| 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 | 54.7 | Low | 74.8 | Confident | 138 Ų | 138 | 65 Ų | 65 | 68% | 0.68 | 34% | 0.34 | S | S | * | . | 0 | -56.7 | 0 | -165.6 | 175.3 | 73.8 | 0 | 0 | 112.2 | N3 Y4 L5 Y76 | M1-N3 PolarHBondContact O-N 3.03Å; M1-Y4 WeakPolarHBondContact O-CB 3.38Å; M1-Y4 PolarHBondContact O-N 3.34Å; M1-L5 PolarHBondContact O-N 3.44Å; M1-Y76 WeakPolarHBondContact CE-OH 2.98Å | |||
| 2 | F | 71.7 | Confident | 76.4 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.3 | -29.8 | -175.9 | -54.7 | -65.2 | 0 | 0 | 0 | 114.8 | Y4 L5 V6 F40 T45 A47 L80 N83 | F2-Y4 PolarHBondContact O-N 3.19Å; F2-L5 WeakPolarHBondContact O-CA 3.3Å; F2-L5 WeakPolarHBondContact O-CB 3.35Å; F2-L5 PolarHBondContact O-N 2.95Å; F2-V6 WeakPolarHBondContact O-CB 3.35Å; F2-V6 WeakPolarHBondContact O-CG2 3.25Å; F2-V6 PolarHBondContact O-N 3.41Å; F2-F40 AromaticContact CD1-CE1 3.7Å; F2-F40 HydrophobicContact CD1-CE1 3.7Å; F2-F40 HydrophobicContact CD1-CZ 4.46Å; F2-F40 AromaticContact CE1-CE1 3.45Å; F2-F40 HydrophobicContact CE1-CE1 3.45Å; F2-F40 VanDerWaalsContact CE1-CE1 3.45Å; F2-F40 AromaticContact CE1-CZ 3.76Å; F2-F40 HydrophobicContact CE1-CZ 3.76Å; F2-F40 HydrophobicContact CZ-CE1 4.48Å; F2-T45 HydrophobicContact CB-CG2 4Å; F2-T45 HydrophobicContact CD1-CG2 3.56Å; F2-T45 HydrophobicContact CD2-CG2 3.91Å; F2-T45 HydrophobicContact CE1-CG2 4Å; F2-T45 HydrophobicContact CE2-CG2 4.33Å; F2-T45 HydrophobicContact CG-CG2 3.49Å; F2-T45 VanDerWaalsContact CG-CG2 3.49Å; F2-T45 HydrophobicContact CZ-CG2 4.36Å; F2-A47 HydrophobicContact CB-CB 3.92Å; F2-L80 HydrophobicContact CE1-CD1 4.44Å; F2-L80 HydrophobicContact CE2-CD2 3.55Å; F2-L80 HydrophobicContact CE2-CG 4.44Å; F2-L80 HydrophobicContact CZ-CD1 3.73Å; F2-L80 HydrophobicContact CZ-CD2 3.4Å; F2-L80 VanDerWaalsContact CZ-CD2 3.4Å; F2-L80 HydrophobicContact CZ-CG 4.08Å; F2-N83 WeakPolarHBondContact CD2-ND2 3.49Å |
| 3 | N | 71.6 | Confident | 77.9 | Confident | 117 Ų | 117 | 59.7 Ų | 59.7 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.4 | -30.7 | 170.5 | -62.7 | -7.7 | 0 | 0 | 0 | 112.2 | M1 G7 A47 | M1-N3 PolarHBondContact O-N 3.03Å; N3-G7 PolarHBondContact O-N 3.28Å; N3-A47 WeakPolarHBondContact OD1-CB 3.45Å |
| 4 | Y | 71.8 | Confident | 79.1 | Confident | 190 Ų | 190 | 64.1 Ų | 64.1 | 75% | 0.745 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -73.1 | -37.3 | 172.2 | -64.3 | -80.8 | 0 | 0 | 0 | 111.9 | M1 F2 Y8 | M1-Y4 WeakPolarHBondContact O-CB 3.38Å; M1-Y4 PolarHBondContact O-N 3.34Å; F2-Y4 PolarHBondContact O-N 3.19Å; Y4-Y8 WeakPolarHBondContact O-CB 3.49Å; Y4-Y8 PolarHBondContact O-N 2.78Å |
| 5 | L | 72.6 | Confident | 80.1 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 173.8 | -177.5 | 75.5 | 0 | 0 | 0 | 110.7 | M1 F2 Y8 F9 I11 V37 F40 | M1-L5 PolarHBondContact O-N 3.44Å; F2-L5 WeakPolarHBondContact O-CA 3.3Å; F2-L5 WeakPolarHBondContact O-CB 3.35Å; F2-L5 PolarHBondContact O-N 2.95Å; L5-Y8 PolarHBondContact O-N 2.98Å; L5-F9 HydrophobicContact CD1-CD2 3.71Å; L5-F9 HydrophobicContact CD1-CE2 3.64Å; L5-F9 HydrophobicContact CG-CD2 4.22Å; L5-F9 WeakPolarHBondContact O-CD2 3.3Å; L5-F9 PolarHBondContact O-N 3.17Å; L5-I11 HydrophobicContact CG-CD1 4.36Å; L5-V37 HydrophobicContact CD1-CG1 4.41Å; L5-F40 HydrophobicContact CD2-CD1 3.89Å; L5-F40 HydrophobicContact CD2-CE1 4.17Å |
| 6 | V | 75.2 | Confident | 81.1 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | F2 Y8 F9 P10 I11 A47 T48 | F2-V6 WeakPolarHBondContact O-CB 3.35Å; F2-V6 WeakPolarHBondContact O-CG2 3.25Å; F2-V6 PolarHBondContact O-N 3.41Å; V6-Y8 VanDerWaalsContact C-N 3.34Å; V6-Y8 PolarHBondContact O-N 2.92Å; V6-F9 CarbonylContact O-C 3.49Å; V6-P10 CarbonylContact O-C 3.3Å; V6-P10 WeakPolarHBondContact O-CA 3.46Å; V6-I11 HydrophobicContact CB-CB 4.33Å; V6-I11 HydrophobicContact CG1-CB 4.13Å; V6-I11 WeakPolarHBondContact CG1-O 3.34Å; V6-I11 HydrophobicContact CG2-CB 4.17Å; V6-I11 HydrophobicContact CG2-CD1 4.27Å; V6-I11 PolarHBondContact O-N 2.96Å; V6-A47 HydrophobicContact CB-CB 4.5Å; V6-A47 HydrophobicContact CG2-CB 3.58Å; V6-T48 HydrophobicContact CB-CG2 4.4Å; V6-T48 HydrophobicContact CG1-CG2 3.72Å; V6-T48 HydrophobicContact CG2-CG2 3.72Å |
| 7 | G | 75.3 | Confident | 81.7 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 54% | 0.536 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.4 | -32.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N3 | N3-G7 PolarHBondContact O-N 3.28Å |
| 8 | Y | 77.6 | Confident | 82.4 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.6 | -44.7 | 176.5 | -174.2 | -95.6 | 0 | 0 | 0 | 111.6 | Y4 L5 V6 P10 R250 Q263 | Y4-Y8 WeakPolarHBondContact O-CB 3.49Å; Y4-Y8 PolarHBondContact O-N 2.78Å; L5-Y8 PolarHBondContact O-N 2.98Å; V6-Y8 VanDerWaalsContact C-N 3.34Å; V6-Y8 PolarHBondContact O-N 2.92Å; Y8-P10 WeakPolarHBondContact O-CD 3.35Å; Y8-R250 WeakPolarHBondContact OH-CD 3.4Å; Y8-R250 PolarHBondContact OH-NE 3.4Å; Y8-R250 PolarHBondContact OH-NH2 3.48Å; Y8-Q263 HydrophobicContact CD1-CG 4.35Å; Y8-Q263 HydrophobicContact CD2-CG 4.32Å; Y8-Q263 HydrophobicContact CE1-CB 4.17Å; Y8-Q263 HydrophobicContact CE1-CG 4.03Å; Y8-Q263 HydrophobicContact CE2-CB 4.38Å; Y8-Q263 HydrophobicContact CE2-CG 3.94Å; Y8-Q263 HydrophobicContact CG-CG 4.48Å; Y8-Q263 WeakPolarHBondContact O-CG 3.49Å; Y8-Q263 PolarHBondContact O-NE2 2.88Å; Y8-Q263 VanDerWaalsContact O-NE2 3.13Å; Y8-Q263 WeakPolarHBondContact OH-CB 3.49Å |
| 9 | F | 75 | Confident | 82.9 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 39.3 | 179.9 | -64.1 | -65.9 | 0 | 0 | 0 | 114.4 | L5 V6 I11 V37 L217 P261 F262 R264 V266 | L5-F9 HydrophobicContact CD1-CD2 3.71Å; L5-F9 HydrophobicContact CD1-CE2 3.64Å; L5-F9 HydrophobicContact CG-CD2 4.22Å; L5-F9 WeakPolarHBondContact O-CD2 3.3Å; L5-F9 PolarHBondContact O-N 3.17Å; V6-F9 CarbonylContact O-C 3.49Å; F9-I11 HydrophobicContact CB-CD1 3.99Å; F9-I11 HydrophobicContact CB-CG1 3.58Å; F9-I11 WeakPolarHBondContact O-CA 3.5Å; F9-I11 WeakPolarHBondContact O-CG1 3.23Å; F9-I11 PolarHBondContact O-N 3.28Å; F9-V37 HydrophobicContact CD2-CG1 3.82Å; F9-V37 HydrophobicContact CE2-CG1 4.26Å; F9-V37 HydrophobicContact CG-CG1 4.33Å; F9-L217 HydrophobicContact CD1-CD2 3.59Å; F9-L217 HydrophobicContact CE1-CD2 3.99Å; F9-L217 HydrophobicContact CG-CD2 4.41Å; F9-P261 HydrophobicContact CE1-CB 3.51Å; F9-P261 HydrophobicContact CE1-CG 3.93Å; F9-P261 HydrophobicContact CE2-CB 4.39Å; F9-P261 HydrophobicContact CE2-CG 3.9Å; F9-P261 HydrophobicContact CZ-CB 3.37Å; F9-P261 HydrophobicContact CZ-CG 3.22Å; F9-F262 VanDerWaalsContact CE1-O 3.25Å; F9-F262 WeakPolarHBondContact CE1-O 3.44Å; F9-R264 CarbonylContact C-O 3.56Å; F9-V266 PolarHBondContact O-N 2.89Å |
| 10 | P | 87.2 | Confident | 83.3 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -3.2 | 69.2 | -156.8 | -1.6 | -17.5 | 0 | 0 | 0 | 114.2 | V6 Y8 P265 | V6-P10 CarbonylContact O-C 3.3Å; V6-P10 WeakPolarHBondContact O-CA 3.46Å; Y8-P10 WeakPolarHBondContact O-CD 3.35Å; P10-P265 HydrophobicContact CB-CB 4.33Å; P10-P265 HydrophobicContact CG-CB 4.08Å |
| 11 | I | 90.3 | Very high | 83.6 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 133.5 | -167.5 | -53.6 | 178.4 | 0 | 0 | 0 | 107.4 | L5 V6 F9 V37 T48 V266 | L5-I11 HydrophobicContact CG-CD1 4.36Å; V6-I11 HydrophobicContact CB-CB 4.33Å; V6-I11 HydrophobicContact CG1-CB 4.13Å; V6-I11 WeakPolarHBondContact CG1-O 3.34Å; V6-I11 HydrophobicContact CG2-CB 4.17Å; V6-I11 HydrophobicContact CG2-CD1 4.27Å; V6-I11 PolarHBondContact O-N 2.96Å; F9-I11 HydrophobicContact CB-CD1 3.99Å; F9-I11 HydrophobicContact CB-CG1 3.58Å; F9-I11 WeakPolarHBondContact O-CA 3.5Å; F9-I11 WeakPolarHBondContact O-CG1 3.23Å; F9-I11 PolarHBondContact O-N 3.28Å; I11-V37 HydrophobicContact CD1-CG1 4Å; I11-T48 HydrophobicContact CB-CG2 4.13Å; I11-T48 HydrophobicContact CG2-CG2 3.97Å; I11-T48 WeakPolarHBondContact O-CG2 3.47Å; I11-V266 CarbonylContact C-O 3.59Å; I11-V266 VanDerWaalsContact CA-O 3.28Å; I11-V266 WeakPolarHBondContact CA-O 3.31Å; I11-V266 HydrophobicContact CG1-CB 4.49Å |
| 12 | S | 94.3 | Very high | 85.1 | Confident | 46 Ų | 46 | 59 Ų | 59 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 161.7 | 176.8 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | N42 V266 C267 T268 | S12-N42 PolarHBondContact O-ND2 3.08Å; S12-N42 PolarHBondContact O-OD1 2.87Å; S12-V266 PolarHBondContact N-O 3.18Å; S12-C267 WeakPolarHBondContact O-CA 3.48Å; S12-C267 WeakPolarHBondContact OG-CB 3.4Å; S12-C267 PolarHBondContact OG-SG 3.32Å; S12-T268 PolarHBondContact O-N 2.59Å |
| 13 | I | 95.3 | Very high | 85.9 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.5 | 174.2 | 177.7 | 169 | 0 | 0 | 0 | 109.3 | N42 F43 T48 F50 L53 F54 T268 V270 | I13-N42 HydrophobicContact CB-CB 4.32Å; I13-N42 HydrophobicContact CD1-CB 4.33Å; I13-F43 HydrophobicContact CD1-CE1 3.95Å; I13-F43 HydrophobicContact CD1-CZ 4.49Å; I13-T48 WeakPolarHBondContact CG2-OG1 3.45Å; I13-F50 HydrophobicContact CD1-CD2 3.64Å; I13-F50 HydrophobicContact CD1-CE2 4.17Å; I13-L53 HydrophobicContact CB-CD1 4.29Å; I13-L53 HydrophobicContact CG1-CD1 4.32Å; I13-L53 HydrophobicContact CG2-CD1 3.32Å; I13-F54 HydrophobicContact CD1-CE2 4.23Å; I13-T268 CarbonylContact C-O 3.49Å; I13-T268 VanDerWaalsContact CA-O 3.24Å; I13-T268 WeakPolarHBondContact CA-O 3.24Å; I13-V270 HydrophobicContact CD1-CG2 3.83Å; I13-V270 HydrophobicContact CG1-CG2 4.1Å |
| 14 | R | 95.2 | Very high | 86.9 | Confident | 122 Ų | 122 | 54 Ų | 54 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.6 | 175.2 | -67.4 | -176.6 | 178.8 | -178.5 | 1.2 | 109.2 | T268 V269 V270 | R14-T268 PolarHBondContact N-O 2.93Å; R14-V269 HydrophobicContact CB-CG2 4.43Å; R14-V269 WeakPolarHBondContact O-CA 3.37Å; R14-V270 PolarHBondContact O-N 3.01Å |
| 15 | K | 94.5 | Very high | 88.1 | Confident | 68 Ų | 68 | 45 Ų | 45 | 30% | 0.296 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.7 | 169.9 | 70.5 | 176.7 | 179 | 179 | 0 | 110.4 | E18 L53 F54 | K15-E18 WeakPolarHBondContact CE-OE1 3.17Å; K15-E18 IonicContact NZ-OE1 2.82Å; K15-E18 PolarHBondContact NZ-OE1 2.81Å; K15-E18 IonicContact NZ-OE2 2.87Å; K15-E18 PolarHBondContact NZ-OE2 3.47Å; K15-L53 WeakPolarHBondContact CD-O 3.35Å; K15-L53 HydrophobicContact CG-CD2 4.5Å; K15-L53 PolarHBondContact NZ-O 3.38Å; K15-F54 HydrophobicContact CB-CE1 3.66Å; K15-F54 HydrophobicContact CB-CE2 4.22Å; K15-F54 HydrophobicContact CB-CZ 3.35Å; K15-F54 HydrophobicContact CD-CD1 4.43Å; K15-F54 HydrophobicContact CD-CE1 3.98Å; K15-F54 HydrophobicContact CD-CZ 4.36Å; K15-F54 HydrophobicContact CG-CE1 4.5Å; K15-F54 HydrophobicContact CG-CZ 4.5Å |
| 16 | T | 94.8 | Very high | 89.2 | Confident | 57 Ų | 57 | 42.7 Ų | 42.7 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -105 | -11.4 | 172.2 | 69.4 | 0 | 0 | 0 | 0 | 113 | V269 V270 G271 L301 | T16-V269 HydrophobicContact CG2-CG1 3.53Å; T16-V270 PolarHBondContact N-O 2.86Å; T16-V270 PolarHBondContact OG1-O 3.18Å; T16-V270 VanDerWaalsContact OG1-O 3.08Å; T16-G271 VanDerWaalsContact OG1-CA 3.26Å; T16-G271 WeakPolarHBondContact OG1-CA 3.43Å; T16-L301 HydrophobicContact CG2-CD1 3.86Å |
| 17 | A | 92.6 | Very high | 90.2 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -150.6 | 157.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C272 | A17-C272 HydrophobicContact CB-CB 4.28Š|
| 18 | E | 92.8 | Very high | 91.2 | Very high | 129 Ų | 129 | 39.3 Ų | 39.3 | 60% | 0.603 | 21% | 0.21 | S | C | * | . | trans | -73.1 | 144.3 | 168.6 | -63.1 | -56.3 | 151.4 | 0 | 0 | 110.5 | K15 | K15-E18 WeakPolarHBondContact CE-OE1 3.17Å; K15-E18 IonicContact NZ-OE1 2.82Å; K15-E18 PolarHBondContact NZ-OE1 2.81Å; K15-E18 IonicContact NZ-OE2 2.87Å; K15-E18 PolarHBondContact NZ-OE2 3.47Å | ||
| 19 | L | 92.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | trans | -111.4 | 125.3 | 173 | -61.7 | -176.3 | 0 | 0 | 0 | 108.2 | P21 Y25 F54 I57 V207 P273 | L19-P21 WeakPolarHBondContact O-CD 3.37Å; L19-Y25 HydrophobicContact CB-CE1 4.32Å; L19-Y25 HydrophobicContact CB-CE2 3.92Å; L19-Y25 HydrophobicContact CD1-CD2 4.39Å; L19-Y25 HydrophobicContact CD1-CG 4.41Å; L19-Y25 HydrophobicContact CD2-CD1 4.15Å; L19-Y25 HydrophobicContact CD2-CE1 3.79Å; L19-Y25 HydrophobicContact CG-CE1 4.47Å; L19-F54 HydrophobicContact CB-CD1 4.03Å; L19-F54 HydrophobicContact CB-CE1 4.4Å; L19-F54 HydrophobicContact CD1-CD1 3.73Å; L19-F54 HydrophobicContact CD1-CE1 3.68Å; L19-F54 HydrophobicContact CD1-CG 4.37Å; L19-F54 HydrophobicContact CD1-CZ 4.27Å; L19-F54 HydrophobicContact CG-CD1 3.79Å; L19-F54 HydrophobicContact CG-CE1 3.68Å; L19-I57 HydrophobicContact CB-CD1 3.29Å; L19-I57 HydrophobicContact CD1-CD1 4.17Å; L19-I57 HydrophobicContact CG-CD1 4.37Å; L19-V207 HydrophobicContact CD2-CG2 4.41Å; L19-P273 HydrophobicContact CD2-CB 4.2Å; L19-P273 HydrophobicContact CD2-CG 4.02Å | ||
| 20 | N | 90.3 | Very high | 93.1 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 34% | 0.337 | 20% | 0.199 | S | C | . | . | trans | -65.3 | 119.4 | 175.8 | -175.3 | -12.3 | 0 | 0 | 0 | 110.4 | S22 E23 Y25 R200 | N20-S22 PolarHBondContact O-N 3.16Å; N20-S22 VanDerWaalsContact O-N 3.16Å; N20-S22 VanDerWaalsContact OD1-CB 3.25Å; N20-S22 WeakPolarHBondContact OD1-CB 3.36Å; N20-S22 PolarHBondContact OD1-N 3.18Å; N20-S22 PolarHBondContact OD1-OG 2.85Å; N20-E23 HydrophobicContact CB-CG 4.22Å; N20-E23 PolarHBondContact ND2-OE1 3.16Å; N20-E23 PolarHBondContact O-N 3.2Å; N20-E23 VanDerWaalsContact O-N 3.12Å; N20-Y25 WeakPolarHBondContact CA-OH 3.18Å; N20-Y25 PolarHBondContact N-OH 2.88Å; N20-Y25 WeakPolarHBondContact O-CE2 2.92Å; N20-Y25 PolarHBondContact O-OH 3.28Å; N20-R200 PolarHBondContact ND2-NH1 2.78Å | ||
| 21 | P | 90.2 | Very high | 93.5 | Very high | 58 Ų | 58 | 33.4 Ų | 33.4 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.6 | 179.4 | 28.3 | -35.5 | 0 | 0 | 0 | 113.5 | L19 E23 I57 G118 G119 | L19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-E23 PolarHBondContact O-N 2.66Å; P21-I57 HydrophobicContact CB-CG1 4.23Å; P21-G118 CarbonylContact O-C 3.54Å; P21-G119 VanDerWaalsContact O-CA 3.24Å; P21-G119 WeakPolarHBondContact O-CA 3.05Å; P21-G119 PolarHBondContact O-N 3.07Å |
| 22 | S | 86.5 | Confident | 93.5 | Very high | 69 Ų | 69 | 35 Ų | 35 | 48% | 0.483 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.7 | 174 | -50.7 | 0 | 0 | 0 | 0 | 113.2 | N20 | N20-S22 PolarHBondContact O-N 3.16Å; N20-S22 VanDerWaalsContact O-N 3.16Å; N20-S22 VanDerWaalsContact OD1-CB 3.25Å; N20-S22 WeakPolarHBondContact OD1-CB 3.36Å; N20-S22 PolarHBondContact OD1-N 3.18Å; N20-S22 PolarHBondContact OD1-OG 2.85Å |
| 23 | E | 89.4 | Confident | 93.1 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -120.4 | 161.1 | -177.2 | -58.6 | -173.3 | -164.8 | 0 | 0 | 111.2 | N20 P21 Y25 G119 R200 | N20-E23 HydrophobicContact CB-CG 4.22Å; N20-E23 PolarHBondContact ND2-OE1 3.16Å; N20-E23 PolarHBondContact O-N 3.2Å; N20-E23 VanDerWaalsContact O-N 3.12Å; P21-E23 PolarHBondContact O-N 2.66Å; E23-Y25 HydrophobicContact CB-CE2 4.23Å; E23-Y25 WeakPolarHBondContact O-CE2 3.07Å; E23-G119 PolarHBondContact O-N 3.27Å; E23-R200 IonicContact OE1-CZ 2.68Å; E23-R200 VanDerWaalsContact OE1-CZ 3.25Å; E23-R200 IonicContact OE1-NH1 2.62Å; E23-R200 PolarHBondContact OE1-NH1 2.86Å; E23-R200 IonicContact OE1-NH2 3.31Å; E23-R200 PolarHBondContact OE1-NH2 2.93Å |
| 24 | N | 92.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 153 | 174.4 | -66.5 | -43 | 0 | 0 | 0 | 109.7 | I113 R115 G118 G119 N120 S203 V204 A205 | N24-I113 WeakPolarHBondContact CB-O 3.42Å; N24-I113 PolarHBondContact ND2-O 2.97Å; N24-R115 PolarHBondContact ND2-O 3.08Å; N24-R115 VanDerWaalsContact ND2-O 3.08Å; N24-G118 VanDerWaalsContact OD1-CA 3.25Å; N24-G118 WeakPolarHBondContact OD1-CA 3.45Å; N24-G119 PolarHBondContact OD1-N 3.34Å; N24-N120 CarbonylContact C-O 3.43Å; N24-N120 VanDerWaalsContact CA-O 3.28Å; N24-N120 WeakPolarHBondContact CA-O 3.39Å; N24-N120 WeakPolarHBondContact OD1-CB 3.1Å; N24-N120 PolarHBondContact OD1-N 3.47Å; N24-N120 VanDerWaalsContact OD1-N 3.08Å; N24-N120 PolarHBondContact OD1-ND2 3.46Å; N24-S203 PolarHBondContact N-O 3.16Å; N24-V204 HydrophobicContact CB-CG2 4.3Å; N24-V204 WeakPolarHBondContact O-CA 3.41Å; N24-A205 PolarHBondContact O-N 2.9Å |
| 25 | Y | 95 | Very high | 91.9 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.2 | -175.2 | -58.7 | -82.5 | 0 | 0 | 0 | 110.9 | L19 N20 E23 I57 N120 A121 V122 A205 V207 P273 | L19-Y25 HydrophobicContact CB-CE1 4.32Å; L19-Y25 HydrophobicContact CB-CE2 3.92Å; L19-Y25 HydrophobicContact CD1-CD2 4.39Å; L19-Y25 HydrophobicContact CD1-CG 4.41Å; L19-Y25 HydrophobicContact CD2-CD1 4.15Å; L19-Y25 HydrophobicContact CD2-CE1 3.79Å; L19-Y25 HydrophobicContact CG-CE1 4.47Å; N20-Y25 WeakPolarHBondContact CA-OH 3.18Å; N20-Y25 PolarHBondContact N-OH 2.88Å; N20-Y25 WeakPolarHBondContact O-CE2 2.92Å; N20-Y25 PolarHBondContact O-OH 3.28Å; E23-Y25 HydrophobicContact CB-CE2 4.23Å; E23-Y25 WeakPolarHBondContact O-CE2 3.07Å; Y25-I57 HydrophobicContact CD2-CD1 4.24Å; Y25-I57 HydrophobicContact CE2-CD1 3.79Å; Y25-N120 PolarHBondContact N-O 2.84Å; Y25-A121 CarbonylContact O-C 3.55Å; Y25-A121 WeakPolarHBondContact O-CA 3.38Å; Y25-V122 PolarHBondContact O-N 3.44Å; Y25-A205 WeakPolarHBondContact CA-O 3.38Å; Y25-A205 HydrophobicContact CD1-CB 3.99Å; Y25-A205 HydrophobicContact CE1-CB 4.11Å; Y25-V207 HydrophobicContact CD1-CG2 3.63Å; Y25-V207 HydrophobicContact CG-CG2 4.2Å; Y25-P273 HydrophobicContact CD1-CB 4.42Å; Y25-P273 HydrophobicContact CE1-CB 4.04Å |
| 26 | L | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 94.3 | 163.7 | -170.8 | 64.5 | 0 | 0 | 0 | 107.8 | V28 V109 V122 I124 F150 V153 A154 V204 A205 L206 V207 | L26-V28 HydrophobicContact CG-CG2 4.35Å; L26-V109 HydrophobicContact CD1-CG1 4.05Å; L26-V122 CarbonylContact C-O 3.54Å; L26-V122 WeakPolarHBondContact CA-O 3.49Å; L26-V122 HydrophobicContact CD1-CB 4.04Å; L26-V122 HydrophobicContact CD1-CG1 4.09Å; L26-I124 HydrophobicContact CD1-CD1 3.67Å; L26-I124 HydrophobicContact CD1-CG1 3.97Å; L26-I124 HydrophobicContact CD2-CD1 4.41Å; L26-I124 HydrophobicContact CG-CD1 4.39Å; L26-F150 HydrophobicContact CD2-CB 4.03Å; L26-V153 HydrophobicContact CD2-CB 4.49Å; L26-V153 HydrophobicContact CD2-CG1 4.37Å; L26-A154 HydrophobicContact CD2-CB 4.49Å; L26-V204 HydrophobicContact CB-CG1 4.02Å; L26-A205 PolarHBondContact N-O 3.42Å; L26-L206 HydrophobicContact CB-CD2 4.16Å; L26-L206 HydrophobicContact CD2-CD2 3.93Å; L26-L206 HydrophobicContact CG-CD2 4.3Å; L26-V207 PolarHBondContact O-N 2.68Å |
| 27 | I | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 128.6 | 175.8 | -52.6 | -176.3 | 0 | 0 | 0 | 107.8 | F43 F50 A121 V122 V123 I124 V207 | I27-F43 HydrophobicContact CD1-CE1 4.28Å; I27-F43 HydrophobicContact CG2-CE1 4.45Å; I27-F43 HydrophobicContact CG2-CZ 4.28Å; I27-F50 HydrophobicContact CD1-CE2 4.41Å; I27-F50 HydrophobicContact CD1-CZ 4.4Å; I27-A121 HydrophobicContact CD1-CB 3.8Å; I27-A121 HydrophobicContact CG1-CB 4.2Å; I27-V122 PolarHBondContact N-O 3.46Å; I27-V123 HydrophobicContact CB-CB 4.43Å; I27-V123 HydrophobicContact CB-CG1 4.25Å; I27-V123 HydrophobicContact CB-CG2 4.04Å; I27-V123 HydrophobicContact CD1-CG2 4.27Å; I27-V123 HydrophobicContact CG1-CG2 4.48Å; I27-V123 HydrophobicContact CG2-CG1 4.23Å; I27-V123 CarbonylContact O-C 3.6Å; I27-V123 VanDerWaalsContact O-CA 3.25Å; I27-V123 WeakPolarHBondContact O-CA 3.39Å; I27-I124 PolarHBondContact O-N 3.37Å; I27-V207 WeakPolarHBondContact CA-O 3.24Å; I27-V207 HydrophobicContact CB-CB 4.41Å; I27-V207 HydrophobicContact CG1-CB 4.02Å; I27-V207 HydrophobicContact CG1-CG2 4.35Å |
| 28 | V | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 107.9 | 179.3 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | L26 H30 I124 A126 F150 L206 V207 S209 Y294 | L26-V28 HydrophobicContact CG-CG2 4.35Å; V28-H30 WeakPolarHBondContact CG1-NE2 3.16Å; V28-H30 PolarHBondContact O-CD2 3.31Å; V28-I124 CarbonylContact C-O 3.47Å; V28-I124 VanDerWaalsContact CA-O 3.27Å; V28-I124 WeakPolarHBondContact CA-O 3.37Å; V28-A126 HydrophobicContact CG1-CB 3.7Å; V28-F150 HydrophobicContact CG1-CD1 4.42Å; V28-F150 HydrophobicContact CG1-CE1 4.43Å; V28-F150 HydrophobicContact CG1-CG 4.48Å; V28-F150 HydrophobicContact CG2-CB 4.25Å; V28-F150 HydrophobicContact CG2-CD2 3.68Å; V28-F150 HydrophobicContact CG2-CE2 4.17Å; V28-F150 HydrophobicContact CG2-CG 3.97Å; V28-L206 HydrophobicContact CG2-CD2 4.43Å; V28-V207 PolarHBondContact N-O 3.03Å; V28-S209 PolarHBondContact O-N 3.48Å; V28-Y294 HydrophobicContact CB-CE2 4.12Å; V28-Y294 WeakPolarHBondContact CB-OH 3.45Å; V28-Y294 WeakPolarHBondContact CG1-OH 3.37Å; V28-Y294 HydrophobicContact CG2-CE2 4.5Å; V28-Y294 PolarHBondContact O-OH 2.9Å; V28-Y294 VanDerWaalsContact O-OH 3.12Å |
| 29 | N | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.2 | -174.7 | -168.3 | 82.5 | 0 | 0 | 0 | 111.9 | F43 V123 I124 V125 S209 S211 T268 | N29-F43 HydrophobicContact CB-CE2 4.21Å; N29-F43 WeakPolarHBondContact OD1-CE2 3.31Å; N29-V123 HydrophobicContact CB-CG1 4.24Å; N29-I124 PolarHBondContact N-O 2.85Å; N29-V125 HydrophobicContact CB-CG2 4.47Å; N29-V125 WeakPolarHBondContact O-CA 3.45Å; N29-S209 CarbonylContact C-O 3.35Å; N29-S209 WeakPolarHBondContact CA-O 3.25Å; N29-S209 PolarHBondContact OD1-OG 3.03Å; N29-S211 PolarHBondContact ND2-OG 3.42Å; N29-S211 PolarHBondContact OD1-OG 3.11Å; N29-T268 VanDerWaalsContact OD1-CG2 3.32Å; N29-T268 WeakPolarHBondContact OD1-CG2 3.37Å |
| 30 | H | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 156.4 | 178.4 | -56.9 | -88.2 | 0 | 0 | 0 | 110.9 | V28 I142 S209 Y210 S211 Y294 | V28-H30 WeakPolarHBondContact CG1-NE2 3.16Å; V28-H30 PolarHBondContact O-CD2 3.31Å; H30-I142 HydrophobicContact CB-CD1 4.29Å; H30-I142 HydrophobicContact CB-CG2 4.24Å; H30-S209 PolarHBondContact N-O 2.65Å; H30-Y210 HydrophobicContact CB-CD2 4.11Å; H30-Y210 CarbonylContact O-C 3.35Å; H30-Y210 WeakPolarHBondContact O-CA 3.35Å; H30-S211 PolarHBondContact O-N 2.96Å; H30-Y294 PolarHBondContact CD2-OH 3.06Å; H30-Y294 AromaticContact NE2-CE1 3.78Å; H30-Y294 AromaticContact NE2-CZ 3.73Å; H30-Y294 PolarHBondContact NE2-OH 2.79Å |
| 31 | P | 95.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.013 | 10% | 0.103 | C | C | . | . | cis | -67.7 | 165 | -23.6 | 30.6 | -29.2 | 0 | 0 | 0 | 109.9 | G33 E131 I142 S211 E214 V215 | P31-G33 VanDerWaalsContact C-N 3.29Å; P31-E131 VanDerWaalsContact CA-OE1 3.23Å; P31-E131 WeakPolarHBondContact CA-OE1 3.13Å; P31-E131 VanDerWaalsContact CB-OE1 3.3Å; P31-E131 WeakPolarHBondContact CB-OE1 3.37Å; P31-I142 HydrophobicContact CB-CG2 3.93Å; P31-S211 WeakPolarHBondContact CD-O 3.33Å; P31-E214 HydrophobicContact CG-CB 4.02Å; P31-E214 HydrophobicContact CG-CG 4.25Å; P31-V215 HydrophobicContact CB-CG1 4.29Å; P31-V215 HydrophobicContact CG-CG1 3.67Å | ||
| 32 | H | 90.1 | Very high | 90.7 | Very high | 43 Ų | 43 | 15.7 Ų | 15.7 | 20% | 0.199 | 9% | 0.085 | C | C | . | . | trans | -63.6 | -37.8 | 161.9 | -171 | -78.1 | 0 | 0 | 0 | 111.5 | S36 V125 E131 | H32-S36 WeakPolarHBondContact CA-OG 3.15Å; H32-S36 PolarHBondContact CD2-OG 3.42Å; H32-S36 VanDerWaalsContact CG-OG 3.26Å; H32-S36 PolarHBondContact ND1-OG 3.33Å; H32-S36 WeakPolarHBondContact O-CA 3.44Å; H32-S36 WeakPolarHBondContact O-CB 3.33Å; H32-S36 PolarHBondContact O-N 3.03Å; H32-S36 PolarHBondContact O-OG 2.81Å; H32-V125 HydrophobicContact CB-CG1 3.47Å; H32-V125 VanDerWaalsContact CB-CG1 3.47Å; H32-V125 WeakPolarHBondContact CD2-CG1 3.49Å; H32-E131 WeakPolarHBondContact CB-OE1 3.42Å; H32-E131 PolarHBondContact N-OE1 3.23Å | ||
| 33 | G | 85.7 | Confident | 90.9 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -152.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P31 A132 | P31-G33 VanDerWaalsContact C-N 3.29Å; G33-A132 WeakPolarHBondContact O-CA 3.44Å; G33-A132 WeakPolarHBondContact O-CB 3.33Å |
| 34 | I | 83.5 | Confident | 90.7 | Very high | 13 Ų | 13 | 11.3 Ų | 11.3 | 7% | 0.067 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -44.6 | 179.5 | -66.9 | 173.5 | 0 | 0 | 0 | 111.6 | F218 Q220 P245 F247 | I34-F218 HydrophobicContact CB-CB 4.45Å; I34-F218 HydrophobicContact CB-CD2 3.89Å; I34-F218 HydrophobicContact CB-CE2 4.46Å; I34-F218 HydrophobicContact CB-CG 4.38Å; I34-F218 HydrophobicContact CD1-CB 3.37Å; I34-F218 HydrophobicContact CD1-CD2 4.44Å; I34-F218 HydrophobicContact CD1-CG 4.12Å; I34-F218 HydrophobicContact CG1-CB 4.35Å; I34-F218 HydrophobicContact CG2-CD2 4.24Å; I34-Q220 HydrophobicContact CD1-CB 4.46Å; I34-P245 HydrophobicContact CG1-CG 4.34Å; I34-P245 HydrophobicContact CG2-CG 4.18Å; I34-F247 HydrophobicContact CD1-CB 3.46Å; I34-F247 VanDerWaalsContact CD1-CB 3.46Å; I34-F247 HydrophobicContact CD1-CD1 4.27Å; I34-F247 HydrophobicContact CD1-CG 3.93Å; I34-F247 HydrophobicContact CG2-CD1 3.38Å; I34-F247 HydrophobicContact CG2-CD2 4.23Å; I34-F247 HydrophobicContact CG2-CE1 3.48Å; I34-F247 VanDerWaalsContact CG2-CE1 3.48Å; I34-F247 HydrophobicContact CG2-CE2 4.3Å; I34-F247 HydrophobicContact CG2-CG 3.79Å; I34-F247 HydrophobicContact CG2-CZ 3.95Å |
| 35 | L | 81 | Confident | 90.1 | Very high | 100 Ų | 100 | 11.3 Ų | 11.3 | 52% | 0.524 | 6% | 0.057 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 3.1 | -176 | -64.4 | -175.9 | 0 | 0 | 0 | 115.6 | V37 F218 | L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 HydrophobicContact CB-CG2 4.03Å; L35-V37 PolarHBondContact O-N 3.42Å; L35-F218 HydrophobicContact CB-CE2 4.17Å; L35-F218 HydrophobicContact CD1-CE2 3.78Å; L35-F218 HydrophobicContact CD1-CZ 3.55Å; L35-F218 HydrophobicContact CG-CE2 3.89Å; L35-F218 HydrophobicContact CG-CZ 4.12Å |
| 36 | S | 87.6 | Confident | 89.5 | Confident | 10 Ų | 10 | 13.9 Ų | 13.9 | 7% | 0.07 | 7% | 0.071 | C | C | . | . | trans | 49.1 | 46.2 | -178.7 | -54.7 | 0 | 0 | 0 | 0 | 113.7 | H32 G38 A39 F40 E214 | H32-S36 WeakPolarHBondContact CA-OG 3.15Å; H32-S36 PolarHBondContact CD2-OG 3.42Å; H32-S36 VanDerWaalsContact CG-OG 3.26Å; H32-S36 PolarHBondContact ND1-OG 3.33Å; H32-S36 WeakPolarHBondContact O-CA 3.44Å; H32-S36 WeakPolarHBondContact O-CB 3.33Å; H32-S36 PolarHBondContact O-N 3.03Å; H32-S36 PolarHBondContact O-OG 2.81Å; S36-G38 VanDerWaalsContact C-N 3.29Å; S36-G38 PolarHBondContact O-N 3.23Å; S36-A39 PolarHBondContact O-N 3.03Å; S36-F40 PolarHBondContact O-N 3.35Å; S36-E214 VanDerWaalsContact C-OE1 3.29Å; S36-E214 WeakPolarHBondContact CA-OE1 3.47Å; S36-E214 PolarHBondContact N-OE1 2.78Å | ||
| 37 | V | 87.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 15 Ų | 15 | 7% | 0.067 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | -174.4 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | L5 F9 I11 L35 F40 G41 E214 L217 | L5-V37 HydrophobicContact CD1-CG1 4.41Å; F9-V37 HydrophobicContact CD2-CG1 3.82Å; F9-V37 HydrophobicContact CE2-CG1 4.26Å; F9-V37 HydrophobicContact CG-CG1 4.33Å; I11-V37 HydrophobicContact CD1-CG1 4Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 HydrophobicContact CB-CG2 4.03Å; L35-V37 PolarHBondContact O-N 3.42Å; V37-F40 PolarHBondContact O-N 3.27Å; V37-G41 PolarHBondContact O-N 3.21Å; V37-E214 PolarHBondContact N-OE1 2.75Å; V37-L217 HydrophobicContact CB-CD1 3.6Å; V37-L217 HydrophobicContact CG1-CD1 4.34Å; V37-L217 HydrophobicContact CG2-CD1 3.68Å |
| 38 | G | 89.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S36 F40 G41 N42 E214 | S36-G38 VanDerWaalsContact C-N 3.29Å; S36-G38 PolarHBondContact O-N 3.23Å; G38-F40 VanDerWaalsContact C-N 3.33Å; G38-F40 PolarHBondContact O-N 3.23Å; G38-G41 PolarHBondContact O-N 3.46Å; G38-N42 VanDerWaalsContact O-CB 3.24Å; G38-N42 WeakPolarHBondContact O-CB 3.4Å; G38-N42 PolarHBondContact O-N 2.72Å; G38-N42 PolarHBondContact O-ND2 3.39Å; G38-N42 VanDerWaalsContact O-ND2 3.16Å; G38-E214 VanDerWaalsContact CA-OE2 3.31Å; G38-E214 WeakPolarHBondContact CA-OE2 3.41Å; G38-E214 PolarHBondContact N-OE2 3.18Å |
| 39 | A | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S36 F43 L61 V125 | S36-A39 PolarHBondContact O-N 3.03Å; A39-F43 HydrophobicContact CB-CD2 4.05Å; A39-F43 HydrophobicContact CB-CE2 4.44Å; A39-F43 WeakPolarHBondContact O-CB 3.28Å; A39-F43 WeakPolarHBondContact O-CD2 3.3Å; A39-F43 PolarHBondContact O-N 2.84Å; A39-L61 HydrophobicContact CB-CD1 4.15Å; A39-V125 HydrophobicContact CB-CG2 4.01Å |
| 40 | F | 88.5 | Confident | 87.6 | Confident | 53 Ų | 53 | 18.7 Ų | 18.7 | 23% | 0.232 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -62.3 | -52.3 | 174.8 | -172.3 | -79.2 | 0 | 0 | 0 | 111.1 | F2 L5 S36 V37 G38 N42 L44 T45 L61 L80 | F2-F40 AromaticContact CD1-CE1 3.7Å; F2-F40 HydrophobicContact CD1-CE1 3.7Å; F2-F40 HydrophobicContact CD1-CZ 4.46Å; F2-F40 AromaticContact CE1-CE1 3.45Å; F2-F40 HydrophobicContact CE1-CE1 3.45Å; F2-F40 VanDerWaalsContact CE1-CE1 3.45Å; F2-F40 AromaticContact CE1-CZ 3.76Å; F2-F40 HydrophobicContact CE1-CZ 3.76Å; F2-F40 HydrophobicContact CZ-CE1 4.48Å; L5-F40 HydrophobicContact CD2-CD1 3.89Å; L5-F40 HydrophobicContact CD2-CE1 4.17Å; S36-F40 PolarHBondContact O-N 3.35Å; V37-F40 PolarHBondContact O-N 3.27Å; G38-F40 VanDerWaalsContact C-N 3.33Å; G38-F40 PolarHBondContact O-N 3.23Å; F40-N42 VanDerWaalsContact C-N 3.34Å; F40-N42 PolarHBondContact O-N 3.03Å; F40-L44 HydrophobicContact CD1-CD2 4.4Å; F40-L44 HydrophobicContact CD2-CD2 3.41Å; F40-L44 VanDerWaalsContact CD2-CD2 3.41Å; F40-L44 HydrophobicContact CE1-CD2 4.14Å; F40-L44 HydrophobicContact CE2-CD2 3.12Å; F40-L44 HydrophobicContact CE2-CG 4.48Å; F40-L44 HydrophobicContact CG-CD2 4.06Å; F40-L44 HydrophobicContact CZ-CD2 3.51Å; F40-L44 VanDerWaalsContact O-CB 3.31Å; F40-L44 WeakPolarHBondContact O-CB 3.43Å; F40-L44 PolarHBondContact O-N 3.21Å; F40-T45 HydrophobicContact CD1-CG2 4.13Å; F40-T45 HydrophobicContact CE1-CG2 3.83Å; F40-T45 PolarHBondContact O-N 3.1Å; F40-L61 HydrophobicContact CB-CD2 4.4Å; F40-L80 HydrophobicContact CZ-CD1 4.3Å |
| 41 | G | 87.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -62.8 | -37 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V37 G38 T45 | V37-G41 PolarHBondContact O-N 3.21Å; G38-G41 PolarHBondContact O-N 3.46Å; G41-T45 PolarHBondContact O-OG1 2.86Å |
| 42 | N | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -90.3 | -36 | -174.3 | -72.7 | -42.2 | 0 | 0 | 0 | 115.1 | S12 I13 G38 F40 T48 F50 T268 | S12-N42 PolarHBondContact O-ND2 3.08Å; S12-N42 PolarHBondContact O-OD1 2.87Å; I13-N42 HydrophobicContact CB-CB 4.32Å; I13-N42 HydrophobicContact CD1-CB 4.33Å; G38-N42 VanDerWaalsContact O-CB 3.24Å; G38-N42 WeakPolarHBondContact O-CB 3.4Å; G38-N42 PolarHBondContact O-N 2.72Å; G38-N42 PolarHBondContact O-ND2 3.39Å; G38-N42 VanDerWaalsContact O-ND2 3.16Å; F40-N42 VanDerWaalsContact C-N 3.34Å; F40-N42 PolarHBondContact O-N 3.03Å; N42-T48 WeakPolarHBondContact CA-OG1 3.32Å; N42-T48 VanDerWaalsContact OD1-CB 3.28Å; N42-T48 WeakPolarHBondContact OD1-CB 3.15Å; N42-T48 WeakPolarHBondContact OD1-CG2 3.33Å; N42-T48 PolarHBondContact OD1-OG1 2.8Å; N42-F50 WeakPolarHBondContact O-CB 3.22Å; N42-T268 WeakPolarHBondContact ND2-CB 3.44Å; N42-T268 PolarHBondContact ND2-OG1 3.45Å |
| 43 | F | 91.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -112.5 | -29.8 | -170.4 | -56 | -65.1 | 0 | 0 | 0 | 113.7 | I13 I27 N29 A39 F50 S59 L61 V123 T268 V270 | I13-F43 HydrophobicContact CD1-CE1 3.95Å; I13-F43 HydrophobicContact CD1-CZ 4.49Å; I27-F43 HydrophobicContact CD1-CE1 4.28Å; I27-F43 HydrophobicContact CG2-CE1 4.45Å; I27-F43 HydrophobicContact CG2-CZ 4.28Å; N29-F43 HydrophobicContact CB-CE2 4.21Å; N29-F43 WeakPolarHBondContact OD1-CE2 3.31Å; A39-F43 HydrophobicContact CB-CD2 4.05Å; A39-F43 HydrophobicContact CB-CE2 4.44Å; A39-F43 WeakPolarHBondContact O-CB 3.28Å; A39-F43 WeakPolarHBondContact O-CD2 3.3Å; A39-F43 PolarHBondContact O-N 2.84Å; F43-F50 AromaticContact CD1-CD2 3.83Å; F43-F50 HydrophobicContact CD1-CD2 3.83Å; F43-F50 AromaticContact CD1-CE2 3.72Å; F43-F50 HydrophobicContact CD1-CE2 3.72Å; F43-F50 HydrophobicContact CE1-CD2 4.12Å; F43-F50 AromaticContact CE1-CE2 3.84Å; F43-F50 HydrophobicContact CE1-CE2 3.84Å; F43-S59 WeakPolarHBondContact O-CB 3.42Å; F43-S59 PolarHBondContact O-OG 3Å; F43-L61 HydrophobicContact CB-CB 4.49Å; F43-V123 HydrophobicContact CB-CB 4.24Å; F43-V123 HydrophobicContact CB-CG1 4.34Å; F43-V123 HydrophobicContact CB-CG2 3.76Å; F43-V123 HydrophobicContact CD1-CG2 3.85Å; F43-V123 HydrophobicContact CD2-CB 4.43Å; F43-V123 HydrophobicContact CD2-CG1 3.64Å; F43-V123 HydrophobicContact CD2-CG2 4.33Å; F43-V123 HydrophobicContact CE2-CG1 3.97Å; F43-V123 HydrophobicContact CG-CB 4.26Å; F43-V123 HydrophobicContact CG-CG1 3.93Å; F43-V123 HydrophobicContact CG-CG2 3.73Å; F43-T268 HydrophobicContact CE2-CG2 3.89Å; F43-T268 HydrophobicContact CZ-CG2 3.71Å; F43-V270 HydrophobicContact CE1-CG2 4.05Å; F43-V270 HydrophobicContact CZ-CG2 4.04Å |
| 44 | L | 86.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -83.1 | -37.2 | 175.5 | 178.4 | 64.6 | 0 | 0 | 0 | 111.3 | F40 L61 L80 S99 G100 A101 | F40-L44 HydrophobicContact CD1-CD2 4.4Å; F40-L44 HydrophobicContact CD2-CD2 3.41Å; F40-L44 VanDerWaalsContact CD2-CD2 3.41Å; F40-L44 HydrophobicContact CE1-CD2 4.14Å; F40-L44 HydrophobicContact CE2-CD2 3.12Å; F40-L44 HydrophobicContact CE2-CG 4.48Å; F40-L44 HydrophobicContact CG-CD2 4.06Å; F40-L44 HydrophobicContact CZ-CD2 3.51Å; F40-L44 VanDerWaalsContact O-CB 3.31Å; F40-L44 WeakPolarHBondContact O-CB 3.43Å; F40-L44 PolarHBondContact O-N 3.21Å; L44-L61 HydrophobicContact CB-CB 3.94Å; L44-L61 HydrophobicContact CB-CD2 3.77Å; L44-L61 HydrophobicContact CD1-CB 4.41Å; L44-L80 HydrophobicContact CD2-CD1 4.38Å; L44-S99 WeakPolarHBondContact O-CB 3.23Å; L44-G100 WeakPolarHBondContact CD1-O 3.33Å; L44-A101 HydrophobicContact CD1-CB 3.62Å |
| 45 | T | 78.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -111.7 | 132.6 | -176.5 | 76.2 | 0 | 0 | 0 | 0 | 108.5 | F2 F40 G41 A47 | F2-T45 HydrophobicContact CB-CG2 4Å; F2-T45 HydrophobicContact CD1-CG2 3.56Å; F2-T45 HydrophobicContact CD2-CG2 3.91Å; F2-T45 HydrophobicContact CE1-CG2 4Å; F2-T45 HydrophobicContact CE2-CG2 4.33Å; F2-T45 HydrophobicContact CG-CG2 3.49Å; F2-T45 VanDerWaalsContact CG-CG2 3.49Å; F2-T45 HydrophobicContact CZ-CG2 4.36Å; F40-T45 HydrophobicContact CD1-CG2 4.13Å; F40-T45 HydrophobicContact CE1-CG2 3.83Å; F40-T45 PolarHBondContact O-N 3.1Å; G41-T45 PolarHBondContact O-OG1 2.86Å; T45-A47 PolarHBondContact O-N 2.89Å; T45-A47 WeakPolarHBondContact OG1-CB 3.39Å |
| 46 | D | 82.1 | Confident | 88.5 | Confident | 57 Ų | 57 | 25.6 Ų | 25.6 | 31% | 0.305 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -75.4 | 20.9 | 174.3 | -157.8 | 27.6 | 0 | 0 | 0 | 112.3 | T48 S49 F50 S51 | D46-T48 VanDerWaalsContact C-N 3.26Å; D46-T48 PolarHBondContact O-N 2.68Å; D46-S49 PolarHBondContact O-N 3.18Å; D46-S49 VanDerWaalsContact O-N 3.09Å; D46-F50 PolarHBondContact OD1-N 3.12Å; D46-S51 VanDerWaalsContact CG-OG 3.26Å; D46-S51 WeakPolarHBondContact OD1-CB 3.19Å; D46-S51 PolarHBondContact OD1-N 2.77Å; D46-S51 PolarHBondContact OD1-OG 2.76Å; D46-S51 VanDerWaalsContact OD2-CB 3.3Å; D46-S51 WeakPolarHBondContact OD2-CB 3.17Å; D46-S51 PolarHBondContact OD2-OG 3.38Å |
| 47 | A | 81.6 | Confident | 88.7 | Confident | 23 Ų | 23 | 25.2 Ų | 25.2 | 19% | 0.19 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -72.1 | -17.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | F2 N3 V6 T45 | F2-A47 HydrophobicContact CB-CB 3.92Å; N3-A47 WeakPolarHBondContact OD1-CB 3.45Å; V6-A47 HydrophobicContact CB-CB 4.5Å; V6-A47 HydrophobicContact CG2-CB 3.58Å; T45-A47 PolarHBondContact O-N 2.89Å; T45-A47 WeakPolarHBondContact OG1-CB 3.39Å |
| 48 | T | 86.4 | Confident | 88.9 | Confident | 18 Ų | 18 | 29.5 Ų | 29.5 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -107.4 | 17.3 | 171.8 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | V6 I11 I13 N42 D46 | V6-T48 HydrophobicContact CB-CG2 4.4Å; V6-T48 HydrophobicContact CG1-CG2 3.72Å; V6-T48 HydrophobicContact CG2-CG2 3.72Å; I11-T48 HydrophobicContact CB-CG2 4.13Å; I11-T48 HydrophobicContact CG2-CG2 3.97Å; I11-T48 WeakPolarHBondContact O-CG2 3.47Å; I13-T48 WeakPolarHBondContact CG2-OG1 3.45Å; N42-T48 WeakPolarHBondContact CA-OG1 3.32Å; N42-T48 VanDerWaalsContact OD1-CB 3.28Å; N42-T48 WeakPolarHBondContact OD1-CB 3.15Å; N42-T48 WeakPolarHBondContact OD1-CG2 3.33Å; N42-T48 PolarHBondContact OD1-OG1 2.8Å; D46-T48 VanDerWaalsContact C-N 3.26Å; D46-T48 PolarHBondContact O-N 2.68Å |
| 49 | S | 87.4 | Confident | 89 | Confident | 60 Ų | 60 | 29.5 Ų | 29.5 | 42% | 0.42 | 18% | 0.183 | S | C | . | . | trans | 61.6 | 45.3 | 175.7 | -51.5 | 0 | 0 | 0 | 0 | 113.5 | D46 S51 S52 L53 | D46-S49 PolarHBondContact O-N 3.18Å; D46-S49 VanDerWaalsContact O-N 3.09Å; S49-S51 VanDerWaalsContact C-N 3.26Å; S49-S51 PolarHBondContact O-N 3.37Å; S49-S52 PolarHBondContact O-N 3.21Å; S49-L53 PolarHBondContact O-N 3.15Å | ||
| 50 | F | 91.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.5 | -44.2 | 174.2 | 178.1 | -84 | 0 | 0 | 0 | 110.9 | I13 I27 N42 F43 D46 S52 L53 F54 I57 A121 | I13-F50 HydrophobicContact CD1-CD2 3.64Å; I13-F50 HydrophobicContact CD1-CE2 4.17Å; I27-F50 HydrophobicContact CD1-CE2 4.41Å; I27-F50 HydrophobicContact CD1-CZ 4.4Å; N42-F50 WeakPolarHBondContact O-CB 3.22Å; F43-F50 AromaticContact CD1-CD2 3.83Å; F43-F50 HydrophobicContact CD1-CD2 3.83Å; F43-F50 AromaticContact CD1-CE2 3.72Å; F43-F50 HydrophobicContact CD1-CE2 3.72Å; F43-F50 HydrophobicContact CE1-CD2 4.12Å; F43-F50 AromaticContact CE1-CE2 3.84Å; F43-F50 HydrophobicContact CE1-CE2 3.84Å; D46-F50 PolarHBondContact OD1-N 3.12Å; F50-S52 VanDerWaalsContact C-N 3.28Å; F50-S52 PolarHBondContact O-N 3.39Å; F50-L53 PolarHBondContact O-N 3.13Å; F50-L53 VanDerWaalsContact O-N 3.13Å; F50-F54 HydrophobicContact CD1-CD2 4.42Å; F50-F54 AromaticContact CD2-CD2 3.84Å; F50-F54 HydrophobicContact CD2-CD2 3.84Å; F50-F54 HydrophobicContact CD2-CE2 4.17Å; F50-F54 HydrophobicContact CE1-CB 4.15Å; F50-F54 HydrophobicContact CE1-CD2 4.09Å; F50-F54 AromaticContact CE2-CD2 3.44Å; F50-F54 HydrophobicContact CE2-CD2 3.44Å; F50-F54 VanDerWaalsContact CE2-CD2 3.44Å; F50-F54 AromaticContact CE2-CE2 3.72Å; F50-F54 HydrophobicContact CE2-CE2 3.72Å; F50-F54 HydrophobicContact CE2-CG 4.45Å; F50-F54 HydrophobicContact CG-CD2 4.29Å; F50-F54 HydrophobicContact CZ-CB 4.27Å; F50-F54 AromaticContact CZ-CD2 3.58Å; F50-F54 HydrophobicContact CZ-CD2 3.58Å; F50-F54 HydrophobicContact CZ-CE2 4.23Å; F50-F54 HydrophobicContact CZ-CG 4.18Å; F50-F54 PolarHBondContact O-N 3.17Å; F50-I57 HydrophobicContact CE1-CG2 4.12Å; F50-I57 HydrophobicContact CZ-CG2 4.34Å; F50-A121 HydrophobicContact CZ-CB 4.42Å |
| 51 | S | 90.1 | Very high | 89.2 | Confident | 27 Ų | 27 | 29.3 Ų | 29.3 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -35.5 | -179.5 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | D46 S49 F54 P55 | D46-S51 VanDerWaalsContact CG-OG 3.26Å; D46-S51 WeakPolarHBondContact OD1-CB 3.19Å; D46-S51 PolarHBondContact OD1-N 2.77Å; D46-S51 PolarHBondContact OD1-OG 2.76Å; D46-S51 VanDerWaalsContact OD2-CB 3.3Å; D46-S51 WeakPolarHBondContact OD2-CB 3.17Å; D46-S51 PolarHBondContact OD2-OG 3.38Å; S49-S51 VanDerWaalsContact C-N 3.26Å; S49-S51 PolarHBondContact O-N 3.37Å; S51-F54 CarbonylContact O-C 3.52Å; S51-F54 VanDerWaalsContact O-C 3.3Å; S51-P55 WeakPolarHBondContact O-CA 3.25Å |
| 52 | S | 91.3 | Very high | 89.3 | Confident | 86 Ų | 86 | 29.9 Ų | 29.9 | 60% | 0.601 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -72.3 | -35.9 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | S49 F50 | S49-S52 PolarHBondContact O-N 3.21Å; F50-S52 VanDerWaalsContact C-N 3.28Å; F50-S52 PolarHBondContact O-N 3.39Å |
| 53 | L | 93 | Very high | 88.7 | Confident | 47 Ų | 47 | 30.9 Ų | 30.9 | 25% | 0.246 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.7 | -34.1 | 177.5 | -77.7 | 167.6 | 0 | 0 | 0 | 112.7 | I13 K15 S49 F50 P55 | I13-L53 HydrophobicContact CB-CD1 4.29Å; I13-L53 HydrophobicContact CG1-CD1 4.32Å; I13-L53 HydrophobicContact CG2-CD1 3.32Å; K15-L53 WeakPolarHBondContact CD-O 3.35Å; K15-L53 HydrophobicContact CG-CD2 4.5Å; K15-L53 PolarHBondContact NZ-O 3.38Å; S49-L53 PolarHBondContact O-N 3.15Å; F50-L53 PolarHBondContact O-N 3.13Å; F50-L53 VanDerWaalsContact O-N 3.13Å; L53-P55 WeakPolarHBondContact O-CD 3.49Å |
| 54 | F | 94 | Very high | 87.8 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -125.2 | 74.3 | 179.4 | -60.6 | -71.4 | 0 | 0 | 0 | 111.2 | I13 K15 L19 F50 S51 G56 I57 V270 | I13-F54 HydrophobicContact CD1-CE2 4.23Å; K15-F54 HydrophobicContact CB-CE1 3.66Å; K15-F54 HydrophobicContact CB-CE2 4.22Å; K15-F54 HydrophobicContact CB-CZ 3.35Å; K15-F54 HydrophobicContact CD-CD1 4.43Å; K15-F54 HydrophobicContact CD-CE1 3.98Å; K15-F54 HydrophobicContact CD-CZ 4.36Å; K15-F54 HydrophobicContact CG-CE1 4.5Å; K15-F54 HydrophobicContact CG-CZ 4.5Å; L19-F54 HydrophobicContact CB-CD1 4.03Å; L19-F54 HydrophobicContact CB-CE1 4.4Å; L19-F54 HydrophobicContact CD1-CD1 3.73Å; L19-F54 HydrophobicContact CD1-CE1 3.68Å; L19-F54 HydrophobicContact CD1-CG 4.37Å; L19-F54 HydrophobicContact CD1-CZ 4.27Å; L19-F54 HydrophobicContact CG-CD1 3.79Å; L19-F54 HydrophobicContact CG-CE1 3.68Å; F50-F54 HydrophobicContact CD1-CD2 4.42Å; F50-F54 AromaticContact CD2-CD2 3.84Å; F50-F54 HydrophobicContact CD2-CD2 3.84Å; F50-F54 HydrophobicContact CD2-CE2 4.17Å; F50-F54 HydrophobicContact CE1-CB 4.15Å; F50-F54 HydrophobicContact CE1-CD2 4.09Å; F50-F54 AromaticContact CE2-CD2 3.44Å; F50-F54 HydrophobicContact CE2-CD2 3.44Å; F50-F54 VanDerWaalsContact CE2-CD2 3.44Å; F50-F54 AromaticContact CE2-CE2 3.72Å; F50-F54 HydrophobicContact CE2-CE2 3.72Å; F50-F54 HydrophobicContact CE2-CG 4.45Å; F50-F54 HydrophobicContact CG-CD2 4.29Å; F50-F54 HydrophobicContact CZ-CB 4.27Å; F50-F54 AromaticContact CZ-CD2 3.58Å; F50-F54 HydrophobicContact CZ-CD2 3.58Å; F50-F54 HydrophobicContact CZ-CE2 4.23Å; F50-F54 HydrophobicContact CZ-CG 4.18Å; F50-F54 PolarHBondContact O-N 3.17Å; S51-F54 CarbonylContact O-C 3.52Å; S51-F54 VanDerWaalsContact O-C 3.3Å; F54-G56 PolarHBondContact O-N 3.23Å; F54-I57 HydrophobicContact CB-CB 4.08Å; F54-I57 HydrophobicContact CB-CD1 4.2Å; F54-I57 PolarHBondContact O-N 2.91Å; F54-I57 VanDerWaalsContact O-N 3.08Å; F54-V270 HydrophobicContact CE2-CG2 4.45Å; F54-V270 HydrophobicContact CZ-CB 4.1Å; F54-V270 HydrophobicContact CZ-CG1 4.02Å; F54-V270 HydrophobicContact CZ-CG2 4.47Å |
| 55 | P | 92.1 | Very high | 86.8 | Confident | 82 Ų | 82 | 37.7 Ų | 37.7 | 53% | 0.532 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 130.8 | -176.5 | -24.5 | 34.4 | 0 | 0 | 0 | 112.3 | S51 L53 I57 | S51-P55 WeakPolarHBondContact O-CA 3.25Å; L53-P55 WeakPolarHBondContact O-CD 3.49Å; P55-I57 VanDerWaalsContact C-N 3.3Å; P55-I57 PolarHBondContact O-N 3.4Å |
| 56 | G | 90.6 | Very high | 85.9 | Confident | 60 Ų | 60 | 42.2 Ų | 42.2 | 62% | 0.619 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | 3.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | F54 G119 | F54-G56 PolarHBondContact O-N 3.23Å; G56-G119 WeakPolarHBondContact O-CA 3.49Å |
| 57 | I | 92 | Very high | 84.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | -108.7 | 130.3 | 176.4 | -61.3 | 176.9 | 0 | 0 | 0 | 110.1 | L19 P21 Y25 F50 F54 P55 A121 | L19-I57 HydrophobicContact CB-CD1 3.29Å; L19-I57 HydrophobicContact CD1-CD1 4.17Å; L19-I57 HydrophobicContact CG-CD1 4.37Å; P21-I57 HydrophobicContact CB-CG1 4.23Å; Y25-I57 HydrophobicContact CD2-CD1 4.24Å; Y25-I57 HydrophobicContact CE2-CD1 3.79Å; F50-I57 HydrophobicContact CE1-CG2 4.12Å; F50-I57 HydrophobicContact CZ-CG2 4.34Å; F54-I57 HydrophobicContact CB-CB 4.08Å; F54-I57 HydrophobicContact CB-CD1 4.2Å; F54-I57 PolarHBondContact O-N 2.91Å; F54-I57 VanDerWaalsContact O-N 3.08Å; P55-I57 VanDerWaalsContact C-N 3.3Å; P55-I57 PolarHBondContact O-N 3.4Å; I57-A121 HydrophobicContact CG2-CB 3.58Å | ||
| 58 | R | 91.1 | Very high | 84.1 | Confident | 100 Ų | 100 | 40.8 Ų | 40.8 | 38% | 0.377 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.7 | 175 | -64 | 173.6 | -70.4 | -121.6 | -7 | 110.5 | Y60 A97 T98 G119 N120 A121 | R58-Y60 HydrophobicContact CB-CE2 3.75Å; R58-A97 WeakPolarHBondContact CD-O 3.12Å; R58-T98 WeakPolarHBondContact CA-O 3.29Å; R58-G119 PolarHBondContact N-O 2.85Å; R58-N120 PolarHBondContact NE-OD1 3.46Å; R58-N120 PolarHBondContact NH2-OD1 2.89Å; R58-N120 VanDerWaalsContact NH2-OD1 3.08Å; R58-A121 PolarHBondContact O-N 3.4Å |
| 59 | S | 92.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 138.1 | 176.9 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | F43 T98 S99 G100 A121 | F43-S59 WeakPolarHBondContact O-CB 3.42Å; F43-S59 PolarHBondContact O-OG 3Å; S59-T98 PolarHBondContact N-O 3.49Å; S59-T98 VanDerWaalsContact N-O 3.15Å; S59-S99 CarbonylContact O-C 3.34Å; S59-S99 WeakPolarHBondContact O-CA 2.94Å; S59-S99 WeakPolarHBondContact OG-CB 3.29Å; S59-S99 PolarHBondContact OG-OG 3.26Å; S59-G100 PolarHBondContact O-N 3.05Å; S59-A121 CarbonylContact C-O 3.52Å; S59-A121 WeakPolarHBondContact CA-O 3.4Å |
| 60 | Y | 92.3 | Very high | 81 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 104.1 | 174.5 | -60.4 | -85.7 | 0 | 0 | 0 | 110.2 | R58 C62 G100 L112 N120 A121 V123 | R58-Y60 HydrophobicContact CB-CE2 3.75Å; Y60-C62 PolarHBondContact O-N 3.44Å; Y60-G100 CarbonylContact C-O 3.53Å; Y60-G100 VanDerWaalsContact CA-O 3.25Å; Y60-G100 WeakPolarHBondContact CA-O 3.32Å; Y60-L112 HydrophobicContact CD1-CD1 3.98Å; Y60-L112 HydrophobicContact CD1-CD2 4.46Å; Y60-L112 HydrophobicContact CD2-CD1 3.98Å; Y60-L112 HydrophobicContact CD2-CD2 4.38Å; Y60-L112 HydrophobicContact CE1-CD2 4.28Å; Y60-L112 HydrophobicContact CE2-CD2 4.19Å; Y60-L112 HydrophobicContact CG-CD1 3.62Å; Y60-L112 HydrophobicContact CG-CD2 4.5Å; Y60-N120 HydrophobicContact CD2-CB 4.39Å; Y60-N120 HydrophobicContact CE2-CB 4Å; Y60-A121 PolarHBondContact N-O 2.99Å; Y60-V123 PolarHBondContact O-N 3.2Å |
| 61 | L | 91.2 | Very high | 79.2 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.7 | 179.5 | -176 | 64.5 | 0 | 0 | 0 | 110.7 | A39 F40 F43 L44 T63 G100 A101 V102 V123 V125 | A39-L61 HydrophobicContact CB-CD1 4.15Å; F40-L61 HydrophobicContact CB-CD2 4.4Å; F43-L61 HydrophobicContact CB-CB 4.49Å; L44-L61 HydrophobicContact CB-CB 3.94Å; L44-L61 HydrophobicContact CB-CD2 3.77Å; L44-L61 HydrophobicContact CD1-CB 4.41Å; L61-T63 HydrophobicContact CD2-CG2 4.33Å; L61-T63 HydrophobicContact CG-CG2 4.2Å; L61-T63 PolarHBondContact O-N 2.74Å; L61-G100 PolarHBondContact N-O 2.78Å; L61-A101 WeakPolarHBondContact O-CA 3.23Å; L61-V102 PolarHBondContact O-N 3.2Å; L61-V123 HydrophobicContact CD1-CB 3.96Å; L61-V123 HydrophobicContact CD1-CG1 3.93Å; L61-V125 HydrophobicContact CD1-CG2 4.22Å |
| 62 | C | 88.8 | Confident | 77.8 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 125.2 | 172.4 | -64.9 | 0 | 0 | 0 | 0 | 110 | Y60 V102 R104 V122 V123 I124 | Y60-C62 PolarHBondContact O-N 3.44Å; C62-V102 CarbonylContact C-O 3.51Å; C62-V102 VanDerWaalsContact CA-O 3.3Å; C62-V102 WeakPolarHBondContact CA-O 3.3Å; C62-V102 HydrophobicContact CB-CG1 4.35Å; C62-V102 VanDerWaalsContact SG-CG1 3.57Å; C62-R104 HydrophobicContact CB-CB 4.43Å; C62-V122 WeakPolarHBondContact SG-CG1 3.38Å; C62-V123 VanDerWaalsContact CB-O 3.25Å; C62-V123 WeakPolarHBondContact CB-O 3.38Å; C62-V123 PolarHBondContact N-O 3.07Å; C62-V123 PolarHBondContact SG-O 2.76Å; C62-V123 VanDerWaalsContact SG-O 3.32Å; C62-I124 HydrophobicContact CB-CG1 4.3Å |
| 63 | T | 79.6 | Confident | 75.8 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 168.5 | 176.5 | 77.2 | 0 | 0 | 0 | 0 | 111.2 | L61 N67 A101 V102 R104 | L61-T63 HydrophobicContact CD2-CG2 4.33Å; L61-T63 HydrophobicContact CG-CG2 4.2Å; L61-T63 PolarHBondContact O-N 2.74Å; T63-N67 WeakPolarHBondContact CB-ND2 3.5Å; T63-N67 PolarHBondContact OG1-ND2 3.09Å; T63-N67 VanDerWaalsContact OG1-ND2 3.09Å; T63-A101 HydrophobicContact CG2-CB 4.37Å; T63-V102 PolarHBondContact N-O 2.98Å; T63-R104 PolarHBondContact O-N 3.21Å |
| 64 | L | 70.9 | Confident | 73.9 | Confident | 81 Ų | 81 | 68 Ų | 68 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | trans | -59.4 | 140.2 | 178.3 | -66.5 | 170.1 | 0 | 0 | 0 | 111.3 | M66 N67 | L64-M66 PolarHBondContact O-N 2.81Å; L64-N67 WeakPolarHBondContact O-CB 3.47Å; L64-N67 PolarHBondContact O-N 2.81Å | ||
| 65 | D | 65.8 | Low | 72.1 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -58.7 | -26.7 | -178 | -66.7 | -23.5 | 0 | 0 | 0 | 112.9 | N67 F68 Y69 S103 | D65-N67 PolarHBondContact O-N 3.48Å; D65-N67 VanDerWaalsContact O-N 3.14Å; D65-F68 PolarHBondContact O-N 3.32Å; D65-Y69 HydrophobicContact CB-CE1 4.45Å; D65-S103 VanDerWaalsContact OD1-CB 3.22Å; D65-S103 WeakPolarHBondContact OD1-CB 3.23Å; D65-S103 PolarHBondContact OD1-OG 3.46Å |
| 66 | M | 59 | Low | 70.6 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 47% | 0.473 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -56.6 | -28.2 | 174.8 | -169.2 | 174.6 | 69.3 | 0 | 0 | 113.6 | L64 F68 Y69 | L64-M66 PolarHBondContact O-N 2.81Å; M66-F68 PolarHBondContact O-N 2.86Å; M66-Y69 VanDerWaalsContact CA-CD2 3.49Å; M66-Y69 HydrophobicContact CB-CD2 4.2Å; M66-Y69 HydrophobicContact CB-CE2 4.29Å; M66-Y69 HydrophobicContact CG-CD2 4.22Å; M66-Y69 PolarHBondContact O-N 2.79Å |
| 67 | N | 62.8 | Low | 68.9 | Low | 21 Ų | 21 | 71.3 Ų | 71.3 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -64.5 | -18.6 | 174.1 | -72.8 | -40.7 | 0 | 0 | 0 | 113.2 | T63 L64 D65 R73 M77 | T63-N67 WeakPolarHBondContact CB-ND2 3.5Å; T63-N67 PolarHBondContact OG1-ND2 3.09Å; T63-N67 VanDerWaalsContact OG1-ND2 3.09Å; L64-N67 WeakPolarHBondContact O-CB 3.47Å; L64-N67 PolarHBondContact O-N 2.81Å; D65-N67 PolarHBondContact O-N 3.48Å; D65-N67 VanDerWaalsContact O-N 3.14Å; N67-R73 PolarHBondContact OD1-NE 2.99Å; N67-R73 PolarHBondContact OD1-NH2 2.91Å; N67-M77 HydrophobicContact CB-CE 3.99Å; N67-M77 HydrophobicContact CB-CG 4.32Å |
| 68 | F | 64.3 | Low | 67.3 | Low | 29 Ų | 29 | 75.7 Ų | 75.7 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -108.1 | -1.1 | -176.4 | -51.4 | -74.9 | 0 | 0 | 0 | 114.1 | D65 M66 R74 M77 A101 V102 | D65-F68 PolarHBondContact O-N 3.32Å; M66-F68 PolarHBondContact O-N 2.86Å; F68-R74 HydrophobicContact CB-CB 4.33Å; F68-R74 HydrophobicContact CB-CG 4.1Å; F68-R74 HydrophobicContact CD1-CG 4.03Å; F68-M77 HydrophobicContact CE1-CB 4.21Å; F68-A101 HydrophobicContact CE1-CB 4.13Å; F68-A101 HydrophobicContact CZ-CB 3.96Å; F68-V102 VanDerWaalsContact CZ-C 3.46Å |
| 69 | Y | 58.5 | Low | 65.6 | Low | 168 Ų | 168 | 74.6 Ų | 74.6 | 66% | 0.659 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -30.8 | 179.1 | -66.5 | -32.5 | 0 | 0 | 0 | 113.5 | D65 M66 | D65-Y69 HydrophobicContact CB-CE1 4.45Å; M66-Y69 VanDerWaalsContact CA-CD2 3.49Å; M66-Y69 HydrophobicContact CB-CD2 4.2Å; M66-Y69 HydrophobicContact CB-CE2 4.29Å; M66-Y69 HydrophobicContact CG-CD2 4.22Å; M66-Y69 PolarHBondContact O-N 2.79Å |
| 70 | W | 50.5 | Low | 63.8 | Low | 185 Ų | 185 | 75 Ų | 75 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -90.7 | 118.9 | 177.7 | -141.9 | -98.6 | 0 | 0 | 0 | 109.9 | I72 R73 R74 | W70-I72 PolarHBondContact O-N 2.94Å; W70-R73 HydrophobicContact CB-CB 3.93Å; W70-R73 CarbonylContact O-C 3.52Å; W70-R73 WeakPolarHBondContact O-CA 3.04Å; W70-R73 WeakPolarHBondContact O-CB 3.38Å; W70-R73 PolarHBondContact O-N 3.34Å; W70-R74 PolarHBondContact O-N 3.34Å |
| 71 | P | 52.1 | Low | 61.7 | Low | 79 Ų | 79 | 73.4 Ų | 73.4 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53 | -49 | -171.9 | -25.9 | 31.8 | 0 | 0 | 0 | 113.1 | R73 R74 E75 | P71-R73 VanDerWaalsContact C-N 3.27Å; P71-R73 PolarHBondContact O-N 2.67Å; P71-R74 PolarHBondContact O-N 3.11Å; P71-E75 PolarHBondContact O-N 2.64Å |
| 72 | I | 61.4 | Low | 59.4 | Low | 139 Ų | 139 | 77.9 Ų | 77.9 | 71% | 0.713 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62 | -35.8 | 179 | -60.4 | 173.4 | 0 | 0 | 0 | 112 | W70 Y76 | W70-I72 PolarHBondContact O-N 2.94Å; I72-Y76 VanDerWaalsContact O-CB 3.23Å; I72-Y76 WeakPolarHBondContact O-CB 3.45Å; I72-Y76 PolarHBondContact O-N 3.45Å |
| 73 | R | 48.3 | Very low | 56.8 | Low | 118 Ų | 118 | 82.8 Ų | 82.8 | 45% | 0.445 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -76.7 | -35.5 | 179.9 | -170.7 | 179.4 | 174.5 | 148.4 | -3.4 | 112 | N67 W70 P71 Y76 M77 | N67-R73 PolarHBondContact OD1-NE 2.99Å; N67-R73 PolarHBondContact OD1-NH2 2.91Å; W70-R73 HydrophobicContact CB-CB 3.93Å; W70-R73 CarbonylContact O-C 3.52Å; W70-R73 WeakPolarHBondContact O-CA 3.04Å; W70-R73 WeakPolarHBondContact O-CB 3.38Å; W70-R73 PolarHBondContact O-N 3.34Å; P71-R73 VanDerWaalsContact C-N 3.27Å; P71-R73 PolarHBondContact O-N 2.67Å; R73-Y76 PolarHBondContact O-N 2.73Å; R73-M77 HydrophobicContact CG-CG 4.4Å; R73-M77 WeakPolarHBondContact O-CB 3.41Å; R73-M77 VanDerWaalsContact O-CG 3.23Å; R73-M77 WeakPolarHBondContact O-CG 3.22Å; R73-M77 PolarHBondContact O-N 3.36Å |
| 74 | R | 53.9 | Low | 54.5 | Low | 121 Ų | 121 | 90.5 Ų | 90.5 | 46% | 0.457 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -52.4 | 174.6 | 175.5 | -175 | -176.2 | -171.8 | 1.3 | 110 | F68 W70 P71 Y76 M77 Q78 | F68-R74 HydrophobicContact CB-CB 4.33Å; F68-R74 HydrophobicContact CB-CG 4.1Å; F68-R74 HydrophobicContact CD1-CG 4.03Å; W70-R74 PolarHBondContact O-N 3.34Å; P71-R74 PolarHBondContact O-N 3.11Å; R74-Y76 VanDerWaalsContact C-N 3.3Å; R74-Y76 PolarHBondContact O-N 3.34Å; R74-M77 PolarHBondContact O-N 2.52Å; R74-Q78 WeakPolarHBondContact O-CG 3.3Å; R74-Q78 PolarHBondContact O-N 3.32Å |
| 75 | E | 56.3 | Low | 52.5 | Low | 91 Ų | 91 | 95.9 Ų | 95.9 | 43% | 0.425 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 178.8 | -82 | 74.7 | 127.5 | 0 | 0 | 109 | P71 M77 Q78 L79 | P71-E75 PolarHBondContact O-N 2.64Å; E75-M77 PolarHBondContact O-N 2.86Å; E75-Q78 PolarHBondContact O-N 3.14Å; E75-L79 HydrophobicContact CB-CD1 4.38Å; E75-L79 WeakPolarHBondContact O-CA 3.5Å; E75-L79 WeakPolarHBondContact O-CB 3.36Å; E75-L79 WeakPolarHBondContact O-CD1 3.19Å; E75-L79 WeakPolarHBondContact O-CG 3.41Å; E75-L79 PolarHBondContact O-N 3.26Å |
| 76 | Y | 60.7 | Low | 50.7 | Low | 106 Ų | 106 | 99.6 Ų | 99.6 | 42% | 0.416 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55.8 | -53.4 | 173.2 | -175 | -108.8 | 0 | 0 | 0 | 111.8 | M1 I72 R73 R74 Q78 L79 L80 | M1-Y76 WeakPolarHBondContact CE-OH 2.98Å; I72-Y76 VanDerWaalsContact O-CB 3.23Å; I72-Y76 WeakPolarHBondContact O-CB 3.45Å; I72-Y76 PolarHBondContact O-N 3.45Å; R73-Y76 PolarHBondContact O-N 2.73Å; R74-Y76 VanDerWaalsContact C-N 3.3Å; R74-Y76 PolarHBondContact O-N 3.34Å; Y76-Q78 VanDerWaalsContact C-N 3.29Å; Y76-Q78 PolarHBondContact O-N 2.96Å; Y76-L79 CarbonylContact O-C 3.57Å; Y76-L79 WeakPolarHBondContact O-CA 3.35Å; Y76-L79 WeakPolarHBondContact O-CB 3.28Å; Y76-L79 PolarHBondContact O-N 2.88Å; Y76-L80 HydrophobicContact CD1-CD1 3.95Å; Y76-L80 HydrophobicContact CD1-CD2 3.89Å; Y76-L80 HydrophobicContact CD1-CG 3.84Å; Y76-L80 HydrophobicContact CD2-CD2 4.02Å; Y76-L80 HydrophobicContact CE1-CD1 3.68Å; Y76-L80 HydrophobicContact CE1-CD2 3.44Å; Y76-L80 VanDerWaalsContact CE1-CD2 3.44Å; Y76-L80 HydrophobicContact CE1-CG 3.75Å; Y76-L80 HydrophobicContact CE2-CD2 3.56Å; Y76-L80 HydrophobicContact CE2-CG 4.5Å; Y76-L80 HydrophobicContact CG-CD2 4.18Å; Y76-L80 HydrophobicContact CG-CG 4.28Å; Y76-L80 WeakPolarHBondContact O-CG 3.44Å; Y76-L80 PolarHBondContact O-N 3.09Å |
| 77 | M | 55.7 | Low | 49.1 | Very low | 18 Ų | 18 | 97.2 Ų | 97.2 | 9% | 0.089 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62 | -32.5 | -178.9 | -73.6 | -64.6 | -148.6 | 0 | 0 | 113.7 | N67 F68 R73 R74 E75 L80 A101 | N67-M77 HydrophobicContact CB-CE 3.99Å; N67-M77 HydrophobicContact CB-CG 4.32Å; F68-M77 HydrophobicContact CE1-CB 4.21Å; R73-M77 HydrophobicContact CG-CG 4.4Å; R73-M77 WeakPolarHBondContact O-CB 3.41Å; R73-M77 VanDerWaalsContact O-CG 3.23Å; R73-M77 WeakPolarHBondContact O-CG 3.22Å; R73-M77 PolarHBondContact O-N 3.36Å; R74-M77 PolarHBondContact O-N 2.52Å; E75-M77 PolarHBondContact O-N 2.86Å; M77-L80 HydrophobicContact SD-CD1 3.69Å; M77-A101 HydrophobicContact CB-CB 3.98Å; M77-A101 WeakPolarHBondContact O-CB 3.47Å |
| 78 | Q | 57.2 | Low | 47.2 | Very low | 94 Ų | 94 | 103.3 Ų | 103.3 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -77 | -33.7 | 172.2 | -67.1 | -178 | -1.3 | 0 | 0 | 112.1 | R74 E75 Y76 | R74-Q78 WeakPolarHBondContact O-CG 3.3Å; R74-Q78 PolarHBondContact O-N 3.32Å; E75-Q78 PolarHBondContact O-N 3.14Å; Y76-Q78 VanDerWaalsContact C-N 3.29Å; Y76-Q78 PolarHBondContact O-N 2.96Å |
| 79 | L | 55.5 | Low | 45.5 | Very low | 76 Ų | 76 | 111.6 Ų | 111.6 | 40% | 0.398 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77.1 | -21.7 | 174.7 | -72.7 | 169.2 | 0 | 0 | 0 | 112.9 | E75 Y76 G81 K82 | E75-L79 HydrophobicContact CB-CD1 4.38Å; E75-L79 WeakPolarHBondContact O-CA 3.5Å; E75-L79 WeakPolarHBondContact O-CB 3.36Å; E75-L79 WeakPolarHBondContact O-CD1 3.19Å; E75-L79 WeakPolarHBondContact O-CG 3.41Å; E75-L79 PolarHBondContact O-N 3.26Å; Y76-L79 CarbonylContact O-C 3.57Å; Y76-L79 WeakPolarHBondContact O-CA 3.35Å; Y76-L79 WeakPolarHBondContact O-CB 3.28Å; Y76-L79 PolarHBondContact O-N 2.88Å; L79-G81 PolarHBondContact O-N 2.83Å; L79-G81 VanDerWaalsContact O-N 3.11Å; L79-K82 HydrophobicContact CD2-CD 3.69Å; L79-K82 HydrophobicContact CD2-CG 4.48Å; L79-K82 WeakPolarHBondContact O-CA 3.48Å; L79-K82 VanDerWaalsContact O-CB 3.3Å; L79-K82 WeakPolarHBondContact O-CB 3.31Å; L79-K82 PolarHBondContact O-N 3.34Å |
| 80 | L | 55.6 | Low | 43.9 | Very low | 8 Ų | 8 | 107.4 Ų | 107.4 | 4% | 0.042 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23 | 177.7 | -77.2 | -166.6 | 0 | 0 | 0 | 112 | F2 F40 L44 Y76 M77 K82 N83 | F2-L80 HydrophobicContact CE1-CD1 4.44Å; F2-L80 HydrophobicContact CE2-CD2 3.55Å; F2-L80 HydrophobicContact CE2-CG 4.44Å; F2-L80 HydrophobicContact CZ-CD1 3.73Å; F2-L80 HydrophobicContact CZ-CD2 3.4Å; F2-L80 VanDerWaalsContact CZ-CD2 3.4Å; F2-L80 HydrophobicContact CZ-CG 4.08Å; F40-L80 HydrophobicContact CZ-CD1 4.3Å; L44-L80 HydrophobicContact CD2-CD1 4.38Å; Y76-L80 HydrophobicContact CD1-CD1 3.95Å; Y76-L80 HydrophobicContact CD1-CD2 3.89Å; Y76-L80 HydrophobicContact CD1-CG 3.84Å; Y76-L80 HydrophobicContact CD2-CD2 4.02Å; Y76-L80 HydrophobicContact CE1-CD1 3.68Å; Y76-L80 HydrophobicContact CE1-CD2 3.44Å; Y76-L80 VanDerWaalsContact CE1-CD2 3.44Å; Y76-L80 HydrophobicContact CE1-CG 3.75Å; Y76-L80 HydrophobicContact CE2-CD2 3.56Å; Y76-L80 HydrophobicContact CE2-CG 4.5Å; Y76-L80 HydrophobicContact CG-CD2 4.18Å; Y76-L80 HydrophobicContact CG-CG 4.28Å; Y76-L80 WeakPolarHBondContact O-CG 3.44Å; Y76-L80 PolarHBondContact O-N 3.09Å; M77-L80 HydrophobicContact SD-CD1 3.69Å; L80-K82 VanDerWaalsContact C-N 3.26Å; L80-K82 PolarHBondContact O-N 3.13Å; L80-N83 PolarHBondContact O-ND2 3.22Å; L80-N83 VanDerWaalsContact O-ND2 3.17Å |
| 81 | G | 47.5 | Very low | 42.6 | Very low | 8 Ų | 8 | 105.6 Ų | 105.6 | 8% | 0.082 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -7.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | L79 S99 | L79-G81 PolarHBondContact O-N 2.83Å; L79-G81 VanDerWaalsContact O-N 3.11Å; G81-S99 WeakPolarHBondContact CA-O 3.44Å |
| 82 | K | 43.5 | Very low | 41.2 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | trans | -115.7 | 35.5 | -172.1 | -55.4 | -167.6 | -170.7 | 174.3 | 0 | 113.2 | L79 L80 E84 A97 | L79-K82 HydrophobicContact CD2-CD 3.69Å; L79-K82 HydrophobicContact CD2-CG 4.48Å; L79-K82 WeakPolarHBondContact O-CA 3.48Å; L79-K82 VanDerWaalsContact O-CB 3.3Å; L79-K82 WeakPolarHBondContact O-CB 3.31Å; L79-K82 PolarHBondContact O-N 3.34Å; L80-K82 VanDerWaalsContact C-N 3.26Å; L80-K82 PolarHBondContact O-N 3.13Å; K82-E84 PolarHBondContact O-N 2.81Å; K82-A97 HydrophobicContact CG-CB 4.3Å | ||
| 83 | N | 33.6 | Very low | 39.5 | Very low | 116 Ų | 116 | 104.1 Ų | 104.1 | 62% | 0.62 | 55% | 0.55 | S | S | * | * | trans | -74.8 | 67.8 | 176 | -70.1 | -51.4 | 0 | 0 | 0 | 111.9 | F2 L80 | F2-N83 WeakPolarHBondContact CD2-ND2 3.49Å; L80-N83 PolarHBondContact O-ND2 3.22Å; L80-N83 VanDerWaalsContact O-ND2 3.17Å | ||
| 84 | E | 30.6 | Very low | 38.5 | Very low | 181 Ų | 181 | 106.8 Ų | 106.8 | 85% | 0.846 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -124.6 | 105.7 | 137.3 | -164.1 | 172.4 | 178.9 | 0 | 0 | 106.5 | K82 | K82-E84 PolarHBondContact O-N 2.81Š|
| 85 | F | 29.3 | Very low | 37.2 | Very low | 194 Ų | 194 | 105.7 Ų | 105.7 | 85% | 0.851 | 58% | 0.583 | S | S | * | * | trans | 24.5 | 107.8 | 165.7 | -154.5 | -105.7 | 0 | 0 | 0 | 118.7 | G87 | F85-G87 PolarHBondContact O-N 3.42Š| ||
| 86 | V | 28.3 | Very low | 36.2 | Very low | 140 Ų | 140 | 106.2 Ų | 106.2 | 85% | 0.848 | 60% | 0.597 | S | S | * | * | trans | -70.9 | 93.6 | 169.5 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 87 | G | 24.6 | Very low | 35.5 | Very low | 47 Ų | 47 | 102.9 Ų | 102.9 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | trans | -134.3 | 125.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | F85 | F85-G87 PolarHBondContact O-N 3.42Š| ||
| 88 | V | 24.3 | Very low | 35.4 | Very low | 148 Ų | 148 | 104.3 Ų | 104.3 | 90% | 0.897 | 60% | 0.601 | S | S | * | * | trans | 92.4 | 124.3 | 165.2 | -164.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 89 | K | 27.5 | Very low | 35.9 | Very low | 203 Ų | 203 | 100 Ų | 100 | 88% | 0.883 | 58% | 0.581 | S | S | * | * | trans | -54.5 | 153.9 | 168.8 | -65.5 | 171.7 | 173.8 | 177.3 | 0 | 111.9 | ||||
| 90 | S | 25.8 | Very low | 36.8 | Very low | 81 Ų | 81 | 96.7 Ų | 96.7 | 57% | 0.566 | 57% | 0.565 | S | S | * | * | 170.5 | 126.8 | 122.7 | -171.8 | 0 | 0 | 0 | 0 | 113.1 | V92 | S90-V92 PolarHBondContact O-N 3.21Š| |||
| 91 | T | 23.1 | Very low | 38 | Very low | 147 Ų | 147 | 96.8 Ų | 96.8 | 90% | 0.902 | 57% | 0.567 | S | S | * | * | S | Bend | 6.7 | 16.7 | 127.8 | 16.1 | 0 | 0 | 0 | 0 | 123.9 | |||
| 92 | V | 22.5 | Very low | 39.7 | Very low | 121 Ų | 121 | 97.2 Ų | 97.2 | 73% | 0.733 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -148.7 | 129.6 | 176.4 | -94.3 | 0 | 0 | 0 | 0 | 111.1 | S90 | S90-V92 PolarHBondContact O-N 3.21Š|
| 93 | G | 25.5 | Very low | 41.6 | Very low | 66 Ų | 66 | 93.2 Ų | 93.2 | 68% | 0.68 | 55% | 0.553 | S | S | * | * | trans | 68.8 | 94.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S95 | G93-S95 PolarHBondContact O-N 2.94Š| ||
| 94 | L | 28.3 | Very low | 43.7 | Very low | 174 Ų | 174 | 93.5 Ų | 93.5 | 91% | 0.911 | 55% | 0.546 | S | S | * | . | trans | -67.8 | 72.1 | 165.1 | -160.4 | 86 | 0 | 0 | 0 | 110.2 | ||||
| 95 | S | 26.9 | Very low | 46.1 | Very low | 97 Ų | 97 | 86.4 Ų | 86.4 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | trans | -114.1 | 139.1 | 171.7 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | G93 | G93-S95 PolarHBondContact O-N 2.94Š| ||
| 96 | S | 34.4 | Very low | 48.8 | Very low | 103 Ų | 103 | 84.3 Ų | 84.3 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | trans | 68.7 | 51.1 | 173.3 | 52 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 97 | A | 45.3 | Very low | 51.5 | Low | 35 Ų | 35 | 84.2 Ų | 84.2 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | trans | -91.4 | 104.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | R58 K82 | R58-A97 WeakPolarHBondContact CD-O 3.12Å; K82-A97 HydrophobicContact CG-CB 4.3Å | ||
| 98 | T | 53.6 | Low | 54.4 | Low | 49 Ų | 49 | 83.7 Ų | 83.7 | 30% | 0.301 | 49% | 0.485 | S | S | . | . | trans | -79.6 | -22.9 | -176.8 | -16.9 | 0 | 0 | 0 | 0 | 112 | R58 S59 | R58-T98 WeakPolarHBondContact CA-O 3.29Å; S59-T98 PolarHBondContact N-O 3.49Å; S59-T98 VanDerWaalsContact N-O 3.15Å | ||
| 99 | S | 67.7 | Low | 57.4 | Low | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 169.3 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | L44 S59 G81 | L44-S99 WeakPolarHBondContact O-CB 3.23Å; S59-S99 CarbonylContact O-C 3.34Å; S59-S99 WeakPolarHBondContact O-CA 2.94Å; S59-S99 WeakPolarHBondContact OG-CB 3.29Å; S59-S99 PolarHBondContact OG-OG 3.26Å; G81-S99 WeakPolarHBondContact CA-O 3.44Å |
| 100 | G | 75.7 | Confident | 60.3 | Low | 6 Ų | 6 | 68 Ų | 68 | 6% | 0.062 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | 162.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | L44 S59 Y60 L61 | L44-G100 WeakPolarHBondContact CD1-O 3.33Å; S59-G100 PolarHBondContact O-N 3.05Å; Y60-G100 CarbonylContact C-O 3.53Å; Y60-G100 VanDerWaalsContact CA-O 3.25Å; Y60-G100 WeakPolarHBondContact CA-O 3.32Å; L61-G100 PolarHBondContact N-O 2.78Å |
| 101 | A | 80.4 | Confident | 63.3 | Low | 10 Ų | 10 | 70.5 Ų | 70.5 | 8% | 0.083 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L44 L61 T63 F68 M77 | L44-A101 HydrophobicContact CD1-CB 3.62Å; L61-A101 WeakPolarHBondContact O-CA 3.23Å; T63-A101 HydrophobicContact CG2-CB 4.37Å; F68-A101 HydrophobicContact CE1-CB 4.13Å; F68-A101 HydrophobicContact CZ-CB 3.96Å; M77-A101 HydrophobicContact CB-CB 3.98Å; M77-A101 WeakPolarHBondContact O-CB 3.47Å |
| 102 | V | 83.3 | Confident | 66.5 | Low | 17 Ų | 17 | 64.3 Ų | 64.3 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151.7 | 174.8 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | L61 C62 T63 F68 L112 | L61-V102 PolarHBondContact O-N 3.2Å; C62-V102 CarbonylContact C-O 3.51Å; C62-V102 VanDerWaalsContact CA-O 3.3Å; C62-V102 WeakPolarHBondContact CA-O 3.3Å; C62-V102 HydrophobicContact CB-CG1 4.35Å; C62-V102 VanDerWaalsContact SG-CG1 3.57Å; T63-V102 PolarHBondContact N-O 2.98Å; F68-V102 VanDerWaalsContact CZ-C 3.46Å; V102-L112 HydrophobicContact CB-CD1 4.03Å; V102-L112 HydrophobicContact CG1-CD1 4.12Å; V102-L112 HydrophobicContact CG2-CD1 3.74Å |
| 103 | S | 82 | Confident | 69.6 | Low | 20 Ų | 20 | 58.6 Ų | 58.6 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 143.5 | 170.2 | 162.3 | 0 | 0 | 0 | 0 | 110.4 | D65 S105 S108 | D65-S103 VanDerWaalsContact OD1-CB 3.22Å; D65-S103 WeakPolarHBondContact OD1-CB 3.23Å; D65-S103 PolarHBondContact OD1-OG 3.46Å; S103-S105 PolarHBondContact O-N 2.78Å; S103-S105 VanDerWaalsContact OG-CB 3.32Å; S103-S105 WeakPolarHBondContact OG-CB 3.25Å; S103-S105 PolarHBondContact OG-N 3.48Å; S103-S105 VanDerWaalsContact OG-N 3.07Å; S103-S105 PolarHBondContact OG-OG 3.1Å; S103-S108 WeakPolarHBondContact O-CB 3.36Å |
| 104 | R | 79.4 | Confident | 72.5 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | trans | -71.3 | -7.1 | 174.5 | -171.9 | -175.2 | 151.9 | 99.5 | 0.8 | 112.8 | C62 T63 | C62-R104 HydrophobicContact CB-CB 4.43Å; T63-R104 PolarHBondContact O-N 3.21Å | ||
| 105 | S | 81 | Confident | 75.2 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -53 | 143.4 | 178.4 | 56.4 | 0 | 0 | 0 | 0 | 112 | S103 E107 S108 V109 | S103-S105 PolarHBondContact O-N 2.78Å; S103-S105 VanDerWaalsContact OG-CB 3.32Å; S103-S105 WeakPolarHBondContact OG-CB 3.25Å; S103-S105 PolarHBondContact OG-N 3.48Å; S103-S105 VanDerWaalsContact OG-N 3.07Å; S103-S105 PolarHBondContact OG-OG 3.1Å; S105-E107 WeakPolarHBondContact CB-OE2 3.5Å; S105-E107 PolarHBondContact O-N 2.97Å; S105-S108 PolarHBondContact O-N 3.15Å; S105-S108 VanDerWaalsContact OG-CB 3.29Å; S105-S108 WeakPolarHBondContact OG-CB 3.4Å; S105-S108 PolarHBondContact OG-N 3.25Å; S105-S108 PolarHBondContact OG-OG 2.78Å; S105-V109 WeakPolarHBondContact O-CG2 3.48Å; S105-V109 PolarHBondContact O-N 3.28Å; S105-V109 VanDerWaalsContact O-N 3.08Å |
| 106 | K | 85.2 | Confident | 77.7 | Confident | 150 Ų | 150 | 54.1 Ų | 54.1 | 65% | 0.652 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.5 | -34.5 | -179.5 | -72.9 | 179.3 | -177.4 | 170.3 | 0 | 110.6 | S110 | K106-S110 WeakPolarHBondContact O-CB 3.34Å; K106-S110 PolarHBondContact O-N 3.14Å; K106-S110 PolarHBondContact O-OG 2.92Å |
| 107 | E | 85.6 | Confident | 79.9 | Confident | 138 Ų | 138 | 52.6 Ų | 52.6 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 179.7 | -62.4 | 65.9 | -141.8 | 0 | 0 | 110.5 | S105 S110 Y111 | S105-E107 WeakPolarHBondContact CB-OE2 3.5Å; S105-E107 PolarHBondContact O-N 2.97Å; E107-S110 PolarHBondContact O-N 3.32Å; E107-Y111 VanDerWaalsContact O-CB 3.3Å; E107-Y111 WeakPolarHBondContact O-CB 3.17Å; E107-Y111 PolarHBondContact O-N 2.94Å |
| 108 | S | 84.9 | Confident | 81.8 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 179.2 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | S103 S105 Y111 L112 | S103-S108 WeakPolarHBondContact O-CB 3.36Å; S105-S108 PolarHBondContact O-N 3.15Å; S105-S108 VanDerWaalsContact OG-CB 3.29Å; S105-S108 WeakPolarHBondContact OG-CB 3.4Å; S105-S108 PolarHBondContact OG-N 3.25Å; S105-S108 PolarHBondContact OG-OG 2.78Å; S108-Y111 PolarHBondContact O-N 2.84Å; S108-L112 PolarHBondContact O-N 3.35Å |
| 109 | V | 88.3 | Confident | 83.6 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -50 | 175 | 173.4 | 0 | 0 | 0 | 0 | 110 | L26 S105 Y111 L112 I113 V122 I124 V153 | L26-V109 HydrophobicContact CD1-CG1 4.05Å; S105-V109 WeakPolarHBondContact O-CG2 3.48Å; S105-V109 PolarHBondContact O-N 3.28Å; S105-V109 VanDerWaalsContact O-N 3.08Å; V109-Y111 VanDerWaalsContact C-N 3.33Å; V109-Y111 PolarHBondContact O-N 3.45Å; V109-L112 PolarHBondContact O-N 2.7Å; V109-I113 HydrophobicContact CG1-CD1 4.12Å; V109-I113 HydrophobicContact CG1-CG2 4.45Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.48Å; V109-I113 WeakPolarHBondContact O-CG2 3.33Å; V109-I113 PolarHBondContact O-N 2.98Å; V109-V122 HydrophobicContact CG1-CG1 4.17Å; V109-V122 HydrophobicContact CG2-CG1 4.19Å; V109-I124 HydrophobicContact CG1-CD1 4.48Å; V109-I124 HydrophobicContact CG2-CD1 4.36Å; V109-V153 HydrophobicContact CG1-CG1 4.07Å |
| 110 | S | 88.1 | Confident | 84.8 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 12% | 0.119 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | -179.6 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | K106 E107 L112 T114 Y157 | K106-S110 WeakPolarHBondContact O-CB 3.34Å; K106-S110 PolarHBondContact O-N 3.14Å; K106-S110 PolarHBondContact O-OG 2.92Å; E107-S110 PolarHBondContact O-N 3.32Å; S110-L112 PolarHBondContact O-N 2.78Å; S110-T114 WeakPolarHBondContact O-CB 3.31Å; S110-T114 VanDerWaalsContact O-CG2 3.23Å; S110-T114 WeakPolarHBondContact O-CG2 3.43Å; S110-T114 PolarHBondContact O-N 3.29Å; S110-T114 VanDerWaalsContact O-N 3.08Å; S110-T114 PolarHBondContact O-OG1 2.78Å; S110-Y157 WeakPolarHBondContact CB-OH 3.32Å; S110-Y157 WeakPolarHBondContact OG-CE2 3.01Å; S110-Y157 PolarHBondContact OG-OH 3.06Å |
| 111 | Y | 89.1 | Confident | 85.7 | Confident | 135 Ų | 135 | 48.6 Ų | 48.6 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 178.1 | 174.8 | -101.6 | 0 | 0 | 0 | 111.8 | E107 S108 V109 T114 R115 | E107-Y111 VanDerWaalsContact O-CB 3.3Å; E107-Y111 WeakPolarHBondContact O-CB 3.17Å; E107-Y111 PolarHBondContact O-N 2.94Å; S108-Y111 PolarHBondContact O-N 2.84Å; V109-Y111 VanDerWaalsContact C-N 3.33Å; V109-Y111 PolarHBondContact O-N 3.45Å; Y111-T114 PolarHBondContact O-OG1 3.46Å; Y111-R115 WeakPolarHBondContact O-CG 3.17Å; Y111-R115 PolarHBondContact OH-NH1 3.12Å |
| 112 | L | 89.2 | Confident | 86.4 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.2 | -45.7 | -178.8 | -72.5 | 175.8 | 0 | 0 | 0 | 112.7 | Y60 V102 S108 V109 S110 T114 R115 V122 | Y60-L112 HydrophobicContact CD1-CD1 3.98Å; Y60-L112 HydrophobicContact CD1-CD2 4.46Å; Y60-L112 HydrophobicContact CD2-CD1 3.98Å; Y60-L112 HydrophobicContact CD2-CD2 4.38Å; Y60-L112 HydrophobicContact CE1-CD2 4.28Å; Y60-L112 HydrophobicContact CE2-CD2 4.19Å; Y60-L112 HydrophobicContact CG-CD1 3.62Å; Y60-L112 HydrophobicContact CG-CD2 4.5Å; V102-L112 HydrophobicContact CB-CD1 4.03Å; V102-L112 HydrophobicContact CG1-CD1 4.12Å; V102-L112 HydrophobicContact CG2-CD1 3.74Å; S108-L112 PolarHBondContact O-N 3.35Å; V109-L112 PolarHBondContact O-N 2.7Å; S110-L112 PolarHBondContact O-N 2.78Å; L112-T114 PolarHBondContact O-N 3.03Å; L112-R115 WeakPolarHBondContact O-CB 3.38Å; L112-R115 WeakPolarHBondContact O-CG 3.19Å; L112-R115 PolarHBondContact O-N 3.48Å; L112-V122 HydrophobicContact CB-CG2 3.53Å; L112-V122 HydrophobicContact CD1-CG2 3.89Å; L112-V122 HydrophobicContact CG-CG2 4.39Å |
| 113 | I | 88.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.8 | -15.5 | -176.8 | 69.5 | -173.9 | 0 | 0 | 0 | 113.3 | N24 V109 V122 V153 Y157 V204 | N24-I113 WeakPolarHBondContact CB-O 3.42Å; N24-I113 PolarHBondContact ND2-O 2.97Å; V109-I113 HydrophobicContact CG1-CD1 4.12Å; V109-I113 HydrophobicContact CG1-CG2 4.45Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.48Å; V109-I113 WeakPolarHBondContact O-CG2 3.33Å; V109-I113 PolarHBondContact O-N 2.98Å; I113-V122 HydrophobicContact CG2-CB 3.92Å; I113-V122 HydrophobicContact CG2-CG2 3.51Å; I113-V153 HydrophobicContact CD1-CG1 3.52Å; I113-Y157 HydrophobicContact CD1-CD2 3.54Å; I113-Y157 HydrophobicContact CD1-CE2 4.22Å; I113-Y157 HydrophobicContact CD1-CG 4.09Å; I113-Y157 HydrophobicContact CG1-CD2 4.21Å; I113-Y157 HydrophobicContact CG1-CG 4.39Å; I113-V204 HydrophobicContact CB-CG1 4.42Å; I113-V204 HydrophobicContact CB-CG2 3.67Å; I113-V204 HydrophobicContact CD1-CG2 4.24Å; I113-V204 HydrophobicContact CG1-CG2 4Å; I113-V204 WeakPolarHBondContact O-CG2 3.37Å |
| 114 | T | 86.9 | Confident | 87.5 | Confident | 57 Ų | 57 | 47.2 Ų | 47.2 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 1.7 | 174.9 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | S110 Y111 L112 Y157 C202 | S110-T114 WeakPolarHBondContact O-CB 3.31Å; S110-T114 VanDerWaalsContact O-CG2 3.23Å; S110-T114 WeakPolarHBondContact O-CG2 3.43Å; S110-T114 PolarHBondContact O-N 3.29Å; S110-T114 VanDerWaalsContact O-N 3.08Å; S110-T114 PolarHBondContact O-OG1 2.78Å; Y111-T114 PolarHBondContact O-OG1 3.46Å; L112-T114 PolarHBondContact O-N 3.03Å; T114-Y157 HydrophobicContact CG2-CD1 3.29Å; T114-Y157 HydrophobicContact CG2-CE1 3.45Å; T114-Y157 VanDerWaalsContact CG2-CE1 3.45Å; T114-Y157 HydrophobicContact CG2-CG 3.94Å; T114-C202 PolarHBondContact O-SG 2.78Å; T114-C202 VanDerWaalsContact O-SG 3.38Å |
| 115 | R | 85.1 | Confident | 88.1 | Confident | 101 Ų | 101 | 42 Ų | 42 | 38% | 0.381 | 23% | 0.228 | S | C | . | . | trans | -59.8 | 131.2 | 178.2 | -71.1 | -75.1 | -93.8 | -174 | -6.6 | 110.3 | N24 Y111 L112 C202 | N24-R115 PolarHBondContact ND2-O 3.08Å; N24-R115 VanDerWaalsContact ND2-O 3.08Å; Y111-R115 WeakPolarHBondContact O-CG 3.17Å; Y111-R115 PolarHBondContact OH-NH1 3.12Å; L112-R115 WeakPolarHBondContact O-CB 3.38Å; L112-R115 WeakPolarHBondContact O-CG 3.19Å; L112-R115 PolarHBondContact O-N 3.48Å; R115-C202 PolarHBondContact O-SG 3.18Å | ||
| 116 | P | 79.3 | Confident | 88.3 | Confident | 86 Ų | 86 | 40.8 Ų | 40.8 | 56% | 0.558 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 146.9 | 175.1 | 28.8 | -34 | 0 | 0 | 0 | 110.6 | F199 | P116-F199 HydrophobicContact CB-CE1 4.43Š|
| 117 | G | 79.4 | Confident | 87.8 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 73% | 0.732 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -7.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 118 | G | 86.5 | Confident | 87.5 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | trans | 71.6 | -162.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P21 N24 N120 | P21-G118 CarbonylContact O-C 3.54Å; N24-G118 VanDerWaalsContact OD1-CA 3.25Å; N24-G118 WeakPolarHBondContact OD1-CA 3.45Å; G118-N120 PolarHBondContact O-ND2 2.82Å | ||
| 119 | G | 90.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | 77.6 | 22.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P21 E23 N24 G56 R58 | P21-G119 VanDerWaalsContact O-CA 3.24Å; P21-G119 WeakPolarHBondContact O-CA 3.05Å; P21-G119 PolarHBondContact O-N 3.07Å; E23-G119 PolarHBondContact O-N 3.27Å; N24-G119 PolarHBondContact OD1-N 3.34Å; G56-G119 WeakPolarHBondContact O-CA 3.49Å; R58-G119 PolarHBondContact N-O 2.85Å | ||
| 120 | N | 92.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.6 | 175.2 | -48.3 | -71.5 | 0 | 0 | 0 | 109.5 | N24 Y25 R58 Y60 G118 | N24-N120 CarbonylContact C-O 3.43Å; N24-N120 VanDerWaalsContact CA-O 3.28Å; N24-N120 WeakPolarHBondContact CA-O 3.39Å; N24-N120 WeakPolarHBondContact OD1-CB 3.1Å; N24-N120 PolarHBondContact OD1-N 3.47Å; N24-N120 VanDerWaalsContact OD1-N 3.08Å; N24-N120 PolarHBondContact OD1-ND2 3.46Å; Y25-N120 PolarHBondContact N-O 2.84Å; R58-N120 PolarHBondContact NE-OD1 3.46Å; R58-N120 PolarHBondContact NH2-OD1 2.89Å; R58-N120 VanDerWaalsContact NH2-OD1 3.08Å; Y60-N120 HydrophobicContact CD2-CB 4.39Å; Y60-N120 HydrophobicContact CE2-CB 4Å; G118-N120 PolarHBondContact O-ND2 2.82Å |
| 121 | A | 94.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 101.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y25 I27 F50 I57 R58 S59 Y60 | Y25-A121 CarbonylContact O-C 3.55Å; Y25-A121 WeakPolarHBondContact O-CA 3.38Å; I27-A121 HydrophobicContact CD1-CB 3.8Å; I27-A121 HydrophobicContact CG1-CB 4.2Å; F50-A121 HydrophobicContact CZ-CB 4.42Å; I57-A121 HydrophobicContact CG2-CB 3.58Å; R58-A121 PolarHBondContact O-N 3.4Å; S59-A121 CarbonylContact C-O 3.52Å; S59-A121 WeakPolarHBondContact CA-O 3.4Å; Y60-A121 PolarHBondContact N-O 2.99Å |
| 122 | V | 94.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | Y25 L26 I27 C62 V109 L112 I113 | Y25-V122 PolarHBondContact O-N 3.44Å; L26-V122 CarbonylContact C-O 3.54Å; L26-V122 WeakPolarHBondContact CA-O 3.49Å; L26-V122 HydrophobicContact CD1-CB 4.04Å; L26-V122 HydrophobicContact CD1-CG1 4.09Å; I27-V122 PolarHBondContact N-O 3.46Å; C62-V122 WeakPolarHBondContact SG-CG1 3.38Å; V109-V122 HydrophobicContact CG1-CG1 4.17Å; V109-V122 HydrophobicContact CG2-CG1 4.19Å; L112-V122 HydrophobicContact CB-CG2 3.53Å; L112-V122 HydrophobicContact CD1-CG2 3.89Å; L112-V122 HydrophobicContact CG-CG2 4.39Å; I113-V122 HydrophobicContact CG2-CB 3.92Å; I113-V122 HydrophobicContact CG2-CG2 3.51Å |
| 123 | V | 95.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.9 | -176.5 | -168.9 | 0 | 0 | 0 | 0 | 110 | I27 N29 F43 Y60 L61 C62 | I27-V123 HydrophobicContact CB-CB 4.43Å; I27-V123 HydrophobicContact CB-CG1 4.25Å; I27-V123 HydrophobicContact CB-CG2 4.04Å; I27-V123 HydrophobicContact CD1-CG2 4.27Å; I27-V123 HydrophobicContact CG1-CG2 4.48Å; I27-V123 HydrophobicContact CG2-CG1 4.23Å; I27-V123 CarbonylContact O-C 3.6Å; I27-V123 VanDerWaalsContact O-CA 3.25Å; I27-V123 WeakPolarHBondContact O-CA 3.39Å; N29-V123 HydrophobicContact CB-CG1 4.24Å; F43-V123 HydrophobicContact CB-CB 4.24Å; F43-V123 HydrophobicContact CB-CG1 4.34Å; F43-V123 HydrophobicContact CB-CG2 3.76Å; F43-V123 HydrophobicContact CD1-CG2 3.85Å; F43-V123 HydrophobicContact CD2-CB 4.43Å; F43-V123 HydrophobicContact CD2-CG1 3.64Å; F43-V123 HydrophobicContact CD2-CG2 4.33Å; F43-V123 HydrophobicContact CE2-CG1 3.97Å; F43-V123 HydrophobicContact CG-CB 4.26Å; F43-V123 HydrophobicContact CG-CG1 3.93Å; F43-V123 HydrophobicContact CG-CG2 3.73Å; Y60-V123 PolarHBondContact O-N 3.2Å; L61-V123 HydrophobicContact CD1-CB 3.96Å; L61-V123 HydrophobicContact CD1-CG1 3.93Å; C62-V123 VanDerWaalsContact CB-O 3.25Å; C62-V123 WeakPolarHBondContact CB-O 3.38Å; C62-V123 PolarHBondContact N-O 3.07Å; C62-V123 PolarHBondContact SG-O 2.76Å; C62-V123 VanDerWaalsContact SG-O 3.32Å |
| 124 | I | 93.6 | Very high | 86.2 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 9% | 0.087 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.8 | 174.8 | -61.1 | -179.4 | 0 | 0 | 0 | 108.9 | L26 I27 V28 N29 C62 V109 | L26-I124 HydrophobicContact CD1-CD1 3.67Å; L26-I124 HydrophobicContact CD1-CG1 3.97Å; L26-I124 HydrophobicContact CD2-CD1 4.41Å; L26-I124 HydrophobicContact CG-CD1 4.39Å; I27-I124 PolarHBondContact O-N 3.37Å; V28-I124 CarbonylContact C-O 3.47Å; V28-I124 VanDerWaalsContact CA-O 3.27Å; V28-I124 WeakPolarHBondContact CA-O 3.37Å; N29-I124 PolarHBondContact N-O 2.85Å; C62-I124 HydrophobicContact CB-CG1 4.3Å; V109-I124 HydrophobicContact CG1-CD1 4.48Å; V109-I124 HydrophobicContact CG2-CD1 4.36Å |
| 125 | V | 92.1 | Very high | 86.2 | Confident | 13 Ų | 13 | 23.1 Ų | 23.1 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.4 | 169 | -167.8 | 0 | 0 | 0 | 0 | 108.7 | N29 H32 A39 L61 | N29-V125 HydrophobicContact CB-CG2 4.47Å; N29-V125 WeakPolarHBondContact O-CA 3.45Å; H32-V125 HydrophobicContact CB-CG1 3.47Å; H32-V125 VanDerWaalsContact CB-CG1 3.47Å; H32-V125 WeakPolarHBondContact CD2-CG1 3.49Å; A39-V125 HydrophobicContact CB-CG2 4.01Å; L61-V125 HydrophobicContact CD1-CG2 4.22Å |
| 126 | A | 85.1 | Confident | 86.3 | Confident | 7 Ų | 7 | 21.8 Ų | 21.8 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -82.9 | -19.1 | -163 | 0 | 0 | 0 | 0 | 0 | 115.5 | V28 L144 | V28-A126 HydrophobicContact CG1-CB 3.7Å; A126-L144 HydrophobicContact CB-CD1 4.42Å |
| 127 | G | 76.2 | Confident | 86.7 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -76.7 | -33.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | E131 | G127-E131 VanDerWaalsContact C-CB 3.48Å; G127-E131 VanDerWaalsContact CA-CB 3.44Å; G127-E131 VanDerWaalsContact CA-OE2 3.28Å; G127-E131 WeakPolarHBondContact CA-OE2 3.49Å; G127-E131 WeakPolarHBondContact O-CB 3.33Å; G127-E131 PolarHBondContact O-N 3.4Å; G127-E131 VanDerWaalsContact O-N 3.17Å |
| 128 | G | 79.4 | Confident | 87.1 | Confident | 20 Ų | 20 | 19.5 Ų | 19.5 | 21% | 0.206 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | 52 | -152.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E130 E131 A132 | G128-E130 VanDerWaalsContact C-N 3.3Å; G128-E130 PolarHBondContact O-N 3.25Å; G128-E131 PolarHBondContact O-N 3.24Å; G128-A132 PolarHBondContact O-N 2.81Å; G128-A132 VanDerWaalsContact O-N 3.13Å |
| 129 | A | 77.9 | Confident | 87.2 | Confident | 35 Ų | 35 | 20 Ų | 20 | 29% | 0.289 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.5 | -28.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L133 T243 | A129-L133 PolarHBondContact O-N 2.96Å; A129-T243 WeakPolarHBondContact CB-OG1 3.42Å |
| 130 | E | 82.8 | Confident | 87.4 | Confident | 83 Ų | 83 | 20.6 Ų | 20.6 | 39% | 0.388 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -69.2 | -42.9 | 178.2 | -162.9 | -169.1 | 166.7 | 0 | 0 | 110.8 | G128 A132 L133 I143 R147 | G128-E130 VanDerWaalsContact C-N 3.3Å; G128-E130 PolarHBondContact O-N 3.25Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-L133 WeakPolarHBondContact O-CB 3.48Å; E130-L133 PolarHBondContact O-N 3.25Å; E130-I143 HydrophobicContact CB-CD1 3.7Å; E130-I143 HydrophobicContact CG-CD1 3.35Å; E130-R147 IonicContact OE2-CZ 3.8Å; E130-R147 IonicContact OE2-NH2 2.81Å; E130-R147 PolarHBondContact OE2-NH2 2.76Å |
| 131 | E | 87.3 | Confident | 87.4 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.2 | -33.9 | 177 | -169.6 | 179.3 | 94.7 | 0 | 0 | 111.9 | P31 H32 G127 G128 L133 E134 S135 I142 I143 | P31-E131 VanDerWaalsContact CA-OE1 3.23Å; P31-E131 WeakPolarHBondContact CA-OE1 3.13Å; P31-E131 VanDerWaalsContact CB-OE1 3.3Å; P31-E131 WeakPolarHBondContact CB-OE1 3.37Å; H32-E131 WeakPolarHBondContact CB-OE1 3.42Å; H32-E131 PolarHBondContact N-OE1 3.23Å; G127-E131 VanDerWaalsContact C-CB 3.48Å; G127-E131 VanDerWaalsContact CA-CB 3.44Å; G127-E131 VanDerWaalsContact CA-OE2 3.28Å; G127-E131 WeakPolarHBondContact CA-OE2 3.49Å; G127-E131 WeakPolarHBondContact O-CB 3.33Å; G127-E131 PolarHBondContact O-N 3.4Å; G127-E131 VanDerWaalsContact O-N 3.17Å; G128-E131 PolarHBondContact O-N 3.24Å; E131-L133 PolarHBondContact O-N 3.5Å; E131-L133 VanDerWaalsContact O-N 3.15Å; E131-E134 PolarHBondContact O-N 2.82Å; E131-S135 PolarHBondContact O-N 3.46Å; E131-I142 WeakPolarHBondContact OE2-CA 3.39Å; E131-I142 VanDerWaalsContact OE2-CB 3.3Å; E131-I142 WeakPolarHBondContact OE2-CB 3.42Å; E131-I143 HydrophobicContact CB-CB 4.22Å; E131-I143 HydrophobicContact CB-CD1 4.2Å; E131-I143 HydrophobicContact CB-CG1 3.99Å; E131-I143 HydrophobicContact CG-CG1 4.29Å; E131-I143 PolarHBondContact OE2-N 3.25Å |
| 132 | A | 84.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.1 | -27.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G33 G128 E130 Q220 P245 | G33-A132 WeakPolarHBondContact O-CA 3.44Å; G33-A132 WeakPolarHBondContact O-CB 3.33Å; G128-A132 PolarHBondContact O-N 2.81Å; G128-A132 VanDerWaalsContact O-N 3.13Å; E130-A132 VanDerWaalsContact C-N 3.34Å; A132-Q220 PolarHBondContact O-OE1 3.39Å; A132-P245 HydrophobicContact CB-CG 4.24Å |
| 133 | L | 83 | Confident | 87.4 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -18.3 | 174.8 | -66 | 173.1 | 0 | 0 | 0 | 113.9 | A129 E130 E131 Q220 R230 Q233 T243 P245 | A129-L133 PolarHBondContact O-N 2.96Å; E130-L133 WeakPolarHBondContact O-CB 3.48Å; E130-L133 PolarHBondContact O-N 3.25Å; E131-L133 PolarHBondContact O-N 3.5Å; E131-L133 VanDerWaalsContact O-N 3.15Å; L133-Q220 VanDerWaalsContact C-OE1 3.3Å; L133-Q220 PolarHBondContact O-NE2 2.89Å; L133-Q220 VanDerWaalsContact O-NE2 3.08Å; L133-Q220 PolarHBondContact O-OE1 3.38Å; L133-R230 VanDerWaalsContact CB-NH1 3.29Å; L133-R230 PolarHBondContact O-NH2 2.87Å; L133-Q233 HydrophobicContact CD2-CB 4.2Å; L133-T243 HydrophobicContact CD1-CG2 4.12Å; L133-T243 HydrophobicContact CD2-CG2 3.84Å; L133-T243 HydrophobicContact CG-CG2 4.23Å; L133-P245 HydrophobicContact CD2-CB 4.26Å |
| 134 | E | 84.9 | Confident | 87.4 | Confident | 23 Ų | 23 | 25.2 Ų | 25.2 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -1.7 | 176.7 | -60.7 | -59.6 | 147.9 | 0 | 0 | 112.2 | E131 Q136 I143 K225 R230 L320 | E131-E134 PolarHBondContact O-N 2.82Å; E134-Q136 PolarHBondContact O-N 2.89Å; E134-I143 HydrophobicContact CG-CD1 4.17Å; E134-K225 WeakPolarHBondContact OE1-CE 3.3Å; E134-R230 IonicContact OE1-CZ 3.44Å; E134-R230 IonicContact OE1-NH1 2.72Å; E134-R230 PolarHBondContact OE1-NH1 3.46Å; E134-R230 IonicContact OE1-NH2 3.35Å; E134-R230 PolarHBondContact OE1-NH2 3.06Å; E134-R230 IonicContact OE2-NH2 3.93Å; E134-L320 HydrophobicContact CG-CD1 4.27Å |
| 135 | S | 86.7 | Confident | 87.4 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | trans | -72.4 | 109.3 | -172.8 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | E131 Q220 | E131-S135 PolarHBondContact O-N 3.46Å; S135-Q220 WeakPolarHBondContact O-CB 2.9Å; S135-Q220 PolarHBondContact O-OE1 3.07Å; S135-Q220 VanDerWaalsContact O-OE1 3.1Å | ||
| 136 | Q | 86.7 | Confident | 87.3 | Confident | 73 Ų | 73 | 37 Ų | 37 | 34% | 0.341 | 20% | 0.198 | S | C | . | . | trans | -129.7 | 145.5 | 172.7 | -63.2 | -169.1 | 2 | 0 | 0 | 110.4 | E134 G138 A139 | E134-Q136 PolarHBondContact O-N 2.89Å; Q136-G138 PolarHBondContact O-N 2.95Å; Q136-A139 HydrophobicContact CB-CB 3.93Å; Q136-A139 WeakPolarHBondContact O-CB 3.42Å; Q136-A139 PolarHBondContact O-N 3.33Å | ||
| 137 | P | 88.3 | Confident | 87.7 | Confident | 63 Ų | 63 | 41.1 Ų | 41.1 | 41% | 0.409 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 135.1 | 174.8 | -27.1 | 34.7 | 0 | 0 | 0 | 112.2 | A139 D216 R219 | P137-A139 PolarHBondContact O-N 3.23Å; P137-A139 VanDerWaalsContact O-N 3.12Å; P137-D216 VanDerWaalsContact CA-OD1 3.31Å; P137-D216 WeakPolarHBondContact CA-OD1 3.24Å; P137-R219 HydrophobicContact CG-CG 3.96Å |
| 138 | G | 88.4 | Confident | 88.6 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 47% | 0.474 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -3.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q136 H140 D216 | Q136-G138 PolarHBondContact O-N 2.95Å; G138-H140 PolarHBondContact O-CD2 3.28Å; G138-D216 PolarHBondContact N-OD1 3.31Å |
| 139 | A | 88.6 | Confident | 89.3 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 13% | 0.132 | 23% | 0.233 | C | C | . | . | trans | -91.1 | 105.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q136 P137 R141 | Q136-A139 HydrophobicContact CB-CB 3.93Å; Q136-A139 WeakPolarHBondContact O-CB 3.42Å; Q136-A139 PolarHBondContact O-N 3.33Å; P137-A139 PolarHBondContact O-N 3.23Å; P137-A139 VanDerWaalsContact O-N 3.12Å; A139-R141 VanDerWaalsContact C-N 3.31Å; A139-R141 PolarHBondContact O-N 3.01Å; A139-R141 VanDerWaalsContact O-N 3.09Å | ||
| 140 | H | 93.7 | Very high | 90 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | trans | -86.9 | 70.6 | 177.1 | -59.4 | -78.6 | 0 | 0 | 0 | 110.6 | G138 Y210 F302 I311 T315 L317 Q318 | G138-H140 PolarHBondContact O-CD2 3.28Å; H140-Y210 PolarHBondContact ND1-OH 3.5Å; H140-F302 HydrophobicContact CB-CE2 4.17Å; H140-F302 HydrophobicContact CB-CZ 3.96Å; H140-F302 AromaticContact CG-CE2 3.86Å; H140-F302 AromaticContact CG-CZ 3.7Å; H140-F302 AromaticContact ND1-CE2 3.58Å; H140-F302 AromaticContact ND1-CZ 3.87Å; H140-I311 WeakPolarHBondContact CE1-CD1 3.15Å; H140-T315 VanDerWaalsContact CD2-CG2 3.5Å; H140-T315 WeakPolarHBondContact CD2-CG2 3.49Å; H140-L317 HydrophobicContact CB-CD1 4.23Å; H140-Q318 PolarHBondContact O-N 2.98Å | ||
| 141 | R | 93.4 | Very high | 90.6 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 33% | 0.328 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.1 | 179.8 | -69.3 | 169.4 | -178.1 | 164.1 | 8 | 109.7 | A139 Q318 L320 | A139-R141 VanDerWaalsContact C-N 3.31Å; A139-R141 PolarHBondContact O-N 3.01Å; A139-R141 VanDerWaalsContact O-N 3.09Å; R141-Q318 WeakPolarHBondContact CA-O 3.25Å; R141-Q318 HydrophobicContact CB-CB 4.47Å; R141-Q318 HydrophobicContact CG-CB 3.8Å; R141-Q318 HydrophobicContact CG-CG 4.41Å; R141-L320 HydrophobicContact CB-CD1 4.09Å; R141-L320 HydrophobicContact CG-CD1 4.47Å |
| 142 | I | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142 | 177 | 63.4 | 172 | 0 | 0 | 0 | 110.9 | H30 P31 E131 L144 L298 L317 Q318 I319 L320 | H30-I142 HydrophobicContact CB-CD1 4.29Å; H30-I142 HydrophobicContact CB-CG2 4.24Å; P31-I142 HydrophobicContact CB-CG2 3.93Å; E131-I142 WeakPolarHBondContact OE2-CA 3.39Å; E131-I142 VanDerWaalsContact OE2-CB 3.3Å; E131-I142 WeakPolarHBondContact OE2-CB 3.42Å; I142-L144 HydrophobicContact CD1-CB 4.32Å; I142-L144 HydrophobicContact CD1-CD2 3.95Å; I142-L144 HydrophobicContact CG1-CB 4.37Å; I142-L144 PolarHBondContact O-N 3.29Å; I142-L298 HydrophobicContact CD1-CD2 3.55Å; I142-L317 HydrophobicContact CD1-CD1 4.29Å; I142-L317 HydrophobicContact CD1-CD2 4.06Å; I142-L317 HydrophobicContact CD1-CG 4.41Å; I142-L317 HydrophobicContact CG1-CD1 4.18Å; I142-L317 HydrophobicContact CG1-CG 4.49Å; I142-L317 HydrophobicContact CG2-CD1 4.2Å; I142-Q318 PolarHBondContact N-O 2.94Å; I142-I319 HydrophobicContact CD1-CD1 3.51Å; I142-I319 HydrophobicContact CG1-CD1 3.54Å; I142-L320 PolarHBondContact O-N 3.32Å |
| 143 | I | 92.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | trans | -93 | 102 | 177.4 | -58.2 | -170.5 | 0 | 0 | 0 | 108 | E130 E131 E134 R147 L320 | E130-I143 HydrophobicContact CB-CD1 3.7Å; E130-I143 HydrophobicContact CG-CD1 3.35Å; E131-I143 HydrophobicContact CB-CB 4.22Å; E131-I143 HydrophobicContact CB-CD1 4.2Å; E131-I143 HydrophobicContact CB-CG1 3.99Å; E131-I143 HydrophobicContact CG-CG1 4.29Å; E131-I143 PolarHBondContact OE2-N 3.25Å; E134-I143 HydrophobicContact CG-CD1 4.17Å; I143-R147 HydrophobicContact CG2-CG 4.29Å; I143-R147 WeakPolarHBondContact O-CG 3.5Å; I143-L320 CarbonylContact C-O 3.6Å; I143-L320 WeakPolarHBondContact CA-O 3.47Å; I143-L320 HydrophobicContact CG1-CB 4.22Å | ||
| 144 | L | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -141.4 | -23.9 | -172 | -175.5 | 58.5 | 0 | 0 | 0 | 113.5 | A126 I142 E146 R147 F150 H291 Y294 I295 L298 I319 L320 | A126-L144 HydrophobicContact CB-CD1 4.42Å; I142-L144 HydrophobicContact CD1-CB 4.32Å; I142-L144 HydrophobicContact CD1-CD2 3.95Å; I142-L144 HydrophobicContact CG1-CB 4.37Å; I142-L144 PolarHBondContact O-N 3.29Å; L144-E146 VanDerWaalsContact C-N 3.29Å; L144-E146 PolarHBondContact O-N 3.36Å; L144-E146 VanDerWaalsContact O-N 3.15Å; L144-R147 HydrophobicContact CD1-CB 4.24Å; L144-R147 PolarHBondContact O-N 3Å; L144-F150 HydrophobicContact CD1-CE1 3.56Å; L144-F150 HydrophobicContact CD1-CZ 3.84Å; L144-H291 PolarHBondContact O-CE1 3.37Å; L144-H291 VanDerWaalsContact O-CE1 3.25Å; L144-H291 PolarHBondContact O-NE2 2.86Å; L144-H291 VanDerWaalsContact O-NE2 3.1Å; L144-Y294 HydrophobicContact CD1-CE1 4.45Å; L144-Y294 HydrophobicContact CD2-CD1 4.28Å; L144-Y294 HydrophobicContact CD2-CE1 3.87Å; L144-I295 HydrophobicContact CD2-CG1 3.88Å; L144-I295 HydrophobicContact CG-CG1 4.29Å; L144-L298 HydrophobicContact CD2-CD2 3.68Å; L144-I319 HydrophobicContact CB-CG2 4.12Å; L144-L320 PolarHBondContact N-O 3.02Å | ||
| 145 | R | 93.4 | Very high | 92.5 | Very high | 135 Ų | 135 | 44.5 Ų | 44.5 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -45 | -171.8 | -172.6 | 176.6 | -63.6 | -87.4 | -4.2 | 113.6 | K148 H291 I319 L320 | R145-K148 WeakPolarHBondContact O-CE 3.37Å; R145-H291 PolarHBondContact O-CE1 2.66Å; R145-H291 VanDerWaalsContact O-CE1 3.28Å; R145-I319 HydrophobicContact CB-CG2 4.36Å; R145-I319 PolarHBondContact NH2-O 2.74Å; R145-L320 VanDerWaalsContact CB-C 3.48Å; R145-L320 VanDerWaalsContact CB-O 3.32Å; R145-L320 WeakPolarHBondContact CB-O 2.96Å; R145-L320 WeakPolarHBondContact CB-OXT 3.47Å; R145-L320 PolarHBondContact N-O 3.05Å; R145-L320 PolarHBondContact NE-OXT 3Å |
| 146 | E | 92 | Very high | 92.7 | Very high | 142 Ų | 142 | 48.8 Ų | 48.8 | 66% | 0.664 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -3.1 | 179.5 | -60.8 | -53.1 | 142 | 0 | 0 | 113.5 | L144 K148 | L144-E146 VanDerWaalsContact C-N 3.29Å; L144-E146 PolarHBondContact O-N 3.36Å; L144-E146 VanDerWaalsContact O-N 3.15Å; E146-K148 VanDerWaalsContact C-N 3.26Å; E146-K148 PolarHBondContact O-N 3.39Å |
| 147 | R | 92.8 | Very high | 93 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | trans | -83.7 | 60 | -173.9 | -63 | -65.3 | -176.8 | 175.3 | -2 | 112.4 | E130 I143 L144 G149 F150 | E130-R147 IonicContact OE2-CZ 3.8Å; E130-R147 IonicContact OE2-NH2 2.81Å; E130-R147 PolarHBondContact OE2-NH2 2.76Å; I143-R147 HydrophobicContact CG2-CG 4.29Å; I143-R147 WeakPolarHBondContact O-CG 3.5Å; L144-R147 HydrophobicContact CD1-CB 4.24Å; L144-R147 PolarHBondContact O-N 3Å; R147-G149 VanDerWaalsContact C-N 3.31Å; R147-G149 PolarHBondContact O-N 3.32Å; R147-F150 VanDerWaalsContact O-CD1 3.22Å; R147-F150 WeakPolarHBondContact O-CD1 3.38Å; R147-F150 WeakPolarHBondContact O-CE1 3.48Å | ||
| 148 | K | 95 | Very high | 93 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 3.6 | -174.5 | -63.2 | 170.1 | -176.4 | 172.8 | 0 | 115.3 | R145 E146 F150 V151 K152 V287 N288 H291 | R145-K148 WeakPolarHBondContact O-CE 3.37Å; E146-K148 VanDerWaalsContact C-N 3.26Å; E146-K148 PolarHBondContact O-N 3.39Å; K148-F150 PolarHBondContact O-N 2.89Å; K148-V151 PolarHBondContact O-N 3.44Å; K148-K152 PolarHBondContact O-N 2.87Å; K148-K152 VanDerWaalsContact O-N 3.15Å; K148-V287 HydrophobicContact CB-CG1 3.8Å; K148-V287 HydrophobicContact CD-CG1 4.23Å; K148-V287 HydrophobicContact CG-CG1 4.32Å; K148-N288 WeakPolarHBondContact CE-OD1 3.37Å; K148-N288 PolarHBondContact NZ-OD1 3.29Å; K148-H291 HydrophobicContact CG-CB 4.42Å |
| 149 | G | 93 | Very high | 92.8 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 46% | 0.464 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.1 | -42.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | R147 V151 K152 V153 | R147-G149 VanDerWaalsContact C-N 3.31Å; R147-G149 PolarHBondContact O-N 3.32Å; G149-V151 VanDerWaalsContact C-N 3.33Å; G149-K152 PolarHBondContact O-N 3.42Å; G149-V153 WeakPolarHBondContact O-CG2 3.27Å; G149-V153 PolarHBondContact O-N 2.84Å |
| 150 | F | 94 | Very high | 91.9 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.5 | -33.7 | 178.9 | 67.1 | -93.3 | 0 | 0 | 0 | 112 | L26 V28 L144 R147 K148 V153 A154 L206 Y294 | L26-F150 HydrophobicContact CD2-CB 4.03Å; V28-F150 HydrophobicContact CG1-CD1 4.42Å; V28-F150 HydrophobicContact CG1-CE1 4.43Å; V28-F150 HydrophobicContact CG1-CG 4.48Å; V28-F150 HydrophobicContact CG2-CB 4.25Å; V28-F150 HydrophobicContact CG2-CD2 3.68Å; V28-F150 HydrophobicContact CG2-CE2 4.17Å; V28-F150 HydrophobicContact CG2-CG 3.97Å; L144-F150 HydrophobicContact CD1-CE1 3.56Å; L144-F150 HydrophobicContact CD1-CZ 3.84Å; R147-F150 VanDerWaalsContact O-CD1 3.22Å; R147-F150 WeakPolarHBondContact O-CD1 3.38Å; R147-F150 WeakPolarHBondContact O-CE1 3.48Å; K148-F150 PolarHBondContact O-N 2.89Å; F150-V153 PolarHBondContact O-N 3.31Å; F150-A154 PolarHBondContact O-N 2.78Å; F150-L206 HydrophobicContact CD2-CD2 3.71Å; F150-L206 HydrophobicContact CE2-CD1 4.46Å; F150-L206 HydrophobicContact CE2-CD2 4.25Å; F150-Y294 AromaticContact CE2-CD1 3.88Å; F150-Y294 HydrophobicContact CE2-CD1 3.88Å; F150-Y294 AromaticContact CE2-CD2 3.97Å; F150-Y294 HydrophobicContact CE2-CD2 3.97Å; F150-Y294 AromaticContact CE2-CE1 3.98Å; F150-Y294 HydrophobicContact CE2-CE1 3.98Å; F150-Y294 HydrophobicContact CE2-CE2 4.06Å; F150-Y294 AromaticContact CE2-CG 3.9Å; F150-Y294 HydrophobicContact CE2-CG 3.9Å; F150-Y294 AromaticContact CZ-CD1 3.66Å; F150-Y294 HydrophobicContact CZ-CD1 3.66Å; F150-Y294 AromaticContact CZ-CE1 3.68Å; F150-Y294 HydrophobicContact CZ-CE1 3.68Å; F150-Y294 HydrophobicContact CZ-CG 4.16Å |
| 151 | V | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 175.1 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | K148 G149 V153 A154 I155 L206 V287 V290 H291 | K148-V151 PolarHBondContact O-N 3.44Å; G149-V151 VanDerWaalsContact C-N 3.33Å; V151-V153 VanDerWaalsContact C-N 3.28Å; V151-V153 PolarHBondContact O-N 2.92Å; V151-A154 PolarHBondContact O-N 3.18Å; V151-I155 HydrophobicContact CG1-CD1 3.75Å; V151-I155 HydrophobicContact CG1-CG1 4.27Å; V151-I155 WeakPolarHBondContact O-CG1 3.44Å; V151-I155 PolarHBondContact O-N 2.62Å; V151-L206 HydrophobicContact CG2-CD1 4.27Å; V151-V287 HydrophobicContact CB-CG1 4.44Å; V151-V287 HydrophobicContact CG1-CG1 4.14Å; V151-V290 HydrophobicContact CG1-CB 3.72Å; V151-V290 HydrophobicContact CG1-CG1 3.66Å; V151-H291 HydrophobicContact CG2-CB 4.03Å |
| 152 | K | 95.2 | Very high | 88.2 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 50% | 0.504 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 175.4 | -68.2 | 178.9 | -179.7 | -174.1 | 0 | 112 | K148 G149 K156 V287 | K148-K152 PolarHBondContact O-N 2.87Å; K148-K152 VanDerWaalsContact O-N 3.15Å; G149-K152 PolarHBondContact O-N 3.42Å; K152-K156 WeakPolarHBondContact O-CB 3.48Å; K152-K156 PolarHBondContact O-N 3.22Å; K152-V287 HydrophobicContact CG-CG1 4.04Å; K152-V287 HydrophobicContact CG-CG2 3.81Å |
| 153 | V | 93.5 | Very high | 85.7 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -47.3 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | L26 V109 I113 G149 F150 V151 I155 K156 Y157 | L26-V153 HydrophobicContact CD2-CB 4.49Å; L26-V153 HydrophobicContact CD2-CG1 4.37Å; V109-V153 HydrophobicContact CG1-CG1 4.07Å; I113-V153 HydrophobicContact CD1-CG1 3.52Å; G149-V153 WeakPolarHBondContact O-CG2 3.27Å; G149-V153 PolarHBondContact O-N 2.84Å; F150-V153 PolarHBondContact O-N 3.31Å; V151-V153 VanDerWaalsContact C-N 3.28Å; V151-V153 PolarHBondContact O-N 2.92Å; V153-I155 PolarHBondContact O-N 3.15Å; V153-K156 PolarHBondContact O-N 3.45Å; V153-Y157 HydrophobicContact CG1-CD2 4.03Å; V153-Y157 HydrophobicContact CG1-CE2 4.3Å; V153-Y157 VanDerWaalsContact O-CD2 3.23Å; V153-Y157 WeakPolarHBondContact O-CD2 3.22Å; V153-Y157 PolarHBondContact O-N 2.73Å |
| 154 | A | 94 | Very high | 83.2 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L26 F150 V151 K156 Y157 G158 L206 V276 | L26-A154 HydrophobicContact CD2-CB 4.49Å; F150-A154 PolarHBondContact O-N 2.78Å; V151-A154 PolarHBondContact O-N 3.18Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 3.29Å; A154-Y157 CarbonylContact O-C 3.44Å; A154-Y157 PolarHBondContact O-N 2.96Å; A154-G158 VanDerWaalsContact O-CA 3.26Å; A154-G158 WeakPolarHBondContact O-CA 3.15Å; A154-G158 PolarHBondContact O-N 3.08Å; A154-L206 HydrophobicContact CB-CD1 3.85Å; A154-L206 HydrophobicContact CB-CD2 3.48Å; A154-L206 VanDerWaalsContact CB-CD2 3.48Å; A154-L206 HydrophobicContact CB-CG 3.43Å; A154-L206 VanDerWaalsContact CB-CG 3.43Å; A154-V276 HydrophobicContact CB-CG2 4.32Å |
| 155 | I | 94.7 | Very high | 80.5 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 175 | -64.4 | 164.6 | 0 | 0 | 0 | 110.8 | V151 V153 Y157 G158 V276 R278 N279 P282 V287 V290 | V151-I155 HydrophobicContact CG1-CD1 3.75Å; V151-I155 HydrophobicContact CG1-CG1 4.27Å; V151-I155 WeakPolarHBondContact O-CG1 3.44Å; V151-I155 PolarHBondContact O-N 2.62Å; V153-I155 PolarHBondContact O-N 3.15Å; I155-Y157 PolarHBondContact O-N 3.37Å; I155-G158 PolarHBondContact O-N 3.29Å; I155-V276 HydrophobicContact CB-CG1 4.04Å; I155-V276 HydrophobicContact CG1-CG1 3.38Å; I155-R278 VanDerWaalsContact O-CA 3.24Å; I155-R278 WeakPolarHBondContact O-CA 3.32Å; I155-N279 HydrophobicContact CG2-CB 3.76Å; I155-N279 PolarHBondContact O-N 2.81Å; I155-P282 HydrophobicContact CB-CB 4.27Å; I155-P282 HydrophobicContact CD1-CB 4.17Å; I155-P282 HydrophobicContact CG2-CB 3.66Å; I155-P282 HydrophobicContact CG2-CG 4.28Å; I155-V287 HydrophobicContact CD1-CB 4.39Å; I155-V287 HydrophobicContact CD1-CG2 3.89Å; I155-V290 HydrophobicContact CD1-CB 4.31Å; I155-V290 HydrophobicContact CD1-CG2 4.12Å; I155-V290 HydrophobicContact CG1-CG2 4.24Å |
| 156 | K | 92.1 | Very high | 77.9 | Confident | 96 Ų | 96 | 69.3 Ų | 69.3 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.2 | -32.5 | 179.8 | -171.3 | 172.6 | -176.6 | 177.2 | 0 | 113.1 | K152 V153 A154 N279 | K152-K156 WeakPolarHBondContact O-CB 3.48Å; K152-K156 PolarHBondContact O-N 3.22Å; V153-K156 PolarHBondContact O-N 3.45Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 3.29Å; K156-N279 WeakPolarHBondContact CA-O 3.2Å |
| 157 | Y | 91.7 | Very high | 75.1 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 18.1 | -176.2 | -57.3 | -68.1 | 0 | 0 | 0 | 113.4 | S110 I113 T114 V153 A154 I155 V204 | S110-Y157 WeakPolarHBondContact CB-OH 3.32Å; S110-Y157 WeakPolarHBondContact OG-CE2 3.01Å; S110-Y157 PolarHBondContact OG-OH 3.06Å; I113-Y157 HydrophobicContact CD1-CD2 3.54Å; I113-Y157 HydrophobicContact CD1-CE2 4.22Å; I113-Y157 HydrophobicContact CD1-CG 4.09Å; I113-Y157 HydrophobicContact CG1-CD2 4.21Å; I113-Y157 HydrophobicContact CG1-CG 4.39Å; T114-Y157 HydrophobicContact CG2-CD1 3.29Å; T114-Y157 HydrophobicContact CG2-CE1 3.45Å; T114-Y157 VanDerWaalsContact CG2-CE1 3.45Å; T114-Y157 HydrophobicContact CG2-CG 3.94Å; V153-Y157 HydrophobicContact CG1-CD2 4.03Å; V153-Y157 HydrophobicContact CG1-CE2 4.3Å; V153-Y157 VanDerWaalsContact O-CD2 3.23Å; V153-Y157 WeakPolarHBondContact O-CD2 3.22Å; V153-Y157 PolarHBondContact O-N 2.73Å; A154-Y157 CarbonylContact O-C 3.44Å; A154-Y157 PolarHBondContact O-N 2.96Å; I155-Y157 PolarHBondContact O-N 3.37Å; Y157-V204 WeakPolarHBondContact O-CB 3.41Å; Y157-V204 VanDerWaalsContact O-CG2 3.32Å; Y157-V204 WeakPolarHBondContact O-CG2 3.29Å; Y157-V204 PolarHBondContact O-N 3.32Å |
| 158 | G | 90.1 | Very high | 72.5 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -67.1 | -174.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A154 I155 K160 V276 | A154-G158 VanDerWaalsContact O-CA 3.26Å; A154-G158 WeakPolarHBondContact O-CA 3.15Å; A154-G158 PolarHBondContact O-N 3.08Å; I155-G158 PolarHBondContact O-N 3.29Å; G158-K160 PolarHBondContact O-N 2.87Å; G158-V276 CarbonylContact C-O 3.58Å; G158-V276 VanDerWaalsContact CA-O 3.25Å; G158-V276 WeakPolarHBondContact CA-O 3.36Å |
| 159 | C | 82.7 | Confident | 70.1 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -70.5 | 127.7 | 173.5 | -168.3 | 0 | 0 | 0 | 0 | 109.8 | R161 V276 R278 | C159-R161 PolarHBondContact O-N 3.2Å; C159-V276 PolarHBondContact N-O 2.83Å; C159-R278 PolarHBondContact O-N 3Å |
| 160 | K | 70.2 | Confident | 68 | Low | 115 Ų | 115 | 66.3 Ų | 66.3 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | trans | -76.2 | 114.6 | 173.5 | -168 | 174 | -176.9 | 178 | 0 | 108 | G158 L162 R278 | G158-K160 PolarHBondContact O-N 2.87Å; K160-L162 PolarHBondContact O-N 3.31Å; K160-L162 VanDerWaalsContact O-N 3.09Å; K160-R278 HydrophobicContact CB-CB 4.48Å | ||
| 161 | R | 58.3 | Low | 65.7 | Low | 191 Ų | 191 | 66.3 Ų | 66.3 | 72% | 0.721 | 37% | 0.373 | S | S | * | . | trans | -62.9 | 114.1 | 173.3 | -160.8 | 174.3 | -175.3 | 163 | -0.4 | 108.2 | C159 G163 E277 | C159-R161 PolarHBondContact O-N 3.2Å; R161-G163 PolarHBondContact O-N 3.5Å; R161-E277 HydrophobicContact CB-CG 4.36Å; R161-E277 WeakPolarHBondContact CB-OE1 3.49Å; R161-E277 WeakPolarHBondContact CD-OE1 3.12Å; R161-E277 IonicContact NH1-OE2 3.25Å | ||
| 162 | L | 50.7 | Low | 63.1 | Low | 75 Ų | 75 | 75 Ų | 75 | 39% | 0.393 | 41% | 0.406 | S | S | . | . | trans | -76.8 | 115.4 | 173.9 | -65.2 | 167.9 | 0 | 0 | 0 | 107 | K160 S187 | K160-L162 PolarHBondContact O-N 3.31Å; K160-L162 VanDerWaalsContact O-N 3.09Å; L162-S187 WeakPolarHBondContact CD1-OG 3.49Å; L162-S187 WeakPolarHBondContact CD2-OG 3.48Å | ||
| 163 | G | 42.9 | Very low | 60.9 | Low | 45 Ų | 45 | 74.8 Ų | 74.8 | 46% | 0.464 | 40% | 0.402 | S | S | . | . | trans | -56.9 | 146.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R161 S165 | R161-G163 PolarHBondContact O-N 3.5Å; G163-S165 PolarHBondContact O-N 3.05Å | ||
| 164 | A | 40.6 | Very low | 58.2 | Low | 115 Ų | 115 | 82.5 Ų | 82.5 | 95% | 0.95 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 4.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 165 | S | 37 | Very low | 56.3 | Low | 117 Ų | 117 | 85.6 Ų | 85.6 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 6.4 | -174.7 | -64.3 | 0 | 0 | 0 | 0 | 115.4 | G163 A167 | G163-S165 PolarHBondContact O-N 3.05Å; S165-A167 PolarHBondContact O-N 3.22Å |
| 166 | F | 39.5 | Very low | 54.2 | Low | 113 Ų | 113 | 91 Ų | 91 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | trans | -78.5 | 109.3 | 175 | -75.4 | -80 | 0 | 0 | 0 | 110.9 | C168 | F166-C168 PolarHBondContact O-N 3.29Š| ||
| 167 | A | 33.3 | Very low | 52.4 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | trans | -50.3 | 134.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S165 V169 F186 | S165-A167 PolarHBondContact O-N 3.22Å; A167-V169 PolarHBondContact O-N 2.92Å; A167-F186 WeakPolarHBondContact O-CB 3.49Å; A167-F186 PolarHBondContact O-N 2.82Å | ||
| 168 | C | 38.1 | Very low | 50.4 | Low | 60 Ų | 60 | 97.9 Ų | 97.9 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 123.3 | -178.6 | -135.3 | 0 | 0 | 0 | 0 | 110.6 | F166 I170 R183 L184 | F166-C168 PolarHBondContact O-N 3.29Å; C168-I170 PolarHBondContact O-N 2.79Å; C168-R183 HydrophobicContact CB-CB 4.38Å; C168-R183 HydrophobicContact CB-CG 4.26Å; C168-R183 WeakPolarHBondContact SG-CB 3.25Å; C168-L184 CarbonylContact C-O 3.58Å; C168-L184 WeakPolarHBondContact CA-O 3.43Å; C168-L184 PolarHBondContact SG-N 3.33Å; C168-L184 VanDerWaalsContact SG-N 3.38Å; C168-L184 PolarHBondContact SG-O 3.22Å; C168-L184 VanDerWaalsContact SG-O 3.34Å |
| 169 | V | 44.5 | Very low | 48.6 | Very low | 46 Ų | 46 | 103 Ų | 103 | 28% | 0.279 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -55.9 | 100.2 | 158.1 | 153.5 | 0 | 0 | 0 | 0 | 111.2 | A167 C171 L184 F186 | A167-V169 PolarHBondContact O-N 2.92Å; V169-C171 PolarHBondContact O-N 3.12Å; V169-L184 WeakPolarHBondContact CA-O 3.39Å; V169-L184 PolarHBondContact N-O 2.85Å; V169-L184 PolarHBondContact O-N 3.44Å; V169-F186 HydrophobicContact CG2-CB 4Å; V169-F186 HydrophobicContact CG2-CD2 3.25Å; V169-F186 HydrophobicContact CG2-CE2 3.97Å; V169-F186 HydrophobicContact CG2-CG 4Å |
| 170 | I | 49.8 | Very low | 46.9 | Very low | 81 Ų | 81 | 103.3 Ų | 103.3 | 42% | 0.415 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 104.6 | 160.2 | -62 | 179 | 0 | 0 | 0 | 106.4 | C168 E181 R183 | C168-I170 PolarHBondContact O-N 2.79Å; I170-E181 HydrophobicContact CG2-CG 3.93Å; I170-E181 VanDerWaalsContact CG2-OE1 3.25Å; I170-E181 WeakPolarHBondContact CG2-OE1 3.48Å; I170-R183 HydrophobicContact CG1-CG 3.89Å |
| 171 | C | 44.7 | Very low | 45.7 | Very low | 13 Ų | 13 | 102.7 Ų | 102.7 | 9% | 0.088 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.4 | 168.9 | -71.8 | 0 | 0 | 0 | 0 | 110.1 | V169 W173 E181 A182 | V169-C171 PolarHBondContact O-N 3.12Å; C171-W173 HydrophobicContact CB-CE3 3.7Å; C171-W173 HydrophobicContact CB-CH2 3.48Å; C171-W173 VanDerWaalsContact CB-CH2 3.48Å; C171-W173 HydrophobicContact CB-CZ2 4.47Å; C171-W173 HydrophobicContact CB-CZ3 3.04Å; C171-E181 WeakPolarHBondContact O-CA 3.21Å; C171-A182 PolarHBondContact N-O 2.85Å; C171-A182 PolarHBondContact O-N 3.33Å |
| 172 | R | 42.1 | Very low | 45.1 | Very low | 182 Ų | 182 | 95.1 Ų | 95.1 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.9 | 172.2 | -76.4 | 177.8 | -173.7 | -165.3 | -3.2 | 109.3 | E181 | R172-E181 HydrophobicContact CG-CG 3.46Å; R172-E181 VanDerWaalsContact CG-CG 3.46Å; R172-E181 IonicContact CZ-OE1 3.08Å; R172-E181 IonicContact NE-OE1 2.64Å; R172-E181 PolarHBondContact NE-OE1 3.2Å; R172-E181 IonicContact NH2-OE1 2.71Å; R172-E181 PolarHBondContact NH2-OE1 2.62Å |
| 173 | W | 48.6 | Very low | 44.9 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 43% | 0.428 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135 | 142 | 166.9 | 34.6 | 75.5 | 0 | 0 | 0 | 110.8 | C171 V180 A182 | C171-W173 HydrophobicContact CB-CE3 3.7Å; C171-W173 HydrophobicContact CB-CH2 3.48Å; C171-W173 VanDerWaalsContact CB-CH2 3.48Å; C171-W173 HydrophobicContact CB-CZ2 4.47Å; C171-W173 HydrophobicContact CB-CZ3 3.04Å; W173-V180 PolarHBondContact N-O 3.45Å; W173-V180 VanDerWaalsContact N-O 3.16Å; W173-V180 PolarHBondContact O-N 3.11Å; W173-A182 HydrophobicContact CH2-CB 4.24Å; W173-A182 HydrophobicContact CZ2-CB 3.81Å |
| 174 | K | 35.8 | Very low | 45 | Very low | 184 Ų | 184 | 101 Ų | 101 | 80% | 0.8 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.4 | 173.5 | -90.1 | -179 | 176.1 | -175.2 | 0 | 109.1 | N179 | K174-N179 WeakPolarHBondContact CE-OD1 3.32Å; K174-N179 WeakPolarHBondContact CG-OD1 3.13Å |
| 175 | T | 53.9 | Low | 45.3 | Very low | 66 Ų | 66 | 97.6 Ų | 97.6 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 167.7 | 166.4 | 70.8 | 0 | 0 | 0 | 0 | 109.3 | R177 G178 V180 | T175-R177 PolarHBondContact O-N 2.92Å; T175-R177 PolarHBondContact OG1-N 2.92Å; T175-G178 PolarHBondContact N-O 2.94Å; T175-G178 PolarHBondContact O-N 2.86Å; T175-G178 PolarHBondContact OG1-O 2.81Å; T175-V180 HydrophobicContact CG2-CG2 3.78Å |
| 176 | A | 51.2 | Low | 45.5 | Very low | 117 Ų | 117 | 97.7 Ų | 97.7 | 97% | 0.967 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -14.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 177 | R | 54.4 | Low | 45.7 | Very low | 248 Ų | 248 | 94 Ų | 94 | 94% | 0.936 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 8.6 | 178.4 | -58.4 | -174 | -165.9 | 175 | 4.1 | 113.8 | T175 | T175-R177 PolarHBondContact O-N 2.92Å; T175-R177 PolarHBondContact OG1-N 2.92Å |
| 178 | G | 50.7 | Low | 46.2 | Very low | 37 Ų | 37 | 92.1 Ų | 92.1 | 38% | 0.381 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.9 | -175.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T175 | T175-G178 PolarHBondContact N-O 2.94Å; T175-G178 PolarHBondContact O-N 2.86Å; T175-G178 PolarHBondContact OG1-O 2.81Å |
| 179 | N | 52.1 | Low | 46.4 | Very low | 110 Ų | 110 | 91 Ų | 91 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 126.5 | 176.6 | -71.3 | -19.6 | 0 | 0 | 0 | 109.7 | K174 | K174-N179 WeakPolarHBondContact CE-OD1 3.32Å; K174-N179 WeakPolarHBondContact CG-OD1 3.13Å |
| 180 | V | 46.9 | Very low | 46.4 | Very low | 65 Ų | 65 | 93.1 Ų | 93.1 | 39% | 0.394 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.3 | 172.2 | -168.8 | 0 | 0 | 0 | 0 | 107.7 | W173 T175 | W173-V180 PolarHBondContact N-O 3.45Å; W173-V180 VanDerWaalsContact N-O 3.16Å; W173-V180 PolarHBondContact O-N 3.11Å; T175-V180 HydrophobicContact CG2-CG2 3.78Å |
| 181 | E | 44.2 | Very low | 45.8 | Very low | 102 Ų | 102 | 97.9 Ų | 97.9 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.6 | 169.5 | -88.7 | -172.7 | 146.1 | 0 | 0 | 109.6 | I170 C171 R172 | I170-E181 HydrophobicContact CG2-CG 3.93Å; I170-E181 VanDerWaalsContact CG2-OE1 3.25Å; I170-E181 WeakPolarHBondContact CG2-OE1 3.48Å; C171-E181 WeakPolarHBondContact O-CA 3.21Å; R172-E181 HydrophobicContact CG-CG 3.46Å; R172-E181 VanDerWaalsContact CG-CG 3.46Å; R172-E181 IonicContact CZ-OE1 3.08Å; R172-E181 IonicContact NE-OE1 2.64Å; R172-E181 PolarHBondContact NE-OE1 3.2Å; R172-E181 IonicContact NH2-OE1 2.71Å; R172-E181 PolarHBondContact NH2-OE1 2.62Å |
| 182 | A | 47.1 | Very low | 45.5 | Very low | 31 Ų | 31 | 104.3 Ų | 104.3 | 26% | 0.256 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | C171 W173 | C171-A182 PolarHBondContact N-O 2.85Å; C171-A182 PolarHBondContact O-N 3.33Å; W173-A182 HydrophobicContact CH2-CB 4.24Å; W173-A182 HydrophobicContact CZ2-CB 3.81Å |
| 183 | R | 44.9 | Very low | 45.2 | Very low | 190 Ų | 190 | 103 Ų | 103 | 72% | 0.717 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111.9 | 171.4 | -92.4 | -172.7 | -164.8 | -176.2 | 5.9 | 108.3 | C168 I170 | C168-R183 HydrophobicContact CB-CB 4.38Å; C168-R183 HydrophobicContact CB-CG 4.26Å; C168-R183 WeakPolarHBondContact SG-CB 3.25Å; I170-R183 HydrophobicContact CG1-CG 3.89Å |
| 184 | L | 46.1 | Very low | 44.7 | Very low | 53 Ų | 53 | 108 Ų | 108 | 28% | 0.277 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.2 | 174.8 | -66.1 | 173.8 | 0 | 0 | 0 | 110.8 | C168 V169 F189 | C168-L184 CarbonylContact C-O 3.58Å; C168-L184 WeakPolarHBondContact CA-O 3.43Å; C168-L184 PolarHBondContact SG-N 3.33Å; C168-L184 VanDerWaalsContact SG-N 3.38Å; C168-L184 PolarHBondContact SG-O 3.22Å; C168-L184 VanDerWaalsContact SG-O 3.34Å; V169-L184 WeakPolarHBondContact CA-O 3.39Å; V169-L184 PolarHBondContact N-O 2.85Å; V169-L184 PolarHBondContact O-N 3.44Å; L184-F189 HydrophobicContact CD1-CE2 4.36Å |
| 185 | P | 46.4 | Very low | 44.8 | Very low | 44 Ų | 44 | 108.5 Ų | 108.5 | 29% | 0.286 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.3 | 179.1 | 23 | -28.3 | 0 | 0 | 0 | 111.5 | S187 E188 | P185-S187 PolarHBondContact O-N 2.9Å; P185-E188 HydrophobicContact CG-CG 4.21Å; P185-E188 PolarHBondContact O-N 2.83Å; P185-E188 VanDerWaalsContact O-N 3.12Å |
| 186 | F | 42 | Very low | 44.1 | Very low | 120 Ų | 120 | 109.7 Ų | 109.7 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -56.9 | -25.1 | -173.5 | -169.9 | -118.2 | 0 | 0 | 0 | 114.5 | A167 V169 E188 F189 | A167-F186 WeakPolarHBondContact O-CB 3.49Å; A167-F186 PolarHBondContact O-N 2.82Å; V169-F186 HydrophobicContact CG2-CB 4Å; V169-F186 HydrophobicContact CG2-CD2 3.25Å; V169-F186 HydrophobicContact CG2-CE2 3.97Å; V169-F186 HydrophobicContact CG2-CG 4Å; F186-E188 PolarHBondContact O-N 3.14Å; F186-F189 PolarHBondContact O-N 2.9Å |
| 187 | S | 43.1 | Very low | 43.6 | Very low | 34 Ų | 34 | 110.4 Ų | 110.4 | 24% | 0.238 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -64.5 | -5.6 | 177.7 | 49.9 | 0 | 0 | 0 | 0 | 115.2 | L162 P185 | L162-S187 WeakPolarHBondContact CD1-OG 3.49Å; L162-S187 WeakPolarHBondContact CD2-OG 3.48Å; P185-S187 PolarHBondContact O-N 2.9Å |
| 188 | E | 44.2 | Very low | 43.1 | Very low | 38 Ų | 38 | 103 Ų | 103 | 18% | 0.178 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -88.3 | -3 | 175.3 | -61.5 | -168.3 | 145.3 | 0 | 0 | 113.9 | P185 F186 L198 F199 | P185-E188 HydrophobicContact CG-CG 4.21Å; P185-E188 PolarHBondContact O-N 2.83Å; P185-E188 VanDerWaalsContact O-N 3.12Å; F186-E188 PolarHBondContact O-N 3.14Å; E188-L198 HydrophobicContact CB-CD1 3.58Å; E188-L198 HydrophobicContact CB-CG 4.27Å; E188-L198 HydrophobicContact CG-CD1 4.44Å; E188-L198 CarbonylContact O-C 3.57Å; E188-L198 VanDerWaalsContact O-CA 3.26Å; E188-L198 WeakPolarHBondContact O-CA 3.3Å; E188-L198 WeakPolarHBondContact OE2-CD1 3.46Å; E188-F199 PolarHBondContact O-N 3.24Å |
| 189 | F | 42.1 | Very low | 42.8 | Very low | 37 Ų | 37 | 106 Ų | 106 | 16% | 0.162 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.5 | -173.4 | -72.9 | -78.4 | 0 | 0 | 0 | 114 | L184 F186 L196 L198 | L184-F189 HydrophobicContact CD1-CE2 4.36Å; F186-F189 PolarHBondContact O-N 2.9Å; F189-L196 HydrophobicContact CB-CD2 4.25Å; F189-L196 HydrophobicContact CD1-CB 3.56Å; F189-L196 HydrophobicContact CD1-CD2 3.39Å; F189-L196 HydrophobicContact CD1-CG 3.75Å; F189-L196 HydrophobicContact CD2-CD2 3.97Å; F189-L196 HydrophobicContact CE1-CB 3.59Å; F189-L196 HydrophobicContact CE1-CD2 3.54Å; F189-L196 HydrophobicContact CE1-CG 4.06Å; F189-L196 HydrophobicContact CE2-CD2 4.09Å; F189-L196 HydrophobicContact CG-CD2 3.6Å; F189-L196 HydrophobicContact CG-CG 4.27Å; F189-L196 HydrophobicContact CZ-CD2 3.87Å; F189-L198 HydrophobicContact CE1-CB 4.42Å; F189-L198 HydrophobicContact CE1-CD1 4.07Å; F189-L198 HydrophobicContact CE2-CD1 3.88Å; F189-L198 HydrophobicContact CZ-CD1 3.66Å |
| 190 | V | 43.3 | Very low | 42.8 | Very low | 90 Ų | 90 | 105.9 Ų | 105.9 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.3 | 165.3 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | K192 | V190-K192 PolarHBondContact O-N 2.87Å |
| 191 | W | 38.7 | Very low | 43.2 | Very low | 181 Ų | 181 | 108.1 Ų | 108.1 | 69% | 0.686 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 115.1 | 177.1 | -106 | 73.5 | 0 | 0 | 0 | 110.9 | R194 | W191-R194 HydrophobicContact CE3-CG 4.49Å; W191-R194 HydrophobicContact CH2-CB 4.11Å; W191-R194 HydrophobicContact CH2-CG 3.96Å; W191-R194 VanDerWaalsContact CZ3-CA 3.42Å; W191-R194 HydrophobicContact CZ3-CB 3.9Å; W191-R194 HydrophobicContact CZ3-CG 3.51Å |
| 192 | K | 37 | Very low | 43.9 | Very low | 148 Ų | 148 | 104.9 Ų | 104.9 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 117.3 | 168.6 | -153.3 | 174.5 | -174.4 | 177.7 | 0 | 109.3 | V190 | V190-K192 PolarHBondContact O-N 2.87Å |
| 193 | N | 36.2 | Very low | 45.5 | Very low | 154 Ų | 154 | 103.9 Ų | 103.9 | 82% | 0.824 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 52.5 | -178 | -66.5 | -8.6 | 0 | 0 | 0 | 115 | R195 | N193-R195 PolarHBondContact O-N 2.79Š|
| 194 | R | 39 | Very low | 47.6 | Very low | 218 Ų | 218 | 95 Ų | 95 | 82% | 0.823 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 19.1 | 174.5 | -65.6 | -179.9 | -173.9 | -136.9 | 5.3 | 115.7 | W191 | W191-R194 HydrophobicContact CE3-CG 4.49Å; W191-R194 HydrophobicContact CH2-CB 4.11Å; W191-R194 HydrophobicContact CH2-CG 3.96Å; W191-R194 VanDerWaalsContact CZ3-CA 3.42Å; W191-R194 HydrophobicContact CZ3-CB 3.9Å; W191-R194 HydrophobicContact CZ3-CG 3.51Å |
| 195 | R | 37.4 | Very low | 49.9 | Very low | 195 Ų | 195 | 92.5 Ų | 92.5 | 74% | 0.736 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.5 | 171.6 | -67.3 | -171.5 | -175.7 | -168.7 | 2.2 | 110 | N193 K197 | N193-R195 PolarHBondContact O-N 2.79Å; R195-K197 PolarHBondContact O-N 3.24Å |
| 196 | L | 39 | Very low | 52.3 | Low | 91 Ų | 91 | 90.4 Ų | 90.4 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 113.6 | 168 | -90.3 | 96.7 | 0 | 0 | 0 | 108.1 | F189 | F189-L196 HydrophobicContact CB-CD2 4.25Å; F189-L196 HydrophobicContact CD1-CB 3.56Å; F189-L196 HydrophobicContact CD1-CD2 3.39Å; F189-L196 HydrophobicContact CD1-CG 3.75Å; F189-L196 HydrophobicContact CD2-CD2 3.97Å; F189-L196 HydrophobicContact CE1-CB 3.59Å; F189-L196 HydrophobicContact CE1-CD2 3.54Å; F189-L196 HydrophobicContact CE1-CG 4.06Å; F189-L196 HydrophobicContact CE2-CD2 4.09Å; F189-L196 HydrophobicContact CG-CD2 3.6Å; F189-L196 HydrophobicContact CG-CG 4.27Å; F189-L196 HydrophobicContact CZ-CD2 3.87Å |
| 197 | K | 40.5 | Very low | 54.9 | Low | 132 Ų | 132 | 84.7 Ų | 84.7 | 57% | 0.574 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.8 | 165.9 | -78.5 | -171 | 175.6 | -173.4 | 0 | 108.4 | R195 F199 | R195-K197 PolarHBondContact O-N 3.24Å; K197-F199 PolarHBondContact O-N 3.42Å |
| 198 | L | 43.9 | Very low | 57.5 | Low | 93 Ų | 93 | 83.2 Ų | 83.2 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 101.7 | 172.4 | -159 | 81.6 | 0 | 0 | 0 | 108 | E188 F189 R200 | E188-L198 HydrophobicContact CB-CD1 3.58Å; E188-L198 HydrophobicContact CB-CG 4.27Å; E188-L198 HydrophobicContact CG-CD1 4.44Å; E188-L198 CarbonylContact O-C 3.57Å; E188-L198 VanDerWaalsContact O-CA 3.26Å; E188-L198 WeakPolarHBondContact O-CA 3.3Å; E188-L198 WeakPolarHBondContact OE2-CD1 3.46Å; F189-L198 HydrophobicContact CE1-CB 4.42Å; F189-L198 HydrophobicContact CE1-CD1 4.07Å; F189-L198 HydrophobicContact CE2-CD1 3.88Å; F189-L198 HydrophobicContact CZ-CD1 3.66Å; L198-R200 PolarHBondContact O-N 3.32Å |
| 199 | F | 44.1 | Very low | 60.1 | Low | 101 Ų | 101 | 81.4 Ų | 81.4 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | trans | -94.6 | 79.8 | 168.9 | -111.4 | -87.8 | 0 | 0 | 0 | 106.8 | P116 E188 K197 H201 | P116-F199 HydrophobicContact CB-CE1 4.43Å; E188-F199 PolarHBondContact O-N 3.24Å; K197-F199 PolarHBondContact O-N 3.42Å; F199-H201 PolarHBondContact O-N 2.85Å | ||
| 200 | R | 52.4 | Low | 62.7 | Low | 107 Ų | 107 | 79.7 Ų | 79.7 | 40% | 0.404 | 36% | 0.357 | S | S | . | . | trans | -63 | 106.7 | 163.8 | -148.3 | 174.1 | 178.1 | -143.7 | -9.3 | 105.2 | N20 E23 L198 C202 | N20-R200 PolarHBondContact ND2-NH1 2.78Å; E23-R200 IonicContact OE1-CZ 2.68Å; E23-R200 VanDerWaalsContact OE1-CZ 3.25Å; E23-R200 IonicContact OE1-NH1 2.62Å; E23-R200 PolarHBondContact OE1-NH1 2.86Å; E23-R200 IonicContact OE1-NH2 3.31Å; E23-R200 PolarHBondContact OE1-NH2 2.93Å; L198-R200 PolarHBondContact O-N 3.32Å; R200-C202 PolarHBondContact O-N 2.9Å | ||
| 201 | H | 54.5 | Low | 65.2 | Low | 112 Ų | 112 | 75.5 Ų | 75.5 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | trans | -49.2 | 120.2 | 174.3 | -107 | -61.6 | 0 | 0 | 0 | 107.1 | F199 S203 | F199-H201 PolarHBondContact O-N 2.85Å; H201-S203 PolarHBondContact O-N 3.39Å | ||
| 202 | C | 59.4 | Low | 68 | Low | 34 Ų | 34 | 67 Ų | 67 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | trans | -51.5 | 108.4 | -172 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | T114 R115 R200 | T114-C202 PolarHBondContact O-SG 2.78Å; T114-C202 VanDerWaalsContact O-SG 3.38Å; R115-C202 PolarHBondContact O-SG 3.18Å; R200-C202 PolarHBondContact O-N 2.9Å | ||
| 203 | S | 80.2 | Confident | 70.7 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | trans | -85.3 | 134.8 | 173.8 | 53.8 | 0 | 0 | 0 | 0 | 108.7 | N24 H201 | N24-S203 PolarHBondContact N-O 3.16Å; H201-S203 PolarHBondContact O-N 3.39Å | ||
| 204 | V | 91 | Very high | 73.4 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.7 | 170.9 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | N24 L26 I113 Y157 | N24-V204 HydrophobicContact CB-CG2 4.3Å; N24-V204 WeakPolarHBondContact O-CA 3.41Å; L26-V204 HydrophobicContact CB-CG1 4.02Å; I113-V204 HydrophobicContact CB-CG1 4.42Å; I113-V204 HydrophobicContact CB-CG2 3.67Å; I113-V204 HydrophobicContact CD1-CG2 4.24Å; I113-V204 HydrophobicContact CG1-CG2 4Å; I113-V204 WeakPolarHBondContact O-CG2 3.37Å; Y157-V204 WeakPolarHBondContact O-CB 3.41Å; Y157-V204 VanDerWaalsContact O-CG2 3.32Å; Y157-V204 WeakPolarHBondContact O-CG2 3.29Å; Y157-V204 PolarHBondContact O-N 3.32Å |
| 205 | A | 94.1 | Very high | 75.9 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N24 Y25 L26 P273 | N24-A205 PolarHBondContact O-N 2.9Å; Y25-A205 WeakPolarHBondContact CA-O 3.38Å; Y25-A205 HydrophobicContact CD1-CB 3.99Å; Y25-A205 HydrophobicContact CE1-CB 4.11Å; L26-A205 PolarHBondContact N-O 3.42Å; A205-P273 HydrophobicContact CB-CB 3.9Å |
| 206 | L | 96.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 136.6 | 170.4 | -75.4 | 172.2 | 0 | 0 | 0 | 109.4 | L26 V28 F150 V151 A154 P273 I274 V276 V290 Y294 | L26-L206 HydrophobicContact CB-CD2 4.16Å; L26-L206 HydrophobicContact CD2-CD2 3.93Å; L26-L206 HydrophobicContact CG-CD2 4.3Å; V28-L206 HydrophobicContact CG2-CD2 4.43Å; F150-L206 HydrophobicContact CD2-CD2 3.71Å; F150-L206 HydrophobicContact CE2-CD1 4.46Å; F150-L206 HydrophobicContact CE2-CD2 4.25Å; V151-L206 HydrophobicContact CG2-CD1 4.27Å; A154-L206 HydrophobicContact CB-CD1 3.85Å; A154-L206 HydrophobicContact CB-CD2 3.48Å; A154-L206 VanDerWaalsContact CB-CD2 3.48Å; A154-L206 HydrophobicContact CB-CG 3.43Å; A154-L206 VanDerWaalsContact CB-CG 3.43Å; L206-P273 CarbonylContact O-C 3.58Å; L206-I274 HydrophobicContact CB-CB 4.23Å; L206-I274 PolarHBondContact N-O 3.23Å; L206-I274 PolarHBondContact O-N 3.4Å; L206-V276 HydrophobicContact CD1-CG2 3.94Å; L206-V276 HydrophobicContact CG-CG2 4.08Å; L206-V290 HydrophobicContact CD1-CG1 3.93Å; L206-Y294 HydrophobicContact CB-CD2 4.29Å; L206-Y294 HydrophobicContact CD1-CD2 4.41Å |
| 207 | V | 97.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 114.7 | 176 | -173.1 | 0 | 0 | 0 | 0 | 109 | L19 Y25 L26 I27 V28 V270 G271 P273 | L19-V207 HydrophobicContact CD2-CG2 4.41Å; Y25-V207 HydrophobicContact CD1-CG2 3.63Å; Y25-V207 HydrophobicContact CG-CG2 4.2Å; L26-V207 PolarHBondContact O-N 2.68Å; I27-V207 WeakPolarHBondContact CA-O 3.24Å; I27-V207 HydrophobicContact CB-CB 4.41Å; I27-V207 HydrophobicContact CG1-CB 4.02Å; I27-V207 HydrophobicContact CG1-CG2 4.35Å; V28-V207 PolarHBondContact N-O 3.03Å; V207-V270 HydrophobicContact CG1-CG1 3.55Å; V207-G271 WeakPolarHBondContact CG1-O 3.46Å; V207-P273 HydrophobicContact CG2-CB 4.29Å |
| 208 | P | 97.9 | Very high | 82.9 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 139.4 | 172.7 | 29.2 | -30.7 | 0 | 0 | 0 | 109.8 | G271 C272 I274 Y294 E297 L298 | P208-G271 WeakPolarHBondContact O-CA 3.28Å; P208-G271 PolarHBondContact O-N 3.04Å; P208-C272 WeakPolarHBondContact CD-O 3.28Å; P208-I274 HydrophobicContact CG-CD1 4.45Å; P208-Y294 HydrophobicContact CB-CE2 3.83Å; P208-E297 HydrophobicContact CG-CB 4.25Å; P208-L298 HydrophobicContact CB-CB 4.11Å; P208-L298 HydrophobicContact CB-CD1 4.03Å |
| 209 | S | 97.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 140.6 | 173.6 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | V28 N29 H30 T268 V269 | V28-S209 PolarHBondContact O-N 3.48Å; N29-S209 CarbonylContact C-O 3.35Å; N29-S209 WeakPolarHBondContact CA-O 3.25Å; N29-S209 PolarHBondContact OD1-OG 3.03Å; H30-S209 PolarHBondContact N-O 2.65Å; S209-T268 WeakPolarHBondContact OG-CG2 3.32Å; S209-V269 CarbonylContact C-O 3.44Å; S209-V269 VanDerWaalsContact CA-O 3.22Å; S209-V269 WeakPolarHBondContact CA-O 3.21Å; S209-V269 PolarHBondContact OG-O 2.65Å |
| 210 | Y | 97.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.7 | -179.1 | -166.5 | -80.9 | 0 | 0 | 0 | 111.9 | H30 H140 F212 T268 V269 L298 F302 L317 | H30-Y210 HydrophobicContact CB-CD2 4.11Å; H30-Y210 CarbonylContact O-C 3.35Å; H30-Y210 WeakPolarHBondContact O-CA 3.35Å; H140-Y210 PolarHBondContact ND1-OH 3.5Å; Y210-F212 AromaticContact CD1-CD1 3.95Å; Y210-F212 HydrophobicContact CD1-CD1 3.95Å; Y210-F212 AromaticContact CD1-CD2 3.78Å; Y210-F212 HydrophobicContact CD1-CD2 3.78Å; Y210-F212 AromaticContact CD1-CE1 3.87Å; Y210-F212 HydrophobicContact CD1-CE1 3.87Å; Y210-F212 AromaticContact CD1-CE2 3.68Å; Y210-F212 HydrophobicContact CD1-CE2 3.68Å; Y210-F212 AromaticContact CD1-CG 3.92Å; Y210-F212 HydrophobicContact CD1-CG 3.92Å; Y210-F212 AromaticContact CD1-CZ 3.74Å; Y210-F212 HydrophobicContact CD1-CZ 3.74Å; Y210-F212 AromaticContact CE1-CD1 3.75Å; Y210-F212 HydrophobicContact CE1-CD1 3.75Å; Y210-F212 HydrophobicContact CE1-CD2 4.36Å; Y210-F212 AromaticContact CE1-CE1 3.85Å; Y210-F212 HydrophobicContact CE1-CE1 3.85Å; Y210-F212 HydrophobicContact CE1-CE2 4.44Å; Y210-F212 HydrophobicContact CE1-CG 4.03Å; Y210-F212 HydrophobicContact CE1-CZ 4.21Å; Y210-T268 CarbonylContact O-C 3.39Å; Y210-T268 WeakPolarHBondContact O-CA 3.21Å; Y210-V269 PolarHBondContact N-O 2.73Å; Y210-V269 PolarHBondContact O-N 2.95Å; Y210-L298 HydrophobicContact CD2-CD1 4.46Å; Y210-F302 HydrophobicContact CD1-CD2 4.04Å; Y210-F302 HydrophobicContact CD2-CD2 4.19Å; Y210-F302 AromaticContact CE1-CD2 3.71Å; Y210-F302 HydrophobicContact CE1-CD2 3.71Å; Y210-F302 AromaticContact CE1-CE2 3.88Å; Y210-F302 HydrophobicContact CE1-CE2 3.88Å; Y210-F302 AromaticContact CE2-CD2 3.85Å; Y210-F302 HydrophobicContact CE2-CD2 3.85Å; Y210-F302 HydrophobicContact CE2-CE2 4.31Å; Y210-F302 HydrophobicContact CG-CD2 4.29Å; Y210-F302 AromaticContact CZ-CD2 3.62Å; Y210-F302 AromaticContact CZ-CE2 3.71Å; Y210-L317 HydrophobicContact CE2-CD1 3.77Å; Y210-L317 HydrophobicContact CE2-CD2 4.43Å |
| 211 | S | 96.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 100.4 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | N29 H30 P31 E214 C267 T268 | N29-S211 PolarHBondContact ND2-OG 3.42Å; N29-S211 PolarHBondContact OD1-OG 3.11Å; H30-S211 PolarHBondContact O-N 2.96Å; P31-S211 WeakPolarHBondContact CD-O 3.33Å; S211-E214 WeakPolarHBondContact O-CB 3.2Å; S211-C267 CarbonylContact C-O 3.57Å; S211-C267 WeakPolarHBondContact CA-O 3.42Å; S211-T268 PolarHBondContact OG-OG1 3.39Å |
| 212 | F | 96.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 20.7 Ų | 20.7 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 139.6 | 172.1 | -65.6 | -85.8 | 0 | 0 | 0 | 110.9 | Y210 E214 V266 C267 V269 F302 H305 K306 F309 I311 | Y210-F212 AromaticContact CD1-CD1 3.95Å; Y210-F212 HydrophobicContact CD1-CD1 3.95Å; Y210-F212 AromaticContact CD1-CD2 3.78Å; Y210-F212 HydrophobicContact CD1-CD2 3.78Å; Y210-F212 AromaticContact CD1-CE1 3.87Å; Y210-F212 HydrophobicContact CD1-CE1 3.87Å; Y210-F212 AromaticContact CD1-CE2 3.68Å; Y210-F212 HydrophobicContact CD1-CE2 3.68Å; Y210-F212 AromaticContact CD1-CG 3.92Å; Y210-F212 HydrophobicContact CD1-CG 3.92Å; Y210-F212 AromaticContact CD1-CZ 3.74Å; Y210-F212 HydrophobicContact CD1-CZ 3.74Å; Y210-F212 AromaticContact CE1-CD1 3.75Å; Y210-F212 HydrophobicContact CE1-CD1 3.75Å; Y210-F212 HydrophobicContact CE1-CD2 4.36Å; Y210-F212 AromaticContact CE1-CE1 3.85Å; Y210-F212 HydrophobicContact CE1-CE1 3.85Å; Y210-F212 HydrophobicContact CE1-CE2 4.44Å; Y210-F212 HydrophobicContact CE1-CG 4.03Å; Y210-F212 HydrophobicContact CE1-CZ 4.21Å; F212-E214 VanDerWaalsContact C-N 3.29Å; F212-E214 PolarHBondContact O-N 3.46Å; F212-V266 CarbonylContact O-C 3.46Å; F212-V266 VanDerWaalsContact O-CA 3.29Å; F212-V266 WeakPolarHBondContact O-CA 3.43Å; F212-C267 PolarHBondContact N-O 3.09Å; F212-C267 PolarHBondContact O-N 3.17Å; F212-V269 HydrophobicContact CD2-CG2 3.93Å; F212-V269 HydrophobicContact CE2-CB 4.37Å; F212-V269 HydrophobicContact CE2-CG2 3.73Å; F212-F302 HydrophobicContact CD1-CE2 4.48Å; F212-F302 AromaticContact CE1-CD2 3.68Å; F212-F302 HydrophobicContact CE1-CD2 3.68Å; F212-F302 AromaticContact CE1-CE2 3.75Å; F212-F302 HydrophobicContact CE1-CE2 3.75Å; F212-F302 AromaticContact CZ-CD2 3.99Å; F212-F302 HydrophobicContact CZ-CD2 3.99Å; F212-H305 HydrophobicContact CE2-CB 3.8Å; F212-H305 HydrophobicContact CZ-CB 3.7Å; F212-K306 HydrophobicContact CE1-CB 4.25Å; F212-F309 HydrophobicContact CB-CB 4.09Å; F212-F309 HydrophobicContact CB-CD1 4.01Å; F212-F309 HydrophobicContact CB-CD2 3.83Å; F212-F309 HydrophobicContact CB-CE1 4.45Å; F212-F309 HydrophobicContact CB-CE2 4.26Å; F212-F309 HydrophobicContact CB-CG 3.69Å; F212-F309 HydrophobicContact CD1-CB 4.05Å; F212-F309 AromaticContact CD1-CD2 3.66Å; F212-F309 HydrophobicContact CD1-CD2 3.66Å; F212-F309 HydrophobicContact CD1-CE2 4.44Å; F212-F309 HydrophobicContact CD1-CG 4.04Å; F212-F309 AromaticContact CD2-CD2 3.4Å; F212-F309 HydrophobicContact CD2-CD2 3.4Å; F212-F309 VanDerWaalsContact CD2-CD2 3.4Å; F212-F309 AromaticContact CD2-CE2 3.33Å; F212-F309 HydrophobicContact CD2-CE2 3.33Å; F212-F309 HydrophobicContact CD2-CG 4.18Å; F212-F309 HydrophobicContact CD2-CZ 4.08Å; F212-F309 HydrophobicContact CE1-CD2 4.02Å; F212-F309 AromaticContact CE2-CD2 3.78Å; F212-F309 HydrophobicContact CE2-CD2 3.78Å; F212-F309 AromaticContact CE2-CE2 3.68Å; F212-F309 HydrophobicContact CE2-CE2 3.68Å; F212-F309 HydrophobicContact CG-CB 4.16Å; F212-F309 HydrophobicContact CG-CD1 4.41Å; F212-F309 AromaticContact CG-CD2 3.32Å; F212-F309 HydrophobicContact CG-CD2 3.32Å; F212-F309 AromaticContact CG-CE2 3.76Å; F212-F309 HydrophobicContact CG-CE2 3.76Å; F212-F309 AromaticContact CG-CG 3.71Å; F212-F309 HydrophobicContact CG-CG 3.71Å; F212-F309 HydrophobicContact CG-CZ 4.48Å; F212-F309 HydrophobicContact CZ-CD2 4.06Å; F212-F309 HydrophobicContact CZ-CE2 4.36Å; F212-I311 HydrophobicContact CD1-CD1 3.54Å; F212-I311 HydrophobicContact CE1-CD1 3.82Å |
| 213 | G | 93.8 | Very high | 89 | Confident | 13 Ų | 13 | 19.2 Ų | 19.2 | 13% | 0.134 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -9.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V215 D216 | G213-V215 VanDerWaalsContact C-N 3.33Å; G213-V215 PolarHBondContact O-N 3.37Å; G213-D216 PolarHBondContact O-N 2.97Å; G213-D216 VanDerWaalsContact O-N 3.11Å |
| 214 | E | 92.8 | Very high | 88.6 | Confident | 5 Ų | 5 | 21.1 Ų | 21.1 | 2% | 0.023 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -60.8 | -38.8 | -177.1 | -172.2 | 67.4 | -137.6 | 0 | 0 | 112.8 | P31 S36 V37 G38 S211 F212 D216 L217 | P31-E214 HydrophobicContact CG-CB 4.02Å; P31-E214 HydrophobicContact CG-CG 4.25Å; S36-E214 VanDerWaalsContact C-OE1 3.29Å; S36-E214 WeakPolarHBondContact CA-OE1 3.47Å; S36-E214 PolarHBondContact N-OE1 2.78Å; V37-E214 PolarHBondContact N-OE1 2.75Å; G38-E214 VanDerWaalsContact CA-OE2 3.31Å; G38-E214 WeakPolarHBondContact CA-OE2 3.41Å; G38-E214 PolarHBondContact N-OE2 3.18Å; S211-E214 WeakPolarHBondContact O-CB 3.2Å; F212-E214 VanDerWaalsContact C-N 3.29Å; F212-E214 PolarHBondContact O-N 3.46Å; E214-D216 PolarHBondContact O-N 2.91Å; E214-L217 WeakPolarHBondContact O-CG 3.37Å |
| 215 | V | 91.7 | Very high | 87.7 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -75.2 | -10.5 | 179.7 | -62 | 0 | 0 | 0 | 0 | 113.7 | P31 G213 | P31-V215 HydrophobicContact CB-CG1 4.29Å; P31-V215 HydrophobicContact CG-CG1 3.67Å; G213-V215 VanDerWaalsContact C-N 3.33Å; G213-V215 PolarHBondContact O-N 3.37Å |
| 216 | D | 90.2 | Very high | 86.8 | Confident | 49 Ų | 49 | 31.8 Ų | 31.8 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -96 | -3 | -177.5 | -56.5 | -50.1 | 0 | 0 | 0 | 112.7 | P137 G138 G213 E214 F218 R264 | P137-D216 VanDerWaalsContact CA-OD1 3.31Å; P137-D216 WeakPolarHBondContact CA-OD1 3.24Å; G138-D216 PolarHBondContact N-OD1 3.31Å; G213-D216 PolarHBondContact O-N 2.97Å; G213-D216 VanDerWaalsContact O-N 3.11Å; E214-D216 PolarHBondContact O-N 2.91Å; D216-F218 VanDerWaalsContact C-N 3.32Å; D216-F218 PolarHBondContact O-N 3.45Å; D216-R264 HydrophobicContact CB-CG 4.17Å |
| 217 | L | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -72.4 | -24.9 | -178.8 | -64.7 | -179.2 | 0 | 0 | 0 | 113.3 | F9 V37 E214 P261 F262 R264 V266 | F9-L217 HydrophobicContact CD1-CD2 3.59Å; F9-L217 HydrophobicContact CE1-CD2 3.99Å; F9-L217 HydrophobicContact CG-CD2 4.41Å; V37-L217 HydrophobicContact CB-CD1 3.6Å; V37-L217 HydrophobicContact CG1-CD1 4.34Å; V37-L217 HydrophobicContact CG2-CD1 3.68Å; E214-L217 WeakPolarHBondContact O-CG 3.37Å; L217-P261 HydrophobicContact CB-CB 4.16Å; L217-P261 CarbonylContact O-C 3.51Å; L217-P261 WeakPolarHBondContact O-CA 3.22Å; L217-F262 WeakPolarHBondContact O-CD2 3.48Å; L217-F262 PolarHBondContact O-N 3.46Å; L217-R264 HydrophobicContact CD2-CB 4.17Å; L217-V266 HydrophobicContact CD1-CG2 3.98Å; L217-V266 HydrophobicContact CD2-CG2 3.79Å; L217-V266 HydrophobicContact CG-CG2 4.14Å |
| 218 | F | 85.7 | Confident | 85 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | trans | -141.6 | 154.5 | -177.3 | -68.7 | -77.1 | 0 | 0 | 0 | 110.3 | I34 L35 D216 F247 P261 | I34-F218 HydrophobicContact CB-CB 4.45Å; I34-F218 HydrophobicContact CB-CD2 3.89Å; I34-F218 HydrophobicContact CB-CE2 4.46Å; I34-F218 HydrophobicContact CB-CG 4.38Å; I34-F218 HydrophobicContact CD1-CB 3.37Å; I34-F218 HydrophobicContact CD1-CD2 4.44Å; I34-F218 HydrophobicContact CD1-CG 4.12Å; I34-F218 HydrophobicContact CG1-CB 4.35Å; I34-F218 HydrophobicContact CG2-CD2 4.24Å; L35-F218 HydrophobicContact CB-CE2 4.17Å; L35-F218 HydrophobicContact CD1-CE2 3.78Å; L35-F218 HydrophobicContact CD1-CZ 3.55Å; L35-F218 HydrophobicContact CG-CE2 3.89Å; L35-F218 HydrophobicContact CG-CZ 4.12Å; D216-F218 VanDerWaalsContact C-N 3.32Å; D216-F218 PolarHBondContact O-N 3.45Å; F218-F247 HydrophobicContact CB-CB 4.41Å; F218-F247 HydrophobicContact CB-CD2 4.47Å; F218-F247 AromaticContact CD1-CD2 3.46Å; F218-F247 HydrophobicContact CD1-CD2 3.46Å; F218-F247 VanDerWaalsContact CD1-CD2 3.46Å; F218-F247 AromaticContact CD1-CE2 3.87Å; F218-F247 HydrophobicContact CD1-CE2 3.87Å; F218-F247 HydrophobicContact CD1-CG 4.4Å; F218-F247 AromaticContact CE1-CD2 3.74Å; F218-F247 HydrophobicContact CE1-CD2 3.74Å; F218-F247 AromaticContact CE1-CE2 3.62Å; F218-F247 HydrophobicContact CE1-CE2 3.62Å; F218-F247 HydrophobicContact CG-CD2 4.07Å; F218-F247 HydrophobicContact CZ-CE2 4.17Å; F218-P261 HydrophobicContact CD1-CB 4.34Å; F218-P261 HydrophobicContact CD2-CB 4.33Å; F218-P261 HydrophobicContact CE1-CB 3.78Å; F218-P261 HydrophobicContact CE1-CG 3.97Å; F218-P261 HydrophobicContact CE2-CB 3.76Å; F218-P261 HydrophobicContact CE2-CG 3.96Å; F218-P261 HydrophobicContact CZ-CB 3.48Å; F218-P261 VanDerWaalsContact CZ-CB 3.48Å; F218-P261 HydrophobicContact CZ-CG 3.41Å; F218-P261 VanDerWaalsContact CZ-CG 3.41Å | ||
| 219 | R | 82.9 | Confident | 84.1 | Confident | 125 Ų | 125 | 41.8 Ų | 41.8 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.6 | 169.2 | -73.7 | 178.3 | -177.4 | -163.9 | 1.3 | 108.4 | P137 F247 Y248 F262 | P137-R219 HydrophobicContact CG-CG 3.96Å; R219-F247 CarbonylContact O-C 3.45Å; R219-F247 WeakPolarHBondContact O-CA 3.5Å; R219-Y248 HydrophobicContact CB-CD1 4.07Å; R219-Y248 HydrophobicContact CB-CD2 4.31Å; R219-Y248 HydrophobicContact CB-CE1 3.55Å; R219-Y248 HydrophobicContact CB-CE2 3.86Å; R219-Y248 HydrophobicContact CB-CG 4.42Å; R219-Y248 VanDerWaalsContact CB-CZ 3.44Å; R219-Y248 WeakPolarHBondContact CD-OH 3.45Å; R219-Y248 HydrophobicContact CG-CE2 4.4Å; R219-Y248 PolarHBondContact N-O 3.44Å; R219-Y248 WeakPolarHBondContact O-CD1 3.35Å; R219-Y248 PolarHBondContact O-N 2.65Å; R219-F262 HydrophobicContact CB-CE2 4.24Å; R219-F262 HydrophobicContact CG-CE2 3.75Å; R219-F262 HydrophobicContact CG-CZ 4.43Å |
| 220 | Q | 80.3 | Confident | 83.1 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 137.7 | 172.6 | -165.4 | -177.9 | -3 | 0 | 0 | 109.7 | I34 A132 L133 S135 S222 N223 P245 | I34-Q220 HydrophobicContact CD1-CB 4.46Å; A132-Q220 PolarHBondContact O-OE1 3.39Å; L133-Q220 VanDerWaalsContact C-OE1 3.3Å; L133-Q220 PolarHBondContact O-NE2 2.89Å; L133-Q220 VanDerWaalsContact O-NE2 3.08Å; L133-Q220 PolarHBondContact O-OE1 3.38Å; S135-Q220 WeakPolarHBondContact O-CB 2.9Å; S135-Q220 PolarHBondContact O-OE1 3.07Å; S135-Q220 VanDerWaalsContact O-OE1 3.1Å; Q220-S222 PolarHBondContact O-N 3.01Å; Q220-N223 PolarHBondContact NE2-ND2 3.1Å; Q220-P245 HydrophobicContact CG-CB 4.07Å |
| 221 | V | 77.2 | Confident | 82.1 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 39% | 0.394 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 125.7 | 168.8 | -180 | 0 | 0 | 0 | 0 | 108.1 | N223 L229 L246 | V221-N223 PolarHBondContact O-N 3.38Å; V221-L229 HydrophobicContact CG1-CD2 4.33Å; V221-L246 HydrophobicContact CB-CB 4.24Å; V221-L246 HydrophobicContact CG2-CB 4.14Å; V221-L246 PolarHBondContact N-O 2.84Å |
| 222 | S | 70.6 | Confident | 81.1 | Confident | 97 Ų | 97 | 49.3 Ų | 49.3 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 121.1 | -176.4 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | Q220 | Q220-S222 PolarHBondContact O-N 3.01Š|
| 223 | N | 72.9 | Confident | 80.1 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | trans | -140.5 | 61.1 | -173.4 | 63.5 | -11 | 0 | 0 | 0 | 110.1 | Q220 V221 L229 R230 Q233 | Q220-N223 PolarHBondContact NE2-ND2 3.1Å; V221-N223 PolarHBondContact O-N 3.38Å; N223-L229 HydrophobicContact CB-CB 4.45Å; N223-L229 HydrophobicContact CB-CD2 3.84Å; N223-L229 HydrophobicContact CB-CG 4.08Å; N223-R230 PolarHBondContact ND2-NE 2.98Å; N223-R230 WeakPolarHBondContact O-CB 3.2Å; N223-R230 PolarHBondContact O-NE 2.89Å; N223-R230 PolarHBondContact O-NH2 3.45Å; N223-R230 PolarHBondContact OD1-NH2 3.2Å; N223-Q233 PolarHBondContact ND2-OE1 2.97Å | ||
| 224 | G | 71.5 | Confident | 79 | Confident | 50 Ų | 50 | 52 Ų | 52 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | trans | -49.9 | 150.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G226 S227 | G224-G226 PolarHBondContact O-N 3.13Å; G224-S227 VanDerWaalsContact O-CB 3.3Å; G224-S227 WeakPolarHBondContact O-CB 3.47Å; G224-S227 PolarHBondContact O-N 3Å; G224-S227 PolarHBondContact O-OG 2.79Å | ||
| 225 | K | 72.6 | Confident | 77.9 | Confident | 153 Ų | 153 | 54 Ų | 54 | 67% | 0.665 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 128.4 | 174.8 | -71.7 | -174.5 | 178.5 | -178.1 | 0 | 109.4 | E134 | E134-K225 WeakPolarHBondContact OE1-CE 3.3Š|
| 226 | G | 73.7 | Confident | 76.6 | Confident | 75 Ų | 75 | 57 Ų | 57 | 77% | 0.773 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.3 | -11.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G224 | G224-G226 PolarHBondContact O-N 3.13Š|
| 227 | S | 79.6 | Confident | 75.3 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | trans | -70.2 | 150.6 | 172.7 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | G224 L229 R230 S231 | G224-S227 VanDerWaalsContact O-CB 3.3Å; G224-S227 WeakPolarHBondContact O-CB 3.47Å; G224-S227 PolarHBondContact O-N 3Å; G224-S227 PolarHBondContact O-OG 2.79Å; S227-L229 PolarHBondContact O-N 2.94Å; S227-R230 PolarHBondContact O-N 3.4Å; S227-R230 VanDerWaalsContact OG-CB 3.25Å; S227-R230 WeakPolarHBondContact OG-CB 3.29Å; S227-R230 PolarHBondContact OG-N 3.47Å; S227-R230 VanDerWaalsContact OG-N 3.16Å; S227-S231 PolarHBondContact O-N 3.28Å; S227-S231 PolarHBondContact O-OG 2.88Å | ||
| 228 | T | 77.1 | Confident | 73.7 | Confident | 116 Ų | 116 | 60.2 Ų | 60.2 | 71% | 0.712 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.5 | -42.6 | 173.5 | -46 | 0 | 0 | 0 | 0 | 110.9 | R230 S231 V232 | T228-R230 PolarHBondContact O-N 2.89Å; T228-S231 WeakPolarHBondContact O-CB 3.35Å; T228-S231 PolarHBondContact O-N 3.49Å; T228-V232 WeakPolarHBondContact O-CG2 3.4Å; T228-V232 PolarHBondContact O-N 3.36Å |
| 229 | L | 77.6 | Confident | 72.1 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 178 | 179 | 60.2 | 0 | 0 | 0 | 112.1 | V221 N223 S227 S231 V232 Q233 L246 | V221-L229 HydrophobicContact CG1-CD2 4.33Å; N223-L229 HydrophobicContact CB-CB 4.45Å; N223-L229 HydrophobicContact CB-CD2 3.84Å; N223-L229 HydrophobicContact CB-CG 4.08Å; S227-L229 PolarHBondContact O-N 2.94Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-V232 PolarHBondContact O-N 3.23Å; L229-Q233 HydrophobicContact CD1-CG 4.46Å; L229-Q233 WeakPolarHBondContact O-CG 3.43Å; L229-Q233 PolarHBondContact O-N 3.22Å; L229-Q233 PolarHBondContact O-OE1 3.43Å; L229-L246 HydrophobicContact CD1-CD1 3.66Å; L229-L246 HydrophobicContact CD2-CD1 4.1Å; L229-L246 HydrophobicContact CG-CD1 4.48Å |
| 230 | R | 77.3 | Confident | 70.4 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 6% | 0.064 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176 | -177.2 | 63.2 | 74.1 | 120.1 | 3.3 | 111.4 | L133 E134 N223 S227 T228 V232 Q233 S234 | L133-R230 VanDerWaalsContact CB-NH1 3.29Å; L133-R230 PolarHBondContact O-NH2 2.87Å; E134-R230 IonicContact OE1-CZ 3.44Å; E134-R230 IonicContact OE1-NH1 2.72Å; E134-R230 PolarHBondContact OE1-NH1 3.46Å; E134-R230 IonicContact OE1-NH2 3.35Å; E134-R230 PolarHBondContact OE1-NH2 3.06Å; E134-R230 IonicContact OE2-NH2 3.93Å; N223-R230 PolarHBondContact ND2-NE 2.98Å; N223-R230 WeakPolarHBondContact O-CB 3.2Å; N223-R230 PolarHBondContact O-NE 2.89Å; N223-R230 PolarHBondContact O-NH2 3.45Å; N223-R230 PolarHBondContact OD1-NH2 3.2Å; S227-R230 PolarHBondContact O-N 3.4Å; S227-R230 VanDerWaalsContact OG-CB 3.25Å; S227-R230 WeakPolarHBondContact OG-CB 3.29Å; S227-R230 PolarHBondContact OG-N 3.47Å; S227-R230 VanDerWaalsContact OG-N 3.16Å; T228-R230 PolarHBondContact O-N 2.89Å; R230-V232 VanDerWaalsContact C-N 3.33Å; R230-V232 PolarHBondContact O-N 2.85Å; R230-Q233 PolarHBondContact O-N 3.11Å; R230-S234 WeakPolarHBondContact O-CB 3.42Å; R230-S234 PolarHBondContact O-N 3.33Å; R230-S234 PolarHBondContact O-OG 3.48Å |
| 231 | S | 75.8 | Confident | 69.1 | Low | 71 Ų | 71 | 69.7 Ų | 69.7 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | S227 T228 L229 S234 A235 | S227-S231 PolarHBondContact O-N 3.28Å; S227-S231 PolarHBondContact O-OG 2.88Å; T228-S231 WeakPolarHBondContact O-CB 3.35Å; T228-S231 PolarHBondContact O-N 3.49Å; L229-S231 VanDerWaalsContact C-N 3.34Å; S231-S234 PolarHBondContact O-N 3.36Å; S231-A235 WeakPolarHBondContact O-CB 3.46Å; S231-A235 PolarHBondContact O-N 2.94Å |
| 232 | V | 75.8 | Confident | 68 | Low | 74 Ų | 74 | 70.5 Ų | 70.5 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | T228 L229 R230 S234 A235 I236 | T228-V232 WeakPolarHBondContact O-CG2 3.4Å; T228-V232 PolarHBondContact O-N 3.36Å; L229-V232 PolarHBondContact O-N 3.23Å; R230-V232 VanDerWaalsContact C-N 3.33Å; R230-V232 PolarHBondContact O-N 2.85Å; V232-S234 PolarHBondContact O-N 3.48Å; V232-A235 PolarHBondContact O-N 3.27Å; V232-I236 HydrophobicContact CG1-CD1 3.72Å; V232-I236 HydrophobicContact CG1-CG1 4.38Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.5Å; V232-I236 PolarHBondContact O-N 2.94Å |
| 233 | Q | 75 | Confident | 67.3 | Low | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.047 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 178.4 | -76.7 | 169.3 | -42.5 | 0 | 0 | 112.6 | L133 N223 L229 R230 I236 G237 T243 L246 | L133-Q233 HydrophobicContact CD2-CB 4.2Å; N223-Q233 PolarHBondContact ND2-OE1 2.97Å; L229-Q233 HydrophobicContact CD1-CG 4.46Å; L229-Q233 WeakPolarHBondContact O-CG 3.43Å; L229-Q233 PolarHBondContact O-N 3.22Å; L229-Q233 PolarHBondContact O-OE1 3.43Å; R230-Q233 PolarHBondContact O-N 3.11Å; Q233-I236 PolarHBondContact O-N 2.82Å; Q233-G237 PolarHBondContact O-N 2.99Å; Q233-T243 HydrophobicContact CB-CG2 4.17Å; Q233-T243 VanDerWaalsContact O-CG2 3.23Å; Q233-T243 WeakPolarHBondContact O-CG2 3.44Å; Q233-L246 VanDerWaalsContact NE2-N 3.16Å |
| 234 | S | 71.2 | Confident | 66.6 | Low | 61 Ų | 61 | 70.5 Ų | 70.5 | 43% | 0.427 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 175 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | R230 S231 V232 S238 | R230-S234 WeakPolarHBondContact O-CB 3.42Å; R230-S234 PolarHBondContact O-N 3.33Å; R230-S234 PolarHBondContact O-OG 3.48Å; S231-S234 PolarHBondContact O-N 3.36Å; V232-S234 PolarHBondContact O-N 3.48Å; S234-S238 WeakPolarHBondContact O-CB 3.47Å; S234-S238 PolarHBondContact O-N 2.81Å |
| 235 | A | 69.1 | Low | 66.3 | Low | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S231 V232 G237 S238 I239 | S231-A235 WeakPolarHBondContact O-CB 3.46Å; S231-A235 PolarHBondContact O-N 2.94Å; V232-A235 PolarHBondContact O-N 3.27Å; A235-G237 PolarHBondContact O-N 3.23Å; A235-S238 PolarHBondContact O-N 3.48Å; A235-S238 VanDerWaalsContact O-N 3.16Å; A235-S238 PolarHBondContact O-OG 2.84Å; A235-I239 WeakPolarHBondContact O-CG1 3.31Å; A235-I239 PolarHBondContact O-N 3.2Å |
| 236 | I | 65.3 | Low | 66.2 | Low | 68 Ų | 68 | 65.6 Ų | 65.6 | 35% | 0.349 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.8 | -66.6 | 169.7 | 0 | 0 | 0 | 110.8 | V232 Q233 S238 I239 L240 | V232-I236 HydrophobicContact CG1-CD1 3.72Å; V232-I236 HydrophobicContact CG1-CG1 4.38Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.5Å; V232-I236 PolarHBondContact O-N 2.94Å; Q233-I236 PolarHBondContact O-N 2.82Å; I236-S238 PolarHBondContact O-N 2.81Å; I236-I239 PolarHBondContact O-N 2.84Å; I236-L240 HydrophobicContact CG2-CD1 3.94Å; I236-L240 PolarHBondContact O-N 2.68Å |
| 237 | G | 62.3 | Low | 66.3 | Low | 21 Ų | 21 | 64 Ų | 64 | 22% | 0.216 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.4 | -17.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q233 A235 L240 | Q233-G237 PolarHBondContact O-N 2.99Å; A235-G237 PolarHBondContact O-N 3.23Å; G237-L240 CarbonylContact C-O 3.5Å |
| 238 | S | 54.1 | Low | 66.3 | Low | 97 Ų | 97 | 66.4 Ų | 66.4 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -80.7 | -22 | 171.2 | 75.8 | 0 | 0 | 0 | 0 | 113 | S234 A235 I236 | S234-S238 WeakPolarHBondContact O-CB 3.47Å; S234-S238 PolarHBondContact O-N 2.81Å; A235-S238 PolarHBondContact O-N 3.48Å; A235-S238 VanDerWaalsContact O-N 3.16Å; A235-S238 PolarHBondContact O-OG 2.84Å; I236-S238 PolarHBondContact O-N 2.81Å |
| 239 | I | 51.4 | Low | 66.3 | Low | 138 Ų | 138 | 61 Ų | 61 | 71% | 0.708 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -96.8 | -41.3 | -179.4 | -63.4 | 167.8 | 0 | 0 | 0 | 110.9 | A235 I236 | A235-I239 WeakPolarHBondContact O-CG1 3.31Å; A235-I239 PolarHBondContact O-N 3.2Å; I236-I239 PolarHBondContact O-N 2.84Å |
| 240 | L | 48.8 | Very low | 66.3 | Low | 78 Ų | 78 | 63 Ų | 63 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -105.4 | 129.5 | 177.1 | -62.8 | 174.7 | 0 | 0 | 0 | 108.6 | I236 G237 F242 | I236-L240 HydrophobicContact CG2-CD1 3.94Å; I236-L240 PolarHBondContact O-N 2.68Å; G237-L240 CarbonylContact C-O 3.5Å; L240-F242 HydrophobicContact CB-CD1 4.18Å; L240-F242 HydrophobicContact CB-CE1 4Å; L240-F242 HydrophobicContact CB-CZ 4.38Å; L240-F242 HydrophobicContact CD1-CE1 4.33Å; L240-F242 HydrophobicContact CD1-CZ 3.97Å; L240-F242 HydrophobicContact CD2-CE1 4.4Å; L240-F242 HydrophobicContact CG-CE1 4.48Å; L240-F242 CarbonylContact O-C 3.41Å; L240-F242 PolarHBondContact O-N 2.82Å |
| 241 | T | 51.6 | Low | 65.5 | Low | 126 Ų | 126 | 62.7 Ų | 62.7 | 77% | 0.773 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -57.5 | -5.9 | 179.2 | -44.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 242 | F | 55.5 | Low | 65 | Low | 82 Ų | 82 | 61 Ų | 61 | 36% | 0.36 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -123.5 | 121.4 | 174.7 | 65 | -82.5 | 0 | 0 | 0 | 109.3 | L240 T244 | L240-F242 HydrophobicContact CB-CD1 4.18Å; L240-F242 HydrophobicContact CB-CE1 4Å; L240-F242 HydrophobicContact CB-CZ 4.38Å; L240-F242 HydrophobicContact CD1-CE1 4.33Å; L240-F242 HydrophobicContact CD1-CZ 3.97Å; L240-F242 HydrophobicContact CD2-CE1 4.4Å; L240-F242 HydrophobicContact CG-CE1 4.48Å; L240-F242 CarbonylContact O-C 3.41Å; L240-F242 PolarHBondContact O-N 2.82Å; F242-T244 HydrophobicContact CD2-CG2 3.81Å; F242-T244 HydrophobicContact CE2-CG2 3.86Å |
| 243 | T | 55.8 | Low | 64.7 | Low | 22 Ų | 22 | 67.2 Ų | 67.2 | 14% | 0.135 | 37% | 0.368 | C | S | . | . | trans | -82.1 | 127.1 | 163.5 | -35 | 0 | 0 | 0 | 0 | 107.6 | A129 L133 Q233 P245 | A129-T243 WeakPolarHBondContact CB-OG1 3.42Å; L133-T243 HydrophobicContact CD1-CG2 4.12Å; L133-T243 HydrophobicContact CD2-CG2 3.84Å; L133-T243 HydrophobicContact CG-CG2 4.23Å; Q233-T243 HydrophobicContact CB-CG2 4.17Å; Q233-T243 VanDerWaalsContact O-CG2 3.23Å; Q233-T243 WeakPolarHBondContact O-CG2 3.44Å; T243-P245 WeakPolarHBondContact O-CD 3.45Å | ||
| 244 | T | 57.6 | Low | 63.9 | Low | 77 Ų | 77 | 70.6 Ų | 70.6 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | trans | -90.2 | 96.2 | 168.4 | 43.4 | 0 | 0 | 0 | 0 | 109 | F242 L246 | F242-T244 HydrophobicContact CD2-CG2 3.81Å; F242-T244 HydrophobicContact CE2-CG2 3.86Å; T244-L246 PolarHBondContact O-N 3.2Å | ||
| 245 | P | 64.9 | Low | 63.5 | Low | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | trans | -52.5 | 140.2 | 163.4 | 15.1 | -22.8 | 0 | 0 | 0 | 108.7 | I34 A132 L133 Q220 T243 F247 | I34-P245 HydrophobicContact CG1-CG 4.34Å; I34-P245 HydrophobicContact CG2-CG 4.18Å; A132-P245 HydrophobicContact CB-CG 4.24Å; L133-P245 HydrophobicContact CD2-CB 4.26Å; Q220-P245 HydrophobicContact CG-CB 4.07Å; T243-P245 WeakPolarHBondContact O-CD 3.45Å; P245-F247 VanDerWaalsContact C-N 3.3Å; P245-F247 HydrophobicContact CB-CD1 4.3Å; P245-F247 HydrophobicContact CG-CD1 3.97Å; P245-F247 WeakPolarHBondContact O-CD1 3.44Å; P245-F247 PolarHBondContact O-N 3.35Å | ||
| 246 | L | 71.8 | Confident | 63.1 | Low | 93 Ų | 93 | 83.9 Ų | 83.9 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | trans | -74.9 | 94.2 | 169.1 | -74.3 | 176.9 | 0 | 0 | 0 | 106.6 | V221 L229 Q233 T244 | V221-L246 HydrophobicContact CB-CB 4.24Å; V221-L246 HydrophobicContact CG2-CB 4.14Å; V221-L246 PolarHBondContact N-O 2.84Å; L229-L246 HydrophobicContact CD1-CD1 3.66Å; L229-L246 HydrophobicContact CD2-CD1 4.1Å; L229-L246 HydrophobicContact CG-CD1 4.48Å; Q233-L246 VanDerWaalsContact NE2-N 3.16Å; T244-L246 PolarHBondContact O-N 3.2Å | ||
| 247 | F | 75.9 | Confident | 63.1 | Low | 42 Ų | 42 | 87.8 Ų | 87.8 | 18% | 0.184 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 156 | 178.9 | 66.6 | -96.1 | 0 | 0 | 0 | 111.2 | I34 F218 R219 P245 F259 | I34-F247 HydrophobicContact CD1-CB 3.46Å; I34-F247 VanDerWaalsContact CD1-CB 3.46Å; I34-F247 HydrophobicContact CD1-CD1 4.27Å; I34-F247 HydrophobicContact CD1-CG 3.93Å; I34-F247 HydrophobicContact CG2-CD1 3.38Å; I34-F247 HydrophobicContact CG2-CD2 4.23Å; I34-F247 HydrophobicContact CG2-CE1 3.48Å; I34-F247 VanDerWaalsContact CG2-CE1 3.48Å; I34-F247 HydrophobicContact CG2-CE2 4.3Å; I34-F247 HydrophobicContact CG2-CG 3.79Å; I34-F247 HydrophobicContact CG2-CZ 3.95Å; F218-F247 HydrophobicContact CB-CB 4.41Å; F218-F247 HydrophobicContact CB-CD2 4.47Å; F218-F247 AromaticContact CD1-CD2 3.46Å; F218-F247 HydrophobicContact CD1-CD2 3.46Å; F218-F247 VanDerWaalsContact CD1-CD2 3.46Å; F218-F247 AromaticContact CD1-CE2 3.87Å; F218-F247 HydrophobicContact CD1-CE2 3.87Å; F218-F247 HydrophobicContact CD1-CG 4.4Å; F218-F247 AromaticContact CE1-CD2 3.74Å; F218-F247 HydrophobicContact CE1-CD2 3.74Å; F218-F247 AromaticContact CE1-CE2 3.62Å; F218-F247 HydrophobicContact CE1-CE2 3.62Å; F218-F247 HydrophobicContact CG-CD2 4.07Å; F218-F247 HydrophobicContact CZ-CE2 4.17Å; R219-F247 CarbonylContact O-C 3.45Å; R219-F247 WeakPolarHBondContact O-CA 3.5Å; P245-F247 VanDerWaalsContact C-N 3.3Å; P245-F247 HydrophobicContact CB-CD1 4.3Å; P245-F247 HydrophobicContact CG-CD1 3.97Å; P245-F247 WeakPolarHBondContact O-CD1 3.44Å; P245-F247 PolarHBondContact O-N 3.35Å; F247-F259 HydrophobicContact CE2-CD1 4.27Å |
| 248 | Y | 77.6 | Confident | 63.7 | Low | 89 Ų | 89 | 87.7 Ų | 87.7 | 35% | 0.349 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 148.1 | 170.5 | 64.6 | -80.6 | 0 | 0 | 0 | 109.3 | R219 G258 F262 | R219-Y248 HydrophobicContact CB-CD1 4.07Å; R219-Y248 HydrophobicContact CB-CD2 4.31Å; R219-Y248 HydrophobicContact CB-CE1 3.55Å; R219-Y248 HydrophobicContact CB-CE2 3.86Å; R219-Y248 HydrophobicContact CB-CG 4.42Å; R219-Y248 VanDerWaalsContact CB-CZ 3.44Å; R219-Y248 WeakPolarHBondContact CD-OH 3.45Å; R219-Y248 HydrophobicContact CG-CE2 4.4Å; R219-Y248 PolarHBondContact N-O 3.44Å; R219-Y248 WeakPolarHBondContact O-CD1 3.35Å; R219-Y248 PolarHBondContact O-N 2.65Å; Y248-G258 CarbonylContact C-O 3.59Å; Y248-G258 WeakPolarHBondContact CA-O 3.42Å; Y248-F262 HydrophobicContact CD2-CZ 4.47Å; Y248-F262 HydrophobicContact CE2-CZ 4.49Å |
| 249 | G | 79 | Confident | 64.5 | Low | 1 Ų | 1 | 91 Ų | 91 | 1% | 0.01 | 46% | 0.457 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | -144 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G258 L260 | G249-G258 PolarHBondContact N-O 2.99Å; G249-G258 PolarHBondContact O-N 3.3Å; G249-L260 CarbonylContact C-O 3.55Å; G249-L260 WeakPolarHBondContact CA-O 3.33Å |
| 250 | R | 77.4 | Confident | 65.5 | Low | 100 Ų | 100 | 87.9 Ų | 87.9 | 38% | 0.377 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -77.1 | 153 | 174.6 | 75.1 | 171.5 | 178.7 | 138.4 | -9.3 | 111.4 | Y8 G258 L260 F262 | Y8-R250 WeakPolarHBondContact OH-CD 3.4Å; Y8-R250 PolarHBondContact OH-NE 3.4Å; Y8-R250 PolarHBondContact OH-NH2 3.48Å; R250-G258 CarbonylContact O-C 3.51Å; R250-G258 WeakPolarHBondContact O-CA 3.34Å; R250-G258 PolarHBondContact O-N 2.78Å; R250-L260 HydrophobicContact CG-CB 3.67Å; R250-L260 HydrophobicContact CG-CD1 4.5Å; R250-L260 PolarHBondContact N-O 3.28Å; R250-L260 PolarHBondContact O-N 3.15Å; R250-F262 HydrophobicContact CB-CD1 4.48Å |
| 251 | G | 60.3 | Low | 67 | Low | 11 Ų | 11 | 85 Ų | 85 | 11% | 0.113 | 43% | 0.427 | C | S | . | . | trans | -79.5 | 164.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112 | F255 F257 | G251-F255 WeakPolarHBondContact CA-O 3.23Å; G251-F257 WeakPolarHBondContact CA-O 3.43Å | ||
| 252 | A | 64.4 | Low | 68.5 | Low | 34 Ų | 34 | 81.4 Ų | 81.4 | 28% | 0.281 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -104.1 | 161.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G254 F255 L260 | A252-G254 VanDerWaalsContact C-N 3.34Å; A252-G254 PolarHBondContact O-N 3.08Å; A252-F255 WeakPolarHBondContact O-CD2 3.33Å; A252-F255 PolarHBondContact O-N 3.06Å; A252-L260 HydrophobicContact CB-CD1 3.86Å |
| 253 | F | 69.8 | Low | 70 | Confident | 205 Ų | 205 | 83 Ų | 83 | 90% | 0.899 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 40.4 | 170 | -48.3 | -73.5 | 0 | 0 | 0 | 115.3 | F255 | F253-F255 PolarHBondContact O-N 3.22Š|
| 254 | G | 59.2 | Low | 71.6 | Confident | 82 Ų | 82 | 88.4 Ų | 88.4 | 85% | 0.845 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -6.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A252 | A252-G254 VanDerWaalsContact C-N 3.34Å; A252-G254 PolarHBondContact O-N 3.08Å |
| 255 | F | 61.5 | Low | 73.3 | Confident | 150 Ų | 150 | 88.7 Ų | 88.7 | 66% | 0.658 | 43% | 0.43 | S | S | * | . | trans | -71.1 | 135.9 | 170.4 | -68.9 | -77.8 | 0 | 0 | 0 | 111 | G251 A252 F253 | G251-F255 WeakPolarHBondContact CA-O 3.23Å; A252-F255 WeakPolarHBondContact O-CD2 3.33Å; A252-F255 PolarHBondContact O-N 3.06Å; F253-F255 PolarHBondContact O-N 3.22Å | ||
| 256 | R | 61.8 | Low | 74.7 | Confident | 238 Ų | 238 | 88.3 Ų | 88.3 | 90% | 0.898 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -72 | -28.5 | -179.7 | -82.5 | -177.8 | 162.9 | 174.6 | -4 | 113.4 | ||
| 257 | F | 63.7 | Low | 75.8 | Confident | 150 Ų | 150 | 84.2 Ų | 84.2 | 66% | 0.658 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -133.5 | 150.8 | -176.8 | 49.8 | -92.3 | 0 | 0 | 0 | 110.3 | G251 | G251-F257 WeakPolarHBondContact CA-O 3.43Š|
| 258 | G | 74.7 | Confident | 76.8 | Confident | 18 Ų | 18 | 82.2 Ų | 82.2 | 19% | 0.186 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -175.3 | -160.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y248 G249 R250 | Y248-G258 CarbonylContact C-O 3.59Å; Y248-G258 WeakPolarHBondContact CA-O 3.42Å; G249-G258 PolarHBondContact N-O 2.99Å; G249-G258 PolarHBondContact O-N 3.3Å; R250-G258 CarbonylContact O-C 3.51Å; R250-G258 WeakPolarHBondContact O-CA 3.34Å; R250-G258 PolarHBondContact O-N 2.78Å |
| 259 | F | 71.6 | Confident | 77.8 | Confident | 168 Ų | 168 | 78 Ų | 78 | 74% | 0.737 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -103 | 2.1 | -178 | -60 | -78 | 0 | 0 | 0 | 113.5 | F247 | F247-F259 HydrophobicContact CE2-CD1 4.27Š|
| 260 | L | 73.3 | Confident | 78.7 | Confident | 71 Ų | 71 | 78 Ų | 78 | 37% | 0.372 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -78.9 | 132.1 | 176.5 | -71.3 | 177.3 | 0 | 0 | 0 | 109.8 | G249 R250 A252 | G249-L260 CarbonylContact C-O 3.55Å; G249-L260 WeakPolarHBondContact CA-O 3.33Å; R250-L260 HydrophobicContact CG-CB 3.67Å; R250-L260 HydrophobicContact CG-CD1 4.5Å; R250-L260 PolarHBondContact N-O 3.28Å; R250-L260 PolarHBondContact O-N 3.15Å; A252-L260 HydrophobicContact CB-CD1 3.86Å |
| 261 | P | 79.2 | Confident | 79.6 | Confident | 18 Ų | 18 | 73.3 Ų | 73.3 | 12% | 0.117 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 150.5 | -179 | -0.6 | 10.1 | 0 | 0 | 0 | 111.7 | F9 L217 F218 | F9-P261 HydrophobicContact CE1-CB 3.51Å; F9-P261 HydrophobicContact CE1-CG 3.93Å; F9-P261 HydrophobicContact CE2-CB 4.39Å; F9-P261 HydrophobicContact CE2-CG 3.9Å; F9-P261 HydrophobicContact CZ-CB 3.37Å; F9-P261 HydrophobicContact CZ-CG 3.22Å; L217-P261 HydrophobicContact CB-CB 4.16Å; L217-P261 CarbonylContact O-C 3.51Å; L217-P261 WeakPolarHBondContact O-CA 3.22Å; F218-P261 HydrophobicContact CD1-CB 4.34Å; F218-P261 HydrophobicContact CD2-CB 4.33Å; F218-P261 HydrophobicContact CE1-CB 3.78Å; F218-P261 HydrophobicContact CE1-CG 3.97Å; F218-P261 HydrophobicContact CE2-CB 3.76Å; F218-P261 HydrophobicContact CE2-CG 3.96Å; F218-P261 HydrophobicContact CZ-CB 3.48Å; F218-P261 VanDerWaalsContact CZ-CB 3.48Å; F218-P261 HydrophobicContact CZ-CG 3.41Å; F218-P261 VanDerWaalsContact CZ-CG 3.41Å |
| 262 | F | 83.9 | Confident | 81.3 | Confident | 51 Ų | 51 | 75.7 Ų | 75.7 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 137.9 | 174.2 | -69.7 | -69.8 | 0 | 0 | 0 | 110.5 | F9 L217 R219 Y248 R250 R264 | F9-F262 VanDerWaalsContact CE1-O 3.25Å; F9-F262 WeakPolarHBondContact CE1-O 3.44Å; L217-F262 WeakPolarHBondContact O-CD2 3.48Å; L217-F262 PolarHBondContact O-N 3.46Å; R219-F262 HydrophobicContact CB-CE2 4.24Å; R219-F262 HydrophobicContact CG-CE2 3.75Å; R219-F262 HydrophobicContact CG-CZ 4.43Å; Y248-F262 HydrophobicContact CD2-CZ 4.47Å; Y248-F262 HydrophobicContact CE2-CZ 4.49Å; R250-F262 HydrophobicContact CB-CD1 4.48Å; F262-R264 HydrophobicContact CB-CG 4.35Å; F262-R264 PolarHBondContact O-N 3.03Å |
| 263 | Q | 86.5 | Confident | 82.7 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | trans | -69.6 | 92.8 | 178.5 | -152.4 | 179.6 | -3.9 | 0 | 0 | 110.9 | Y8 | Y8-Q263 HydrophobicContact CD1-CG 4.35Å; Y8-Q263 HydrophobicContact CD2-CG 4.32Å; Y8-Q263 HydrophobicContact CE1-CB 4.17Å; Y8-Q263 HydrophobicContact CE1-CG 4.03Å; Y8-Q263 HydrophobicContact CE2-CB 4.38Å; Y8-Q263 HydrophobicContact CE2-CG 3.94Å; Y8-Q263 HydrophobicContact CG-CG 4.48Å; Y8-Q263 WeakPolarHBondContact O-CG 3.49Å; Y8-Q263 PolarHBondContact O-NE2 2.88Å; Y8-Q263 VanDerWaalsContact O-NE2 3.13Å; Y8-Q263 WeakPolarHBondContact OH-CB 3.49Å | ||
| 264 | R | 88.8 | Confident | 83.9 | Confident | 135 Ų | 135 | 66.8 Ų | 66.8 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | trans | -129.2 | 144.2 | 176.4 | -61.8 | -65.8 | -175.4 | 169.2 | -1.3 | 109.6 | F9 D216 L217 F262 | F9-R264 CarbonylContact C-O 3.56Å; D216-R264 HydrophobicContact CB-CG 4.17Å; L217-R264 HydrophobicContact CD2-CB 4.17Å; F262-R264 HydrophobicContact CB-CG 4.35Å; F262-R264 PolarHBondContact O-N 3.03Å | ||
| 265 | P | 93.1 | Very high | 85.5 | Confident | 83 Ų | 83 | 69.4 Ų | 69.4 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | trans | -65.2 | 137.6 | 173.5 | 27.7 | -33.1 | 0 | 0 | 0 | 110 | P10 | P10-P265 HydrophobicContact CB-CB 4.33Å; P10-P265 HydrophobicContact CG-CB 4.08Å | ||
| 266 | V | 94.1 | Very high | 87 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.8 | 173.3 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | F9 I11 S12 F212 L217 | F9-V266 PolarHBondContact O-N 2.89Å; I11-V266 CarbonylContact C-O 3.59Å; I11-V266 VanDerWaalsContact CA-O 3.28Å; I11-V266 WeakPolarHBondContact CA-O 3.31Å; I11-V266 HydrophobicContact CG1-CB 4.49Å; S12-V266 PolarHBondContact N-O 3.18Å; F212-V266 CarbonylContact O-C 3.46Å; F212-V266 VanDerWaalsContact O-CA 3.29Å; F212-V266 WeakPolarHBondContact O-CA 3.43Å; L217-V266 HydrophobicContact CD1-CG2 3.98Å; L217-V266 HydrophobicContact CD2-CG2 3.79Å; L217-V266 HydrophobicContact CG-CG2 4.14Å |
| 267 | C | 96.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.3 | 177.8 | -168.5 | 0 | 0 | 0 | 0 | 110.4 | S12 S211 F212 F309 | S12-C267 WeakPolarHBondContact O-CA 3.48Å; S12-C267 WeakPolarHBondContact OG-CB 3.4Å; S12-C267 PolarHBondContact OG-SG 3.32Å; S211-C267 CarbonylContact C-O 3.57Å; S211-C267 WeakPolarHBondContact CA-O 3.42Å; F212-C267 PolarHBondContact N-O 3.09Å; F212-C267 PolarHBondContact O-N 3.17Å; C267-F309 HydrophobicContact CB-CD1 4.13Å; C267-F309 HydrophobicContact CB-CE1 3.21Å; C267-F309 HydrophobicContact CB-CZ 3.54Å; C267-F309 WeakPolarHBondContact SG-CZ 2.98Å |
| 268 | T | 97.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.7 | 176.1 | -59 | 0 | 0 | 0 | 0 | 110.4 | S12 I13 R14 N29 N42 F43 S209 Y210 S211 | S12-T268 PolarHBondContact O-N 2.59Å; I13-T268 CarbonylContact C-O 3.49Å; I13-T268 VanDerWaalsContact CA-O 3.24Å; I13-T268 WeakPolarHBondContact CA-O 3.24Å; R14-T268 PolarHBondContact N-O 2.93Å; N29-T268 VanDerWaalsContact OD1-CG2 3.32Å; N29-T268 WeakPolarHBondContact OD1-CG2 3.37Å; N42-T268 WeakPolarHBondContact ND2-CB 3.44Å; N42-T268 PolarHBondContact ND2-OG1 3.45Å; F43-T268 HydrophobicContact CE2-CG2 3.89Å; F43-T268 HydrophobicContact CZ-CG2 3.71Å; S209-T268 WeakPolarHBondContact OG-CG2 3.32Å; Y210-T268 CarbonylContact O-C 3.39Å; Y210-T268 WeakPolarHBondContact O-CA 3.21Å; S211-T268 PolarHBondContact OG-OG1 3.39Å |
| 269 | V | 97.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.2 | 173.3 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | R14 T16 S209 Y210 F212 L301 F309 | R14-V269 HydrophobicContact CB-CG2 4.43Å; R14-V269 WeakPolarHBondContact O-CA 3.37Å; T16-V269 HydrophobicContact CG2-CG1 3.53Å; S209-V269 CarbonylContact C-O 3.44Å; S209-V269 VanDerWaalsContact CA-O 3.22Å; S209-V269 WeakPolarHBondContact CA-O 3.21Å; S209-V269 PolarHBondContact OG-O 2.65Å; Y210-V269 PolarHBondContact N-O 2.73Å; Y210-V269 PolarHBondContact O-N 2.95Å; F212-V269 HydrophobicContact CD2-CG2 3.93Å; F212-V269 HydrophobicContact CE2-CB 4.37Å; F212-V269 HydrophobicContact CE2-CG2 3.73Å; V269-L301 HydrophobicContact CG1-CD1 3.78Å; V269-L301 HydrophobicContact CG1-CD2 4.42Å; V269-L301 HydrophobicContact CG1-CG 4.18Å; V269-F309 HydrophobicContact CG2-CE2 4.05Å; V269-F309 HydrophobicContact CG2-CZ 4.28Å |
| 270 | V | 97.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.9 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | I13 R14 T16 F43 F54 V207 | I13-V270 HydrophobicContact CD1-CG2 3.83Å; I13-V270 HydrophobicContact CG1-CG2 4.1Å; R14-V270 PolarHBondContact O-N 3.01Å; T16-V270 PolarHBondContact N-O 2.86Å; T16-V270 PolarHBondContact OG1-O 3.18Å; T16-V270 VanDerWaalsContact OG1-O 3.08Å; F43-V270 HydrophobicContact CE1-CG2 4.05Å; F43-V270 HydrophobicContact CZ-CG2 4.04Å; F54-V270 HydrophobicContact CE2-CG2 4.45Å; F54-V270 HydrophobicContact CZ-CB 4.1Å; F54-V270 HydrophobicContact CZ-CG1 4.02Å; F54-V270 HydrophobicContact CZ-CG2 4.47Å; V207-V270 HydrophobicContact CG1-CG1 3.55Å |
| 271 | G | 96.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -78.2 | -174.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | T16 V207 P208 | T16-G271 VanDerWaalsContact OG1-CA 3.26Å; T16-G271 WeakPolarHBondContact OG1-CA 3.43Å; V207-G271 WeakPolarHBondContact CG1-O 3.46Å; P208-G271 WeakPolarHBondContact O-CA 3.28Å; P208-G271 PolarHBondContact O-N 3.04Å | ||
| 272 | C | 95.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 42% | 0.419 | 28% | 0.278 | S | S | . | . | trans | -73.4 | 145.6 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 112 | A17 P208 | A17-C272 HydrophobicContact CB-CB 4.28Å; P208-C272 WeakPolarHBondContact CD-O 3.28Å | ||
| 273 | P | 95.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 31% | 0.312 | 29% | 0.286 | S | S | . | . | trans | -66.5 | 135.1 | 174.1 | 27.8 | -33.1 | 0 | 0 | 0 | 111.3 | L19 Y25 A205 L206 V207 | L19-P273 HydrophobicContact CD2-CB 4.2Å; L19-P273 HydrophobicContact CD2-CG 4.02Å; Y25-P273 HydrophobicContact CD1-CB 4.42Å; Y25-P273 HydrophobicContact CE1-CB 4.04Å; A205-P273 HydrophobicContact CB-CB 3.9Å; L206-P273 CarbonylContact O-C 3.58Å; V207-P273 HydrophobicContact CG2-CB 4.29Å | ||
| 274 | I | 95.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -103.5 | 107.5 | 174.6 | -54.2 | 173.9 | 0 | 0 | 0 | 106.8 | L206 P208 R293 Y294 E297 | L206-I274 HydrophobicContact CB-CB 4.23Å; L206-I274 PolarHBondContact N-O 3.23Å; L206-I274 PolarHBondContact O-N 3.4Å; P208-I274 HydrophobicContact CG-CD1 4.45Å; I274-R293 HydrophobicContact CG2-CG 4.32Å; I274-Y294 HydrophobicContact CD1-CD2 4.07Å; I274-E297 HydrophobicContact CD1-CB 3.85Å; I274-E297 HydrophobicContact CD1-CG 3.8Å; I274-E297 HydrophobicContact CG1-CG 4.21Å |
| 275 | E | 92.5 | Very high | 94.6 | Very high | 136 Ų | 136 | 59.7 Ų | 59.7 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | trans | -65.9 | 136.5 | 173.5 | -65.6 | -174.7 | -179.8 | 0 | 0 | 110.8 | ||||
| 276 | V | 93.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | trans | -124.7 | 130.6 | -179.4 | -171 | 0 | 0 | 0 | 0 | 108.6 | A154 I155 G158 C159 L206 V290 | A154-V276 HydrophobicContact CB-CG2 4.32Å; I155-V276 HydrophobicContact CB-CG1 4.04Å; I155-V276 HydrophobicContact CG1-CG1 3.38Å; G158-V276 CarbonylContact C-O 3.58Å; G158-V276 VanDerWaalsContact CA-O 3.25Å; G158-V276 WeakPolarHBondContact CA-O 3.36Å; C159-V276 PolarHBondContact N-O 2.83Å; L206-V276 HydrophobicContact CD1-CG2 3.94Å; L206-V276 HydrophobicContact CG-CG2 4.08Å; V276-V290 HydrophobicContact CG1-CG1 4.11Å; V276-V290 HydrophobicContact CG1-CG2 4.18Å; V276-V290 HydrophobicContact CG2-CG1 3.96Å | ||
| 277 | E | 91.2 | Very high | 95 | Very high | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -72.3 | 135.2 | 175.4 | -177.8 | 165.2 | -169.7 | 0 | 0 | 110.5 | R161 N279 | R161-E277 HydrophobicContact CB-CG 4.36Å; R161-E277 WeakPolarHBondContact CB-OE1 3.49Å; R161-E277 WeakPolarHBondContact CD-OE1 3.12Å; R161-E277 IonicContact NH1-OE2 3.25Å; E277-N279 PolarHBondContact O-N 2.82Å |
| 278 | R | 91.2 | Very high | 95 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | trans | -70.5 | 123.6 | -179.3 | -174.7 | 171.3 | 165.5 | 169.7 | -5.5 | 111.7 | I155 C159 K160 E280 | I155-R278 VanDerWaalsContact O-CA 3.24Å; I155-R278 WeakPolarHBondContact O-CA 3.32Å; C159-R278 PolarHBondContact O-N 3Å; K160-R278 HydrophobicContact CB-CB 4.48Å; R278-E280 IonicContact CZ-OE1 3.78Å; R278-E280 IonicContact NE-OE1 2.85Å; R278-E280 IonicContact NH2-OE1 2.72Å; R278-E280 PolarHBondContact NH2-OE1 3.32Å | ||
| 279 | N | 92.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 67.7 Ų | 67.7 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | trans | -137.7 | 124.1 | 165.3 | -174.9 | -8.1 | 0 | 0 | 0 | 109.6 | I155 K156 E277 N281 E286 | I155-N279 HydrophobicContact CG2-CB 3.76Å; I155-N279 PolarHBondContact O-N 2.81Å; K156-N279 WeakPolarHBondContact CA-O 3.2Å; E277-N279 PolarHBondContact O-N 2.82Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact ND2-O 2.9Å; N279-N281 PolarHBondContact O-N 3.19Å; N279-N281 PolarHBondContact OD1-N 2.74Å; N279-N281 PolarHBondContact OD1-O 3.08Å; N279-E286 PolarHBondContact ND2-OE1 3.06Å; N279-E286 PolarHBondContact ND2-OE2 3.08Å | ||
| 280 | E | 90.1 | Very high | 95.1 | Very high | 114 Ų | 114 | 68.8 Ų | 68.8 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -69.6 | -29.8 | -179.2 | -61.8 | -164.7 | 161 | 0 | 0 | 112.8 | R278 P282 | R278-E280 IonicContact CZ-OE1 3.78Å; R278-E280 IonicContact NE-OE1 2.85Å; R278-E280 IonicContact NH2-OE1 2.72Å; R278-E280 PolarHBondContact NH2-OE1 3.32Å; E280-P282 WeakPolarHBondContact O-CD 3.45Å |
| 281 | N | 93.5 | Very high | 95.1 | Very high | 134 Ų | 134 | 68.9 Ų | 68.9 | 72% | 0.717 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -126.7 | 72.7 | 179.8 | -63.5 | -53.7 | 0 | 0 | 0 | 109.3 | N279 T283 | N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact ND2-O 2.9Å; N279-N281 PolarHBondContact O-N 3.19Å; N279-N281 PolarHBondContact OD1-N 2.74Å; N279-N281 PolarHBondContact OD1-O 3.08Å; N281-T283 PolarHBondContact O-N 2.8Å |
| 282 | P | 94.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 73.4 Ų | 73.4 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | trans | -66.5 | 134.1 | -173.8 | 28.4 | -35.1 | 0 | 0 | 0 | 111.7 | I155 E280 E286 V287 | I155-P282 HydrophobicContact CB-CB 4.27Å; I155-P282 HydrophobicContact CD1-CB 4.17Å; I155-P282 HydrophobicContact CG2-CB 3.66Å; I155-P282 HydrophobicContact CG2-CG 4.28Å; E280-P282 WeakPolarHBondContact O-CD 3.45Å; P282-E286 WeakPolarHBondContact CA-OE2 3.46Å; P282-V287 HydrophobicContact CB-CG2 3.95Å; P282-V287 HydrophobicContact CG-CG2 4.22Å | ||
| 283 | T | 96.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 76.8 Ų | 76.8 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | trans | -68.3 | 160.2 | 173.8 | 60 | 0 | 0 | 0 | 0 | 110.9 | N281 E285 E286 V287 | N281-T283 PolarHBondContact O-N 2.8Å; T283-E285 PolarHBondContact O-N 3.38Å; T283-E286 PolarHBondContact N-OE2 3.17Å; T283-E286 PolarHBondContact O-N 3.05Å; T283-E286 VanDerWaalsContact OG1-CB 3.29Å; T283-E286 WeakPolarHBondContact OG1-CB 3.3Å; T283-E286 VanDerWaalsContact OG1-CD 3.26Å; T283-E286 WeakPolarHBondContact OG1-CG 3.24Å; T283-E286 PolarHBondContact OG1-N 3.43Å; T283-E286 PolarHBondContact OG1-OE2 2.82Å; T283-V287 WeakPolarHBondContact O-CG2 3.32Å; T283-V287 PolarHBondContact O-N 2.79Å | ||
| 284 | R | 96.8 | Very high | 95.4 | Very high | 200 Ų | 200 | 74.5 Ų | 74.5 | 76% | 0.755 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63 | -36.5 | 177.4 | -73.4 | 177.2 | 67.2 | -177 | -0 | 110.9 | V287 N288 | R284-V287 PolarHBondContact O-N 3Å; R284-N288 WeakPolarHBondContact O-CB 3.25Å; R284-N288 PolarHBondContact O-N 3.22Å; R284-N288 PolarHBondContact O-ND2 3.08Å |
| 285 | E | 97.3 | Very high | 95.5 | Very high | 123 Ų | 123 | 75.8 Ų | 75.8 | 58% | 0.575 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | -179.6 | -63.7 | 65.1 | -139.9 | 0 | 0 | 110.8 | T283 N288 R289 | T283-E285 PolarHBondContact O-N 3.38Å; E285-N288 PolarHBondContact O-N 2.92Å; E285-R289 WeakPolarHBondContact O-CB 3.5Å; E285-R289 PolarHBondContact O-N 2.79Å |
| 286 | E | 95.9 | Very high | 95.8 | Very high | 52 Ų | 52 | 72.8 Ų | 72.8 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 172.2 | -83.3 | 165.9 | 157.4 | 0 | 0 | 112.4 | N279 P282 T283 N288 R289 V290 | N279-E286 PolarHBondContact ND2-OE1 3.06Å; N279-E286 PolarHBondContact ND2-OE2 3.08Å; P282-E286 WeakPolarHBondContact CA-OE2 3.46Å; T283-E286 PolarHBondContact N-OE2 3.17Å; T283-E286 PolarHBondContact O-N 3.05Å; T283-E286 VanDerWaalsContact OG1-CB 3.29Å; T283-E286 WeakPolarHBondContact OG1-CB 3.3Å; T283-E286 VanDerWaalsContact OG1-CD 3.26Å; T283-E286 WeakPolarHBondContact OG1-CG 3.24Å; T283-E286 PolarHBondContact OG1-N 3.43Å; T283-E286 PolarHBondContact OG1-OE2 2.82Å; E286-N288 VanDerWaalsContact C-N 3.31Å; E286-N288 PolarHBondContact O-N 3.08Å; E286-R289 PolarHBondContact O-N 3.08Å; E286-V290 WeakPolarHBondContact O-CG2 3.23Å; E286-V290 PolarHBondContact O-N 3.33Å |
| 287 | V | 97.9 | Very high | 96 | Very high | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.03 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | K148 V151 K152 I155 P282 T283 R284 H291 | K148-V287 HydrophobicContact CB-CG1 3.8Å; K148-V287 HydrophobicContact CD-CG1 4.23Å; K148-V287 HydrophobicContact CG-CG1 4.32Å; V151-V287 HydrophobicContact CB-CG1 4.44Å; V151-V287 HydrophobicContact CG1-CG1 4.14Å; K152-V287 HydrophobicContact CG-CG1 4.04Å; K152-V287 HydrophobicContact CG-CG2 3.81Å; I155-V287 HydrophobicContact CD1-CB 4.39Å; I155-V287 HydrophobicContact CD1-CG2 3.89Å; P282-V287 HydrophobicContact CB-CG2 3.95Å; P282-V287 HydrophobicContact CG-CG2 4.22Å; T283-V287 WeakPolarHBondContact O-CG2 3.32Å; T283-V287 PolarHBondContact O-N 2.79Å; R284-V287 PolarHBondContact O-N 3Å; V287-H291 WeakPolarHBondContact O-CB 3.26Å; V287-H291 PolarHBondContact O-N 2.89Å |
| 288 | N | 98 | Very high | 96.3 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 178.2 | -70.8 | -18.9 | 0 | 0 | 0 | 111.1 | K148 R284 E285 E286 V290 H291 D292 | K148-N288 WeakPolarHBondContact CE-OD1 3.37Å; K148-N288 PolarHBondContact NZ-OD1 3.29Å; R284-N288 WeakPolarHBondContact O-CB 3.25Å; R284-N288 PolarHBondContact O-N 3.22Å; R284-N288 PolarHBondContact O-ND2 3.08Å; E285-N288 PolarHBondContact O-N 2.92Å; E286-N288 VanDerWaalsContact C-N 3.31Å; E286-N288 PolarHBondContact O-N 3.08Å; N288-V290 PolarHBondContact O-N 3.13Å; N288-H291 CarbonylContact O-C 3.48Å; N288-H291 WeakPolarHBondContact O-CB 3.43Å; N288-H291 PolarHBondContact O-N 3.05Å; N288-H291 VanDerWaalsContact O-N 3.13Å; N288-D292 WeakPolarHBondContact O-CB 3.44Å; N288-D292 PolarHBondContact O-N 3.4Å |
| 289 | R | 97.9 | Very high | 96.7 | Very high | 149 Ų | 149 | 68.6 Ų | 68.6 | 56% | 0.562 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.4 | -45.9 | 179.2 | 178.8 | 176.2 | 58.1 | -114.5 | 6 | 112.9 | E285 E286 H291 R293 | E285-R289 WeakPolarHBondContact O-CB 3.5Å; E285-R289 PolarHBondContact O-N 2.79Å; E286-R289 PolarHBondContact O-N 3.08Å; R289-H291 VanDerWaalsContact C-N 3.34Å; R289-R293 PolarHBondContact O-N 2.81Å; R289-R293 VanDerWaalsContact O-N 3.1Å |
| 290 | V | 97.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 72.7 Ų | 72.7 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | V151 I155 L206 V276 E286 N288 R293 Y294 | V151-V290 HydrophobicContact CG1-CB 3.72Å; V151-V290 HydrophobicContact CG1-CG1 3.66Å; I155-V290 HydrophobicContact CD1-CB 4.31Å; I155-V290 HydrophobicContact CD1-CG2 4.12Å; I155-V290 HydrophobicContact CG1-CG2 4.24Å; L206-V290 HydrophobicContact CD1-CG1 3.93Å; V276-V290 HydrophobicContact CG1-CG1 4.11Å; V276-V290 HydrophobicContact CG1-CG2 4.18Å; V276-V290 HydrophobicContact CG2-CG1 3.96Å; E286-V290 WeakPolarHBondContact O-CG2 3.23Å; E286-V290 PolarHBondContact O-N 3.33Å; N288-V290 PolarHBondContact O-N 3.13Å; V290-R293 PolarHBondContact O-N 2.77Å; V290-Y294 WeakPolarHBondContact O-CB 3.26Å; V290-Y294 PolarHBondContact O-N 3.3Å |
| 291 | H | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 176.7 | -174.2 | -107.1 | 0 | 0 | 0 | 112.6 | L144 R145 K148 V151 V287 N288 R289 R293 Y294 I295 | L144-H291 PolarHBondContact O-CE1 3.37Å; L144-H291 VanDerWaalsContact O-CE1 3.25Å; L144-H291 PolarHBondContact O-NE2 2.86Å; L144-H291 VanDerWaalsContact O-NE2 3.1Å; R145-H291 PolarHBondContact O-CE1 2.66Å; R145-H291 VanDerWaalsContact O-CE1 3.28Å; K148-H291 HydrophobicContact CG-CB 4.42Å; V151-H291 HydrophobicContact CG2-CB 4.03Å; V287-H291 WeakPolarHBondContact O-CB 3.26Å; V287-H291 PolarHBondContact O-N 2.89Å; N288-H291 CarbonylContact O-C 3.48Å; N288-H291 WeakPolarHBondContact O-CB 3.43Å; N288-H291 PolarHBondContact O-N 3.05Å; N288-H291 VanDerWaalsContact O-N 3.13Å; R289-H291 VanDerWaalsContact C-N 3.34Å; H291-R293 VanDerWaalsContact C-N 3.34Å; H291-Y294 WeakPolarHBondContact O-CB 3.48Å; H291-Y294 PolarHBondContact O-N 3.36Å; H291-I295 WeakPolarHBondContact CE1-CD1 3.28Å; H291-I295 WeakPolarHBondContact O-CG1 3.36Å; H291-I295 PolarHBondContact O-N 3.25Å |
| 292 | D | 98.1 | Very high | 97.5 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.5 | -64.4 | -20.9 | 0 | 0 | 0 | 110.6 | N288 I295 S296 | N288-D292 WeakPolarHBondContact O-CB 3.44Å; N288-D292 PolarHBondContact O-N 3.4Å; D292-I295 PolarHBondContact O-N 2.78Å; D292-S296 WeakPolarHBondContact O-CB 3.39Å; D292-S296 PolarHBondContact O-N 3.12Å |
| 293 | R | 97.9 | Very high | 97.6 | Very high | 133 Ų | 133 | 62.8 Ų | 62.8 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 171.1 | -174.4 | 178.4 | -178.9 | -166.7 | 0.2 | 111.5 | I274 R289 V290 H291 I295 S296 E297 | I274-R293 HydrophobicContact CG2-CG 4.32Å; R289-R293 PolarHBondContact O-N 2.81Å; R289-R293 VanDerWaalsContact O-N 3.1Å; V290-R293 PolarHBondContact O-N 2.77Å; H291-R293 VanDerWaalsContact C-N 3.34Å; R293-I295 PolarHBondContact O-N 2.72Å; R293-S296 PolarHBondContact O-N 3.16Å; R293-E297 WeakPolarHBondContact O-CG 3.36Å; R293-E297 PolarHBondContact O-N 2.91Å |
| 294 | Y | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 176.8 | 175.4 | -87.1 | 0 | 0 | 0 | 111.9 | V28 H30 L144 F150 L206 P208 I274 V290 H291 E297 L298 | V28-Y294 HydrophobicContact CB-CE2 4.12Å; V28-Y294 WeakPolarHBondContact CB-OH 3.45Å; V28-Y294 WeakPolarHBondContact CG1-OH 3.37Å; V28-Y294 HydrophobicContact CG2-CE2 4.5Å; V28-Y294 PolarHBondContact O-OH 2.9Å; V28-Y294 VanDerWaalsContact O-OH 3.12Å; H30-Y294 PolarHBondContact CD2-OH 3.06Å; H30-Y294 AromaticContact NE2-CE1 3.78Å; H30-Y294 AromaticContact NE2-CZ 3.73Å; H30-Y294 PolarHBondContact NE2-OH 2.79Å; L144-Y294 HydrophobicContact CD1-CE1 4.45Å; L144-Y294 HydrophobicContact CD2-CD1 4.28Å; L144-Y294 HydrophobicContact CD2-CE1 3.87Å; F150-Y294 AromaticContact CE2-CD1 3.88Å; F150-Y294 HydrophobicContact CE2-CD1 3.88Å; F150-Y294 AromaticContact CE2-CD2 3.97Å; F150-Y294 HydrophobicContact CE2-CD2 3.97Å; F150-Y294 AromaticContact CE2-CE1 3.98Å; F150-Y294 HydrophobicContact CE2-CE1 3.98Å; F150-Y294 HydrophobicContact CE2-CE2 4.06Å; F150-Y294 AromaticContact CE2-CG 3.9Å; F150-Y294 HydrophobicContact CE2-CG 3.9Å; F150-Y294 AromaticContact CZ-CD1 3.66Å; F150-Y294 HydrophobicContact CZ-CD1 3.66Å; F150-Y294 AromaticContact CZ-CE1 3.68Å; F150-Y294 HydrophobicContact CZ-CE1 3.68Å; F150-Y294 HydrophobicContact CZ-CG 4.16Å; L206-Y294 HydrophobicContact CB-CD2 4.29Å; L206-Y294 HydrophobicContact CD1-CD2 4.41Å; P208-Y294 HydrophobicContact CB-CE2 3.83Å; I274-Y294 HydrophobicContact CD1-CD2 4.07Å; V290-Y294 WeakPolarHBondContact O-CB 3.26Å; V290-Y294 PolarHBondContact O-N 3.3Å; H291-Y294 WeakPolarHBondContact O-CB 3.48Å; H291-Y294 PolarHBondContact O-N 3.36Å; Y294-E297 PolarHBondContact O-N 2.9Å; Y294-L298 HydrophobicContact CE1-CB 4.5Å; Y294-L298 HydrophobicContact CE1-CD2 4.12Å; Y294-L298 WeakPolarHBondContact O-CB 3.39Å; Y294-L298 PolarHBondContact O-N 3.43Å |
| 295 | I | 98 | Very high | 97.6 | Very high | 32 Ų | 32 | 56 Ų | 56 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.1 | -73.3 | 173.2 | 0 | 0 | 0 | 110.6 | L144 H291 D292 R293 E297 L298 V299 I319 | L144-I295 HydrophobicContact CD2-CG1 3.88Å; L144-I295 HydrophobicContact CG-CG1 4.29Å; H291-I295 WeakPolarHBondContact CE1-CD1 3.28Å; H291-I295 WeakPolarHBondContact O-CG1 3.36Å; H291-I295 PolarHBondContact O-N 3.25Å; D292-I295 PolarHBondContact O-N 2.78Å; R293-I295 PolarHBondContact O-N 2.72Å; I295-E297 VanDerWaalsContact C-N 3.35Å; I295-E297 PolarHBondContact O-N 2.86Å; I295-L298 PolarHBondContact O-N 2.87Å; I295-V299 HydrophobicContact CG2-CG2 4.17Å; I295-V299 WeakPolarHBondContact O-CB 3.38Å; I295-V299 WeakPolarHBondContact O-CG2 3.25Å; I295-V299 PolarHBondContact O-N 3.46Å; I295-I319 HydrophobicContact CD1-CG2 4.23Å; I295-I319 HydrophobicContact CG2-CG1 4.18Å |
| 296 | S | 98 | Very high | 97.6 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 112 | D292 R293 K300 | D292-S296 WeakPolarHBondContact O-CB 3.39Å; D292-S296 PolarHBondContact O-N 3.12Å; R293-S296 PolarHBondContact O-N 3.16Å; S296-K300 VanDerWaalsContact O-CB 3.31Å; S296-K300 WeakPolarHBondContact O-CB 3.4Å; S296-K300 PolarHBondContact O-N 3.43Å |
| 297 | E | 97.9 | Very high | 97.6 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.8 | -36.6 | 177.8 | -66.9 | -58.2 | 150.6 | 0 | 0 | 112.3 | P208 I274 R293 Y294 I295 K300 L301 | P208-E297 HydrophobicContact CG-CB 4.25Å; I274-E297 HydrophobicContact CD1-CB 3.85Å; I274-E297 HydrophobicContact CD1-CG 3.8Å; I274-E297 HydrophobicContact CG1-CG 4.21Å; R293-E297 WeakPolarHBondContact O-CG 3.36Å; R293-E297 PolarHBondContact O-N 2.91Å; Y294-E297 PolarHBondContact O-N 2.9Å; I295-E297 VanDerWaalsContact C-N 3.35Å; I295-E297 PolarHBondContact O-N 2.86Å; E297-K300 PolarHBondContact O-N 2.82Å; E297-L301 WeakPolarHBondContact O-CB 3.22Å; E297-L301 PolarHBondContact O-N 2.87Å |
| 298 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 175.2 | 179.7 | 65.2 | 0 | 0 | 0 | 111.9 | I142 L144 P208 Y210 Y294 I295 L301 F302 L317 | I142-L298 HydrophobicContact CD1-CD2 3.55Å; L144-L298 HydrophobicContact CD2-CD2 3.68Å; P208-L298 HydrophobicContact CB-CB 4.11Å; P208-L298 HydrophobicContact CB-CD1 4.03Å; Y210-L298 HydrophobicContact CD2-CD1 4.46Å; Y294-L298 HydrophobicContact CE1-CB 4.5Å; Y294-L298 HydrophobicContact CE1-CD2 4.12Å; Y294-L298 WeakPolarHBondContact O-CB 3.39Å; Y294-L298 PolarHBondContact O-N 3.43Å; I295-L298 PolarHBondContact O-N 2.87Å; L298-L301 WeakPolarHBondContact O-CB 3.36Å; L298-L301 PolarHBondContact O-N 2.85Å; L298-F302 PolarHBondContact O-N 3.49Å; L298-L317 HydrophobicContact CG-CD2 4.28Å |
| 299 | V | 98 | Very high | 97.3 | Very high | 45 Ų | 45 | 55.1 Ų | 55.1 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.9 | 170 | 0 | 0 | 0 | 0 | 109.5 | I295 L301 F302 E303 L317 I319 | I295-V299 HydrophobicContact CG2-CG2 4.17Å; I295-V299 WeakPolarHBondContact O-CB 3.38Å; I295-V299 WeakPolarHBondContact O-CG2 3.25Å; I295-V299 PolarHBondContact O-N 3.46Å; V299-L301 VanDerWaalsContact C-N 3.29Å; V299-L301 PolarHBondContact O-N 3.35Å; V299-F302 WeakPolarHBondContact O-CB 3.43Å; V299-F302 PolarHBondContact O-N 3.09Å; V299-F302 VanDerWaalsContact O-N 3.11Å; V299-E303 HydrophobicContact CG1-CG 4Å; V299-E303 WeakPolarHBondContact O-CB 3.47Å; V299-E303 VanDerWaalsContact O-CG 3.24Å; V299-E303 WeakPolarHBondContact O-CG 3.39Å; V299-E303 PolarHBondContact O-N 2.99Å; V299-L317 HydrophobicContact CG2-CD2 4.29Å; V299-I319 HydrophobicContact CG2-CD1 4.5Å |
| 300 | K | 97.7 | Very high | 97.1 | Very high | 133 Ų | 133 | 51.5 Ų | 51.5 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56.4 | -43.7 | 175.4 | -176.8 | -177.9 | 175.1 | -173.3 | 0 | 112.1 | S296 E297 F302 E303 S304 | S296-K300 VanDerWaalsContact O-CB 3.31Å; S296-K300 WeakPolarHBondContact O-CB 3.4Å; S296-K300 PolarHBondContact O-N 3.43Å; E297-K300 PolarHBondContact O-N 2.82Å; K300-F302 VanDerWaalsContact C-N 3.33Å; K300-F302 PolarHBondContact O-N 3.39Å; K300-E303 PolarHBondContact O-N 3.02Å; K300-S304 WeakPolarHBondContact O-CB 3.41Å; K300-S304 PolarHBondContact O-N 3.22Å; K300-S304 PolarHBondContact O-OG 2.79Å |
| 301 | L | 97.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.8 | -171 | 72.5 | 0 | 0 | 0 | 111.8 | T16 V269 E297 L298 V299 S304 H305 | T16-L301 HydrophobicContact CG2-CD1 3.86Å; V269-L301 HydrophobicContact CG1-CD1 3.78Å; V269-L301 HydrophobicContact CG1-CD2 4.42Å; V269-L301 HydrophobicContact CG1-CG 4.18Å; E297-L301 WeakPolarHBondContact O-CB 3.22Å; E297-L301 PolarHBondContact O-N 2.87Å; L298-L301 WeakPolarHBondContact O-CB 3.36Å; L298-L301 PolarHBondContact O-N 2.85Å; V299-L301 VanDerWaalsContact C-N 3.29Å; V299-L301 PolarHBondContact O-N 3.35Å; L301-S304 PolarHBondContact O-OG 3.05Å; L301-H305 PolarHBondContact O-ND1 3.39Å |
| 302 | F | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.6 | -53.8 | 176.2 | 176.7 | -93.3 | 0 | 0 | 0 | 111.1 | H140 Y210 F212 L298 V299 K300 S304 H305 K306 I311 L317 | H140-F302 HydrophobicContact CB-CE2 4.17Å; H140-F302 HydrophobicContact CB-CZ 3.96Å; H140-F302 AromaticContact CG-CE2 3.86Å; H140-F302 AromaticContact CG-CZ 3.7Å; H140-F302 AromaticContact ND1-CE2 3.58Å; H140-F302 AromaticContact ND1-CZ 3.87Å; Y210-F302 HydrophobicContact CD1-CD2 4.04Å; Y210-F302 HydrophobicContact CD2-CD2 4.19Å; Y210-F302 AromaticContact CE1-CD2 3.71Å; Y210-F302 HydrophobicContact CE1-CD2 3.71Å; Y210-F302 AromaticContact CE1-CE2 3.88Å; Y210-F302 HydrophobicContact CE1-CE2 3.88Å; Y210-F302 AromaticContact CE2-CD2 3.85Å; Y210-F302 HydrophobicContact CE2-CD2 3.85Å; Y210-F302 HydrophobicContact CE2-CE2 4.31Å; Y210-F302 HydrophobicContact CG-CD2 4.29Å; Y210-F302 AromaticContact CZ-CD2 3.62Å; Y210-F302 AromaticContact CZ-CE2 3.71Å; F212-F302 HydrophobicContact CD1-CE2 4.48Å; F212-F302 AromaticContact CE1-CD2 3.68Å; F212-F302 HydrophobicContact CE1-CD2 3.68Å; F212-F302 AromaticContact CE1-CE2 3.75Å; F212-F302 HydrophobicContact CE1-CE2 3.75Å; F212-F302 AromaticContact CZ-CD2 3.99Å; F212-F302 HydrophobicContact CZ-CD2 3.99Å; L298-F302 PolarHBondContact O-N 3.49Å; V299-F302 WeakPolarHBondContact O-CB 3.43Å; V299-F302 PolarHBondContact O-N 3.09Å; V299-F302 VanDerWaalsContact O-N 3.11Å; K300-F302 VanDerWaalsContact C-N 3.33Å; K300-F302 PolarHBondContact O-N 3.39Å; F302-S304 VanDerWaalsContact C-N 3.31Å; F302-S304 PolarHBondContact O-N 3.03Å; F302-H305 PolarHBondContact O-N 3.22Å; F302-H305 VanDerWaalsContact O-N 3.08Å; F302-K306 HydrophobicContact CD1-CB 4.37Å; F302-K306 HydrophobicContact CD1-CD 4.14Å; F302-K306 HydrophobicContact CE1-CB 4.01Å; F302-K306 HydrophobicContact CE1-CD 3.68Å; F302-K306 HydrophobicContact CE1-CG 4.48Å; F302-K306 HydrophobicContact CE2-CB 4.49Å; F302-K306 HydrophobicContact CZ-CB 4.07Å; F302-K306 HydrophobicContact CZ-CD 4.42Å; F302-K306 WeakPolarHBondContact O-CB 3.24Å; F302-K306 PolarHBondContact O-N 2.78Å; F302-I311 HydrophobicContact CE2-CD1 4.22Å; F302-I311 HydrophobicContact CZ-CD1 4.31Å; F302-I311 HydrophobicContact CZ-CG2 4.41Å; F302-L317 HydrophobicContact CB-CB 4.44Å; F302-L317 HydrophobicContact CB-CD2 4.1Å; F302-L317 HydrophobicContact CD1-CB 3.72Å; F302-L317 HydrophobicContact CD2-CB 4.47Å; F302-L317 HydrophobicContact CE1-CB 4.03Å; F302-L317 HydrophobicContact CG-CB 3.95Å; F302-L317 HydrophobicContact CG-CD2 4.3Å |
| 303 | E | 97.4 | Very high | 96.6 | Very high | 64 Ų | 64 | 57.2 Ų | 57.2 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.4 | -41.8 | -177.3 | -70.3 | -60.1 | 133.2 | 0 | 0 | 112.2 | V299 K300 H305 K306 | V299-E303 HydrophobicContact CG1-CG 4Å; V299-E303 WeakPolarHBondContact O-CB 3.47Å; V299-E303 VanDerWaalsContact O-CG 3.24Å; V299-E303 WeakPolarHBondContact O-CG 3.39Å; V299-E303 PolarHBondContact O-N 2.99Å; K300-E303 PolarHBondContact O-N 3.02Å; E303-H305 PolarHBondContact O-N 3.3Å; E303-K306 VanDerWaalsContact CD-NZ 3.33Å; E303-K306 IonicContact OE1-NZ 4Å; E303-K306 PolarHBondContact OE1-NZ 3.12Å; E303-K306 WeakPolarHBondContact OE2-CE 3.2Å; E303-K306 IonicContact OE2-NZ 3.7Å; E303-K306 PolarHBondContact OE2-NZ 3.39Å |
| 304 | S | 96.6 | Very high | 96.4 | Very high | 83 Ų | 83 | 59.7 Ų | 59.7 | 58% | 0.58 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71 | -17.1 | -179.1 | 70.6 | 0 | 0 | 0 | 0 | 114.2 | K300 L301 F302 | K300-S304 WeakPolarHBondContact O-CB 3.41Å; K300-S304 PolarHBondContact O-N 3.22Å; K300-S304 PolarHBondContact O-OG 2.79Å; L301-S304 PolarHBondContact O-OG 3.05Å; F302-S304 VanDerWaalsContact C-N 3.31Å; F302-S304 PolarHBondContact O-N 3.03Å |
| 305 | H | 97 | Very high | 96.2 | Very high | 38 Ų | 38 | 61.9 Ų | 61.9 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -117.1 | -19.4 | -174.7 | -66.3 | 92.3 | 0 | 0 | 0 | 114 | F212 L301 F302 E303 C307 S308 F309 | F212-H305 HydrophobicContact CE2-CB 3.8Å; F212-H305 HydrophobicContact CZ-CB 3.7Å; L301-H305 PolarHBondContact O-ND1 3.39Å; F302-H305 PolarHBondContact O-N 3.22Å; F302-H305 VanDerWaalsContact O-N 3.08Å; E303-H305 PolarHBondContact O-N 3.3Å; H305-C307 VanDerWaalsContact C-N 3.33Å; H305-C307 PolarHBondContact O-N 3.34Å; H305-S308 WeakPolarHBondContact O-CB 3.49Å; H305-S308 PolarHBondContact O-N 3.21Å; H305-S308 PolarHBondContact O-OG 2.73Å; H305-F309 HydrophobicContact CB-CD2 4.32Å; H305-F309 HydrophobicContact CB-CE2 4.05Å; H305-F309 VanDerWaalsContact O-CD2 3.29Å; H305-F309 WeakPolarHBondContact O-CD2 3.25Å |
| 306 | K | 96.4 | Very high | 96 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -53.7 | -44.2 | -170.5 | 71.4 | -175 | -175.9 | 179.2 | 0 | 113.5 | F212 F302 E303 S308 F309 G310 I311 E313 T315 | F212-K306 HydrophobicContact CE1-CB 4.25Å; F302-K306 HydrophobicContact CD1-CB 4.37Å; F302-K306 HydrophobicContact CD1-CD 4.14Å; F302-K306 HydrophobicContact CE1-CB 4.01Å; F302-K306 HydrophobicContact CE1-CD 3.68Å; F302-K306 HydrophobicContact CE1-CG 4.48Å; F302-K306 HydrophobicContact CE2-CB 4.49Å; F302-K306 HydrophobicContact CZ-CB 4.07Å; F302-K306 HydrophobicContact CZ-CD 4.42Å; F302-K306 WeakPolarHBondContact O-CB 3.24Å; F302-K306 PolarHBondContact O-N 2.78Å; E303-K306 VanDerWaalsContact CD-NZ 3.33Å; E303-K306 IonicContact OE1-NZ 4Å; E303-K306 PolarHBondContact OE1-NZ 3.12Å; E303-K306 WeakPolarHBondContact OE2-CE 3.2Å; E303-K306 IonicContact OE2-NZ 3.7Å; E303-K306 PolarHBondContact OE2-NZ 3.39Å; K306-S308 VanDerWaalsContact C-N 3.29Å; K306-S308 PolarHBondContact O-N 3.2Å; K306-F309 PolarHBondContact O-N 3.44Å; K306-G310 PolarHBondContact O-N 3.35Å; K306-I311 HydrophobicContact CB-CB 3.93Å; K306-I311 HydrophobicContact CB-CD1 4.18Å; K306-I311 HydrophobicContact CB-CG2 4.04Å; K306-I311 WeakPolarHBondContact O-CB 3.26Å; K306-I311 PolarHBondContact O-N 2.98Å; K306-I311 VanDerWaalsContact O-N 3.12Å; K306-E313 WeakPolarHBondContact CE-O 3.4Å; K306-E313 PolarHBondContact NZ-O 3.2Å; K306-T315 WeakPolarHBondContact CD-O 3.34Å; K306-T315 PolarHBondContact NZ-O 3.16Å |
| 307 | C | 96.1 | Very high | 95.9 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -63.8 | -33.7 | -179.6 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | H305 F309 G310 I311 | H305-C307 VanDerWaalsContact C-N 3.33Å; H305-C307 PolarHBondContact O-N 3.34Å; C307-F309 PolarHBondContact O-N 3.38Å; C307-G310 PolarHBondContact O-N 3.02Å; C307-G310 VanDerWaalsContact O-N 3.11Å; C307-I311 WeakPolarHBondContact CA-O 3.47Å |
| 308 | S | 95.2 | Very high | 95.8 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -68.1 | -15.5 | 177.4 | 76.1 | 0 | 0 | 0 | 0 | 113.6 | H305 K306 | H305-S308 WeakPolarHBondContact O-CB 3.49Å; H305-S308 PolarHBondContact O-N 3.21Å; H305-S308 PolarHBondContact O-OG 2.73Å; K306-S308 VanDerWaalsContact C-N 3.29Å; K306-S308 PolarHBondContact O-N 3.2Å |
| 309 | F | 94 | Very high | 95.7 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 26% | 0.263 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -106.5 | 15.2 | 176 | -64.6 | -69.9 | 0 | 0 | 0 | 112.9 | F212 C267 V269 H305 K306 C307 I311 | F212-F309 HydrophobicContact CB-CB 4.09Å; F212-F309 HydrophobicContact CB-CD1 4.01Å; F212-F309 HydrophobicContact CB-CD2 3.83Å; F212-F309 HydrophobicContact CB-CE1 4.45Å; F212-F309 HydrophobicContact CB-CE2 4.26Å; F212-F309 HydrophobicContact CB-CG 3.69Å; F212-F309 HydrophobicContact CD1-CB 4.05Å; F212-F309 AromaticContact CD1-CD2 3.66Å; F212-F309 HydrophobicContact CD1-CD2 3.66Å; F212-F309 HydrophobicContact CD1-CE2 4.44Å; F212-F309 HydrophobicContact CD1-CG 4.04Å; F212-F309 AromaticContact CD2-CD2 3.4Å; F212-F309 HydrophobicContact CD2-CD2 3.4Å; F212-F309 VanDerWaalsContact CD2-CD2 3.4Å; F212-F309 AromaticContact CD2-CE2 3.33Å; F212-F309 HydrophobicContact CD2-CE2 3.33Å; F212-F309 HydrophobicContact CD2-CG 4.18Å; F212-F309 HydrophobicContact CD2-CZ 4.08Å; F212-F309 HydrophobicContact CE1-CD2 4.02Å; F212-F309 AromaticContact CE2-CD2 3.78Å; F212-F309 HydrophobicContact CE2-CD2 3.78Å; F212-F309 AromaticContact CE2-CE2 3.68Å; F212-F309 HydrophobicContact CE2-CE2 3.68Å; F212-F309 HydrophobicContact CG-CB 4.16Å; F212-F309 HydrophobicContact CG-CD1 4.41Å; F212-F309 AromaticContact CG-CD2 3.32Å; F212-F309 HydrophobicContact CG-CD2 3.32Å; F212-F309 AromaticContact CG-CE2 3.76Å; F212-F309 HydrophobicContact CG-CE2 3.76Å; F212-F309 AromaticContact CG-CG 3.71Å; F212-F309 HydrophobicContact CG-CG 3.71Å; F212-F309 HydrophobicContact CG-CZ 4.48Å; F212-F309 HydrophobicContact CZ-CD2 4.06Å; F212-F309 HydrophobicContact CZ-CE2 4.36Å; C267-F309 HydrophobicContact CB-CD1 4.13Å; C267-F309 HydrophobicContact CB-CE1 3.21Å; C267-F309 HydrophobicContact CB-CZ 3.54Å; C267-F309 WeakPolarHBondContact SG-CZ 2.98Å; V269-F309 HydrophobicContact CG2-CE2 4.05Å; V269-F309 HydrophobicContact CG2-CZ 4.28Å; H305-F309 HydrophobicContact CB-CD2 4.32Å; H305-F309 HydrophobicContact CB-CE2 4.05Å; H305-F309 VanDerWaalsContact O-CD2 3.29Å; H305-F309 WeakPolarHBondContact O-CD2 3.25Å; K306-F309 PolarHBondContact O-N 3.44Å; C307-F309 PolarHBondContact O-N 3.38Å; F309-I311 VanDerWaalsContact C-N 3.3Å; F309-I311 PolarHBondContact O-N 3.2Å |
| 310 | G | 93.3 | Very high | 95.4 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 75% | 0.753 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 13.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K306 C307 | K306-G310 PolarHBondContact O-N 3.35Å; C307-G310 PolarHBondContact O-N 3.02Å; C307-G310 VanDerWaalsContact O-N 3.11Å |
| 311 | I | 94.7 | Very high | 95.3 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | trans | -84.9 | 135.4 | 174.6 | -60.7 | 162.2 | 0 | 0 | 0 | 108.7 | H140 F212 F302 K306 C307 F309 T315 | H140-I311 WeakPolarHBondContact CE1-CD1 3.15Å; F212-I311 HydrophobicContact CD1-CD1 3.54Å; F212-I311 HydrophobicContact CE1-CD1 3.82Å; F302-I311 HydrophobicContact CE2-CD1 4.22Å; F302-I311 HydrophobicContact CZ-CD1 4.31Å; F302-I311 HydrophobicContact CZ-CG2 4.41Å; K306-I311 HydrophobicContact CB-CB 3.93Å; K306-I311 HydrophobicContact CB-CD1 4.18Å; K306-I311 HydrophobicContact CB-CG2 4.04Å; K306-I311 WeakPolarHBondContact O-CB 3.26Å; K306-I311 PolarHBondContact O-N 2.98Å; K306-I311 VanDerWaalsContact O-N 3.12Å; C307-I311 WeakPolarHBondContact CA-O 3.47Å; F309-I311 VanDerWaalsContact C-N 3.3Å; F309-I311 PolarHBondContact O-N 3.2Å; I311-T315 HydrophobicContact CG2-CG2 3.71Å | ||
| 312 | S | 94.4 | Very high | 95.2 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | trans | -59.4 | 143.6 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | K314 T315 | S312-K314 PolarHBondContact O-N 2.97Å; S312-K314 VanDerWaalsContact O-N 3.14Å; S312-K314 PolarHBondContact OG-N 3.07Å; S312-T315 WeakPolarHBondContact O-CB 3.5Å; S312-T315 PolarHBondContact O-N 2.71Å | ||
| 313 | E | 93.8 | Very high | 95 | Very high | 155 Ų | 155 | 69.9 Ų | 69.9 | 72% | 0.724 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.1 | 172.2 | -166.6 | 175.5 | -171.3 | 0 | 0 | 112.8 | K306 T315 | K306-E313 WeakPolarHBondContact CE-O 3.4Å; K306-E313 PolarHBondContact NZ-O 3.2Å; E313-T315 VanDerWaalsContact C-N 3.33Å |
| 314 | K | 93.9 | Very high | 94.9 | Very high | 185 Ų | 185 | 70.2 Ų | 70.2 | 80% | 0.804 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.4 | 178.1 | -61.9 | -177.6 | -179.3 | -179.9 | 0 | 113.6 | S312 N316 | S312-K314 PolarHBondContact O-N 2.97Å; S312-K314 VanDerWaalsContact O-N 3.14Å; S312-K314 PolarHBondContact OG-N 3.07Å; K314-N316 PolarHBondContact O-N 2.64Å |
| 315 | T | 94 | Very high | 94.8 | Very high | 45 Ų | 45 | 69.4 Ų | 69.4 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | trans | -78.1 | 122.9 | -179.5 | -60.9 | 0 | 0 | 0 | 0 | 109.3 | H140 K306 I311 S312 E313 | H140-T315 VanDerWaalsContact CD2-CG2 3.5Å; H140-T315 WeakPolarHBondContact CD2-CG2 3.49Å; K306-T315 WeakPolarHBondContact CD-O 3.34Å; K306-T315 PolarHBondContact NZ-O 3.16Å; I311-T315 HydrophobicContact CG2-CG2 3.71Å; S312-T315 WeakPolarHBondContact O-CB 3.5Å; S312-T315 PolarHBondContact O-N 2.71Å; E313-T315 VanDerWaalsContact C-N 3.33Å | ||
| 316 | N | 94.5 | Very high | 94.6 | Very high | 101 Ų | 101 | 71.5 Ų | 71.5 | 54% | 0.54 | 40% | 0.403 | S | S | . | . | trans | -108.2 | 149.3 | 177.9 | -62.1 | -48.1 | 0 | 0 | 0 | 110.7 | K314 Q318 | K314-N316 PolarHBondContact O-N 2.64Å; N316-Q318 PolarHBondContact O-N 2.91Å | ||
| 317 | L | 96.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 76.4 Ų | 76.4 | 8% | 0.079 | 43% | 0.43 | C | S | . | . | trans | -69.1 | 119.3 | 169.9 | -178.3 | 62.2 | 0 | 0 | 0 | 110 | H140 I142 Y210 L298 V299 F302 I319 | H140-L317 HydrophobicContact CB-CD1 4.23Å; I142-L317 HydrophobicContact CD1-CD1 4.29Å; I142-L317 HydrophobicContact CD1-CD2 4.06Å; I142-L317 HydrophobicContact CD1-CG 4.41Å; I142-L317 HydrophobicContact CG1-CD1 4.18Å; I142-L317 HydrophobicContact CG1-CG 4.49Å; I142-L317 HydrophobicContact CG2-CD1 4.2Å; Y210-L317 HydrophobicContact CE2-CD1 3.77Å; Y210-L317 HydrophobicContact CE2-CD2 4.43Å; L298-L317 HydrophobicContact CG-CD2 4.28Å; V299-L317 HydrophobicContact CG2-CD2 4.29Å; F302-L317 HydrophobicContact CB-CB 4.44Å; F302-L317 HydrophobicContact CB-CD2 4.1Å; F302-L317 HydrophobicContact CD1-CB 3.72Å; F302-L317 HydrophobicContact CD2-CB 4.47Å; F302-L317 HydrophobicContact CE1-CB 4.03Å; F302-L317 HydrophobicContact CG-CB 3.95Å; F302-L317 HydrophobicContact CG-CD2 4.3Å; L317-I319 HydrophobicContact CD2-CD1 3.99Å; L317-I319 HydrophobicContact CG-CD1 3.99Å | ||
| 318 | Q | 95.6 | Very high | 94.4 | Very high | 94 Ų | 94 | 76.5 Ų | 76.5 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.4 | 178.7 | -67.2 | 178.7 | 15.2 | 0 | 0 | 110 | H140 R141 I142 N316 | H140-Q318 PolarHBondContact O-N 2.98Å; R141-Q318 WeakPolarHBondContact CA-O 3.25Å; R141-Q318 HydrophobicContact CB-CB 4.47Å; R141-Q318 HydrophobicContact CG-CB 3.8Å; R141-Q318 HydrophobicContact CG-CG 4.41Å; I142-Q318 PolarHBondContact N-O 2.94Å; N316-Q318 PolarHBondContact O-N 2.91Å |
| 319 | I | 95.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 76.6 Ų | 76.6 | 12% | 0.123 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 108.4 | 174.4 | -51.9 | -59.1 | 0 | 0 | 0 | 109.2 | I142 L144 R145 I295 V299 L317 | I142-I319 HydrophobicContact CD1-CD1 3.51Å; I142-I319 HydrophobicContact CG1-CD1 3.54Å; L144-I319 HydrophobicContact CB-CG2 4.12Å; R145-I319 HydrophobicContact CB-CG2 4.36Å; R145-I319 PolarHBondContact NH2-O 2.74Å; I295-I319 HydrophobicContact CD1-CG2 4.23Å; I295-I319 HydrophobicContact CG2-CG1 4.18Å; V299-I319 HydrophobicContact CG2-CD1 4.5Å; L317-I319 HydrophobicContact CD2-CD1 3.99Å; L317-I319 HydrophobicContact CG-CD1 3.99Å |
| 320 | L | 92.2 | Very high | 94.4 | Very high | 79 Ų | 79 | 78.1 Ų | 78.1 | 41% | 0.414 | 43% | 0.429 | S | S | . | . | trans | -90.4 | 0 | 173.9 | -57.6 | -178.5 | 0 | 0 | 0 | 110.8 | E134 R141 I142 I143 L144 R145 | E134-L320 HydrophobicContact CG-CD1 4.27Å; R141-L320 HydrophobicContact CB-CD1 4.09Å; R141-L320 HydrophobicContact CG-CD1 4.47Å; I142-L320 PolarHBondContact O-N 3.32Å; I143-L320 CarbonylContact C-O 3.6Å; I143-L320 WeakPolarHBondContact CA-O 3.47Å; I143-L320 HydrophobicContact CG1-CB 4.22Å; L144-L320 PolarHBondContact N-O 3.02Å; R145-L320 VanDerWaalsContact CB-C 3.48Å; R145-L320 VanDerWaalsContact CB-O 3.32Å; R145-L320 WeakPolarHBondContact CB-O 2.96Å; R145-L320 WeakPolarHBondContact CB-OXT 3.47Å; R145-L320 PolarHBondContact N-O 3.05Å; R145-L320 PolarHBondContact NE-OXT 3Å |
Retrieved 320 of 320 residues in 324 ms
(Link to these results)