE1-CE 3.23Å; F258-M543 HydrophobicContact CE2-CE 4.04Å; F258-M543 HydrophobicContact CG-CE 4.24Å; F258-M543 HydrophobicContact CZ-CE 3.44Å; F258-M543 VanDerWaalsContact CZ-CE 3.44Å; P532-M543 HydrophobicContact CB-CB 4.45Å; P532-M543 HydrophobicContact CB-SD 4.28Å; L533-M543 WeakPolarHBondContact O-CA 3.45Å; V534-M543 HydrophobicContact CG2-CG 3.67Å; N540-M543 WeakPolarHBondContact O-CE 3.4Å | ||
| 544 | L | 92.8 | Very high | 86.5 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 37% | 0.366 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -87.8 | 148.1 | 166.3 | -60.3 | 179.7 | 0 | 0 | 0 | 110.8 | W531 L533 P535 | W531-L544 HydrophobicContact CE3-CB 4.47Å; W531-L544 HydrophobicContact CZ3-CB 3.78Å; L533-L544 PolarHBondContact N-O 3.48Å; L533-L544 VanDerWaalsContact N-O 3.08Å; L533-L544 PolarHBondContact O-N 2.87Å; P535-L544 HydrophobicContact CG-CD1 3.6Å; P535-L544 HydrophobicContact CG-CD2 4.41Å; P535-L544 HydrophobicContact CG-CG 3.61Å |
| 545 | E | 88.3 | Confident | 85.9 | Confident | 103 Ų | 103 | 71.6 Ų | 71.6 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | trans | -130.9 | 161.6 | 175.3 | -69.8 | 179.8 | 119 | 0 | 0 | 110.5 | K254 L547 | K254-E545 HydrophobicContact CD-CG 4.16Å; K254-E545 WeakPolarHBondContact CD-OE1 3.12Å; K254-E545 IonicContact NZ-OE1 3.49Å; K254-E545 PolarHBondContact NZ-OE1 3.36Å; K254-E545 IonicContact NZ-OE2 3.64Å; K254-E545 PolarHBondContact NZ-OE2 3.26Å; E545-L547 PolarHBondContact O-N 3.35Å | ||
| 546 | K | 82 | Confident | 85.4 | Confident | 98 Ų | 98 | 75.4 Ų | 75.4 | 43% | 0.426 | 45% | 0.446 | S | S | . | . | trans | -61.2 | 118.5 | 166.4 | -158.8 | 171.4 | -174.4 | 171.1 | 0 | 107.2 | E528 W531 S548 | E528-K546 IonicContact OE1-NZ 2.97Å; E528-K546 PolarHBondContact OE1-NZ 3.36Å; E528-K546 IonicContact OE2-NZ 3.67Å; E528-K546 PolarHBondContact OE2-NZ 3.24Å; W531-K546 HydrophobicContact CD2-CB 4.38Å; W531-K546 HydrophobicContact CG-CB 4.2Å; K546-S548 PolarHBondContact O-N 2.66Å; K546-S548 VanDerWaalsContact O-N 3.12Å | ||
| 547 | L | 64.5 | Low | 85.4 | Confident | 171 Ų | 171 | 76 Ų | 76 | 90% | 0.895 | 45% | 0.446 | S | S | * | . | trans | -58.9 | 118.4 | 170 | -72.6 | 166.2 | 0 | 0 | 0 | 107.3 | E545 | E545-L547 PolarHBondContact O-N 3.35Š| ||
| 548 | S | 52.4 | Low | 85.3 | Confident | 186 Ų | 186 | 77.4 Ų | 77.4 | 100% | 1.301 | 43% | 0.429 | S | S | * | . | trans | -58.9 | 0 | -177.3 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | K546 | K546-S548 PolarHBondContact O-N 2.66Å; K546-S548 VanDerWaalsContact O-N 3.12Å |
Retrieved 548 of 548 residues in 726.1 ms
(Link to these results)