| 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 | 60.3 | Low | 87.2 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | 0 | 141.9 | 0 | -150 | 176.9 | -164.9 | 0 | 0 | 108.5 | R9 F39 H122 | M1-R9 VanDerWaalsContact CE-NH1 3.26Å; M1-R9 PolarHBondContact SD-NH2 2.58Å; M1-F39 HydrophobicContact CE-CE1 3.7Å; M1-F39 HydrophobicContact CE-CZ 4Å; M1-F39 HydrophobicContact SD-CE1 4.4Å; M1-F39 HydrophobicContact SD-CZ 4.37Å; M1-H122 PolarHBondContact SD-CD2 2.84Å | |||
| 2 | S | 79.5 | Confident | 87.7 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | trans | -78.1 | 142.9 | -177.8 | 77.3 | 0 | 0 | 0 | 0 | 110.7 | S4 D5 | S2-S4 WeakPolarHBondContact CB-OG 3.34Å; S2-S4 PolarHBondContact O-N 3.21Å; S2-S4 PolarHBondContact OG-OG 2.66Å; S2-D5 PolarHBondContact O-N 2.72Å; S2-D5 PolarHBondContact OG-N 3.22Å; S2-D5 PolarHBondContact OG-OD1 3.23Å; S2-D5 PolarHBondContact OG-OD2 3Å | ||
| 3 | P | 81.3 | Confident | 88.3 | Confident | 75 Ų | 75 | 45.7 Ų | 45.7 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54 | -32.3 | 170.9 | -28.5 | 36.2 | 0 | 0 | 0 | 113.2 | S6 I7 L381 | P3-S6 PolarHBondContact O-N 3.38Å; P3-I7 WeakPolarHBondContact O-CG1 3.26Å; P3-I7 PolarHBondContact O-N 3.44Å; P3-L381 HydrophobicContact CB-CD1 3.94Å; P3-L381 HydrophobicContact CB-CD2 4.1Å |
| 4 | S | 86.2 | Confident | 88.7 | Confident | 80 Ų | 80 | 42.4 Ų | 42.4 | 56% | 0.559 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.3 | -41 | 178.4 | 39.6 | 0 | 0 | 0 | 0 | 113.5 | S2 S6 I7 E8 | S2-S4 WeakPolarHBondContact CB-OG 3.34Å; S2-S4 PolarHBondContact O-N 3.21Å; S2-S4 PolarHBondContact OG-OG 2.66Å; S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.16Å; S4-I7 PolarHBondContact O-N 2.86Å; S4-E8 PolarHBondContact O-N 3.23Å |
| 5 | D | 91.2 | Very high | 89.2 | Confident | 75 Ų | 75 | 47 Ų | 47 | 40% | 0.401 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.8 | -35.2 | -178.7 | -55.3 | -36.8 | 0 | 0 | 0 | 111.6 | S2 E8 R9 | S2-D5 PolarHBondContact O-N 2.72Å; S2-D5 PolarHBondContact OG-N 3.22Å; S2-D5 PolarHBondContact OG-OD1 3.23Å; S2-D5 PolarHBondContact OG-OD2 3Å; D5-E8 PolarHBondContact O-N 3.37Å; D5-R9 VanDerWaalsContact O-CZ 3.27Å; D5-R9 PolarHBondContact O-N 3.2Å; D5-R9 VanDerWaalsContact O-N 3.08Å; D5-R9 PolarHBondContact O-NH1 2.93Å |
| 6 | S | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -42.3 | 178.2 | -179 | 0 | 0 | 0 | 0 | 111.1 | P3 S4 F10 Y380 I384 | P3-S6 PolarHBondContact O-N 3.38Å; S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.16Å; S6-F10 WeakPolarHBondContact O-CB 3.09Å; S6-F10 PolarHBondContact O-N 2.97Å; S6-F10 VanDerWaalsContact O-N 3.13Å; S6-Y380 WeakPolarHBondContact OG-CE1 3.36Å; S6-I384 WeakPolarHBondContact OG-CD1 3.39Å |
| 7 | I | 93.2 | Very high | 89.9 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 173.4 | -62.4 | -61.3 | 0 | 0 | 0 | 110.7 | P3 S4 R9 F10 L11 I100 R377 Y380 L381 | P3-I7 WeakPolarHBondContact O-CG1 3.26Å; P3-I7 PolarHBondContact O-N 3.44Å; S4-I7 PolarHBondContact O-N 2.86Å; I7-R9 PolarHBondContact O-N 2.99Å; I7-F10 CarbonylContact O-C 3.57Å; I7-F10 WeakPolarHBondContact O-CA 3.35Å; I7-F10 WeakPolarHBondContact O-CB 3.15Å; I7-F10 PolarHBondContact O-N 2.66Å; I7-L11 HydrophobicContact CG2-CD1 4.25Å; I7-L11 HydrophobicContact CG2-CG 4.16Å; I7-L11 WeakPolarHBondContact O-CG 3.22Å; I7-L11 PolarHBondContact O-N 3.43Å; I7-I100 HydrophobicContact CD1-CD1 4.03Å; I7-I100 HydrophobicContact CG2-CD1 4.1Å; I7-R377 HydrophobicContact CD1-CB 3.96Å; I7-Y380 HydrophobicContact CD1-CD1 3.51Å; I7-Y380 HydrophobicContact CD1-CE1 3.96Å; I7-Y380 HydrophobicContact CD1-CG 4.36Å; I7-L381 HydrophobicContact CD1-CD2 4.42Å; I7-L381 HydrophobicContact CD1-CG 4.36Å |
| 8 | E | 93.7 | Very high | 90.2 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.7 | -39.8 | -178.5 | -173.3 | 55.3 | -141.5 | 0 | 0 | 113.1 | S4 D5 F10 L11 T12 R15 | S4-E8 PolarHBondContact O-N 3.23Å; D5-E8 PolarHBondContact O-N 3.37Å; E8-F10 PolarHBondContact O-N 2.95Å; E8-L11 PolarHBondContact O-N 3.49Å; E8-T12 WeakPolarHBondContact O-CB 3.36Å; E8-T12 PolarHBondContact O-N 2.92Å; E8-T12 PolarHBondContact O-OG1 3.22Å; E8-R15 IonicContact OE1-CZ 3.93Å; E8-R15 IonicContact OE1-NH1 2.7Å; E8-R15 PolarHBondContact OE1-NH1 3.33Å; E8-R15 IonicContact OE1-NH2 2.67Å |
| 9 | R | 93.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 45.9 Ų | 45.9 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -40.2 | 171.1 | -82.5 | -174.1 | -67.8 | -74.9 | -2.8 | 111.3 | M1 D5 I7 T12 Y13 F31 E119 | M1-R9 VanDerWaalsContact CE-NH1 3.26Å; M1-R9 PolarHBondContact SD-NH2 2.58Å; D5-R9 VanDerWaalsContact O-CZ 3.27Å; D5-R9 PolarHBondContact O-N 3.2Å; D5-R9 VanDerWaalsContact O-N 3.08Å; D5-R9 PolarHBondContact O-NH1 2.93Å; I7-R9 PolarHBondContact O-N 2.99Å; R9-T12 PolarHBondContact O-N 3.17Å; R9-Y13 PolarHBondContact O-N 2.98Å; R9-F31 HydrophobicContact CB-CZ 4.35Å; R9-F31 WeakPolarHBondContact O-CZ 3.33Å; R9-E119 IonicContact CZ-OE1 4Å; R9-E119 IonicContact NE-OE1 2.65Å; R9-E119 PolarHBondContact NE-OE1 3.23Å; R9-E119 VanDerWaalsContact NH2-CD 3.33Å; R9-E119 IonicContact NH2-OE1 3.13Å; R9-E119 PolarHBondContact NH2-OE1 3.45Å; R9-E119 IonicContact NH2-OE2 3.69Å; R9-E119 PolarHBondContact NH2-OE2 3.09Å |
| 10 | F | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 177.5 | 171.3 | -138.1 | 0 | 0 | 0 | 112.3 | S6 I7 E8 T12 Y13 L14 I100 T105 S110 L115 Y380 | S6-F10 WeakPolarHBondContact O-CB 3.09Å; S6-F10 PolarHBondContact O-N 2.97Å; S6-F10 VanDerWaalsContact O-N 3.13Å; I7-F10 CarbonylContact O-C 3.57Å; I7-F10 WeakPolarHBondContact O-CA 3.35Å; I7-F10 WeakPolarHBondContact O-CB 3.15Å; I7-F10 PolarHBondContact O-N 2.66Å; E8-F10 PolarHBondContact O-N 2.95Å; F10-T12 VanDerWaalsContact C-N 3.28Å; F10-T12 PolarHBondContact O-N 3.28Å; F10-Y13 PolarHBondContact O-N 3.21Å; F10-Y13 VanDerWaalsContact O-N 3.16Å; F10-L14 HydrophobicContact CD2-CD1 4.42Å; F10-L14 HydrophobicContact CD2-CG 4.14Å; F10-L14 HydrophobicContact CE1-CD1 4.4Å; F10-L14 HydrophobicContact CE2-CD1 3.46Å; F10-L14 VanDerWaalsContact CE2-CD1 3.46Å; F10-L14 HydrophobicContact CE2-CD2 3.63Å; F10-L14 HydrophobicContact CE2-CG 3.32Å; F10-L14 HydrophobicContact CZ-CD1 3.42Å; F10-L14 VanDerWaalsContact CZ-CD1 3.42Å; F10-L14 HydrophobicContact CZ-CD2 4.18Å; F10-L14 HydrophobicContact CZ-CG 3.87Å; F10-L14 PolarHBondContact O-N 2.84Å; F10-L14 VanDerWaalsContact O-N 3.13Å; F10-I100 HydrophobicContact CD1-CD1 3.77Å; F10-I100 HydrophobicContact CD1-CG2 4.49Å; F10-I100 HydrophobicContact CE1-CB 4.03Å; F10-I100 HydrophobicContact CE1-CD1 3.54Å; F10-I100 HydrophobicContact CE1-CG1 4.35Å; F10-I100 HydrophobicContact CE1-CG2 3.6Å; F10-I100 HydrophobicContact CZ-CG2 3.79Å; F10-T105 HydrophobicContact CZ-CG2 3.94Å; F10-S110 VanDerWaalsContact CE2-CA 3.41Å; F10-L115 VanDerWaalsContact CA-CD1 3.43Å; F10-L115 HydrophobicContact CB-CD1 3.96Å; F10-L115 HydrophobicContact CD2-CD1 4.33Å; F10-Y380 HydrophobicContact CB-CE1 4.37Å; F10-Y380 HydrophobicContact CB-CE2 4.19Å; F10-Y380 HydrophobicContact CD1-CD1 4.5Å; F10-Y380 AromaticContact CD1-CD2 3.92Å; F10-Y380 HydrophobicContact CD1-CD2 3.92Å; F10-Y380 HydrophobicContact CD1-CE1 4.43Å; F10-Y380 AromaticContact CD1-CE2 3.85Å; F10-Y380 HydrophobicContact CD1-CE2 3.85Å; F10-Y380 HydrophobicContact CD1-CG 4.26Å; F10-Y380 HydrophobicContact CD2-CE2 4.45Å; F10-Y380 HydrophobicContact CE1-CD2 4.26Å; F10-Y380 HydrophobicContact CG-CD2 4.39Å; F10-Y380 AromaticContact CG-CE2 3.87Å; F10-Y380 HydrophobicContact CG-CE2 3.87Å |
| 11 | L | 94.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 174.1 | -58.8 | -174.1 | 0 | 0 | 0 | 111.8 | I7 E8 Y13 L14 R15 G92 I100 | I7-L11 HydrophobicContact CG2-CD1 4.25Å; I7-L11 HydrophobicContact CG2-CG 4.16Å; I7-L11 WeakPolarHBondContact O-CG 3.22Å; I7-L11 PolarHBondContact O-N 3.43Å; E8-L11 PolarHBondContact O-N 3.49Å; L11-Y13 VanDerWaalsContact C-N 3.33Å; L11-Y13 PolarHBondContact O-N 2.97Å; L11-L14 PolarHBondContact O-N 3.31Å; L11-R15 WeakPolarHBondContact O-CG 3.46Å; L11-R15 PolarHBondContact O-N 3.24Å; L11-G92 WeakPolarHBondContact CD2-O 3.47Å; L11-I100 HydrophobicContact CD2-CB 4.47Å; L11-I100 HydrophobicContact CD2-CD1 4.29Å; L11-I100 HydrophobicContact CD2-CG1 4.25Å; L11-I100 HydrophobicContact CD2-CG2 3.44Å; L11-I100 VanDerWaalsContact CD2-CG2 3.44Å |
| 12 | T | 94.2 | Very high | 92.3 | Very high | 47 Ų | 47 | 47 Ų | 47 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.7 | -60 | 0 | 0 | 0 | 0 | 111.7 | E8 R9 F10 R15 F31 | E8-T12 WeakPolarHBondContact O-CB 3.36Å; E8-T12 PolarHBondContact O-N 2.92Å; E8-T12 PolarHBondContact O-OG1 3.22Å; R9-T12 PolarHBondContact O-N 3.17Å; F10-T12 VanDerWaalsContact C-N 3.28Å; F10-T12 PolarHBondContact O-N 3.28Å; T12-R15 WeakPolarHBondContact O-CB 3.42Å; T12-R15 PolarHBondContact O-N 3.5Å; T12-F31 HydrophobicContact CG2-CD2 3.97Å; T12-F31 HydrophobicContact CG2-CE2 3.63Å; T12-F31 HydrophobicContact CG2-CZ 4.39Å |
| 13 | Y | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 179.7 | -169.1 | -150.1 | 0 | 0 | 0 | 112.9 | R9 F10 L11 R15 I16 A28 F31 L32 K109 L115 | R9-Y13 PolarHBondContact O-N 2.98Å; F10-Y13 PolarHBondContact O-N 3.21Å; F10-Y13 VanDerWaalsContact O-N 3.16Å; L11-Y13 VanDerWaalsContact C-N 3.33Å; L11-Y13 PolarHBondContact O-N 2.97Å; Y13-R15 PolarHBondContact O-N 3.4Å; Y13-I16 HydrophobicContact CD2-CD1 4.13Å; Y13-I16 PolarHBondContact O-N 2.94Å; Y13-I16 VanDerWaalsContact O-N 3.17Å; Y13-A28 HydrophobicContact CE2-CB 4.22Å; Y13-F31 AromaticContact CD2-CD1 3.73Å; Y13-F31 HydrophobicContact CD2-CD1 3.73Å; Y13-F31 AromaticContact CD2-CE1 3.92Å; Y13-F31 HydrophobicContact CD2-CE1 3.92Å; Y13-F31 HydrophobicContact CE2-CD1 4.45Å; Y13-F31 HydrophobicContact CG-CD1 4.1Å; Y13-F31 AromaticContact CG-CE1 3.78Å; Y13-F31 HydrophobicContact CG-CE1 3.78Å; Y13-L32 HydrophobicContact CE1-CD2 4.46Å; Y13-L32 HydrophobicContact CE2-CD1 4.45Å; Y13-L32 HydrophobicContact CE2-CG 4.42Å; Y13-K109 HydrophobicContact CD1-CB 3.81Å; Y13-K109 HydrophobicContact CD1-CG 4.22Å; Y13-K109 HydrophobicContact CE1-CB 3.74Å; Y13-K109 HydrophobicContact CE1-CD 4.46Å; Y13-K109 HydrophobicContact CE1-CG 3.82Å; Y13-L115 HydrophobicContact CD1-CD1 3.99Å; Y13-L115 HydrophobicContact CD1-CG 4.14Å; Y13-L115 HydrophobicContact CG-CD1 4.32Å |
| 14 | L | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.5 | -31.8 | 174.3 | -71.4 | 179 | 0 | 0 | 0 | 112.8 | F10 L11 I16 I100 T105 K109 | F10-L14 HydrophobicContact CD2-CD1 4.42Å; F10-L14 HydrophobicContact CD2-CG 4.14Å; F10-L14 HydrophobicContact CE1-CD1 4.4Å; F10-L14 HydrophobicContact CE2-CD1 3.46Å; F10-L14 VanDerWaalsContact CE2-CD1 3.46Å; F10-L14 HydrophobicContact CE2-CD2 3.63Å; F10-L14 HydrophobicContact CE2-CG 3.32Å; F10-L14 HydrophobicContact CZ-CD1 3.42Å; F10-L14 VanDerWaalsContact CZ-CD1 3.42Å; F10-L14 HydrophobicContact CZ-CD2 4.18Å; F10-L14 HydrophobicContact CZ-CG 3.87Å; F10-L14 PolarHBondContact O-N 2.84Å; F10-L14 VanDerWaalsContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.31Å; L14-I16 PolarHBondContact O-N 3.34Å; L14-I100 HydrophobicContact CD1-CG2 3.76Å; L14-T105 HydrophobicContact CD1-CG2 3.81Å; L14-T105 HydrophobicContact CD2-CG2 4.1Å; L14-K109 HydrophobicContact CD2-CB 4.12Å; L14-K109 HydrophobicContact CD2-CD 4.35Å |
| 15 | R | 95.5 | Very high | 94.3 | Very high | 111 Ų | 111 | 43 Ų | 43 | 42% | 0.419 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.5 | -18.1 | 179.6 | -64.3 | 164.7 | -167.6 | 146.2 | 0.4 | 113.5 | E8 L11 T12 Y13 R17 F90 S91 | E8-R15 IonicContact OE1-CZ 3.93Å; E8-R15 IonicContact OE1-NH1 2.7Å; E8-R15 PolarHBondContact OE1-NH1 3.33Å; E8-R15 IonicContact OE1-NH2 2.67Å; L11-R15 WeakPolarHBondContact O-CG 3.46Å; L11-R15 PolarHBondContact O-N 3.24Å; T12-R15 WeakPolarHBondContact O-CB 3.42Å; T12-R15 PolarHBondContact O-N 3.5Å; Y13-R15 PolarHBondContact O-N 3.4Å; R15-R17 PolarHBondContact O-N 2.95Å; R15-F90 VanDerWaalsContact CA-O 3.26Å; R15-F90 WeakPolarHBondContact CA-O 3.39Å; R15-S91 PolarHBondContact NE-O 3.36Å |
| 16 | I | 95.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -76.1 | 121.6 | 175.8 | -55 | -175 | 0 | 0 | 0 | 108.8 | Y13 L14 T18 A27 A28 F31 K109 | Y13-I16 HydrophobicContact CD2-CD1 4.13Å; Y13-I16 PolarHBondContact O-N 2.94Å; Y13-I16 VanDerWaalsContact O-N 3.17Å; L14-I16 PolarHBondContact O-N 3.34Å; I16-T18 HydrophobicContact CG2-CG2 4.09Å; I16-T18 PolarHBondContact O-N 2.88Å; I16-T18 VanDerWaalsContact O-N 3.14Å; I16-A27 HydrophobicContact CG2-CB 3.74Å; I16-A28 HydrophobicContact CG2-CB 4.27Å; I16-F31 HydrophobicContact CD1-CB 3.42Å; I16-F31 VanDerWaalsContact CD1-CB 3.42Å; I16-F31 HydrophobicContact CD1-CD1 4.09Å; I16-F31 HydrophobicContact CD1-CD2 4.49Å; I16-F31 HydrophobicContact CD1-CG 3.75Å; I16-K109 PolarHBondContact O-NZ 3.28Å |
| 17 | R | 95.5 | Very high | 94.7 | Very high | 121 Ų | 121 | 43 Ų | 43 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | trans | -78.9 | 94.7 | -175.9 | -66.3 | -65.7 | -61.4 | -101.3 | -0.9 | 111.3 | R15 D19 D24 F90 | R15-R17 PolarHBondContact O-N 2.95Å; R17-D19 IonicContact CZ-OD1 3.79Å; R17-D19 IonicContact CZ-OD2 3.66Å; R17-D19 IonicContact NE-OD1 2.73Å; R17-D19 PolarHBondContact NE-OD1 2.91Å; R17-D19 IonicContact NE-OD2 2.7Å; R17-D19 IonicContact NH2-OD1 3.32Å; R17-D19 PolarHBondContact NH2-OD1 2.98Å; R17-D19 IonicContact NH2-OD2 3.9Å; R17-D19 PolarHBondContact NH2-OD2 3.39Å; R17-D24 WeakPolarHBondContact O-CB 3.43Å; R17-D24 PolarHBondContact O-N 2.92Å; R17-F90 VanDerWaalsContact CZ-CD2 3.43Å; R17-F90 VanDerWaalsContact CZ-CE2 3.46Å; R17-F90 VanDerWaalsContact NE-CD2 3.33Å | ||
| 18 | T | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -113.3 | 23.7 | 175.4 | 66.4 | 0 | 0 | 0 | 0 | 112.2 | I16 P23 A28 M75 D76 V77 K109 | I16-T18 HydrophobicContact CG2-CG2 4.09Å; I16-T18 PolarHBondContact O-N 2.88Å; I16-T18 VanDerWaalsContact O-N 3.14Å; T18-P23 WeakPolarHBondContact O-CB 3.47Å; T18-P23 WeakPolarHBondContact O-CG 3.45Å; T18-A28 HydrophobicContact CG2-CB 3.88Å; T18-M75 VanDerWaalsContact CB-O 3.27Å; T18-M75 WeakPolarHBondContact CB-O 3.47Å; T18-M75 PolarHBondContact OG1-O 2.89Å; T18-D76 VanDerWaalsContact O-CA 3.31Å; T18-D76 WeakPolarHBondContact O-CA 3.33Å; T18-V77 PolarHBondContact O-N 2.82Å; T18-K109 WeakPolarHBondContact OG1-CE 3.44Å; T18-K109 PolarHBondContact OG1-NZ 2.83Å | ||
| 19 | D | 95.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 38.8 Ų | 38.8 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -72.8 | 139.6 | 176.5 | 49.5 | -53.6 | 0 | 0 | 0 | 112.3 | R17 A22 V77 F90 | R17-D19 IonicContact CZ-OD1 3.79Å; R17-D19 IonicContact CZ-OD2 3.66Å; R17-D19 IonicContact NE-OD1 2.73Å; R17-D19 PolarHBondContact NE-OD1 2.91Å; R17-D19 IonicContact NE-OD2 2.7Å; R17-D19 IonicContact NH2-OD1 3.32Å; R17-D19 PolarHBondContact NH2-OD1 2.98Å; R17-D19 IonicContact NH2-OD2 3.9Å; R17-D19 PolarHBondContact NH2-OD2 3.39Å; D19-A22 CarbonylContact O-C 3.46Å; D19-A22 PolarHBondContact O-N 3.42Å; D19-V77 WeakPolarHBondContact CA-O 3.32Å; D19-V77 HydrophobicContact CB-CG2 3.88Å; D19-F90 HydrophobicContact CB-CE1 3.96Å; D19-F90 HydrophobicContact CB-CZ 3.58Å; D19-F90 WeakPolarHBondContact OD1-CZ 3.33Å |
| 20 | Q | 93.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 149.1 | 172.1 | -66.2 | -68.1 | -9.5 | 0 | 0 | 110.7 | D76 V77 P79 E144 I145 | Q20-D76 PolarHBondContact NE2-OD2 3.33Å; Q20-V77 PolarHBondContact N-O 3.27Å; Q20-P79 HydrophobicContact CB-CG 4.18Å; Q20-E144 HydrophobicContact CG-CB 4.44Å; Q20-I145 HydrophobicContact CG-CG2 3.99Å |
| 21 | P | 92.3 | Very high | 95.2 | Very high | 124 Ų | 124 | 45.1 Ų | 45.1 | 81% | 0.805 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93 | 0 | 7.7 | 36.9 | -37.1 | 0 | 0 | 0 | 115.2 | P23 | P21-P23 VanDerWaalsContact C-CD 3.47Š|
| 22 | A | 94 | Very high | 95.2 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 69% | 0.694 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -128.5 | 66.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D19 D24 | D19-A22 CarbonylContact O-C 3.46Å; D19-A22 PolarHBondContact O-N 3.42Å; A22-D24 PolarHBondContact O-N 3.3Å |
| 23 | P | 95.6 | Very high | 95.3 | Very high | 19 Ų | 19 | 43 Ų | 43 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | trans | -61 | 132.1 | 179.4 | -24.6 | 37 | 0 | 0 | 0 | 112.4 | T18 P21 Y25 D76 | T18-P23 WeakPolarHBondContact O-CB 3.47Å; T18-P23 WeakPolarHBondContact O-CG 3.45Å; P21-P23 VanDerWaalsContact C-CD 3.47Å; P23-Y25 HydrophobicContact CB-CD1 4.08Å; P23-Y25 HydrophobicContact CB-CD2 4.15Å; P23-Y25 HydrophobicContact CB-CE1 3.67Å; P23-Y25 HydrophobicContact CB-CE2 3.78Å; P23-Y25 HydrophobicContact CB-CG 4.31Å; P23-Y25 HydrophobicContact CG-CE1 4.28Å; P23-Y25 HydrophobicContact CG-CE2 4.06Å; P23-Y25 PolarHBondContact O-N 2.94Å; P23-D76 HydrophobicContact CB-CB 4.36Å; P23-D76 HydrophobicContact CG-CB 4Å | ||
| 24 | D | 96.4 | Very high | 95.3 | Very high | 81 Ų | 81 | 46.1 Ų | 46.1 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | trans | -77.7 | 73.8 | 170.5 | -168.7 | -9.3 | 0 | 0 | 0 | 111 | R17 A22 G26 A27 A28 | R17-D24 WeakPolarHBondContact O-CB 3.43Å; R17-D24 PolarHBondContact O-N 2.92Å; A22-D24 PolarHBondContact O-N 3.3Å; D24-G26 PolarHBondContact O-N 3.19Å; D24-G26 PolarHBondContact OD1-N 3.31Å; D24-A27 HydrophobicContact CB-CB 4.43Å; D24-A27 VanDerWaalsContact CG-CB 3.49Å; D24-A27 PolarHBondContact OD1-N 2.94Å; D24-A27 WeakPolarHBondContact OD2-CB 3.26Å; D24-A28 PolarHBondContact O-N 3.26Å | ||
| 25 | Y | 96.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -26.2 | 174.8 | -62.1 | -57.7 | 0 | 0 | 0 | 112.2 | P23 A28 I29 G51 K52 M75 D76 P141 D142 | P23-Y25 HydrophobicContact CB-CD1 4.08Å; P23-Y25 HydrophobicContact CB-CD2 4.15Å; P23-Y25 HydrophobicContact CB-CE1 3.67Å; P23-Y25 HydrophobicContact CB-CE2 3.78Å; P23-Y25 HydrophobicContact CB-CG 4.31Å; P23-Y25 HydrophobicContact CG-CE1 4.28Å; P23-Y25 HydrophobicContact CG-CE2 4.06Å; P23-Y25 PolarHBondContact O-N 2.94Å; Y25-A28 PolarHBondContact O-N 3.26Å; Y25-I29 WeakPolarHBondContact O-CB 3.21Å; Y25-I29 WeakPolarHBondContact O-CG1 3.48Å; Y25-I29 PolarHBondContact O-N 3.03Å; Y25-G51 WeakPolarHBondContact CD2-O 3.17Å; Y25-K52 HydrophobicContact CE2-CG 4.18Å; Y25-M75 HydrophobicContact CD1-CB 4.07Å; Y25-M75 HydrophobicContact CD1-CE 3.87Å; Y25-M75 HydrophobicContact CD1-SD 4.48Å; Y25-M75 HydrophobicContact CE1-CB 4.15Å; Y25-M75 HydrophobicContact CE1-CE 4.49Å; Y25-D76 HydrophobicContact CE1-CB 3.89Å; Y25-D76 WeakPolarHBondContact OH-CB 3.41Å; Y25-P141 HydrophobicContact CD1-CB 4.04Å; Y25-P141 HydrophobicContact CD2-CB 4.28Å; Y25-P141 HydrophobicContact CE1-CB 3.53Å; Y25-P141 HydrophobicContact CE2-CB 3.79Å; Y25-P141 HydrophobicContact CG-CB 4.38Å; Y25-D142 PolarHBondContact OH-N 2.65Å; Y25-D142 VanDerWaalsContact OH-N 3.09Å |
| 26 | G | 96.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -54.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | D24 A28 I29 E30 | D24-G26 PolarHBondContact O-N 3.19Å; D24-G26 PolarHBondContact OD1-N 3.31Å; G26-A28 VanDerWaalsContact C-N 3.31Å; G26-A28 PolarHBondContact O-N 3.26Å; G26-I29 PolarHBondContact O-N 2.98Å; G26-E30 PolarHBondContact O-N 3.3Å |
| 27 | A | 96 | Very high | 95.3 | Very high | 29 Ų | 29 | 47 Ų | 47 | 24% | 0.24 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | I16 D24 E30 F31 | I16-A27 HydrophobicContact CG2-CB 3.74Å; D24-A27 HydrophobicContact CB-CB 4.43Å; D24-A27 VanDerWaalsContact CG-CB 3.49Å; D24-A27 PolarHBondContact OD1-N 2.94Å; D24-A27 WeakPolarHBondContact OD2-CB 3.26Å; A27-E30 PolarHBondContact O-N 3.33Å; A27-F31 WeakPolarHBondContact O-CB 3.47Å; A27-F31 PolarHBondContact O-N 3.26Å |
| 28 | A | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y13 I16 T18 D24 Y25 G26 E30 F31 L32 M75 | Y13-A28 HydrophobicContact CE2-CB 4.22Å; I16-A28 HydrophobicContact CG2-CB 4.27Å; T18-A28 HydrophobicContact CG2-CB 3.88Å; D24-A28 PolarHBondContact O-N 3.26Å; Y25-A28 PolarHBondContact O-N 3.26Å; G26-A28 VanDerWaalsContact C-N 3.31Å; G26-A28 PolarHBondContact O-N 3.26Å; A28-E30 PolarHBondContact O-N 3.24Å; A28-F31 PolarHBondContact O-N 2.64Å; A28-L32 VanDerWaalsContact O-CB 3.29Å; A28-L32 WeakPolarHBondContact O-CB 3.44Å; A28-L32 WeakPolarHBondContact O-CD1 3.29Å; A28-L32 WeakPolarHBondContact O-CG 3.36Å; A28-L32 PolarHBondContact O-N 3.24Å; A28-M75 HydrophobicContact CB-SD 3.97Å |
| 29 | I | 95.6 | Very high | 95.2 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.6 | -69 | -72.6 | 0 | 0 | 0 | 111.2 | Y25 G26 S33 T45 P53 I55 M75 | Y25-I29 WeakPolarHBondContact O-CB 3.21Å; Y25-I29 WeakPolarHBondContact O-CG1 3.48Å; Y25-I29 PolarHBondContact O-N 3.03Å; G26-I29 PolarHBondContact O-N 2.98Å; I29-S33 WeakPolarHBondContact O-CB 3.48Å; I29-S33 PolarHBondContact O-N 3.31Å; I29-S33 PolarHBondContact O-OG 3.22Å; I29-T45 HydrophobicContact CG2-CG2 4.28Å; I29-P53 HydrophobicContact CD1-CB 4.37Å; I29-P53 HydrophobicContact CD1-CG 4.42Å; I29-P53 HydrophobicContact CG1-CB 4.16Å; I29-P53 HydrophobicContact CG1-CG 3.78Å; I29-I55 HydrophobicContact CD1-CB 3.61Å; I29-I55 HydrophobicContact CD1-CG2 3.52Å; I29-M75 HydrophobicContact CD1-CE 3.96Å; I29-M75 HydrophobicContact CD1-SD 3.88Å; I29-M75 HydrophobicContact CG1-CE 4.38Å; I29-M75 HydrophobicContact CG1-SD 4.18Å |
| 30 | E | 96.6 | Very high | 95.2 | Very high | 147 Ų | 147 | 50.1 Ų | 50.1 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.4 | -50.4 | 178.2 | -176.1 | 176 | -177.7 | 0 | 0 | 111.3 | G26 A27 A28 S33 S34 | G26-E30 PolarHBondContact O-N 3.3Å; A27-E30 PolarHBondContact O-N 3.33Å; A28-E30 PolarHBondContact O-N 3.24Å; E30-S33 PolarHBondContact O-N 3.35Å; E30-S34 PolarHBondContact O-N 2.79Å |
| 31 | F | 95.7 | Very high | 95.3 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 12% | 0.118 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -51.8 | 176.8 | 170.3 | -101.3 | 0 | 0 | 0 | 111.7 | R9 T12 Y13 I16 A27 A28 S33 S34 V35 L115 | R9-F31 HydrophobicContact CB-CZ 4.35Å; R9-F31 WeakPolarHBondContact O-CZ 3.33Å; T12-F31 HydrophobicContact CG2-CD2 3.97Å; T12-F31 HydrophobicContact CG2-CE2 3.63Å; T12-F31 HydrophobicContact CG2-CZ 4.39Å; Y13-F31 AromaticContact CD2-CD1 3.73Å; Y13-F31 HydrophobicContact CD2-CD1 3.73Å; Y13-F31 AromaticContact CD2-CE1 3.92Å; Y13-F31 HydrophobicContact CD2-CE1 3.92Å; Y13-F31 HydrophobicContact CE2-CD1 4.45Å; Y13-F31 HydrophobicContact CG-CD1 4.1Å; Y13-F31 AromaticContact CG-CE1 3.78Å; Y13-F31 HydrophobicContact CG-CE1 3.78Å; I16-F31 HydrophobicContact CD1-CB 3.42Å; I16-F31 VanDerWaalsContact CD1-CB 3.42Å; I16-F31 HydrophobicContact CD1-CD1 4.09Å; I16-F31 HydrophobicContact CD1-CD2 4.49Å; I16-F31 HydrophobicContact CD1-CG 3.75Å; A27-F31 WeakPolarHBondContact O-CB 3.47Å; A27-F31 PolarHBondContact O-N 3.26Å; A28-F31 PolarHBondContact O-N 2.64Å; F31-S33 VanDerWaalsContact C-N 3.33Å; F31-S33 PolarHBondContact O-N 3Å; F31-S34 WeakPolarHBondContact O-CB 3.4Å; F31-S34 PolarHBondContact O-N 3.45Å; F31-S34 VanDerWaalsContact O-N 3.09Å; F31-S34 PolarHBondContact O-OG 3.44Å; F31-V35 HydrophobicContact CE1-CG2 4.2Å; F31-V35 HydrophobicContact CE2-CG2 4.02Å; F31-V35 HydrophobicContact CZ-CG2 3.85Å; F31-V35 PolarHBondContact O-N 3.39Å; F31-V35 VanDerWaalsContact O-N 3.09Å; F31-L115 HydrophobicContact CE1-CD2 4.15Å; F31-L115 HydrophobicContact CZ-CD2 4.48Å |
| 32 | L | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -42.2 | -179.9 | -71.1 | 170.4 | 0 | 0 | 0 | 111.6 | Y13 A28 S34 V35 G36 I55 M57 M75 L118 F139 | Y13-L32 HydrophobicContact CE1-CD2 4.46Å; Y13-L32 HydrophobicContact CE2-CD1 4.45Å; Y13-L32 HydrophobicContact CE2-CG 4.42Å; A28-L32 VanDerWaalsContact O-CB 3.29Å; A28-L32 WeakPolarHBondContact O-CB 3.44Å; A28-L32 WeakPolarHBondContact O-CD1 3.29Å; A28-L32 WeakPolarHBondContact O-CG 3.36Å; A28-L32 PolarHBondContact O-N 3.24Å; L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3.36Å; L32-V35 PolarHBondContact O-N 2.94Å; L32-G36 PolarHBondContact O-N 2.64Å; L32-I55 HydrophobicContact CB-CG2 4.43Å; L32-I55 HydrophobicContact CD1-CG2 4.31Å; L32-M57 VanDerWaalsContact C-CE 3.44Å; L32-M57 HydrophobicContact CB-CE 3.75Å; L32-M57 WeakPolarHBondContact O-CE 3.42Å; L32-M75 HydrophobicContact CD1-CG 4.26Å; L32-M75 HydrophobicContact CD1-SD 4.02Å; L32-L118 HydrophobicContact CD2-CD1 4.25Å; L32-F139 HydrophobicContact CD1-CB 3.9Å; L32-F139 HydrophobicContact CD1-CD1 3.51Å; L32-F139 HydrophobicContact CD1-CD2 4.17Å; L32-F139 HydrophobicContact CD1-CE1 3.93Å; L32-F139 HydrophobicContact CD1-CG 3.62Å; L32-F139 HydrophobicContact CD1-CZ 4.48Å; L32-F139 HydrophobicContact CD2-CD1 4Å; L32-F139 HydrophobicContact CD2-CE1 3.5Å; L32-F139 VanDerWaalsContact CD2-CE1 3.5Å; L32-F139 HydrophobicContact CD2-CE2 4.24Å; L32-F139 HydrophobicContact CD2-CZ 3.67Å; L32-F139 HydrophobicContact CG-CD1 4.4Å; L32-F139 HydrophobicContact CG-CE1 4.36Å |
| 33 | S | 95.1 | Very high | 95.6 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 174.8 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | I29 E30 F31 G36 K37 I55 | I29-S33 WeakPolarHBondContact O-CB 3.48Å; I29-S33 PolarHBondContact O-N 3.31Å; I29-S33 PolarHBondContact O-OG 3.22Å; E30-S33 PolarHBondContact O-N 3.35Å; F31-S33 VanDerWaalsContact C-N 3.33Å; F31-S33 PolarHBondContact O-N 3Å; S33-G36 PolarHBondContact O-N 3.39Å; S33-K37 WeakPolarHBondContact O-CB 3.14Å; S33-K37 VanDerWaalsContact O-CG 3.22Å; S33-K37 WeakPolarHBondContact O-CG 3.29Å; S33-K37 PolarHBondContact O-N 2.69Å; S33-I55 WeakPolarHBondContact OG-CD1 3.27Å |
| 34 | S | 95.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 46% | 0.462 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 178.3 | 80.4 | 0 | 0 | 0 | 0 | 111.6 | E30 F31 L32 A38 | E30-S34 PolarHBondContact O-N 2.79Å; F31-S34 WeakPolarHBondContact O-CB 3.4Å; F31-S34 PolarHBondContact O-N 3.45Å; F31-S34 VanDerWaalsContact O-N 3.09Å; F31-S34 PolarHBondContact O-OG 3.44Å; L32-S34 VanDerWaalsContact C-N 3.3Å; L32-S34 PolarHBondContact O-N 3.36Å; S34-A38 WeakPolarHBondContact O-CB 3.46Å; S34-A38 PolarHBondContact O-N 2.99Å |
| 35 | V | 94.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | F31 L32 K37 A38 F39 L118 | F31-V35 HydrophobicContact CE1-CG2 4.2Å; F31-V35 HydrophobicContact CE2-CG2 4.02Å; F31-V35 HydrophobicContact CZ-CG2 3.85Å; F31-V35 PolarHBondContact O-N 3.39Å; F31-V35 VanDerWaalsContact O-N 3.09Å; L32-V35 PolarHBondContact O-N 2.94Å; V35-K37 PolarHBondContact O-N 2.99Å; V35-A38 PolarHBondContact O-N 3.48Å; V35-F39 HydrophobicContact CG1-CD2 4Å; V35-F39 HydrophobicContact CG1-CE1 4.45Å; V35-F39 HydrophobicContact CG1-CE2 3.63Å; V35-F39 HydrophobicContact CG1-CZ 3.89Å; V35-F39 WeakPolarHBondContact O-CG 3.08Å; V35-F39 PolarHBondContact O-N 3.31Å; V35-L118 HydrophobicContact CG1-CB 4.5Å; V35-L118 HydrophobicContact CG1-CD1 4.06Å |
| 36 | G | 94.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L32 S33 F39 D40 L41 | L32-G36 PolarHBondContact O-N 2.64Å; S33-G36 PolarHBondContact O-N 3.39Å; G36-F39 CarbonylContact O-C 3.43Å; G36-F39 PolarHBondContact O-N 3.42Å; G36-D40 PolarHBondContact O-N 3.39Å; G36-L41 WeakPolarHBondContact O-CB 3.44Å; G36-L41 PolarHBondContact O-N 3.3Å |
| 37 | K | 95.7 | Very high | 95.8 | Very high | 147 Ų | 147 | 51.1 Ų | 51.1 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 174.9 | -72.3 | 171.4 | -175.9 | 175.5 | 0 | 112.3 | S33 V35 F39 D40 | S33-K37 WeakPolarHBondContact O-CB 3.14Å; S33-K37 VanDerWaalsContact O-CG 3.22Å; S33-K37 WeakPolarHBondContact O-CG 3.29Å; S33-K37 PolarHBondContact O-N 2.69Å; V35-K37 PolarHBondContact O-N 2.99Å; K37-F39 PolarHBondContact O-N 2.82Å; K37-D40 WeakPolarHBondContact O-CA 3.38Å; K37-D40 PolarHBondContact O-N 2.9Å |
| 38 | A | 95 | Very high | 95.8 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62 | -28 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S34 V35 D40 | S34-A38 WeakPolarHBondContact O-CB 3.46Å; S34-A38 PolarHBondContact O-N 2.99Å; V35-A38 PolarHBondContact O-N 3.48Å; A38-D40 VanDerWaalsContact C-N 3.29Å |
| 39 | F | 94.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.2 | 174 | -63.1 | -7.5 | 0 | 0 | 0 | 113.2 | M1 V35 G36 K37 L41 L118 H122 K125 | M1-F39 HydrophobicContact CE-CE1 3.7Å; M1-F39 HydrophobicContact CE-CZ 4Å; M1-F39 HydrophobicContact SD-CE1 4.4Å; M1-F39 HydrophobicContact SD-CZ 4.37Å; V35-F39 HydrophobicContact CG1-CD2 4Å; V35-F39 HydrophobicContact CG1-CE1 4.45Å; V35-F39 HydrophobicContact CG1-CE2 3.63Å; V35-F39 HydrophobicContact CG1-CZ 3.89Å; V35-F39 WeakPolarHBondContact O-CG 3.08Å; V35-F39 PolarHBondContact O-N 3.31Å; G36-F39 CarbonylContact O-C 3.43Å; G36-F39 PolarHBondContact O-N 3.42Å; K37-F39 PolarHBondContact O-N 2.82Å; F39-L41 VanDerWaalsContact C-N 3.35Å; F39-L41 HydrophobicContact CB-CD1 4.42Å; F39-L41 HydrophobicContact CB-CG 4.26Å; F39-L41 PolarHBondContact O-N 3.09Å; F39-L118 HydrophobicContact CD2-CB 4.08Å; F39-L118 WeakPolarHBondContact CD2-O 3.46Å; F39-L118 HydrophobicContact CE2-CB 3.95Å; F39-H122 HydrophobicContact CB-CB 4.35Å; F39-H122 HydrophobicContact CD1-CB 4.19Å; F39-H122 AromaticContact CD1-CE1 3.89Å; F39-H122 AromaticContact CD1-CG 3.71Å; F39-H122 AromaticContact CD1-ND1 3.47Å; F39-H122 WeakPolarHBondContact CD1-ND1 2.77Å; F39-H122 HydrophobicContact CD2-CB 3.62Å; F39-H122 HydrophobicContact CE1-CB 4.4Å; F39-H122 AromaticContact CE1-CG 3.92Å; F39-H122 HydrophobicContact CE2-CB 3.82Å; F39-H122 HydrophobicContact CG-CB 3.81Å; F39-H122 AromaticContact CG-CG 3.8Å; F39-H122 AromaticContact CG-ND1 3.65Å; F39-H122 HydrophobicContact CZ-CB 4.22Å; F39-K125 PolarHBondContact O-NZ 3.23Å |
| 40 | D | 94.8 | Very high | 95.7 | Very high | 122 Ų | 122 | 59.3 Ų | 59.3 | 65% | 0.652 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 50 | 179.6 | 178.4 | 48.9 | 0 | 0 | 0 | 111.3 | G36 K37 A38 K125 | G36-D40 PolarHBondContact O-N 3.39Å; K37-D40 WeakPolarHBondContact O-CA 3.38Å; K37-D40 PolarHBondContact O-N 2.9Å; A38-D40 VanDerWaalsContact C-N 3.29Å; D40-K125 PolarHBondContact O-NZ 2.87Å; D40-K125 IonicContact OD2-NZ 3.19Å; D40-K125 PolarHBondContact OD2-NZ 3.28Å |
| 41 | L | 95.5 | Very high | 95.6 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | trans | -101.4 | 141.8 | 171.2 | -59.7 | 177.5 | 0 | 0 | 0 | 110.1 | G36 F39 C43 M57 L59 L118 I121 | G36-L41 WeakPolarHBondContact O-CB 3.44Å; G36-L41 PolarHBondContact O-N 3.3Å; F39-L41 VanDerWaalsContact C-N 3.35Å; F39-L41 HydrophobicContact CB-CD1 4.42Å; F39-L41 HydrophobicContact CB-CG 4.26Å; F39-L41 PolarHBondContact O-N 3.09Å; L41-C43 PolarHBondContact O-N 3.09Å; L41-C43 PolarHBondContact O-SG 3.5Å; L41-M57 HydrophobicContact CB-CB 4.31Å; L41-M57 HydrophobicContact CD1-CB 4.21Å; L41-M57 HydrophobicContact CD1-SD 4.45Å; L41-L59 HydrophobicContact CD2-CB 3.95Å; L41-L59 HydrophobicContact CD2-CD1 4.45Å; L41-L118 HydrophobicContact CD1-CD2 3.74Å; L41-I121 HydrophobicContact CD1-CG2 4.39Å; L41-I121 HydrophobicContact CD2-CG2 3.83Å | ||
| 42 | A | 96.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 55 Ų | 55 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 117.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | M57 T58 | A42-M57 CarbonylContact O-C 3.51Å; A42-M57 VanDerWaalsContact O-CA 3.26Å; A42-M57 WeakPolarHBondContact O-CA 3.33Å; A42-T58 PolarHBondContact N-O 3.41Å; A42-T58 PolarHBondContact O-N 3.4Å |
| 43 | C | 96.8 | Very high | 95.7 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.8 | -175.6 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | L41 I55 | L41-C43 PolarHBondContact O-N 3.09Å; L41-C43 PolarHBondContact O-SG 3.5Å; C43-I55 HydrophobicContact CB-CD1 4.27Å |
| 44 | Q | 96.9 | Very high | 95.7 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.9 | 174.8 | -178.8 | -179.4 | 0.9 | 0 | 0 | 110.1 | V46 I55 V56 | Q44-V46 HydrophobicContact CG-CG2 4.31Å; Q44-I55 WeakPolarHBondContact O-CA 3.35Å; Q44-V56 PolarHBondContact N-O 3.02Å; Q44-V56 PolarHBondContact O-N 2.81Å |
| 45 | T | 97.1 | Very high | 95.7 | Very high | 75 Ų | 75 | 52 Ų | 52 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.5 | 169.7 | -53.4 | 0 | 0 | 0 | 0 | 109.7 | I29 P53 A54 | I29-T45 HydrophobicContact CG2-CG2 4.28Å; T45-P53 HydrophobicContact CG2-CB 3.96Å; T45-A54 CarbonylContact C-O 3.5Å; T45-A54 WeakPolarHBondContact CA-O 3.39Å; T45-A54 WeakPolarHBondContact CG2-O 3.16Å |
| 46 | V | 97.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.1 | 177.7 | -179 | 0 | 0 | 0 | 0 | 108.1 | Q44 I48 P53 A54 L154 M157 E159 | Q44-V46 HydrophobicContact CG-CG2 4.31Å; V46-I48 PolarHBondContact O-N 2.77Å; V46-P53 CarbonylContact O-C 3.43Å; V46-P53 WeakPolarHBondContact O-CA 3.3Å; V46-A54 PolarHBondContact N-O 3.21Å; V46-A54 PolarHBondContact O-N 3.39Å; V46-L154 HydrophobicContact CG1-CD1 4.08Å; V46-M157 HydrophobicContact CG1-SD 4.12Å; V46-E159 HydrophobicContact CG1-CB 4.39Å; V46-E159 HydrophobicContact CG1-CG 4Å; V46-E159 HydrophobicContact CG2-CB 4.36Å; V46-E159 HydrophobicContact CG2-CG 4.09Å |
| 47 | L | 97.4 | Very high | 96 | Very high | 111 Ų | 111 | 52.1 Ų | 52.1 | 58% | 0.581 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 109.1 | 175.8 | -174.2 | 65.2 | 0 | 0 | 0 | 109.3 | A49 P53 | L47-A49 WeakPolarHBondContact CD1-O 3.44Å; L47-P53 HydrophobicContact CD1-CB 4.5Å |
| 48 | I | 96.2 | Very high | 96 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -47 | -176.4 | -62.1 | 171.5 | 0 | 0 | 0 | 110.9 | V46 K52 A54 P141 E149 A153 L154 M157 | V46-I48 PolarHBondContact O-N 2.77Å; I48-K52 WeakPolarHBondContact CB-O 3.46Å; I48-K52 PolarHBondContact N-O 3.35Å; I48-A54 HydrophobicContact CD1-CB 3.59Å; I48-A54 HydrophobicContact CG1-CB 4.2Å; I48-P141 HydrophobicContact CD1-CG 4.18Å; I48-E149 WeakPolarHBondContact CG2-O 3.07Å; I48-A153 HydrophobicContact CG2-CB 3.47Å; I48-A153 VanDerWaalsContact CG2-CB 3.47Å; I48-L154 HydrophobicContact CD1-CB 3.91Å; I48-L154 HydrophobicContact CD1-CD2 4.35Å; I48-L154 HydrophobicContact CD1-CG 4.5Å; I48-L154 HydrophobicContact CG1-CB 4.38Å; I48-L154 HydrophobicContact CG1-CD1 4.48Å; I48-M157 HydrophobicContact CB-CE 4.35Å; I48-M157 HydrophobicContact CG2-CE 4.03Å |
| 49 | A | 95 | Very high | 96.1 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L47 G51 K52 E149 | L47-A49 WeakPolarHBondContact CD1-O 3.44Å; A49-G51 PolarHBondContact O-N 3.45Å; A49-G51 VanDerWaalsContact O-N 3.12Å; A49-K52 HydrophobicContact CB-CB 4.2Å; A49-K52 HydrophobicContact CB-CD 4.36Å; A49-K52 PolarHBondContact N-O 2.91Å; A49-K52 PolarHBondContact O-N 2.9Å; A49-E149 HydrophobicContact CB-CB 3.96Å; A49-E149 HydrophobicContact CB-CG 4.26Å |
| 50 | Q | 94.1 | Very high | 96.2 | Very high | 180 Ų | 180 | 48.2 Ų | 48.2 | 84% | 0.841 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 120.5 | -179.8 | -176.7 | 60.4 | 35.6 | 0 | 0 | 110.8 | K52 | Q50-K52 PolarHBondContact O-N 3.48Š|
| 51 | G | 94.1 | Very high | 96.2 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y25 A49 P53 | Y25-G51 WeakPolarHBondContact CD2-O 3.17Å; A49-G51 PolarHBondContact O-N 3.45Å; A49-G51 VanDerWaalsContact O-N 3.12Å; G51-P53 VanDerWaalsContact O-CD 3.24Å; G51-P53 WeakPolarHBondContact O-CD 3.34Å |
| 52 | K | 96 | Very high | 96.3 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 15% | 0.148 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 74.3 | -178.2 | -68.3 | -176.6 | 179.7 | 179.6 | 0 | 110.8 | Y25 I48 A49 Q50 P141 D142 E149 | Y25-K52 HydrophobicContact CE2-CG 4.18Å; I48-K52 WeakPolarHBondContact CB-O 3.46Å; I48-K52 PolarHBondContact N-O 3.35Å; A49-K52 HydrophobicContact CB-CB 4.2Å; A49-K52 HydrophobicContact CB-CD 4.36Å; A49-K52 PolarHBondContact N-O 2.91Å; A49-K52 PolarHBondContact O-N 2.9Å; Q50-K52 PolarHBondContact O-N 3.48Å; K52-P141 HydrophobicContact CB-CB 4.14Å; K52-P141 HydrophobicContact CB-CG 3.76Å; K52-P141 HydrophobicContact CG-CB 4.41Å; K52-P141 HydrophobicContact CG-CG 4.48Å; K52-D142 HydrophobicContact CD-CB 4.43Å; K52-D142 WeakPolarHBondContact CE-OD1 3.45Å; K52-D142 IonicContact NZ-OD1 3.74Å; K52-D142 PolarHBondContact NZ-OD1 3.45Å; K52-E149 HydrophobicContact CD-CB 3.69Å; K52-E149 WeakPolarHBondContact CE-OE2 3.38Å; K52-E149 IonicContact NZ-OE2 3.26Å; K52-E149 PolarHBondContact NZ-OE2 3.34Å |
| 53 | P | 96.7 | Very high | 96.2 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 13% | 0.13 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 150.6 | 172.8 | 33.2 | -35.5 | 0 | 0 | 0 | 111.4 | I29 T45 V46 L47 G51 M75 P141 | I29-P53 HydrophobicContact CD1-CB 4.37Å; I29-P53 HydrophobicContact CD1-CG 4.42Å; I29-P53 HydrophobicContact CG1-CB 4.16Å; I29-P53 HydrophobicContact CG1-CG 3.78Å; T45-P53 HydrophobicContact CG2-CB 3.96Å; V46-P53 CarbonylContact O-C 3.43Å; V46-P53 WeakPolarHBondContact O-CA 3.3Å; L47-P53 HydrophobicContact CD1-CB 4.5Å; G51-P53 VanDerWaalsContact O-CD 3.24Å; G51-P53 WeakPolarHBondContact O-CD 3.34Å; P53-M75 WeakPolarHBondContact O-CE 3.49Å; P53-P141 WeakPolarHBondContact O-CD 3.48Å |
| 54 | A | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 160 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | T45 V46 I48 F139 V140 | T45-A54 CarbonylContact C-O 3.5Å; T45-A54 WeakPolarHBondContact CA-O 3.39Å; T45-A54 WeakPolarHBondContact CG2-O 3.16Å; V46-A54 PolarHBondContact N-O 3.21Å; V46-A54 PolarHBondContact O-N 3.39Å; I48-A54 HydrophobicContact CD1-CB 3.59Å; I48-A54 HydrophobicContact CG1-CB 4.2Å; A54-F139 CarbonylContact C-O 3.57Å; A54-F139 WeakPolarHBondContact CA-O 3.32Å; A54-F139 VanDerWaalsContact CB-O 3.28Å; A54-F139 WeakPolarHBondContact CB-O 3.28Å; A54-V140 HydrophobicContact CB-CG1 4.19Å |
| 55 | I | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.3 | 171 | -179.4 | 162.4 | 0 | 0 | 0 | 110.6 | I29 L32 S33 C43 Q44 M57 C138 F139 | I29-I55 HydrophobicContact CD1-CB 3.61Å; I29-I55 HydrophobicContact CD1-CG2 3.52Å; L32-I55 HydrophobicContact CB-CG2 4.43Å; L32-I55 HydrophobicContact CD1-CG2 4.31Å; S33-I55 WeakPolarHBondContact OG-CD1 3.27Å; C43-I55 HydrophobicContact CB-CD1 4.27Å; Q44-I55 WeakPolarHBondContact O-CA 3.35Å; I55-M57 HydrophobicContact CD1-CE 3.71Å; I55-M57 HydrophobicContact CD1-CG 4.39Å; I55-M57 HydrophobicContact CG1-CE 4.08Å; I55-M57 HydrophobicContact CG1-CG 4.13Å; I55-M57 HydrophobicContact CG2-CE 4.24Å; I55-C138 CarbonylContact O-C 3.49Å; I55-C138 VanDerWaalsContact O-CA 3.32Å; I55-C138 WeakPolarHBondContact O-CA 3.32Å; I55-F139 HydrophobicContact CG2-CB 3.72Å; I55-F139 HydrophobicContact CG2-CD2 3.88Å; I55-F139 HydrophobicContact CG2-CG 4.15Å; I55-F139 PolarHBondContact N-O 2.89Å; I55-F139 PolarHBondContact O-N 2.96Å |
| 56 | V | 96.9 | Very high | 96 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.2 | 173 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | Q44 H136 I137 C138 L163 | Q44-V56 PolarHBondContact N-O 3.02Å; Q44-V56 PolarHBondContact O-N 2.81Å; V56-H136 HydrophobicContact CG1-CB 4.15Å; V56-I137 CarbonylContact C-O 3.55Å; V56-I137 WeakPolarHBondContact CA-O 3.37Å; V56-C138 HydrophobicContact CG2-CB 4.45Å; V56-L163 HydrophobicContact CG1-CD1 4.14Å; V56-L163 HydrophobicContact CG1-CD2 4.2Å |
| 57 | M | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.4 | 175 | -56.8 | -176.6 | -160.1 | 0 | 0 | 109.6 | L32 L41 A42 I55 L118 H136 I137 F139 | L32-M57 VanDerWaalsContact C-CE 3.44Å; L32-M57 HydrophobicContact CB-CE 3.75Å; L32-M57 WeakPolarHBondContact O-CE 3.42Å; L41-M57 HydrophobicContact CB-CB 4.31Å; L41-M57 HydrophobicContact CD1-CB 4.21Å; L41-M57 HydrophobicContact CD1-SD 4.45Å; A42-M57 CarbonylContact O-C 3.51Å; A42-M57 VanDerWaalsContact O-CA 3.26Å; A42-M57 WeakPolarHBondContact O-CA 3.33Å; I55-M57 HydrophobicContact CD1-CE 3.71Å; I55-M57 HydrophobicContact CD1-CG 4.39Å; I55-M57 HydrophobicContact CG1-CE 4.08Å; I55-M57 HydrophobicContact CG1-CG 4.13Å; I55-M57 HydrophobicContact CG2-CE 4.24Å; M57-L118 HydrophobicContact CE-CD1 4.39Å; M57-L118 HydrophobicContact CE-CD2 4.45Å; M57-L118 HydrophobicContact SD-CD1 4.31Å; M57-L118 HydrophobicContact SD-CD2 3.38Å; M57-L118 WeakPolarHBondContact SD-CD2 3.38Å; M57-L118 HydrophobicContact SD-CG 4.47Å; M57-H136 CarbonylContact O-C 3.58Å; M57-H136 WeakPolarHBondContact O-CA 3.48Å; M57-I137 HydrophobicContact CB-CB 4.5Å; M57-I137 PolarHBondContact N-O 3.09Å; M57-I137 PolarHBondContact O-N 2.62Å; M57-F139 HydrophobicContact CE-CD2 4.29Å; M57-F139 HydrophobicContact CE-CE2 3.96Å; M57-F139 HydrophobicContact SD-CE2 4.48Å |
| 58 | T | 96.9 | Very high | 96 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.6 | -171.3 | -57 | 0 | 0 | 0 | 0 | 111.6 | A42 T134 I135 H136 | A42-T58 PolarHBondContact N-O 3.41Å; A42-T58 PolarHBondContact O-N 3.4Å; T58-T134 HydrophobicContact CG2-CG2 3.53Å; T58-I135 WeakPolarHBondContact CA-O 3.09Å; T58-H136 VanDerWaalsContact CG2-CE1 3.45Å; T58-H136 WeakPolarHBondContact CG2-CE1 3.33Å; T58-H136 WeakPolarHBondContact CG2-ND1 3.47Å; T58-H136 PolarHBondContact OG1-ND1 2.88Å |
| 59 | L | 96.5 | Very high | 96.1 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.2 | 160.6 | 177.1 | 63.1 | 0 | 0 | 0 | 108.2 | L41 G61 I121 L131 T134 I135 | L41-L59 HydrophobicContact CD2-CB 3.95Å; L41-L59 HydrophobicContact CD2-CD1 4.45Å; L59-G61 PolarHBondContact O-N 2.81Å; L59-I121 HydrophobicContact CB-CG2 4.2Å; L59-I121 HydrophobicContact CD2-CG2 3.74Å; L59-L131 HydrophobicContact CD2-CD1 3.83Å; L59-T134 WeakPolarHBondContact O-CA 3.32Å; L59-I135 PolarHBondContact N-O 2.78Å; L59-I135 PolarHBondContact O-N 2.95Å |
| 60 | T | 96.2 | Very high | 96.1 | Very high | 95 Ų | 95 | 42.4 Ų | 42.4 | 58% | 0.583 | 25% | 0.247 | S | C | * | . | trans | -67.7 | 127.2 | -179.3 | -56.5 | 0 | 0 | 0 | 0 | 111 | P64 | T60-P64 HydrophobicContact CG2-CG 3.89Š| ||
| 61 | G | 95.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | trans | -82 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L59 D63 L131 T134 | L59-G61 PolarHBondContact O-N 2.81Å; G61-D63 VanDerWaalsContact C-N 3.26Å; G61-D63 PolarHBondContact O-N 3.12Å; G61-L131 CarbonylContact C-O 3.49Å; G61-L131 WeakPolarHBondContact CA-O 3.27Å; G61-T134 PolarHBondContact N-OG1 3.02Å; G61-T134 VanDerWaalsContact N-OG1 3.16Å | ||
| 62 | Q | 96.4 | Very high | 96.2 | Very high | 130 Ų | 130 | 31.7 Ų | 31.7 | 61% | 0.607 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -67.4 | -26.7 | -179.9 | -65.7 | -68.8 | 32.2 | 0 | 0 | 114 | L131 K132 | Q62-L131 PolarHBondContact N-O 2.78Å; Q62-K132 PolarHBondContact N-O 2.88Å |
| 63 | D | 95.9 | Very high | 96 | Very high | 64 Ų | 64 | 30 Ų | 30 | 34% | 0.342 | 18% | 0.178 | S | C | . | . | trans | -128.3 | 92.3 | 174.3 | -173.5 | -7.3 | 0 | 0 | 0 | 110.1 | G61 S65 L66 K132 | G61-D63 VanDerWaalsContact C-N 3.26Å; G61-D63 PolarHBondContact O-N 3.12Å; D63-S65 PolarHBondContact O-N 3.42Å; D63-S65 VanDerWaalsContact OD1-CB 3.26Å; D63-S65 WeakPolarHBondContact OD1-CB 3.44Å; D63-S65 PolarHBondContact OD1-N 2.88Å; D63-S65 PolarHBondContact OD1-OG 2.82Å; D63-S65 PolarHBondContact OD2-OG 3.39Å; D63-L66 HydrophobicContact CB-CD1 3.9Å; D63-L66 HydrophobicContact CB-CG 3.94Å; D63-L66 WeakPolarHBondContact O-CB 3.46Å; D63-L66 PolarHBondContact O-N 3.42Å; D63-K132 PolarHBondContact N-O 2.79Å | ||
| 64 | P | 94.5 | Very high | 95.8 | Very high | 77 Ų | 77 | 29.1 Ų | 29.1 | 50% | 0.5 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.7 | 177.1 | -22.8 | 34.8 | 0 | 0 | 0 | 114.5 | T60 L66 | T60-P64 HydrophobicContact CG2-CG 3.89Å; P64-L66 VanDerWaalsContact C-N 3.27Å |
| 65 | S | 95.4 | Very high | 95.7 | Very high | 88 Ų | 88 | 29.1 Ų | 29.1 | 62% | 0.615 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -22.9 | 176 | 79 | 0 | 0 | 0 | 0 | 112.2 | D63 N164 | D63-S65 PolarHBondContact O-N 3.42Å; D63-S65 VanDerWaalsContact OD1-CB 3.26Å; D63-S65 WeakPolarHBondContact OD1-CB 3.44Å; D63-S65 PolarHBondContact OD1-N 2.88Å; D63-S65 PolarHBondContact OD1-OG 2.82Å; D63-S65 PolarHBondContact OD2-OG 3.39Å; S65-N164 PolarHBondContact O-ND2 3.41Å; S65-N164 VanDerWaalsContact O-ND2 3.09Å |
| 66 | L | 96.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -69.3 | 142.1 | 177 | -70.3 | -177.3 | 0 | 0 | 0 | 111.5 | D63 P64 S68 K132 R133 N164 A399 | D63-L66 HydrophobicContact CB-CD1 3.9Å; D63-L66 HydrophobicContact CB-CG 3.94Å; D63-L66 WeakPolarHBondContact O-CB 3.46Å; D63-L66 PolarHBondContact O-N 3.42Å; P64-L66 VanDerWaalsContact C-N 3.27Å; L66-S68 PolarHBondContact O-N 2.83Å; L66-K132 HydrophobicContact CD1-CB 4.32Å; L66-R133 HydrophobicContact CB-CG 3.99Å; L66-R133 HydrophobicContact CD1-CG 4.03Å; L66-N164 PolarHBondContact O-ND2 3.32Å; L66-A399 HydrophobicContact CD2-CB 3.77Å |
| 67 | P | 96.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 34% | 0.344 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -52.4 | 127.5 | 172.4 | -28.3 | 32.2 | 0 | 0 | 0 | 112.1 | R133 N164 | P67-R133 WeakPolarHBondContact O-CD 3.48Å; P67-R133 PolarHBondContact O-NH1 2.91Å; P67-N164 CarbonylContact C-O 3.58Å; P67-N164 VanDerWaalsContact CA-O 3.27Å; P67-N164 WeakPolarHBondContact CA-O 3.47Å |
| 68 | S | 97.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 163.6 | -172 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | L66 T134 H136 L163 N164 V165 G166 I167 | L66-S68 PolarHBondContact O-N 2.83Å; S68-T134 WeakPolarHBondContact CA-O 3.48Å; S68-T134 VanDerWaalsContact CB-O 3.29Å; S68-T134 WeakPolarHBondContact CB-O 3.47Å; S68-H136 PolarHBondContact OG-CD2 3.42Å; S68-H136 VanDerWaalsContact OG-CD2 3.31Å; S68-L163 WeakPolarHBondContact CB-O 3.23Å; S68-L163 PolarHBondContact OG-O 2.94Å; S68-N164 PolarHBondContact N-O 3.45Å; S68-N164 PolarHBondContact OG-O 3.3Å; S68-V165 WeakPolarHBondContact OG-CA 3.26Å; S68-G166 PolarHBondContact O-N 3.17Å; S68-I167 PolarHBondContact O-N 3.14Å |
| 69 | V | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.4 | 169.8 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | L71 T134 I135 H136 I167 W326 L394 | V69-L71 HydrophobicContact CG1-CD2 3.86Å; V69-L71 HydrophobicContact CG1-CG 4.3Å; V69-T134 PolarHBondContact N-O 3.13Å; V69-I135 HydrophobicContact CB-CG1 4.25Å; V69-I135 CarbonylContact O-C 3.57Å; V69-I135 WeakPolarHBondContact O-CA 3.38Å; V69-H136 PolarHBondContact O-N 3.32Å; V69-I167 HydrophobicContact CB-CG2 4.23Å; V69-I167 HydrophobicContact CG1-CG2 4.18Å; V69-I167 HydrophobicContact CG2-CG2 3.9Å; V69-W326 HydrophobicContact CG2-CH2 4.41Å; V69-W326 HydrophobicContact CG2-CZ3 4.31Å; V69-L394 HydrophobicContact CG1-CB 4.36Å; V69-L394 HydrophobicContact CG1-CD1 4.37Å; V69-L394 HydrophobicContact CG2-CB 4.02Å |
| 70 | F | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.6 | 177.4 | -169.2 | -92.5 | 0 | 0 | 0 | 109.9 | N72 H136 C138 M151 F160 L163 V165 I167 C168 L169 Y348 | F70-N72 HydrophobicContact CD1-CB 4.29Å; F70-N72 HydrophobicContact CE1-CB 3.99Å; F70-H136 CarbonylContact C-O 3.54Å; F70-H136 WeakPolarHBondContact CA-O 3.2Å; F70-H136 HydrophobicContact CD2-CB 3.86Å; F70-H136 HydrophobicContact CE2-CB 4.41Å; F70-C138 HydrophobicContact CE1-CB 3.77Å; F70-C138 HydrophobicContact CE2-CB 3.64Å; F70-C138 HydrophobicContact CZ-CB 3.12Å; F70-M151 HydrophobicContact CE1-CE 4.46Å; F70-M151 HydrophobicContact CE1-SD 4.38Å; F70-M151 HydrophobicContact CZ-CE 4.3Å; F70-M151 HydrophobicContact CZ-SD 4.45Å; F70-F160 HydrophobicContact CD2-CE2 4.24Å; F70-F160 HydrophobicContact CE1-CE2 4.21Å; F70-F160 HydrophobicContact CE2-CD2 4.21Å; F70-F160 AromaticContact CE2-CE2 3.84Å; F70-F160 HydrophobicContact CE2-CE2 3.84Å; F70-F160 HydrophobicContact CZ-CD2 4.27Å; F70-F160 AromaticContact CZ-CE2 3.79Å; F70-F160 HydrophobicContact CZ-CE2 3.79Å; F70-L163 HydrophobicContact CD2-CD1 4.04Å; F70-L163 HydrophobicContact CE2-CD1 3.62Å; F70-V165 HydrophobicContact CB-CB 4.32Å; F70-V165 HydrophobicContact CB-CG1 3.42Å; F70-V165 VanDerWaalsContact CB-CG1 3.42Å; F70-V165 HydrophobicContact CB-CG2 3.9Å; F70-V165 HydrophobicContact CD2-CG2 3.84Å; F70-V165 HydrophobicContact CG-CG1 4.26Å; F70-V165 HydrophobicContact CG-CG2 4.11Å; F70-I167 PolarHBondContact N-O 2.99Å; F70-C168 CarbonylContact O-C 3.5Å; F70-C168 VanDerWaalsContact O-CA 3.24Å; F70-C168 WeakPolarHBondContact O-CA 3.38Å; F70-L169 PolarHBondContact O-N 3.4Å; F70-Y348 AromaticContact CD1-CE1 3.9Å; F70-Y348 HydrophobicContact CD1-CE1 3.9Å; F70-Y348 AromaticContact CE1-CE1 3.7Å; F70-Y348 HydrophobicContact CE1-CE1 3.7Å; F70-Y348 AromaticContact CE1-CZ 4Å |
| 71 | L | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 102.8 | -173.5 | -64.5 | -173.9 | 0 | 0 | 0 | 107 | V69 Y117 I121 I135 H136 I137 C138 L169 I391 | V69-L71 HydrophobicContact CG1-CD2 3.86Å; V69-L71 HydrophobicContact CG1-CG 4.3Å; L71-Y117 HydrophobicContact CB-CD2 3.6Å; L71-Y117 HydrophobicContact CB-CE2 3.42Å; L71-Y117 VanDerWaalsContact CB-CE2 3.42Å; L71-Y117 HydrophobicContact CB-CG 4.26Å; L71-Y117 HydrophobicContact CD1-CD1 4.11Å; L71-Y117 HydrophobicContact CD1-CD2 4.22Å; L71-Y117 HydrophobicContact CD1-CE1 4.26Å; L71-Y117 HydrophobicContact CD1-CE2 4.39Å; L71-Y117 HydrophobicContact CD1-CG 4.03Å; L71-Y117 HydrophobicContact CD2-CE1 4.11Å; L71-Y117 HydrophobicContact CD2-CE2 4.15Å; L71-Y117 HydrophobicContact CG-CD2 4.4Å; L71-Y117 HydrophobicContact CG-CE2 4.18Å; L71-I121 HydrophobicContact CD1-CD1 4.35Å; L71-I135 HydrophobicContact CD1-CG2 3.57Å; L71-I135 HydrophobicContact CG-CG2 3.99Å; L71-H136 WeakPolarHBondContact CB-O 3.33Å; L71-H136 PolarHBondContact N-O 3.18Å; L71-I137 HydrophobicContact CB-CG1 4.13Å; L71-I137 HydrophobicContact CD1-CG1 3.98Å; L71-I137 CarbonylContact O-C 3.47Å; L71-I137 WeakPolarHBondContact O-CA 3.39Å; L71-C138 PolarHBondContact O-N 2.84Å; L71-L169 HydrophobicContact CD2-CB 3.89Å; L71-L169 HydrophobicContact CD2-CD1 3.79Å; L71-L169 HydrophobicContact CD2-CG 4.02Å; L71-I391 HydrophobicContact CD1-CD1 3.65Å; L71-I391 HydrophobicContact CD1-CG1 3.97Å; L71-I391 HydrophobicContact CD2-CG1 4.41Å |
| 72 | N | 93.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 146.6 | -172.5 | -173.5 | 48.5 | 0 | 0 | 0 | 112.3 | F70 Q113 C138 L169 D170 Y348 | F70-N72 HydrophobicContact CD1-CB 4.29Å; F70-N72 HydrophobicContact CE1-CB 3.99Å; N72-Q113 WeakPolarHBondContact O-CB 3.43Å; N72-Q113 PolarHBondContact O-NE2 3.13Å; N72-Q113 PolarHBondContact O-OE1 3.47Å; N72-C138 CarbonylContact C-O 3.53Å; N72-L169 PolarHBondContact N-O 3.11Å; N72-D170 PolarHBondContact ND2-OD1 3.04Å; N72-Y348 WeakPolarHBondContact CB-OH 3.29Å; N72-Y348 PolarHBondContact ND2-OH 2.83Å; N72-Y348 VanDerWaalsContact ND2-OH 3.1Å; N72-Y348 PolarHBondContact OD1-OH 2.81Å |
| 73 | S | 92.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 145.6 | 165.8 | -164.5 | 0 | 0 | 0 | 0 | 109.2 | M108 S114 C138 F139 V140 | S73-M108 VanDerWaalsContact CA-SD 3.55Å; S73-M108 WeakPolarHBondContact OG-CE 3.39Å; S73-M108 WeakPolarHBondContact OG-CG 3.21Å; S73-M108 PolarHBondContact OG-SD 3.35Å; S73-S114 PolarHBondContact OG-N 2.83Å; S73-S114 PolarHBondContact OG-OG 2.92Å; S73-C138 PolarHBondContact N-O 3.19Å; S73-F139 CarbonylContact O-C 3.58Å; S73-F139 WeakPolarHBondContact O-CA 3.26Å; S73-V140 WeakPolarHBondContact O-CG2 3.15Å; S73-V140 PolarHBondContact O-N 3.1Å |
| 74 | H | 93.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 157.2 | 167 | 67.9 | 91 | 0 | 0 | 0 | 111.6 | D76 D107 M108 V140 E143 E144 E171 | H74-D76 PolarHBondContact CE1-O 3.28Å; H74-D76 PolarHBondContact ND1-O 2.82Å; H74-D76 IonicContact ND1-OD1 3.59Å; H74-D107 IonicContact CE1-OD1 2.86Å; H74-D107 IonicContact NE2-OD1 3.53Å; H74-D107 PolarHBondContact NE2-OD1 3.17Å; H74-M108 HydrophobicContact CB-SD 4.41Å; H74-M108 PolarHBondContact CD2-SD 3.03Å; H74-M108 PolarHBondContact N-SD 3.36Å; H74-M108 VanDerWaalsContact NE2-CG 3.33Å; H74-M108 WeakPolarHBondContact NE2-CG 3.33Å; H74-M108 PolarHBondContact NE2-SD 3.27Å; H74-M108 VanDerWaalsContact NE2-SD 3.44Å; H74-V140 CarbonylContact C-O 3.57Å; H74-V140 WeakPolarHBondContact CA-O 3.2Å; H74-V140 HydrophobicContact CB-CG2 4.06Å; H74-E143 HydrophobicContact CB-CB 3.34Å; H74-E143 HydrophobicContact CB-CG 3.98Å; H74-E143 VanDerWaalsContact CG-CB 3.41Å; H74-E144 IonicContact CE1-OE1 3.65Å; H74-E171 IonicContact CD2-OE2 3.88Å; H74-E171 IonicContact NE2-OE2 3.1Å |
| 75 | M | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -99.1 | -34.3 | -178.3 | -66.3 | -178.1 | -75.5 | 0 | 0 | 112.7 | T18 Y25 A28 I29 L32 P53 F139 V140 P141 | T18-M75 VanDerWaalsContact CB-O 3.27Å; T18-M75 WeakPolarHBondContact CB-O 3.47Å; T18-M75 PolarHBondContact OG1-O 2.89Å; Y25-M75 HydrophobicContact CD1-CB 4.07Å; Y25-M75 HydrophobicContact CD1-CE 3.87Å; Y25-M75 HydrophobicContact CD1-SD 4.48Å; Y25-M75 HydrophobicContact CE1-CB 4.15Å; Y25-M75 HydrophobicContact CE1-CE 4.49Å; A28-M75 HydrophobicContact CB-SD 3.97Å; I29-M75 HydrophobicContact CD1-CE 3.96Å; I29-M75 HydrophobicContact CD1-SD 3.88Å; I29-M75 HydrophobicContact CG1-CE 4.38Å; I29-M75 HydrophobicContact CG1-SD 4.18Å; L32-M75 HydrophobicContact CD1-CG 4.26Å; L32-M75 HydrophobicContact CD1-SD 4.02Å; P53-M75 WeakPolarHBondContact O-CE 3.49Å; M75-F139 HydrophobicContact CG-CB 3.82Å; M75-F139 HydrophobicContact SD-CB 4.1Å; M75-V140 PolarHBondContact N-O 2.63Å; M75-P141 HydrophobicContact CE-CB 4.45Å | ||
| 76 | D | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -72 | 154.7 | -179.5 | 54.7 | -48 | 0 | 0 | 0 | 112 | T18 Q20 P23 Y25 H74 D142 E143 E144 | T18-D76 VanDerWaalsContact O-CA 3.31Å; T18-D76 WeakPolarHBondContact O-CA 3.33Å; Q20-D76 PolarHBondContact NE2-OD2 3.33Å; P23-D76 HydrophobicContact CB-CB 4.36Å; P23-D76 HydrophobicContact CG-CB 4Å; Y25-D76 HydrophobicContact CE1-CB 3.89Å; Y25-D76 WeakPolarHBondContact OH-CB 3.41Å; H74-D76 PolarHBondContact CE1-O 3.28Å; H74-D76 PolarHBondContact ND1-O 2.82Å; H74-D76 IonicContact ND1-OD1 3.59Å; D76-D142 PolarHBondContact OD1-N 2.79Å; D76-D142 VanDerWaalsContact OD1-N 3.1Å; D76-D142 WeakPolarHBondContact OD2-CA 3.47Å; D76-E143 PolarHBondContact OD1-N 3.26Å; D76-E143 PolarHBondContact OD2-N 2.94Å; D76-E144 WeakPolarHBondContact OD2-CB 3.27Å; D76-E144 PolarHBondContact OD2-N 3.41Å; D76-E144 VanDerWaalsContact OD2-N 3.1Å | ||
| 77 | V | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -131.9 | 152.2 | 175.4 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | T18 D19 Q20 F90 R103 K109 | T18-V77 PolarHBondContact O-N 2.82Å; D19-V77 WeakPolarHBondContact CA-O 3.32Å; D19-V77 HydrophobicContact CB-CG2 3.88Å; Q20-V77 PolarHBondContact N-O 3.27Å; V77-F90 HydrophobicContact CG2-CE1 4.34Å; V77-R103 HydrophobicContact CB-CG 3.83Å; V77-R103 HydrophobicContact CG1-CG 4.48Å; V77-R103 HydrophobicContact CG2-CG 3.6Å; V77-K109 HydrophobicContact CG1-CD 4.24Å; V77-K109 HydrophobicContact CG1-CG 4.11Å |
| 78 | V | 92.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 15% | 0.145 | 20% | 0.203 | C | C | . | . | trans | -57.7 | 158 | 169.2 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | R103 E144 H369 | V78-R103 PolarHBondContact O-NE 3.43Å; V78-E144 HydrophobicContact CG1-CB 4.33Å; V78-E144 VanDerWaalsContact CG1-CD 3.49Å; V78-E144 HydrophobicContact CG1-CG 4.36Å; V78-E144 WeakPolarHBondContact CG1-OE2 3.43Å; V78-E144 PolarHBondContact N-OE1 2.73Å; V78-H369 HydrophobicContact CG2-CB 3.92Å | ||
| 79 | P | 92.8 | Very high | 94.4 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 38% | 0.377 | 20% | 0.202 | S | C | . | . | trans | -55.9 | 153.2 | 175.2 | -22.8 | 33.8 | 0 | 0 | 0 | 112.9 | Q20 R103 | Q20-P79 HydrophobicContact CB-CG 4.18Å; P79-R103 PolarHBondContact O-NE 3.08Å; P79-R103 PolarHBondContact O-NH2 3.21Å | ||
| 80 | A | 93.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 12% | 0.116 | 21% | 0.205 | C | C | . | . | trans | -120 | 142.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P82 W85 P89 F90 R103 | A80-P82 WeakPolarHBondContact O-CD 3.36Å; A80-W85 HydrophobicContact CB-CZ2 4.21Å; A80-P89 HydrophobicContact CB-CB 3.6Å; A80-P89 HydrophobicContact CB-CG 3.71Å; A80-F90 HydrophobicContact CB-CE2 4.02Å; A80-F90 HydrophobicContact CB-CZ 4Å; A80-R103 HydrophobicContact CB-CB 4.29Å; A80-R103 HydrophobicContact CB-CG 4.45Å | ||
| 81 | F | 92.3 | Very high | 94.3 | Very high | 112 Ų | 112 | 42.7 Ų | 42.7 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | trans | -108 | 92.1 | 179.4 | -63.7 | -80.3 | 0 | 0 | 0 | 108.4 | E83 F84 | F81-E83 PolarHBondContact O-N 3.42Å; F81-F84 HydrophobicContact CB-CD2 3.69Å; F81-F84 HydrophobicContact CB-CE2 4.2Å; F81-F84 PolarHBondContact O-N 2.69Å | ||
| 82 | P | 94 | Very high | 94.1 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 49% | 0.494 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -53.2 | -29 | -167.2 | -27.5 | 36.3 | 0 | 0 | 0 | 114.9 | A80 F84 W85 P89 | A80-P82 WeakPolarHBondContact O-CD 3.36Å; P82-F84 PolarHBondContact O-N 3.27Å; P82-W85 PolarHBondContact O-N 3.39Å; P82-W85 VanDerWaalsContact O-N 3.09Å; P82-P89 HydrophobicContact CB-CG 4.48Å; P82-P89 HydrophobicContact CG-CG 4.23Å |
| 83 | E | 94.7 | Very high | 94.2 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 62% | 0.621 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -60.7 | -23 | 178.5 | 63.2 | -89.8 | -149.7 | 0 | 0 | 114.6 | F81 | F81-E83 PolarHBondContact O-N 3.42Š|
| 84 | F | 94.6 | Very high | 94.3 | Very high | 121 Ų | 121 | 49.9 Ų | 49.9 | 53% | 0.531 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -99.1 | -0.2 | 178.1 | -59.4 | -63.3 | 0 | 0 | 0 | 113.4 | F81 P82 H371 N372 | F81-F84 HydrophobicContact CB-CD2 3.69Å; F81-F84 HydrophobicContact CB-CE2 4.2Å; F81-F84 PolarHBondContact O-N 2.69Å; P82-F84 PolarHBondContact O-N 3.27Å; F84-H371 HydrophobicContact CB-CB 4.24Å; F84-H371 AromaticContact CD2-CE1 3.65Å; F84-H371 AromaticContact CD2-NE2 3.63Å; F84-H371 AromaticContact CG-CE1 3.99Å; F84-H371 AromaticContact CG-NE2 3.73Å; F84-N372 PolarHBondContact O-ND2 3.47Å |
| 85 | W | 96.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 8% | 0.076 | 26% | 0.262 | C | S | . | . | trans | -98.8 | 143.2 | 179.6 | -68.5 | 64.6 | 0 | 0 | 0 | 111.4 | A80 P82 C87 P89 R103 H371 N372 E373 | A80-W85 HydrophobicContact CB-CZ2 4.21Å; P82-W85 PolarHBondContact O-N 3.39Å; P82-W85 VanDerWaalsContact O-N 3.09Å; W85-C87 WeakPolarHBondContact CB-O 3.25Å; W85-C87 PolarHBondContact O-N 3.22Å; W85-P89 HydrophobicContact CD2-CB 3.69Å; W85-P89 HydrophobicContact CD2-CG 4.37Å; W85-P89 HydrophobicContact CE3-CB 3.89Å; W85-P89 HydrophobicContact CG-CB 4.22Å; W85-P89 HydrophobicContact CG-CG 4.41Å; W85-P89 HydrophobicContact CH2-CB 4.15Å; W85-P89 HydrophobicContact CZ2-CB 3.97Å; W85-P89 HydrophobicContact CZ3-CB 4.12Å; W85-R103 HydrophobicContact CH2-CB 4.09Å; W85-R103 HydrophobicContact CZ2-CB 4.28Å; W85-H371 AromaticContact CD1-ND1 3.99Å; W85-H371 AromaticContact NE1-ND1 3.61Å; W85-N372 WeakPolarHBondContact CA-OD1 3.36Å; W85-E373 HydrophobicContact CH2-CB 3.63Å; W85-E373 HydrophobicContact CZ3-CB 4.2Å | ||
| 86 | K | 94 | Very high | 94.4 | Very high | 168 Ų | 168 | 63.1 Ų | 63.1 | 73% | 0.73 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -69.7 | -23.4 | 174.3 | -67.6 | 170.5 | -175.8 | 179.4 | 0 | 112.7 | N372 | K86-N372 WeakPolarHBondContact CB-OD1 3.48Å; K86-N372 VanDerWaalsContact CG-OD1 3.29Å; K86-N372 WeakPolarHBondContact CG-OD1 3.18Å; K86-N372 PolarHBondContact N-OD1 3.26Å |
| 87 | C | 94.7 | Very high | 94.5 | Very high | 26 Ų | 26 | 68.6 Ų | 68.6 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -143.4 | 163 | 178.2 | 55 | 0 | 0 | 0 | 0 | 108.6 | W85 P89 H93 Y101 | W85-C87 WeakPolarHBondContact CB-O 3.25Å; W85-C87 PolarHBondContact O-N 3.22Å; C87-P89 WeakPolarHBondContact O-CD 3.48Å; C87-H93 HydrophobicContact CB-CB 4.02Å; C87-Y101 WeakPolarHBondContact SG-CB 3.33Å |
| 88 | D | 96.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | trans | -57.3 | 123 | 177.4 | 175.7 | -9.1 | 0 | 0 | 0 | 110.2 | F90 S91 | D88-F90 PolarHBondContact O-N 3.22Å; D88-F90 PolarHBondContact OD1-N 3.47Å; D88-S91 WeakPolarHBondContact O-CB 3.47Å; D88-S91 PolarHBondContact O-N 3.25Å; D88-S91 PolarHBondContact O-OG 2.91Å | ||
| 89 | P | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20 | -177.8 | 18.9 | -31.1 | 0 | 0 | 0 | 114.6 | A80 P82 W85 C87 G102 R103 | A80-P89 HydrophobicContact CB-CB 3.6Å; A80-P89 HydrophobicContact CB-CG 3.71Å; P82-P89 HydrophobicContact CB-CG 4.48Å; P82-P89 HydrophobicContact CG-CG 4.23Å; W85-P89 HydrophobicContact CD2-CB 3.69Å; W85-P89 HydrophobicContact CD2-CG 4.37Å; W85-P89 HydrophobicContact CE3-CB 3.89Å; W85-P89 HydrophobicContact CG-CB 4.22Å; W85-P89 HydrophobicContact CG-CG 4.41Å; W85-P89 HydrophobicContact CH2-CB 4.15Å; W85-P89 HydrophobicContact CZ2-CB 3.97Å; W85-P89 HydrophobicContact CZ3-CB 4.12Å; C87-P89 WeakPolarHBondContact O-CD 3.48Å; P89-G102 CarbonylContact O-C 3.57Å; P89-G102 WeakPolarHBondContact O-CA 3.24Å; P89-R103 HydrophobicContact CB-CB 4.28Å; P89-R103 PolarHBondContact O-N 2.88Å |
| 90 | F | 95.6 | Very high | 94.8 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 13.3 | -179.6 | -54.3 | -79.9 | 0 | 0 | 0 | 112.9 | R15 R17 D19 V77 A80 D88 R103 | R15-F90 VanDerWaalsContact CA-O 3.26Å; R15-F90 WeakPolarHBondContact CA-O 3.39Å; R17-F90 VanDerWaalsContact CZ-CD2 3.43Å; R17-F90 VanDerWaalsContact CZ-CE2 3.46Å; R17-F90 VanDerWaalsContact NE-CD2 3.33Å; D19-F90 HydrophobicContact CB-CE1 3.96Å; D19-F90 HydrophobicContact CB-CZ 3.58Å; D19-F90 WeakPolarHBondContact OD1-CZ 3.33Å; V77-F90 HydrophobicContact CG2-CE1 4.34Å; A80-F90 HydrophobicContact CB-CE2 4.02Å; A80-F90 HydrophobicContact CB-CZ 4Å; D88-F90 PolarHBondContact O-N 3.22Å; D88-F90 PolarHBondContact OD1-N 3.47Å; F90-R103 HydrophobicContact CE1-CB 3.96Å; F90-R103 HydrophobicContact CE1-CG 4.16Å; F90-R103 HydrophobicContact CZ-CB 4.27Å; F90-R103 HydrophobicContact CZ-CG 4.4Å |
| 91 | S | 94.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 67.8 Ų | 67.8 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -76.5 | -26.3 | 175.9 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | R15 D88 H93 | R15-S91 PolarHBondContact NE-O 3.36Å; D88-S91 WeakPolarHBondContact O-CB 3.47Å; D88-S91 PolarHBondContact O-N 3.25Å; D88-S91 PolarHBondContact O-OG 2.91Å; S91-H93 PolarHBondContact OG-N 2.92Å |
| 92 | G | 91.8 | Very high | 95 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | trans | 62.9 | 53.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L11 L94 Y101 | L11-G92 WeakPolarHBondContact CD2-O 3.47Å; G92-L94 PolarHBondContact O-N 3.34Å; G92-Y101 CarbonylContact C-O 3.21Å; G92-Y101 WeakPolarHBondContact CA-O 3.15Å | ||
| 93 | H | 95.6 | Very high | 95 | Very high | 87 Ų | 87 | 59 Ų | 59 | 40% | 0.403 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 117.5 | -174.5 | -178.8 | 73.5 | 0 | 0 | 0 | 111.1 | C87 S91 I100 Y101 | C87-H93 HydrophobicContact CB-CB 4.02Å; S91-H93 PolarHBondContact OG-N 2.92Å; H93-I100 CarbonylContact O-C 3.53Å; H93-I100 WeakPolarHBondContact O-CA 3.37Å; H93-Y101 PolarHBondContact N-O 3.12Å; H93-Y101 VanDerWaalsContact N-O 3.1Å; H93-Y101 PolarHBondContact O-N 3.3Å |
| 94 | L | 95.3 | Very high | 94.9 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.2 | 170.7 | 174.3 | 62.6 | 0 | 0 | 0 | 109.4 | G92 K99 I100 | G92-L94 PolarHBondContact O-N 3.34Å; L94-K99 WeakPolarHBondContact CA-O 3.27Å; L94-I100 HydrophobicContact CB-CG1 4.46Å; L94-I100 HydrophobicContact CD1-CD1 4.48Å; L94-I100 HydrophobicContact CD1-CG1 3.64Å |
| 95 | D | 95.3 | Very high | 94.8 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -82.7 | 172.8 | 176.9 | 77.8 | 7.4 | 0 | 0 | 0 | 112.9 | D97 G98 K99 Y101 | D95-D97 PolarHBondContact O-N 3.02Å; D95-D97 WeakPolarHBondContact OD1-CA 3.36Å; D95-D97 WeakPolarHBondContact OD1-CB 3.46Å; D95-D97 PolarHBondContact OD1-N 3.46Å; D95-G98 PolarHBondContact O-N 3.48Å; D95-G98 VanDerWaalsContact O-N 3.12Å; D95-G98 PolarHBondContact OD1-N 2.87Å; D95-K99 PolarHBondContact N-O 2.93Å; D95-K99 PolarHBondContact OD1-N 3.08Å; D95-Y101 HydrophobicContact CB-CE2 4.05Å; D95-Y101 VanDerWaalsContact OD2-CE2 3.3Å; D95-Y101 WeakPolarHBondContact OD2-CE2 3.13Å; D95-Y101 PolarHBondContact OD2-OH 3.28Å |
| 96 | Y | 94.3 | Very high | 94.6 | Very high | 249 Ų | 249 | 46.3 Ų | 46.3 | 98% | 0.976 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -24.5 | 178.7 | -64.1 | -73.6 | 0 | 0 | 0 | 113.5 | G98 | Y96-G98 PolarHBondContact O-N 3.28Š|
| 97 | D | 95.2 | Very high | 94.4 | Very high | 115 Ų | 115 | 38.8 Ų | 38.8 | 62% | 0.615 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.7 | 176.4 | -67.5 | -27.4 | 0 | 0 | 0 | 111.8 | D95 H376 | D95-D97 PolarHBondContact O-N 3.02Å; D95-D97 WeakPolarHBondContact OD1-CA 3.36Å; D95-D97 WeakPolarHBondContact OD1-CB 3.46Å; D95-D97 PolarHBondContact OD1-N 3.46Å; D97-H376 PolarHBondContact O-NE2 3.3Å |
| 98 | G | 94.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 90 | 9.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D95 Y96 R377 | D95-G98 PolarHBondContact O-N 3.48Å; D95-G98 VanDerWaalsContact O-N 3.12Å; D95-G98 PolarHBondContact OD1-N 2.87Å; Y96-G98 PolarHBondContact O-N 3.28Å; G98-R377 WeakPolarHBondContact O-CB 3.16Å; G98-R377 PolarHBondContact O-N 2.83Å |
| 99 | K | 95.9 | Very high | 93.1 | Very high | 54 Ų | 54 | 33.4 Ų | 33.4 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130 | 174 | -61.5 | 170.1 | -176.6 | 152 | 0 | 110.1 | L94 D95 Y101 Y374 | L94-K99 WeakPolarHBondContact CA-O 3.27Å; D95-K99 PolarHBondContact N-O 2.93Å; D95-K99 PolarHBondContact OD1-N 3.08Å; K99-Y101 HydrophobicContact CB-CD2 4.35Å; K99-Y101 HydrophobicContact CB-CE2 3.73Å; K99-Y101 HydrophobicContact CD-CE2 4.49Å; K99-Y101 WeakPolarHBondContact CD-OH 3.23Å; K99-Y374 HydrophobicContact CB-CD2 3.97Å; K99-Y374 HydrophobicContact CB-CG 4.4Å; K99-Y374 HydrophobicContact CD-CD2 4.01Å; K99-Y374 HydrophobicContact CD-CE2 3.92Å; K99-Y374 HydrophobicContact CD-CG 4.49Å; K99-Y374 HydrophobicContact CG-CD2 3.83Å; K99-Y374 HydrophobicContact CG-CE2 4Å |
| 100 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108.9 | 174.8 | -59.8 | 167.2 | 0 | 0 | 0 | 107.3 | I7 F10 L11 L14 H93 L94 T105 Y374 L375 R377 | I7-I100 HydrophobicContact CD1-CD1 4.03Å; I7-I100 HydrophobicContact CG2-CD1 4.1Å; F10-I100 HydrophobicContact CD1-CD1 3.77Å; F10-I100 HydrophobicContact CD1-CG2 4.49Å; F10-I100 HydrophobicContact CE1-CB 4.03Å; F10-I100 HydrophobicContact CE1-CD1 3.54Å; F10-I100 HydrophobicContact CE1-CG1 4.35Å; F10-I100 HydrophobicContact CE1-CG2 3.6Å; F10-I100 HydrophobicContact CZ-CG2 3.79Å; L11-I100 HydrophobicContact CD2-CB 4.47Å; L11-I100 HydrophobicContact CD2-CD1 4.29Å; L11-I100 HydrophobicContact CD2-CG1 4.25Å; L11-I100 HydrophobicContact CD2-CG2 3.44Å; L11-I100 VanDerWaalsContact CD2-CG2 3.44Å; L14-I100 HydrophobicContact CD1-CG2 3.76Å; H93-I100 CarbonylContact O-C 3.53Å; H93-I100 WeakPolarHBondContact O-CA 3.37Å; L94-I100 HydrophobicContact CB-CG1 4.46Å; L94-I100 HydrophobicContact CD1-CD1 4.48Å; L94-I100 HydrophobicContact CD1-CG1 3.64Å; I100-T105 HydrophobicContact CG2-CG2 4.33Å; I100-T105 VanDerWaalsContact O-CG2 3.31Å; I100-T105 WeakPolarHBondContact O-CG2 3.15Å; I100-Y374 CarbonylContact O-C 3.58Å; I100-Y374 WeakPolarHBondContact O-CA 3.49Å; I100-Y374 WeakPolarHBondContact O-CB 3.17Å; I100-L375 WeakPolarHBondContact CB-O 3.4Å; I100-L375 PolarHBondContact N-O 3.39Å; I100-L375 PolarHBondContact O-N 2.86Å; I100-R377 HydrophobicContact CD1-CB 4.01Å |
| 101 | Y | 95.6 | Very high | 89 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 9% | 0.094 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 139.8 | 176 | -62.9 | -93.3 | 0 | 0 | 0 | 110.8 | C87 G92 H93 D95 K99 E373 Y374 | C87-Y101 WeakPolarHBondContact SG-CB 3.33Å; G92-Y101 CarbonylContact C-O 3.21Å; G92-Y101 WeakPolarHBondContact CA-O 3.15Å; H93-Y101 PolarHBondContact N-O 3.12Å; H93-Y101 VanDerWaalsContact N-O 3.1Å; H93-Y101 PolarHBondContact O-N 3.3Å; D95-Y101 HydrophobicContact CB-CE2 4.05Å; D95-Y101 VanDerWaalsContact OD2-CE2 3.3Å; D95-Y101 WeakPolarHBondContact OD2-CE2 3.13Å; D95-Y101 PolarHBondContact OD2-OH 3.28Å; K99-Y101 HydrophobicContact CB-CD2 4.35Å; K99-Y101 HydrophobicContact CB-CE2 3.73Å; K99-Y101 HydrophobicContact CD-CE2 4.49Å; K99-Y101 WeakPolarHBondContact CD-OH 3.23Å; Y101-E373 WeakPolarHBondContact CA-O 3.41Å; Y101-Y374 HydrophobicContact CD1-CD1 4.48Å; Y101-Y374 HydrophobicContact CD1-CG 4.45Å; Y101-Y374 HydrophobicContact CE1-CD1 4.01Å; Y101-Y374 HydrophobicContact CE1-CG 4.18Å |
| 102 | G | 94.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 162.9 | 151 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P89 G104 T105 E373 | P89-G102 CarbonylContact O-C 3.57Å; P89-G102 WeakPolarHBondContact O-CA 3.24Å; G102-G104 PolarHBondContact O-N 2.84Å; G102-T105 WeakPolarHBondContact O-CB 3.46Å; G102-T105 WeakPolarHBondContact O-CG2 3.27Å; G102-T105 PolarHBondContact O-N 3.33Å; G102-T105 VanDerWaalsContact O-N 3.15Å; G102-T105 PolarHBondContact O-OG1 3.37Å; G102-E373 PolarHBondContact N-O 3.45Å |
| 103 | R | 94.7 | Very high | 85.2 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 126.4 | 173.8 | 174 | 60.3 | 75.9 | -143.4 | 11.2 | 109.3 | V77 V78 P79 A80 W85 P89 F90 H369 D370 E373 | V77-R103 HydrophobicContact CB-CG 3.83Å; V77-R103 HydrophobicContact CG1-CG 4.48Å; V77-R103 HydrophobicContact CG2-CG 3.6Å; V78-R103 PolarHBondContact O-NE 3.43Å; P79-R103 PolarHBondContact O-NE 3.08Å; P79-R103 PolarHBondContact O-NH2 3.21Å; A80-R103 HydrophobicContact CB-CB 4.29Å; A80-R103 HydrophobicContact CB-CG 4.45Å; W85-R103 HydrophobicContact CH2-CB 4.09Å; W85-R103 HydrophobicContact CZ2-CB 4.28Å; P89-R103 HydrophobicContact CB-CB 4.28Å; P89-R103 PolarHBondContact O-N 2.88Å; F90-R103 HydrophobicContact CE1-CB 3.96Å; F90-R103 HydrophobicContact CE1-CG 4.16Å; F90-R103 HydrophobicContact CZ-CB 4.27Å; F90-R103 HydrophobicContact CZ-CG 4.4Å; R103-H369 VanDerWaalsContact NH1-C 3.3Å; R103-H369 PolarHBondContact NH2-O 3.18Å; R103-D370 PolarHBondContact NH1-O 3.49Å; R103-D370 PolarHBondContact NH2-O 3.21Å; R103-E373 WeakPolarHBondContact CA-OE2 3.33Å; R103-E373 WeakPolarHBondContact CD-OE2 3.32Å; R103-E373 IonicContact CZ-OE2 3.38Å; R103-E373 IonicContact NE-OE2 3.65Å; R103-E373 IonicContact NH1-OE2 3.87Å; R103-E373 PolarHBondContact NH1-OE2 3.3Å |
| 104 | G | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 20.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | G102 D107 K109 S110 S111 E373 | G102-G104 PolarHBondContact O-N 2.84Å; G104-D107 VanDerWaalsContact CA-O 3.28Å; G104-D107 WeakPolarHBondContact CA-O 3.22Å; G104-K109 CarbonylContact O-C 3.57Å; G104-K109 WeakPolarHBondContact O-CA 3.24Å; G104-K109 WeakPolarHBondContact O-CB 3.34Å; G104-K109 PolarHBondContact O-N 2.86Å; G104-S110 PolarHBondContact O-N 3.08Å; G104-S111 VanDerWaalsContact C-OG 3.28Å; G104-S111 PolarHBondContact O-OG 2.81Å; G104-E373 WeakPolarHBondContact CA-OE1 3.13Å; G104-E373 PolarHBondContact N-OE1 2.84Å; G104-E373 VanDerWaalsContact N-OE1 3.13Å; G104-E373 PolarHBondContact N-OE2 3.18Å; G104-E373 VanDerWaalsContact N-OE2 3.12Å |
| 105 | T | 92.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -82.9 | -21 | 168.1 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | F10 L14 I100 G102 S110 S111 E373 Y374 | F10-T105 HydrophobicContact CZ-CG2 3.94Å; L14-T105 HydrophobicContact CD1-CG2 3.81Å; L14-T105 HydrophobicContact CD2-CG2 4.1Å; I100-T105 HydrophobicContact CG2-CG2 4.33Å; I100-T105 VanDerWaalsContact O-CG2 3.31Å; I100-T105 WeakPolarHBondContact O-CG2 3.15Å; G102-T105 WeakPolarHBondContact O-CB 3.46Å; G102-T105 WeakPolarHBondContact O-CG2 3.27Å; G102-T105 PolarHBondContact O-N 3.33Å; G102-T105 VanDerWaalsContact O-N 3.15Å; G102-T105 PolarHBondContact O-OG1 3.37Å; T105-S110 VanDerWaalsContact CA-OG 3.24Å; T105-S110 WeakPolarHBondContact CA-OG 3.43Å; T105-S110 PolarHBondContact O-OG 3.09Å; T105-S111 WeakPolarHBondContact CA-OG 3.45Å; T105-S111 VanDerWaalsContact O-CA 3.29Å; T105-S111 WeakPolarHBondContact O-CA 3.27Å; T105-S111 WeakPolarHBondContact O-CB 3.26Å; T105-S111 PolarHBondContact O-OG 3.47Å; T105-E373 PolarHBondContact N-OE1 3.39Å; T105-E373 VanDerWaalsContact OG1-CG 3.22Å; T105-E373 WeakPolarHBondContact OG1-CG 3.35Å; T105-E373 PolarHBondContact OG1-O 3.32Å; T105-Y374 VanDerWaalsContact OG1-CA 3.32Å; T105-Y374 WeakPolarHBondContact OG1-CA 3.19Å; T105-Y374 PolarHBondContact OG1-N 3.17Å |
| 106 | Q | 91.9 | Very high | 83.5 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -114.9 | -21.5 | 169.7 | -64.1 | -159.5 | 17.8 | 0 | 0 | 114.1 | S111 P365 L368 E373 Y374 | Q106-S111 WeakPolarHBondContact CA-OG 3.44Å; Q106-S111 PolarHBondContact N-OG 3.45Å; Q106-S111 WeakPolarHBondContact O-CB 3.18Å; Q106-S111 PolarHBondContact O-OG 3.14Å; Q106-P365 PolarHBondContact NE2-O 3.49Å; Q106-P365 PolarHBondContact OE1-O 3.1Å; Q106-P365 VanDerWaalsContact OE1-O 3.12Å; Q106-L368 HydrophobicContact CB-CB 4.12Å; Q106-E373 VanDerWaalsContact CA-OE1 3.29Å; Q106-E373 WeakPolarHBondContact CA-OE1 3.23Å; Q106-E373 HydrophobicContact CB-CG 3.79Å; Q106-E373 HydrophobicContact CG-CG 3.94Å; Q106-E373 PolarHBondContact N-OE1 3.27Å; Q106-Y374 PolarHBondContact NE2-O 3.37Å |
| 107 | D | 89.2 | Confident | 83.5 | Confident | 11 Ų | 11 | 10.3 Ų | 10.3 | 6% | 0.059 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -151.6 | 100.1 | 175.6 | -166 | 25.3 | 0 | 0 | 0 | 116.3 | H74 G104 S111 L368 H369 E373 | H74-D107 IonicContact CE1-OD1 2.86Å; H74-D107 IonicContact NE2-OD1 3.53Å; H74-D107 PolarHBondContact NE2-OD1 3.17Å; G104-D107 VanDerWaalsContact CA-O 3.28Å; G104-D107 WeakPolarHBondContact CA-O 3.22Å; D107-S111 PolarHBondContact N-OG 3Å; D107-L368 HydrophobicContact CB-CB 3.83Å; D107-H369 IonicContact OD2-CD2 2.84Å; D107-H369 IonicContact OD2-CE1 3.93Å; D107-H369 IonicContact OD2-NE2 3.65Å; D107-H369 PolarHBondContact OD2-NE2 3.07Å; D107-E373 PolarHBondContact N-OE1 2.93Å |
| 108 | M | 81.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 4.8 Ų | 4.8 | 1% | 0.005 | 2% | 0.021 | C | C | . | . | S | Bend | cis | -133.4 | 16.7 | -13.9 | 75.2 | 176.2 | -53.9 | 0 | 0 | 114.8 | S73 H74 S110 S111 V112 Q113 E171 | S73-M108 VanDerWaalsContact CA-SD 3.55Å; S73-M108 WeakPolarHBondContact OG-CE 3.39Å; S73-M108 WeakPolarHBondContact OG-CG 3.21Å; S73-M108 PolarHBondContact OG-SD 3.35Å; H74-M108 HydrophobicContact CB-SD 4.41Å; H74-M108 PolarHBondContact CD2-SD 3.03Å; H74-M108 PolarHBondContact N-SD 3.36Å; H74-M108 VanDerWaalsContact NE2-CG 3.33Å; H74-M108 WeakPolarHBondContact NE2-CG 3.33Å; H74-M108 PolarHBondContact NE2-SD 3.27Å; H74-M108 VanDerWaalsContact NE2-SD 3.44Å; M108-S110 PolarHBondContact O-N 3.37Å; M108-S111 VanDerWaalsContact CA-OG 3.25Å; M108-S111 WeakPolarHBondContact CA-OG 3.41Å; M108-S111 PolarHBondContact O-N 3.16Å; M108-S111 VanDerWaalsContact O-N 3.08Å; M108-V112 HydrophobicContact CB-CB 4.45Å; M108-V112 HydrophobicContact CE-CB 3.88Å; M108-V112 HydrophobicContact CE-CG1 4.39Å; M108-Q113 HydrophobicContact CE-CB 3.57Å; M108-Q113 HydrophobicContact CE-CG 3.99Å; M108-E171 HydrophobicContact CE-CB 4Å; M108-E171 HydrophobicContact SD-CB 4.32Å |
| 109 | K | 82.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -43.4 | -176.1 | -68.8 | -175.6 | 174.2 | 169.4 | 0 | 114.3 | Y13 L14 I16 T18 V77 G104 S114 | Y13-K109 HydrophobicContact CD1-CB 3.81Å; Y13-K109 HydrophobicContact CD1-CG 4.22Å; Y13-K109 HydrophobicContact CE1-CB 3.74Å; Y13-K109 HydrophobicContact CE1-CD 4.46Å; Y13-K109 HydrophobicContact CE1-CG 3.82Å; L14-K109 HydrophobicContact CD2-CB 4.12Å; L14-K109 HydrophobicContact CD2-CD 4.35Å; I16-K109 PolarHBondContact O-NZ 3.28Å; T18-K109 WeakPolarHBondContact OG1-CE 3.44Å; T18-K109 PolarHBondContact OG1-NZ 2.83Å; V77-K109 HydrophobicContact CG1-CD 4.24Å; V77-K109 HydrophobicContact CG1-CG 4.11Å; G104-K109 CarbonylContact O-C 3.57Å; G104-K109 WeakPolarHBondContact O-CA 3.24Å; G104-K109 WeakPolarHBondContact O-CB 3.34Å; G104-K109 PolarHBondContact O-N 2.86Å; K109-S114 WeakPolarHBondContact O-CB 3.32Å |
| 110 | S | 61 | Low | 83.3 | Confident | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.01 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -31.6 | 167.3 | 107.2 | 0 | 0 | 0 | 0 | 113.3 | F10 G104 T105 M108 L375 | F10-S110 VanDerWaalsContact CE2-CA 3.41Å; G104-S110 PolarHBondContact O-N 3.08Å; T105-S110 VanDerWaalsContact CA-OG 3.24Å; T105-S110 WeakPolarHBondContact CA-OG 3.43Å; T105-S110 PolarHBondContact O-OG 3.09Å; M108-S110 PolarHBondContact O-N 3.37Å; S110-L375 WeakPolarHBondContact OG-CD2 3.34Å |
| 111 | S | 44.5 | Very low | 83.2 | Confident | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.011 | C | C | . | . | T | Hydrogen-bonded Turn | -94.7 | -29.4 | -124.7 | -35.7 | 0 | 0 | 0 | 0 | 113.6 | G104 T105 Q106 D107 M108 R116 I361 | G104-S111 VanDerWaalsContact C-OG 3.28Å; G104-S111 PolarHBondContact O-OG 2.81Å; T105-S111 WeakPolarHBondContact CA-OG 3.45Å; T105-S111 VanDerWaalsContact O-CA 3.29Å; T105-S111 WeakPolarHBondContact O-CA 3.27Å; T105-S111 WeakPolarHBondContact O-CB 3.26Å; T105-S111 PolarHBondContact O-OG 3.47Å; Q106-S111 WeakPolarHBondContact CA-OG 3.44Å; Q106-S111 PolarHBondContact N-OG 3.45Å; Q106-S111 WeakPolarHBondContact O-CB 3.18Å; Q106-S111 PolarHBondContact O-OG 3.14Å; D107-S111 PolarHBondContact N-OG 3Å; M108-S111 VanDerWaalsContact CA-OG 3.25Å; M108-S111 WeakPolarHBondContact CA-OG 3.41Å; M108-S111 PolarHBondContact O-N 3.16Å; M108-S111 VanDerWaalsContact O-N 3.08Å; S111-R116 VanDerWaalsContact C-NH2 3.31Å; S111-R116 PolarHBondContact O-NH2 2.67Å; S111-I361 WeakPolarHBondContact O-CD1 3.36Å; S111-I361 WeakPolarHBondContact O-CG1 3.43Å | |
| 112 | V | 45 | Very low | 83.1 | Confident | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -57.1 | -176.6 | -174.3 | 0 | 0 | 0 | 0 | 105.7 | M108 R116 G172 F358 S359 Y387 | M108-V112 HydrophobicContact CB-CB 4.45Å; M108-V112 HydrophobicContact CE-CB 3.88Å; M108-V112 HydrophobicContact CE-CG1 4.39Å; V112-R116 PolarHBondContact O-NE 3.01Å; V112-R116 PolarHBondContact O-NH2 2.7Å; V112-G172 WeakPolarHBondContact CG2-O 3.45Å; V112-F358 VanDerWaalsContact CG1-O 3.23Å; V112-F358 WeakPolarHBondContact CG1-O 3.28Å; V112-S359 WeakPolarHBondContact CG1-OG 3.45Å; V112-S359 WeakPolarHBondContact CG2-OG 3.31Å; V112-Y387 WeakPolarHBondContact O-CE2 3.43Å; V112-Y387 VanDerWaalsContact O-CZ 3.23Å; V112-Y387 PolarHBondContact O-OH 3.03Å |
| 113 | Q | 60.6 | Low | 83.1 | Confident | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -134.4 | -53.5 | -159.9 | -77.6 | 173 | 97.7 | 0 | 0 | 114.8 | N72 M108 L115 R116 Y117 L169 D170 | N72-Q113 WeakPolarHBondContact O-CB 3.43Å; N72-Q113 PolarHBondContact O-NE2 3.13Å; N72-Q113 PolarHBondContact O-OE1 3.47Å; M108-Q113 HydrophobicContact CE-CB 3.57Å; M108-Q113 HydrophobicContact CE-CG 3.99Å; Q113-L115 PolarHBondContact O-N 2.92Å; Q113-R116 PolarHBondContact O-N 3.2Å; Q113-Y117 HydrophobicContact CB-CD2 3.44Å; Q113-Y117 VanDerWaalsContact CB-CD2 3.44Å; Q113-Y117 HydrophobicContact CB-CE1 4.42Å; Q113-Y117 HydrophobicContact CB-CE2 3.12Å; Q113-Y117 HydrophobicContact CB-CG 4.24Å; Q113-Y117 VanDerWaalsContact CD-OH 3.29Å; Q113-Y117 HydrophobicContact CG-CD2 3.99Å; Q113-Y117 HydrophobicContact CG-CE1 4.04Å; Q113-Y117 HydrophobicContact CG-CE2 3.17Å; Q113-Y117 VanDerWaalsContact CG-OH 3.27Å; Q113-Y117 WeakPolarHBondContact CG-OH 3.33Å; Q113-Y117 VanDerWaalsContact O-CB 3.26Å; Q113-Y117 WeakPolarHBondContact O-CB 3.4Å; Q113-Y117 WeakPolarHBondContact O-CD2 3.48Å; Q113-Y117 PolarHBondContact O-N 3.36Å; Q113-Y117 VanDerWaalsContact OE1-CZ 3.3Å; Q113-Y117 PolarHBondContact OE1-OH 3.1Å; Q113-L169 PolarHBondContact OE1-O 3.12Å; Q113-L169 VanDerWaalsContact OE1-O 3.07Å; Q113-D170 PolarHBondContact NE2-O 3.19Å; Q113-D170 VanDerWaalsContact NE2-O 3.09Å; Q113-D170 PolarHBondContact OE1-O 2.57Å |
| 114 | S | 72.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -23 | -87.7 | -175.1 | -84.1 | 0 | 0 | 0 | 0 | 116.1 | S73 K109 F139 | S73-S114 PolarHBondContact OG-N 2.83Å; S73-S114 PolarHBondContact OG-OG 2.92Å; K109-S114 WeakPolarHBondContact O-CB 3.32Å; S114-F139 VanDerWaalsContact CB-CE1 3.45Å; S114-F139 WeakPolarHBondContact O-CZ 3.4Å; S114-F139 VanDerWaalsContact OG-CE1 3.27Å; S114-F139 WeakPolarHBondContact OG-CE1 3.4Å |
| 115 | L | 87.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -76.9 | -32.5 | -175.4 | -77 | 173.5 | 0 | 0 | 0 | 112.4 | F10 Y13 F31 Q113 Y117 L118 E119 | F10-L115 VanDerWaalsContact CA-CD1 3.43Å; F10-L115 HydrophobicContact CB-CD1 3.96Å; F10-L115 HydrophobicContact CD2-CD1 4.33Å; Y13-L115 HydrophobicContact CD1-CD1 3.99Å; Y13-L115 HydrophobicContact CD1-CG 4.14Å; Y13-L115 HydrophobicContact CG-CD1 4.32Å; F31-L115 HydrophobicContact CE1-CD2 4.15Å; F31-L115 HydrophobicContact CZ-CD2 4.48Å; Q113-L115 PolarHBondContact O-N 2.92Å; L115-Y117 PolarHBondContact O-N 2.85Å; L115-L118 HydrophobicContact CD2-CD1 4.14Å; L115-L118 PolarHBondContact O-N 3.06Å; L115-L118 VanDerWaalsContact O-N 3.08Å; L115-E119 VanDerWaalsContact O-CG 3.25Å; L115-E119 WeakPolarHBondContact O-CG 3.4Å; L115-E119 PolarHBondContact O-N 3.21Å |
| 116 | R | 91.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.5 | -31.7 | -179.8 | -63.6 | -167.2 | -68.4 | -172.9 | -1.1 | 112.1 | S111 V112 Q113 A120 P360 Y380 I384 Y387 | S111-R116 VanDerWaalsContact C-NH2 3.31Å; S111-R116 PolarHBondContact O-NH2 2.67Å; V112-R116 PolarHBondContact O-NE 3.01Å; V112-R116 PolarHBondContact O-NH2 2.7Å; Q113-R116 PolarHBondContact O-N 3.2Å; R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 3.35Å; R116-P360 PolarHBondContact NH1-O 2.72Å; R116-Y380 WeakPolarHBondContact CD-O 3.27Å; R116-Y380 HydrophobicContact CG-CD2 3.93Å; R116-Y380 HydrophobicContact CG-CE2 3.5Å; R116-I384 HydrophobicContact CB-CG1 3.9Å; R116-I384 HydrophobicContact CG-CG1 3.69Å; R116-Y387 HydrophobicContact CB-CD2 3.79Å; R116-Y387 HydrophobicContact CB-CE2 4.09Å |
| 117 | Y | 93.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.4 | -48 | 169.8 | -72.7 | -21.3 | 0 | 0 | 0 | 112.9 | L71 Q113 L115 E119 A120 I121 I137 L169 Y387 I391 | L71-Y117 HydrophobicContact CB-CD2 3.6Å; L71-Y117 HydrophobicContact CB-CE2 3.42Å; L71-Y117 VanDerWaalsContact CB-CE2 3.42Å; L71-Y117 HydrophobicContact CB-CG 4.26Å; L71-Y117 HydrophobicContact CD1-CD1 4.11Å; L71-Y117 HydrophobicContact CD1-CD2 4.22Å; L71-Y117 HydrophobicContact CD1-CE1 4.26Å; L71-Y117 HydrophobicContact CD1-CE2 4.39Å; L71-Y117 HydrophobicContact CD1-CG 4.03Å; L71-Y117 HydrophobicContact CD2-CE1 4.11Å; L71-Y117 HydrophobicContact CD2-CE2 4.15Å; L71-Y117 HydrophobicContact CG-CD2 4.4Å; L71-Y117 HydrophobicContact CG-CE2 4.18Å; Q113-Y117 HydrophobicContact CB-CD2 3.44Å; Q113-Y117 VanDerWaalsContact CB-CD2 3.44Å; Q113-Y117 HydrophobicContact CB-CE1 4.42Å; Q113-Y117 HydrophobicContact CB-CE2 3.12Å; Q113-Y117 HydrophobicContact CB-CG 4.24Å; Q113-Y117 VanDerWaalsContact CD-OH 3.29Å; Q113-Y117 HydrophobicContact CG-CD2 3.99Å; Q113-Y117 HydrophobicContact CG-CE1 4.04Å; Q113-Y117 HydrophobicContact CG-CE2 3.17Å; Q113-Y117 VanDerWaalsContact CG-OH 3.27Å; Q113-Y117 WeakPolarHBondContact CG-OH 3.33Å; Q113-Y117 VanDerWaalsContact O-CB 3.26Å; Q113-Y117 WeakPolarHBondContact O-CB 3.4Å; Q113-Y117 WeakPolarHBondContact O-CD2 3.48Å; Q113-Y117 PolarHBondContact O-N 3.36Å; Q113-Y117 VanDerWaalsContact OE1-CZ 3.3Å; Q113-Y117 PolarHBondContact OE1-OH 3.1Å; L115-Y117 PolarHBondContact O-N 2.85Å; Y117-E119 VanDerWaalsContact C-N 3.34Å; Y117-E119 PolarHBondContact O-N 3.04Å; Y117-A120 PolarHBondContact O-N 3.42Å; Y117-I121 WeakPolarHBondContact O-CB 3.17Å; Y117-I121 WeakPolarHBondContact O-CG1 3.34Å; Y117-I121 PolarHBondContact O-N 2.68Å; Y117-I137 HydrophobicContact CD2-CG2 4.35Å; Y117-L169 WeakPolarHBondContact OH-CB 3.43Å; Y117-Y387 AromaticContact CD1-CD1 3.99Å; Y117-Y387 HydrophobicContact CD1-CD1 3.99Å; Y117-Y387 HydrophobicContact CD1-CD2 4.21Å; Y117-Y387 HydrophobicContact CD1-CE1 4.17Å; Y117-Y387 HydrophobicContact CD1-CE2 4.38Å; Y117-Y387 AromaticContact CD1-CG 4Å; Y117-Y387 HydrophobicContact CD1-CG 4Å; Y117-Y387 AromaticContact CE1-CD1 3.4Å; Y117-Y387 HydrophobicContact CE1-CD1 3.4Å; Y117-Y387 HydrophobicContact CE1-CD2 4.25Å; Y117-Y387 AromaticContact CE1-CE1 3.28Å; Y117-Y387 HydrophobicContact CE1-CE1 3.28Å; Y117-Y387 HydrophobicContact CE1-CE2 4.16Å; Y117-Y387 AromaticContact CE1-CG 3.88Å; Y117-Y387 HydrophobicContact CE1-CG 3.88Å; Y117-Y387 AromaticContact CE1-CZ 3.68Å; Y117-Y387 AromaticContact CZ-CE1 3.97Å; Y117-I391 HydrophobicContact CD1-CD1 3.8Å; Y117-I391 HydrophobicContact CE1-CD1 4.16Å |
| 118 | L | 93.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 177.1 | -68.8 | 171.1 | 0 | 0 | 0 | 111.4 | L32 V35 F39 L41 M57 L115 I121 H122 I137 F139 | L32-L118 HydrophobicContact CD2-CD1 4.25Å; V35-L118 HydrophobicContact CG1-CB 4.5Å; V35-L118 HydrophobicContact CG1-CD1 4.06Å; F39-L118 HydrophobicContact CD2-CB 4.08Å; F39-L118 WeakPolarHBondContact CD2-O 3.46Å; F39-L118 HydrophobicContact CE2-CB 3.95Å; L41-L118 HydrophobicContact CD1-CD2 3.74Å; M57-L118 HydrophobicContact CE-CD1 4.39Å; M57-L118 HydrophobicContact CE-CD2 4.45Å; M57-L118 HydrophobicContact SD-CD1 4.31Å; M57-L118 HydrophobicContact SD-CD2 3.38Å; M57-L118 WeakPolarHBondContact SD-CD2 3.38Å; M57-L118 HydrophobicContact SD-CG 4.47Å; L115-L118 HydrophobicContact CD2-CD1 4.14Å; L115-L118 PolarHBondContact O-N 3.06Å; L115-L118 VanDerWaalsContact O-N 3.08Å; L118-I121 PolarHBondContact O-N 3.29Å; L118-H122 VanDerWaalsContact O-CB 3.3Å; L118-H122 WeakPolarHBondContact O-CB 3.44Å; L118-H122 PolarHBondContact O-N 3.06Å; L118-I137 HydrophobicContact CD2-CD1 3.56Å; L118-I137 HydrophobicContact CG-CD1 4.05Å; L118-F139 HydrophobicContact CD1-CE2 4.11Å; L118-F139 HydrophobicContact CD1-CZ 3.71Å; L118-F139 HydrophobicContact CG-CE2 4.45Å; L118-F139 HydrophobicContact CG-CZ 4.17Å |
| 119 | E | 93.9 | Very high | 83.7 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.2 | -64 | -66.6 | 164.8 | 0 | 0 | 112.2 | R9 L115 Y117 H122 R123 I384 | R9-E119 IonicContact CZ-OE1 4Å; R9-E119 IonicContact NE-OE1 2.65Å; R9-E119 PolarHBondContact NE-OE1 3.23Å; R9-E119 VanDerWaalsContact NH2-CD 3.33Å; R9-E119 IonicContact NH2-OE1 3.13Å; R9-E119 PolarHBondContact NH2-OE1 3.45Å; R9-E119 IonicContact NH2-OE2 3.69Å; R9-E119 PolarHBondContact NH2-OE2 3.09Å; L115-E119 VanDerWaalsContact O-CG 3.25Å; L115-E119 WeakPolarHBondContact O-CG 3.4Å; L115-E119 PolarHBondContact O-N 3.21Å; Y117-E119 VanDerWaalsContact C-N 3.34Å; Y117-E119 PolarHBondContact O-N 3.04Å; E119-H122 PolarHBondContact O-N 2.86Å; E119-R123 WeakPolarHBondContact O-CG 3.39Å; E119-R123 PolarHBondContact O-N 2.65Å; E119-I384 HydrophobicContact CB-CD1 3.85Å; E119-I384 HydrophobicContact CB-CG1 4.14Å; E119-I384 HydrophobicContact CB-CG2 3.78Å; E119-I384 HydrophobicContact CG-CD1 3.97Å |
| 120 | A | 94.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R116 Y117 R123 L124 I384 V388 I391 | R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 3.35Å; Y117-A120 PolarHBondContact O-N 3.42Å; A120-R123 PolarHBondContact O-N 3.14Å; A120-L124 WeakPolarHBondContact O-CG 3.47Å; A120-L124 PolarHBondContact O-N 3.18Å; A120-I384 HydrophobicContact CB-CG2 4.42Å; A120-V388 HydrophobicContact CB-CG2 3.76Å; A120-I391 HydrophobicContact CB-CD1 3.93Å |
| 121 | I | 93.8 | Very high | 85.8 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.3 | -70.2 | -168.2 | 0 | 0 | 0 | 110.7 | L41 L59 L71 Y117 L118 R123 L124 K125 I135 I137 | L41-I121 HydrophobicContact CD1-CG2 4.39Å; L41-I121 HydrophobicContact CD2-CG2 3.83Å; L59-I121 HydrophobicContact CB-CG2 4.2Å; L59-I121 HydrophobicContact CD2-CG2 3.74Å; L71-I121 HydrophobicContact CD1-CD1 4.35Å; Y117-I121 WeakPolarHBondContact O-CB 3.17Å; Y117-I121 WeakPolarHBondContact O-CG1 3.34Å; Y117-I121 PolarHBondContact O-N 2.68Å; L118-I121 PolarHBondContact O-N 3.29Å; I121-R123 VanDerWaalsContact C-N 3.35Å; I121-R123 PolarHBondContact O-N 3.17Å; I121-L124 WeakPolarHBondContact O-CB 3.33Å; I121-L124 PolarHBondContact O-N 3.43Å; I121-K125 WeakPolarHBondContact O-CB 3.27Å; I121-K125 PolarHBondContact O-N 3.4Å; I121-I135 HydrophobicContact CD1-CB 4.22Å; I121-I135 HydrophobicContact CD1-CD1 4.5Å; I121-I135 HydrophobicContact CD1-CG2 3.55Å; I121-I137 HydrophobicContact CD1-CD1 3.33Å; I121-I137 HydrophobicContact CD1-CG1 3.67Å; I121-I137 HydrophobicContact CG1-CD1 4.1Å |
| 122 | H | 94.1 | Very high | 88.3 | Confident | 28 Ų | 28 | 33.5 Ų | 33.5 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.9 | -177.1 | 65.2 | 0 | 0 | 0 | 111.7 | M1 F39 L118 E119 L124 K125 M126 | M1-H122 PolarHBondContact SD-CD2 2.84Å; F39-H122 HydrophobicContact CB-CB 4.35Å; F39-H122 HydrophobicContact CD1-CB 4.19Å; F39-H122 AromaticContact CD1-CE1 3.89Å; F39-H122 AromaticContact CD1-CG 3.71Å; F39-H122 AromaticContact CD1-ND1 3.47Å; F39-H122 WeakPolarHBondContact CD1-ND1 2.77Å; F39-H122 HydrophobicContact CD2-CB 3.62Å; F39-H122 HydrophobicContact CE1-CB 4.4Å; F39-H122 AromaticContact CE1-CG 3.92Å; F39-H122 HydrophobicContact CE2-CB 3.82Å; F39-H122 HydrophobicContact CG-CB 3.81Å; F39-H122 AromaticContact CG-CG 3.8Å; F39-H122 AromaticContact CG-ND1 3.65Å; F39-H122 HydrophobicContact CZ-CB 4.22Å; L118-H122 VanDerWaalsContact O-CB 3.3Å; L118-H122 WeakPolarHBondContact O-CB 3.44Å; L118-H122 PolarHBondContact O-N 3.06Å; E119-H122 PolarHBondContact O-N 2.86Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 3.27Å; H122-K125 PolarHBondContact O-N 3.3Å; H122-M126 WeakPolarHBondContact O-CB 3.4Å; H122-M126 WeakPolarHBondContact O-CG 3.36Å; H122-M126 PolarHBondContact O-N 3.29Å |
| 123 | R | 94.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 34.1 Ų | 34.1 | 28% | 0.279 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.7 | -73.5 | -178.4 | -170.6 | -160.8 | 7.8 | 112.3 | E119 A120 I121 G127 E385 V388 | E119-R123 WeakPolarHBondContact O-CG 3.39Å; E119-R123 PolarHBondContact O-N 2.65Å; A120-R123 PolarHBondContact O-N 3.14Å; I121-R123 VanDerWaalsContact C-N 3.35Å; I121-R123 PolarHBondContact O-N 3.17Å; R123-G127 PolarHBondContact O-N 3.32Å; R123-E385 IonicContact NH1-OE1 2.73Å; R123-V388 HydrophobicContact CB-CG2 3.94Å |
| 124 | L | 94.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 176.1 | -75.2 | 167.5 | 0 | 0 | 0 | 111.7 | A120 I121 H122 G127 G128 A129 V388 I391 K392 | A120-L124 WeakPolarHBondContact O-CG 3.47Å; A120-L124 PolarHBondContact O-N 3.18Å; I121-L124 WeakPolarHBondContact O-CB 3.33Å; I121-L124 PolarHBondContact O-N 3.43Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 3.27Å; L124-G127 PolarHBondContact O-N 3.13Å; L124-G128 PolarHBondContact O-N 3.16Å; L124-A129 HydrophobicContact CB-CB 4.2Å; L124-A129 HydrophobicContact CD2-CB 4.01Å; L124-A129 WeakPolarHBondContact O-CB 3.45Å; L124-A129 PolarHBondContact O-N 2.85Å; L124-V388 HydrophobicContact CD2-CG1 3.89Å; L124-V388 HydrophobicContact CG-CG1 4.16Å; L124-I391 HydrophobicContact CD1-CB 4.22Å; L124-I391 HydrophobicContact CD1-CG2 3.91Å; L124-K392 HydrophobicContact CD1-CB 4.4Å; L124-K392 HydrophobicContact CD2-CB 3.74Å; L124-K392 HydrophobicContact CD2-CD 3.88Å; L124-K392 HydrophobicContact CD2-CG 4.01Å |
| 125 | K | 92.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 34.6 Ų | 34.6 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.4 | -47.8 | 178.4 | -173.5 | 174.4 | -180 | 177 | 0 | 112.1 | F39 D40 I121 H122 G127 G128 | F39-K125 PolarHBondContact O-NZ 3.23Å; D40-K125 PolarHBondContact O-NZ 2.87Å; D40-K125 IonicContact OD2-NZ 3.19Å; D40-K125 PolarHBondContact OD2-NZ 3.28Å; I121-K125 WeakPolarHBondContact O-CB 3.27Å; I121-K125 PolarHBondContact O-N 3.4Å; H122-K125 PolarHBondContact O-N 3.3Å; K125-G127 PolarHBondContact O-N 3.44Å; K125-G128 PolarHBondContact O-N 2.97Å |
| 126 | M | 91.9 | Very high | 94.3 | Very high | 140 Ų | 140 | 35.2 Ų | 35.2 | 69% | 0.69 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.1 | -29.3 | 177.1 | -70.2 | -56 | -59.1 | 0 | 0 | 112.8 | H122 G128 | H122-M126 WeakPolarHBondContact O-CB 3.4Å; H122-M126 WeakPolarHBondContact O-CG 3.36Å; H122-M126 PolarHBondContact O-N 3.29Å; M126-G128 PolarHBondContact O-N 3.35Å |
| 127 | G | 92.9 | Very high | 94.5 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 69% | 0.691 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 1.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R123 L124 K125 A129 | R123-G127 PolarHBondContact O-N 3.32Å; L124-G127 PolarHBondContact O-N 3.13Å; K125-G127 PolarHBondContact O-N 3.44Å; G127-A129 VanDerWaalsContact C-N 3.28Å; G127-A129 PolarHBondContact O-N 3.32Å |
| 128 | G | 91.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 50% | 0.495 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 19.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L124 K125 M126 Q130 | L124-G128 PolarHBondContact O-N 3.16Å; K125-G128 PolarHBondContact O-N 2.97Å; M126-G128 PolarHBondContact O-N 3.35Å; G128-Q130 PolarHBondContact O-N 3.39Å; G128-Q130 PolarHBondContact O-NE2 2.84Å |
| 129 | A | 91.6 | Very high | 94.6 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | trans | -63.2 | 121.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L124 G127 L131 | L124-A129 HydrophobicContact CB-CB 4.2Å; L124-A129 HydrophobicContact CD2-CB 4.01Å; L124-A129 WeakPolarHBondContact O-CB 3.45Å; L124-A129 PolarHBondContact O-N 2.85Å; G127-A129 VanDerWaalsContact C-N 3.28Å; G127-A129 PolarHBondContact O-N 3.32Å; A129-L131 HydrophobicContact CB-CD2 4.19Å | ||
| 130 | Q | 91.8 | Very high | 94.7 | Very high | 129 Ų | 129 | 35.2 Ų | 35.2 | 60% | 0.603 | 20% | 0.197 | S | C | * | . | trans | -89.6 | 108.7 | 173.1 | -58.6 | -60 | -52.8 | 0 | 0 | 108.7 | G128 | G128-Q130 PolarHBondContact O-N 3.39Å; G128-Q130 PolarHBondContact O-NE2 2.84Å | ||
| 131 | L | 96.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | trans | -98 | 133.1 | -177.2 | -54.6 | -178.3 | 0 | 0 | 0 | 109.7 | L59 G61 Q62 A129 I135 K392 A395 | L59-L131 HydrophobicContact CD2-CD1 3.83Å; G61-L131 CarbonylContact C-O 3.49Å; G61-L131 WeakPolarHBondContact CA-O 3.27Å; Q62-L131 PolarHBondContact N-O 2.78Å; A129-L131 HydrophobicContact CB-CD2 4.19Å; L131-I135 HydrophobicContact CD1-CD1 3.36Å; L131-I135 HydrophobicContact CD1-CG1 4.48Å; L131-K392 HydrophobicContact CD2-CG 4.26Å; L131-A395 HydrophobicContact CB-CB 4.05Å; L131-A395 HydrophobicContact CD1-CB 4.21Å; L131-A395 HydrophobicContact CD2-CB 4.24Å; L131-A395 HydrophobicContact CG-CB 4.4Å | ||
| 132 | K | 96.6 | Very high | 94.6 | Very high | 104 Ų | 104 | 35.4 Ų | 35.4 | 45% | 0.452 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -67.6 | -47 | 179.6 | -68.7 | 176.5 | -177.5 | 179.3 | 0 | 111.8 | Q62 D63 L66 A395 N396 | Q62-K132 PolarHBondContact N-O 2.88Å; D63-K132 PolarHBondContact N-O 2.79Å; L66-K132 HydrophobicContact CD1-CB 4.32Å; K132-A395 PolarHBondContact N-O 3.29Å; K132-N396 WeakPolarHBondContact CG-OD1 3.15Å; K132-N396 PolarHBondContact N-OD1 3.37Å |
| 133 | R | 97.5 | Very high | 94.5 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -96.5 | 148.6 | -175.8 | -60.9 | 173.5 | -179.2 | -75.2 | -9.4 | 111.5 | L66 P67 A395 V397 | L66-R133 HydrophobicContact CB-CG 3.99Å; L66-R133 HydrophobicContact CD1-CG 4.03Å; P67-R133 WeakPolarHBondContact O-CD 3.48Å; P67-R133 PolarHBondContact O-NH1 2.91Å; R133-A395 PolarHBondContact N-O 2.8Å; R133-V397 PolarHBondContact NE-O 2.99Å; R133-V397 PolarHBondContact NH2-O 3.02Å |
| 134 | T | 97.8 | Very high | 94.2 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | trans | -66 | 142.3 | 168.9 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | T58 L59 G61 S68 V69 H136 | T58-T134 HydrophobicContact CG2-CG2 3.53Å; L59-T134 WeakPolarHBondContact O-CA 3.32Å; G61-T134 PolarHBondContact N-OG1 3.02Å; G61-T134 VanDerWaalsContact N-OG1 3.16Å; S68-T134 WeakPolarHBondContact CA-O 3.48Å; S68-T134 VanDerWaalsContact CB-O 3.29Å; S68-T134 WeakPolarHBondContact CB-O 3.47Å; V69-T134 PolarHBondContact N-O 3.13Å; T134-H136 VanDerWaalsContact CG2-CE1 3.42Å; T134-H136 WeakPolarHBondContact CG2-CE1 3.49Å; T134-H136 WeakPolarHBondContact CG2-NE2 3.33Å | ||
| 135 | I | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.6 | 172.8 | -59.4 | 161.1 | 0 | 0 | 0 | 109.1 | T58 L59 V69 L71 I121 L131 I391 A395 | T58-I135 WeakPolarHBondContact CA-O 3.09Å; L59-I135 PolarHBondContact N-O 2.78Å; L59-I135 PolarHBondContact O-N 2.95Å; V69-I135 HydrophobicContact CB-CG1 4.25Å; V69-I135 CarbonylContact O-C 3.57Å; V69-I135 WeakPolarHBondContact O-CA 3.38Å; L71-I135 HydrophobicContact CD1-CG2 3.57Å; L71-I135 HydrophobicContact CG-CG2 3.99Å; I121-I135 HydrophobicContact CD1-CB 4.22Å; I121-I135 HydrophobicContact CD1-CD1 4.5Å; I121-I135 HydrophobicContact CD1-CG2 3.55Å; L131-I135 HydrophobicContact CD1-CD1 3.36Å; L131-I135 HydrophobicContact CD1-CG1 4.48Å; I135-I391 HydrophobicContact CD1-CG2 3.34Å; I135-I391 HydrophobicContact CG1-CG2 4.28Å; I135-A395 HydrophobicContact CD1-CB 4.03Å; I135-A395 HydrophobicContact CG1-CB 4.16Å |
| 136 | H | 97.3 | Very high | 93 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 6% | 0.06 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.3 | 171.2 | -56.7 | -70.1 | 0 | 0 | 0 | 109.6 | V56 M57 T58 S68 V69 F70 L71 T134 L163 | V56-H136 HydrophobicContact CG1-CB 4.15Å; M57-H136 CarbonylContact O-C 3.58Å; M57-H136 WeakPolarHBondContact O-CA 3.48Å; T58-H136 VanDerWaalsContact CG2-CE1 3.45Å; T58-H136 WeakPolarHBondContact CG2-CE1 3.33Å; T58-H136 WeakPolarHBondContact CG2-ND1 3.47Å; T58-H136 PolarHBondContact OG1-ND1 2.88Å; S68-H136 PolarHBondContact OG-CD2 3.42Å; S68-H136 VanDerWaalsContact OG-CD2 3.31Å; V69-H136 PolarHBondContact O-N 3.32Å; F70-H136 CarbonylContact C-O 3.54Å; F70-H136 WeakPolarHBondContact CA-O 3.2Å; F70-H136 HydrophobicContact CD2-CB 3.86Å; F70-H136 HydrophobicContact CE2-CB 4.41Å; L71-H136 WeakPolarHBondContact CB-O 3.33Å; L71-H136 PolarHBondContact N-O 3.18Å; T134-H136 VanDerWaalsContact CG2-CE1 3.42Å; T134-H136 WeakPolarHBondContact CG2-CE1 3.49Å; T134-H136 WeakPolarHBondContact CG2-NE2 3.33Å; H136-L163 PolarHBondContact NE2-O 2.74Å |
| 137 | I | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.5 | 165.5 | -56 | 167.9 | 0 | 0 | 0 | 107.6 | V56 M57 L71 Y117 L118 I121 F139 | V56-I137 CarbonylContact C-O 3.55Å; V56-I137 WeakPolarHBondContact CA-O 3.37Å; M57-I137 HydrophobicContact CB-CB 4.5Å; M57-I137 PolarHBondContact N-O 3.09Å; M57-I137 PolarHBondContact O-N 2.62Å; L71-I137 HydrophobicContact CB-CG1 4.13Å; L71-I137 HydrophobicContact CD1-CG1 3.98Å; L71-I137 CarbonylContact O-C 3.47Å; L71-I137 WeakPolarHBondContact O-CA 3.39Å; Y117-I137 HydrophobicContact CD2-CG2 4.35Å; L118-I137 HydrophobicContact CD2-CD1 3.56Å; L118-I137 HydrophobicContact CG-CD1 4.05Å; I121-I137 HydrophobicContact CD1-CD1 3.33Å; I121-I137 HydrophobicContact CD1-CG1 3.67Å; I121-I137 HydrophobicContact CG1-CD1 4.1Å; I137-F139 HydrophobicContact CB-CE2 4.42Å; I137-F139 HydrophobicContact CG2-CD2 4.03Å; I137-F139 HydrophobicContact CG2-CE2 3.39Å; I137-F139 HydrophobicContact CG2-CZ 3.94Å |
| 138 | C | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133 | 178 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | I55 V56 F70 L71 N72 S73 V140 | I55-C138 CarbonylContact O-C 3.49Å; I55-C138 VanDerWaalsContact O-CA 3.32Å; I55-C138 WeakPolarHBondContact O-CA 3.32Å; V56-C138 HydrophobicContact CG2-CB 4.45Å; F70-C138 HydrophobicContact CE1-CB 3.77Å; F70-C138 HydrophobicContact CE2-CB 3.64Å; F70-C138 HydrophobicContact CZ-CB 3.12Å; L71-C138 PolarHBondContact O-N 2.84Å; N72-C138 CarbonylContact C-O 3.53Å; S73-C138 PolarHBondContact N-O 3.19Å; C138-V140 WeakPolarHBondContact SG-CG1 2.93Å |
| 139 | F | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.7 | 170.2 | -60.5 | -105.1 | 0 | 0 | 0 | 108.9 | L32 A54 I55 M57 S73 M75 S114 L118 I137 | L32-F139 HydrophobicContact CD1-CB 3.9Å; L32-F139 HydrophobicContact CD1-CD1 3.51Å; L32-F139 HydrophobicContact CD1-CD2 4.17Å; L32-F139 HydrophobicContact CD1-CE1 3.93Å; L32-F139 HydrophobicContact CD1-CG 3.62Å; L32-F139 HydrophobicContact CD1-CZ 4.48Å; L32-F139 HydrophobicContact CD2-CD1 4Å; L32-F139 HydrophobicContact CD2-CE1 3.5Å; L32-F139 VanDerWaalsContact CD2-CE1 3.5Å; L32-F139 HydrophobicContact CD2-CE2 4.24Å; L32-F139 HydrophobicContact CD2-CZ 3.67Å; L32-F139 HydrophobicContact CG-CD1 4.4Å; L32-F139 HydrophobicContact CG-CE1 4.36Å; A54-F139 CarbonylContact C-O 3.57Å; A54-F139 WeakPolarHBondContact CA-O 3.32Å; A54-F139 VanDerWaalsContact CB-O 3.28Å; A54-F139 WeakPolarHBondContact CB-O 3.28Å; I55-F139 HydrophobicContact CG2-CB 3.72Å; I55-F139 HydrophobicContact CG2-CD2 3.88Å; I55-F139 HydrophobicContact CG2-CG 4.15Å; I55-F139 PolarHBondContact N-O 2.89Å; I55-F139 PolarHBondContact O-N 2.96Å; M57-F139 HydrophobicContact CE-CD2 4.29Å; M57-F139 HydrophobicContact CE-CE2 3.96Å; M57-F139 HydrophobicContact SD-CE2 4.48Å; S73-F139 CarbonylContact O-C 3.58Å; S73-F139 WeakPolarHBondContact O-CA 3.26Å; M75-F139 HydrophobicContact CG-CB 3.82Å; M75-F139 HydrophobicContact SD-CB 4.1Å; S114-F139 VanDerWaalsContact CB-CE1 3.45Å; S114-F139 WeakPolarHBondContact O-CZ 3.4Å; S114-F139 VanDerWaalsContact OG-CE1 3.27Å; S114-F139 WeakPolarHBondContact OG-CE1 3.4Å; L118-F139 HydrophobicContact CD1-CE2 4.11Å; L118-F139 HydrophobicContact CD1-CZ 3.71Å; L118-F139 HydrophobicContact CG-CE2 4.45Å; L118-F139 HydrophobicContact CG-CZ 4.17Å; I137-F139 HydrophobicContact CB-CE2 4.42Å; I137-F139 HydrophobicContact CG2-CD2 4.03Å; I137-F139 HydrophobicContact CG2-CE2 3.39Å; I137-F139 HydrophobicContact CG2-CZ 3.94Å |
| 140 | V | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153.9 | -174.3 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | A54 S73 H74 M75 C138 M151 L154 | A54-V140 HydrophobicContact CB-CG1 4.19Å; S73-V140 WeakPolarHBondContact O-CG2 3.15Å; S73-V140 PolarHBondContact O-N 3.1Å; H74-V140 CarbonylContact C-O 3.57Å; H74-V140 WeakPolarHBondContact CA-O 3.2Å; H74-V140 HydrophobicContact CB-CG2 4.06Å; M75-V140 PolarHBondContact N-O 2.63Å; C138-V140 WeakPolarHBondContact SG-CG1 2.93Å; V140-M151 HydrophobicContact CG1-SD 3.76Å; V140-M151 HydrophobicContact CG2-CB 4.31Å; V140-L154 HydrophobicContact CG1-CD2 3.82Å |
| 141 | P | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -86.6 | 177.3 | 169.6 | 36 | -33.3 | 0 | 0 | 0 | 111.4 | Y25 I48 K52 P53 M75 E143 G150 | Y25-P141 HydrophobicContact CD1-CB 4.04Å; Y25-P141 HydrophobicContact CD2-CB 4.28Å; Y25-P141 HydrophobicContact CE1-CB 3.53Å; Y25-P141 HydrophobicContact CE2-CB 3.79Å; Y25-P141 HydrophobicContact CG-CB 4.38Å; I48-P141 HydrophobicContact CD1-CG 4.18Å; K52-P141 HydrophobicContact CB-CB 4.14Å; K52-P141 HydrophobicContact CB-CG 3.76Å; K52-P141 HydrophobicContact CG-CB 4.41Å; K52-P141 HydrophobicContact CG-CG 4.48Å; P53-P141 WeakPolarHBondContact O-CD 3.48Å; M75-P141 HydrophobicContact CE-CB 4.45Å; P141-E143 VanDerWaalsContact C-N 3.32Å; P141-E143 PolarHBondContact O-N 3.26Å; P141-G150 WeakPolarHBondContact O-CA 3.3Å |
| 142 | D | 92.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | trans | 71.7 | 3.5 | 160.3 | -153.4 | 62.4 | 0 | 0 | 0 | 117.5 | Y25 K52 D76 E144 I145 G146 G147 V148 E149 | Y25-D142 PolarHBondContact OH-N 2.65Å; Y25-D142 VanDerWaalsContact OH-N 3.09Å; K52-D142 HydrophobicContact CD-CB 4.43Å; K52-D142 WeakPolarHBondContact CE-OD1 3.45Å; K52-D142 IonicContact NZ-OD1 3.74Å; K52-D142 PolarHBondContact NZ-OD1 3.45Å; D76-D142 PolarHBondContact OD1-N 2.79Å; D76-D142 VanDerWaalsContact OD1-N 3.1Å; D76-D142 WeakPolarHBondContact OD2-CA 3.47Å; D142-E144 PolarHBondContact O-N 3.32Å; D142-I145 HydrophobicContact CB-CG1 4.5Å; D142-I145 WeakPolarHBondContact O-CG1 3.24Å; D142-I145 PolarHBondContact O-N 3.1Å; D142-I145 WeakPolarHBondContact OD1-CD1 3.01Å; D142-I145 WeakPolarHBondContact OD1-CG1 3.42Å; D142-G146 PolarHBondContact O-N 3.32Å; D142-G147 WeakPolarHBondContact O-CA 3.48Å; D142-G147 PolarHBondContact O-N 3.08Å; D142-V148 PolarHBondContact OD2-N 3.31Å; D142-V148 VanDerWaalsContact OD2-N 3.08Å; D142-E149 PolarHBondContact OD2-N 3.31Å | ||
| 143 | E | 91.1 | Very high | 92.1 | Very high | 43 Ų | 43 | 27 Ų | 27 | 20% | 0.201 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -61.3 | -47.3 | -173 | -161.5 | -65.7 | 143.1 | 0 | 0 | 111.3 | H74 D76 P141 I145 G146 | H74-E143 HydrophobicContact CB-CB 3.34Å; H74-E143 HydrophobicContact CB-CG 3.98Å; H74-E143 VanDerWaalsContact CG-CB 3.41Å; D76-E143 PolarHBondContact OD1-N 3.26Å; D76-E143 PolarHBondContact OD2-N 2.94Å; P141-E143 VanDerWaalsContact C-N 3.32Å; P141-E143 PolarHBondContact O-N 3.26Å; E143-I145 PolarHBondContact O-N 3.22Å; E143-G146 WeakPolarHBondContact O-CA 3Å; E143-G146 PolarHBondContact O-N 3.29Å |
| 144 | E | 88.2 | Confident | 92 | Very high | 34 Ų | 34 | 26.5 Ų | 26.5 | 16% | 0.159 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -67.2 | -13.5 | -172.3 | -66.5 | -85.2 | -138.7 | 0 | 0 | 112.8 | Q20 H74 D76 V78 D142 H369 | Q20-E144 HydrophobicContact CG-CB 4.44Å; H74-E144 IonicContact CE1-OE1 3.65Å; D76-E144 WeakPolarHBondContact OD2-CB 3.27Å; D76-E144 PolarHBondContact OD2-N 3.41Å; D76-E144 VanDerWaalsContact OD2-N 3.1Å; V78-E144 HydrophobicContact CG1-CB 4.33Å; V78-E144 VanDerWaalsContact CG1-CD 3.49Å; V78-E144 HydrophobicContact CG1-CG 4.36Å; V78-E144 WeakPolarHBondContact CG1-OE2 3.43Å; V78-E144 PolarHBondContact N-OE1 2.73Å; D142-E144 PolarHBondContact O-N 3.32Å; E144-H369 IonicContact OE1-CD2 3.48Å; E144-H369 IonicContact OE1-NE2 2.8Å; E144-H369 PolarHBondContact OE1-NE2 3.39Å; E144-H369 IonicContact OE2-CE1 3.4Å; E144-H369 PolarHBondContact OE2-CE1 3.18Å; E144-H369 IonicContact OE2-NE2 3.6Å; E144-H369 PolarHBondContact OE2-NE2 2.99Å; E144-H369 VanDerWaalsContact OE2-NE2 3.1Å |
| 145 | I | 83.6 | Confident | 91.7 | Very high | 94 Ų | 94 | 26.4 Ų | 26.4 | 48% | 0.482 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -113.3 | 16.2 | 175.5 | 58.6 | 170.9 | 0 | 0 | 0 | 113 | Q20 D142 E143 | Q20-I145 HydrophobicContact CG-CG2 3.99Å; D142-I145 HydrophobicContact CB-CG1 4.5Å; D142-I145 WeakPolarHBondContact O-CG1 3.24Å; D142-I145 PolarHBondContact O-N 3.1Å; D142-I145 WeakPolarHBondContact OD1-CD1 3.01Å; D142-I145 WeakPolarHBondContact OD1-CG1 3.42Å; E143-I145 PolarHBondContact O-N 3.22Å |
| 146 | G | 79.5 | Confident | 91.6 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 43% | 0.433 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 109.5 | -0.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | D142 E143 V148 | D142-G146 PolarHBondContact O-N 3.32Å; E143-G146 WeakPolarHBondContact O-CA 3Å; E143-G146 PolarHBondContact O-N 3.29Å; G146-V148 VanDerWaalsContact C-N 3.28Å; G146-V148 PolarHBondContact O-N 2.97Å |
| 147 | G | 86.1 | Confident | 91.5 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 67.2 | 20.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D142 G150 R152 | D142-G147 WeakPolarHBondContact O-CA 3.48Å; D142-G147 PolarHBondContact O-N 3.08Å; G147-G150 CarbonylContact O-C 3.26Å; G147-G150 PolarHBondContact O-N 2.67Å; G147-R152 WeakPolarHBondContact O-CB 3.4Å; G147-R152 PolarHBondContact O-N 2.92Å; G147-R152 VanDerWaalsContact O-N 3.07Å |
| 148 | V | 87.6 | Confident | 91.5 | Very high | 84 Ų | 84 | 36.9 Ų | 36.9 | 51% | 0.509 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -46.6 | -175.4 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | D142 G146 G150 A153 | D142-V148 PolarHBondContact OD2-N 3.31Å; D142-V148 VanDerWaalsContact OD2-N 3.08Å; G146-V148 VanDerWaalsContact C-N 3.28Å; G146-V148 PolarHBondContact O-N 2.97Å; V148-G150 VanDerWaalsContact C-N 3.29Å; V148-A153 WeakPolarHBondContact O-CB 3.34Å; V148-A153 PolarHBondContact O-N 3.08Å |
| 149 | E | 92.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 39.9 Ų | 39.9 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 20 | 174.9 | -61.3 | -173.7 | 129.6 | 0 | 0 | 111.4 | I48 A49 K52 D142 | I48-E149 WeakPolarHBondContact CG2-O 3.07Å; A49-E149 HydrophobicContact CB-CB 3.96Å; A49-E149 HydrophobicContact CB-CG 4.26Å; K52-E149 HydrophobicContact CD-CB 3.69Å; K52-E149 WeakPolarHBondContact CE-OE2 3.38Å; K52-E149 IonicContact NZ-OE2 3.26Å; K52-E149 PolarHBondContact NZ-OE2 3.34Å; D142-E149 PolarHBondContact OD2-N 3.31Å |
| 150 | G | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -125.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P141 G147 V148 R152 A153 L154 | P141-G150 WeakPolarHBondContact O-CA 3.3Å; G147-G150 CarbonylContact O-C 3.26Å; G147-G150 PolarHBondContact O-N 2.67Å; V148-G150 VanDerWaalsContact C-N 3.29Å; G150-R152 PolarHBondContact O-N 2.66Å; G150-R152 VanDerWaalsContact O-N 3.14Å; G150-A153 PolarHBondContact O-N 3.24Å; G150-A153 VanDerWaalsContact O-N 3.09Å; G150-L154 PolarHBondContact O-N 3.44Å |
| 151 | M | 91.5 | Very high | 91.6 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.2 | -33.2 | -175.8 | -164.2 | 62.4 | -124.8 | 0 | 0 | 113.6 | F70 V140 A153 L154 V155 F160 Q347 Y348 | F70-M151 HydrophobicContact CE1-CE 4.46Å; F70-M151 HydrophobicContact CE1-SD 4.38Å; F70-M151 HydrophobicContact CZ-CE 4.3Å; F70-M151 HydrophobicContact CZ-SD 4.45Å; V140-M151 HydrophobicContact CG1-SD 3.76Å; V140-M151 HydrophobicContact CG2-CB 4.31Å; M151-A153 VanDerWaalsContact C-N 3.35Å; M151-A153 PolarHBondContact O-N 3.14Å; M151-L154 HydrophobicContact CE-CB 3.9Å; M151-L154 HydrophobicContact CE-CD2 3.75Å; M151-L154 HydrophobicContact CE-CG 3.85Å; M151-L154 PolarHBondContact O-N 3.05Å; M151-L154 HydrophobicContact SD-CB 4.45Å; M151-L154 HydrophobicContact SD-CD2 3.96Å; M151-V155 HydrophobicContact CE-CB 4.41Å; M151-V155 HydrophobicContact CE-CG1 3.28Å; M151-V155 HydrophobicContact CG-CG1 4.43Å; M151-V155 PolarHBondContact O-N 3.27Å; M151-F160 HydrophobicContact CE-CD2 3.71Å; M151-F160 HydrophobicContact CE-CE2 3.54Å; M151-F160 HydrophobicContact CE-CZ 4.29Å; M151-Q347 HydrophobicContact CB-CG 4.47Å; M151-Q347 VanDerWaalsContact CB-OE1 3.31Å; M151-Q347 HydrophobicContact CG-CB 4.38Å; M151-Q347 HydrophobicContact CG-CG 4.49Å; M151-Y348 HydrophobicContact CE-CE1 3.68Å; M151-Y348 HydrophobicContact CG-CE1 4.14Å; M151-Y348 HydrophobicContact CG-CE2 4.39Å; M151-Y348 VanDerWaalsContact CG-OH 3.27Å; M151-Y348 WeakPolarHBondContact CG-OH 3.31Å; M151-Y348 HydrophobicContact SD-CE1 3.99Å; M151-Y348 PolarHBondContact SD-OH 2.85Å |
| 152 | R | 89.5 | Confident | 91.7 | Very high | 97 Ų | 97 | 54 Ų | 54 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 178.8 | -171.8 | -179.6 | 178.9 | 179.4 | -1.4 | 112.6 | G147 G150 V155 H307 Q347 | G147-R152 WeakPolarHBondContact O-CB 3.4Å; G147-R152 PolarHBondContact O-N 2.92Å; G147-R152 VanDerWaalsContact O-N 3.07Å; G150-R152 PolarHBondContact O-N 2.66Å; G150-R152 VanDerWaalsContact O-N 3.14Å; R152-V155 VanDerWaalsContact O-CG2 3.27Å; R152-V155 WeakPolarHBondContact O-CG2 3.13Å; R152-H307 PolarHBondContact NH1-CE1 3.26Å; R152-H307 PolarHBondContact NH2-NE2 2.84Å; R152-Q347 HydrophobicContact CB-CG 4.03Å |
| 153 | A | 93.2 | Very high | 91.9 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 22% | 0.223 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.1 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I48 V148 G150 M151 V155 E156 M157 | I48-A153 HydrophobicContact CG2-CB 3.47Å; I48-A153 VanDerWaalsContact CG2-CB 3.47Å; V148-A153 WeakPolarHBondContact O-CB 3.34Å; V148-A153 PolarHBondContact O-N 3.08Å; G150-A153 PolarHBondContact O-N 3.24Å; G150-A153 VanDerWaalsContact O-N 3.09Å; M151-A153 VanDerWaalsContact C-N 3.35Å; M151-A153 PolarHBondContact O-N 3.14Å; A153-V155 PolarHBondContact O-N 3.18Å; A153-E156 WeakPolarHBondContact O-CB 3.44Å; A153-E156 PolarHBondContact O-N 3.09Å; A153-E156 VanDerWaalsContact O-N 3.08Å; A153-M157 WeakPolarHBondContact O-CG 3.39Å |
| 154 | L | 95.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | -179.4 | -177.3 | 59.7 | 0 | 0 | 0 | 113 | V46 I48 V140 G150 M151 E156 M157 F160 | V46-L154 HydrophobicContact CG1-CD1 4.08Å; I48-L154 HydrophobicContact CD1-CB 3.91Å; I48-L154 HydrophobicContact CD1-CD2 4.35Å; I48-L154 HydrophobicContact CD1-CG 4.5Å; I48-L154 HydrophobicContact CG1-CB 4.38Å; I48-L154 HydrophobicContact CG1-CD1 4.48Å; V140-L154 HydrophobicContact CG1-CD2 3.82Å; G150-L154 PolarHBondContact O-N 3.44Å; M151-L154 HydrophobicContact CE-CB 3.9Å; M151-L154 HydrophobicContact CE-CD2 3.75Å; M151-L154 HydrophobicContact CE-CG 3.85Å; M151-L154 PolarHBondContact O-N 3.05Å; M151-L154 HydrophobicContact SD-CB 4.45Å; M151-L154 HydrophobicContact SD-CD2 3.96Å; L154-E156 PolarHBondContact O-N 2.92Å; L154-E156 VanDerWaalsContact O-N 3.12Å; L154-M157 HydrophobicContact CD1-SD 4.18Å; L154-M157 WeakPolarHBondContact O-CB 3.22Å; L154-M157 PolarHBondContact O-N 2.74Å; L154-F160 HydrophobicContact CD1-CB 4.46Å; L154-F160 HydrophobicContact CG-CB 4.37Å; L154-F160 HydrophobicContact CG-CD2 4.35Å; L154-F160 WeakPolarHBondContact O-CB 3.38Å |
| 155 | V | 93 | Very high | 92.6 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.9 | 178.2 | -64.6 | 0 | 0 | 0 | 0 | 114.4 | M151 R152 A153 F160 Q347 Y348 K351 | M151-V155 HydrophobicContact CE-CB 4.41Å; M151-V155 HydrophobicContact CE-CG1 3.28Å; M151-V155 HydrophobicContact CG-CG1 4.43Å; M151-V155 PolarHBondContact O-N 3.27Å; R152-V155 VanDerWaalsContact O-CG2 3.27Å; R152-V155 WeakPolarHBondContact O-CG2 3.13Å; A153-V155 PolarHBondContact O-N 3.18Å; V155-F160 HydrophobicContact CB-CD1 4.18Å; V155-F160 HydrophobicContact CB-CE1 4.21Å; V155-F160 HydrophobicContact CG1-CD1 4.27Å; V155-F160 HydrophobicContact CG1-CE1 3.95Å; V155-F160 HydrophobicContact CG1-CE2 4.27Å; V155-F160 HydrophobicContact CG1-CZ 3.96Å; V155-Q347 HydrophobicContact CG1-CB 3.97Å; V155-Q347 HydrophobicContact CG2-CB 3.97Å; V155-Y348 HydrophobicContact CG1-CD1 4.3Å; V155-Y348 HydrophobicContact CG1-CE1 4.4Å; V155-K351 HydrophobicContact CB-CG 4.15Å; V155-K351 HydrophobicContact CG2-CG 4.46Å; V155-K351 WeakPolarHBondContact O-CE 3.41Å |
| 156 | E | 93.7 | Very high | 93.1 | Very high | 105 Ų | 105 | 51.4 Ų | 51.4 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -15.1 | 175.8 | -58 | -60.6 | 157.3 | 0 | 0 | 112.7 | A153 L154 K351 | A153-E156 WeakPolarHBondContact O-CB 3.44Å; A153-E156 PolarHBondContact O-N 3.09Å; A153-E156 VanDerWaalsContact O-N 3.08Å; L154-E156 PolarHBondContact O-N 2.92Å; L154-E156 VanDerWaalsContact O-N 3.12Å; E156-K351 WeakPolarHBondContact OE1-CE 3.27Å; E156-K351 IonicContact OE1-NZ 2.69Å; E156-K351 PolarHBondContact OE1-NZ 3.15Å; E156-K351 IonicContact OE2-NZ 3.21Å; E156-K351 PolarHBondContact OE2-NZ 3.04Å |
| 157 | M | 95.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 22% | 0.217 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -79.5 | 152.2 | -175.9 | -64.4 | -175.8 | 170.6 | 0 | 0 | 112.5 | V46 I48 A153 L154 E159 F160 R161 | V46-M157 HydrophobicContact CG1-SD 4.12Å; I48-M157 HydrophobicContact CB-CE 4.35Å; I48-M157 HydrophobicContact CG2-CE 4.03Å; A153-M157 WeakPolarHBondContact O-CG 3.39Å; L154-M157 HydrophobicContact CD1-SD 4.18Å; L154-M157 WeakPolarHBondContact O-CB 3.22Å; L154-M157 PolarHBondContact O-N 2.74Å; M157-E159 HydrophobicContact CB-CB 4.39Å; M157-E159 WeakPolarHBondContact CB-OE2 3.47Å; M157-E159 PolarHBondContact O-N 3.36Å; M157-F160 PolarHBondContact O-N 3.34Å; M157-R161 PolarHBondContact O-N 3.08Å |
| 158 | E | 95.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.8 | -31.4 | 176.1 | -171.4 | 59.2 | -145 | 0 | 0 | 111.2 | F160 R161 R162 | E158-F160 VanDerWaalsContact C-N 3.27Å; E158-F160 PolarHBondContact O-N 2.95Å; E158-R161 PolarHBondContact O-N 3.27Å; E158-R161 IonicContact OE2-CZ 3.6Å; E158-R161 IonicContact OE2-NH1 3.99Å; E158-R161 PolarHBondContact OE2-NH1 2.98Å; E158-R162 HydrophobicContact CG-CG 4.47Å; E158-R162 WeakPolarHBondContact O-CG 3.38Å; E158-R162 PolarHBondContact O-N 2.84Å |
| 159 | E | 95.6 | Very high | 94.4 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 29% | 0.29 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -48.8 | -48.9 | 171.3 | -73.5 | 61.2 | -139.8 | 0 | 0 | 111.7 | V46 M157 R162 L163 | V46-E159 HydrophobicContact CG1-CB 4.39Å; V46-E159 HydrophobicContact CG1-CG 4Å; V46-E159 HydrophobicContact CG2-CB 4.36Å; V46-E159 HydrophobicContact CG2-CG 4.09Å; M157-E159 HydrophobicContact CB-CB 4.39Å; M157-E159 WeakPolarHBondContact CB-OE2 3.47Å; M157-E159 PolarHBondContact O-N 3.36Å; E159-R162 IonicContact OE1-CZ 2.66Å; E159-R162 IonicContact OE1-NH1 3Å; E159-R162 IonicContact OE1-NH2 3.96Å; E159-R162 PolarHBondContact OE1-NH2 2.78Å; E159-L163 WeakPolarHBondContact O-CG 3.4Å |
| 160 | F | 96.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.8 | -40.2 | -179.7 | -177.4 | -93.5 | 0 | 0 | 0 | 111.9 | F70 M151 L154 V155 M157 E158 R162 L163 V165 Y348 I353 | F70-F160 HydrophobicContact CD2-CE2 4.24Å; F70-F160 HydrophobicContact CE1-CE2 4.21Å; F70-F160 HydrophobicContact CE2-CD2 4.21Å; F70-F160 AromaticContact CE2-CE2 3.84Å; F70-F160 HydrophobicContact CE2-CE2 3.84Å; F70-F160 HydrophobicContact CZ-CD2 4.27Å; F70-F160 AromaticContact CZ-CE2 3.79Å; F70-F160 HydrophobicContact CZ-CE2 3.79Å; M151-F160 HydrophobicContact CE-CD2 3.71Å; M151-F160 HydrophobicContact CE-CE2 3.54Å; M151-F160 HydrophobicContact CE-CZ 4.29Å; L154-F160 HydrophobicContact CD1-CB 4.46Å; L154-F160 HydrophobicContact CG-CB 4.37Å; L154-F160 HydrophobicContact CG-CD2 4.35Å; L154-F160 WeakPolarHBondContact O-CB 3.38Å; V155-F160 HydrophobicContact CB-CD1 4.18Å; V155-F160 HydrophobicContact CB-CE1 4.21Å; V155-F160 HydrophobicContact CG1-CD1 4.27Å; V155-F160 HydrophobicContact CG1-CE1 3.95Å; V155-F160 HydrophobicContact CG1-CE2 4.27Å; V155-F160 HydrophobicContact CG1-CZ 3.96Å; M157-F160 PolarHBondContact O-N 3.34Å; E158-F160 VanDerWaalsContact C-N 3.27Å; E158-F160 PolarHBondContact O-N 2.95Å; F160-R162 PolarHBondContact O-N 3.07Å; F160-L163 HydrophobicContact CD2-CD1 4.19Å; F160-L163 WeakPolarHBondContact O-CB 3.41Å; F160-L163 PolarHBondContact O-N 2.83Å; F160-V165 HydrophobicContact CE2-CG2 4.13Å; F160-V165 HydrophobicContact CZ-CB 4.35Å; F160-V165 HydrophobicContact CZ-CG2 3.94Å; F160-Y348 HydrophobicContact CE2-CD1 4.41Å; F160-Y348 HydrophobicContact CE2-CE1 4.13Å; F160-Y348 AromaticContact CZ-CD1 3.92Å; F160-Y348 HydrophobicContact CZ-CD1 3.92Å; F160-Y348 HydrophobicContact CZ-CE1 4.11Å; F160-I353 HydrophobicContact CE1-CD1 3.58Å; F160-I353 HydrophobicContact CZ-CD1 3.8Å |
| 161 | R | 95.4 | Very high | 93.9 | Very high | 153 Ų | 153 | 42 Ų | 42 | 58% | 0.577 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -57.2 | -39.7 | 176.8 | -175.6 | 177.2 | -70.5 | 125.2 | 3.7 | 111.8 | M157 E158 L163 N164 | M157-R161 PolarHBondContact O-N 3.08Å; E158-R161 PolarHBondContact O-N 3.27Å; E158-R161 IonicContact OE2-CZ 3.6Å; E158-R161 IonicContact OE2-NH1 3.99Å; E158-R161 PolarHBondContact OE2-NH1 2.98Å; R161-L163 PolarHBondContact O-N 3.41Å; R161-N164 PolarHBondContact O-N 3.07Å |
| 162 | R | 96.4 | Very high | 93.6 | Very high | 138 Ų | 138 | 42 Ų | 42 | 52% | 0.521 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.6 | 177.6 | -71.1 | -172.9 | -59.2 | -101.8 | 4.7 | 114.2 | E158 E159 F160 N164 | E158-R162 HydrophobicContact CG-CG 4.47Å; E158-R162 WeakPolarHBondContact O-CG 3.38Å; E158-R162 PolarHBondContact O-N 2.84Å; E159-R162 IonicContact OE1-CZ 2.66Å; E159-R162 IonicContact OE1-NH1 3Å; E159-R162 IonicContact OE1-NH2 3.96Å; E159-R162 PolarHBondContact OE1-NH2 2.78Å; F160-R162 PolarHBondContact O-N 3.07Å; R162-N164 PolarHBondContact O-N 2.71Å |
| 163 | L | 97.1 | Very high | 93.4 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -9.7 | 177.8 | -55.4 | -179.6 | 0 | 0 | 0 | 113 | V56 S68 F70 H136 E159 F160 R161 V165 | V56-L163 HydrophobicContact CG1-CD1 4.14Å; V56-L163 HydrophobicContact CG1-CD2 4.2Å; S68-L163 WeakPolarHBondContact CB-O 3.23Å; S68-L163 PolarHBondContact OG-O 2.94Å; F70-L163 HydrophobicContact CD2-CD1 4.04Å; F70-L163 HydrophobicContact CE2-CD1 3.62Å; H136-L163 PolarHBondContact NE2-O 2.74Å; E159-L163 WeakPolarHBondContact O-CG 3.4Å; F160-L163 HydrophobicContact CD2-CD1 4.19Å; F160-L163 WeakPolarHBondContact O-CB 3.41Å; F160-L163 PolarHBondContact O-N 2.83Å; R161-L163 PolarHBondContact O-N 3.41Å; L163-V165 VanDerWaalsContact C-N 3.31Å; L163-V165 HydrophobicContact CB-CG2 3.81Å; L163-V165 PolarHBondContact O-N 2.84Å |
| 164 | N | 96.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 39.2 Ų | 39.2 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | trans | 50.8 | 46.8 | 176.9 | -172.3 | 29.1 | 0 | 0 | 0 | 112.8 | S65 L66 P67 S68 R161 R162 G166 | S65-N164 PolarHBondContact O-ND2 3.41Å; S65-N164 VanDerWaalsContact O-ND2 3.09Å; L66-N164 PolarHBondContact O-ND2 3.32Å; P67-N164 CarbonylContact C-O 3.58Å; P67-N164 VanDerWaalsContact CA-O 3.27Å; P67-N164 WeakPolarHBondContact CA-O 3.47Å; S68-N164 PolarHBondContact N-O 3.45Å; S68-N164 PolarHBondContact OG-O 3.3Å; R161-N164 PolarHBondContact O-N 3.07Å; R162-N164 PolarHBondContact O-N 2.71Å; N164-G166 PolarHBondContact O-N 3.27Å | ||
| 165 | V | 96.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 123.5 | -170.5 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | S68 F70 F160 L163 I167 I353 | S68-V165 WeakPolarHBondContact OG-CA 3.26Å; F70-V165 HydrophobicContact CB-CB 4.32Å; F70-V165 HydrophobicContact CB-CG1 3.42Å; F70-V165 VanDerWaalsContact CB-CG1 3.42Å; F70-V165 HydrophobicContact CB-CG2 3.9Å; F70-V165 HydrophobicContact CD2-CG2 3.84Å; F70-V165 HydrophobicContact CG-CG1 4.26Å; F70-V165 HydrophobicContact CG-CG2 4.11Å; F160-V165 HydrophobicContact CE2-CG2 4.13Å; F160-V165 HydrophobicContact CZ-CB 4.35Å; F160-V165 HydrophobicContact CZ-CG2 3.94Å; L163-V165 VanDerWaalsContact C-N 3.31Å; L163-V165 HydrophobicContact CB-CG2 3.81Å; L163-V165 PolarHBondContact O-N 2.84Å; V165-I167 WeakPolarHBondContact CG1-O 3.45Å; V165-I353 HydrophobicContact CB-CD1 4.1Å; V165-I353 HydrophobicContact CB-CG2 4.43Å; V165-I353 HydrophobicContact CG1-CD1 4.36Å; V165-I353 HydrophobicContact CG1-CG2 3.66Å |
| 166 | G | 94 | Very high | 92.8 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -39.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | S68 N164 | S68-G166 PolarHBondContact O-N 3.17Å; N164-G166 PolarHBondContact O-N 3.27Å |
| 167 | I | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.4 | 178.5 | -179.4 | 162.5 | 0 | 0 | 0 | 110.5 | S68 V69 F70 V165 W326 I330 V354 Y356 L394 | S68-I167 PolarHBondContact O-N 3.14Å; V69-I167 HydrophobicContact CB-CG2 4.23Å; V69-I167 HydrophobicContact CG1-CG2 4.18Å; V69-I167 HydrophobicContact CG2-CG2 3.9Å; F70-I167 PolarHBondContact N-O 2.99Å; V165-I167 WeakPolarHBondContact CG1-O 3.45Å; I167-W326 HydrophobicContact CB-CD2 4.12Å; I167-W326 HydrophobicContact CB-CE3 4.25Å; I167-W326 HydrophobicContact CB-CZ2 4.47Å; I167-W326 HydrophobicContact CB-CZ3 4.44Å; I167-W326 HydrophobicContact CD1-CB 3.81Å; I167-W326 HydrophobicContact CD1-CD2 3.99Å; I167-W326 HydrophobicContact CD1-CE3 3.92Å; I167-W326 HydrophobicContact CD1-CG 3.97Å; I167-W326 HydrophobicContact CG2-CD2 4.13Å; I167-W326 HydrophobicContact CG2-CE3 3.81Å; I167-W326 HydrophobicContact CG2-CH2 3.72Å; I167-W326 HydrophobicContact CG2-CZ2 4.08Å; I167-W326 HydrophobicContact CG2-CZ3 3.57Å; I167-I330 HydrophobicContact CD1-CD1 4.42Å; I167-V354 CarbonylContact C-O 3.48Å; I167-V354 VanDerWaalsContact CA-O 3.26Å; I167-V354 WeakPolarHBondContact CA-O 3.46Å; I167-V354 HydrophobicContact CB-CB 4.49Å; I167-V354 HydrophobicContact CD1-CG1 4.2Å; I167-V354 HydrophobicContact CG1-CB 4.45Å; I167-V354 HydrophobicContact CG1-CG1 4.2Å; I167-Y356 HydrophobicContact CD1-CD2 3.77Å; I167-Y356 HydrophobicContact CD1-CE2 3.82Å; I167-Y356 HydrophobicContact CG1-CD2 4.4Å; I167-L394 HydrophobicContact CD1-CD2 4.07Å |
| 168 | C | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.4 | 169.6 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | F70 Y348 I353 V354 A355 Y356 | F70-C168 CarbonylContact O-C 3.5Å; F70-C168 VanDerWaalsContact O-CA 3.24Å; F70-C168 WeakPolarHBondContact O-CA 3.38Å; C168-Y348 HydrophobicContact CB-CD1 4Å; C168-Y348 HydrophobicContact CB-CD2 3.97Å; C168-Y348 HydrophobicContact CB-CE1 4.31Å; C168-Y348 HydrophobicContact CB-CE2 4.33Å; C168-Y348 HydrophobicContact CB-CG 3.81Å; C168-Y348 VanDerWaalsContact SG-CD2 3.58Å; C168-Y348 WeakPolarHBondContact SG-CE2 3.39Å; C168-I353 HydrophobicContact CB-CG2 4.48Å; C168-V354 PolarHBondContact N-O 2.95Å; C168-A355 HydrophobicContact CB-CB 4.01Å; C168-A355 CarbonylContact O-C 3.48Å; C168-A355 VanDerWaalsContact O-CA 3.27Å; C168-A355 WeakPolarHBondContact O-CA 3.46Å; C168-Y356 PolarHBondContact O-N 2.8Å |
| 169 | L | 92.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133 | 155.2 | -64.3 | -174.5 | 0 | 0 | 0 | 108.4 | F70 L71 N72 Q113 Y117 Y356 L390 L394 | F70-L169 PolarHBondContact O-N 3.4Å; L71-L169 HydrophobicContact CD2-CB 3.89Å; L71-L169 HydrophobicContact CD2-CD1 3.79Å; L71-L169 HydrophobicContact CD2-CG 4.02Å; N72-L169 PolarHBondContact N-O 3.11Å; Q113-L169 PolarHBondContact OE1-O 3.12Å; Q113-L169 VanDerWaalsContact OE1-O 3.07Å; Y117-L169 WeakPolarHBondContact OH-CB 3.43Å; L169-Y356 CarbonylContact C-O 3.26Å; L169-Y356 WeakPolarHBondContact CA-O 3.48Å; L169-L390 HydrophobicContact CD1-CD2 3.67Å; L169-L390 HydrophobicContact CD1-CG 4.08Å; L169-L394 HydrophobicContact CD1-CD1 3.67Å; L169-L394 HydrophobicContact CD2-CD1 4.11Å; L169-L394 HydrophobicContact CG-CD1 3.95Å |
| 170 | D | 89.1 | Confident | 91.5 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | -179.4 | -177.8 | -161.8 | 15.9 | 0 | 0 | 0 | 109.5 | N72 Q113 I344 G345 Y348 Y356 G357 F358 | N72-D170 PolarHBondContact ND2-OD1 3.04Å; Q113-D170 PolarHBondContact NE2-O 3.19Å; Q113-D170 VanDerWaalsContact NE2-O 3.09Å; Q113-D170 PolarHBondContact OE1-O 2.57Å; D170-I344 HydrophobicContact CB-CG2 3.54Å; D170-G345 VanDerWaalsContact OD2-CA 3.3Å; D170-G345 WeakPolarHBondContact OD2-CA 3.35Å; D170-G345 PolarHBondContact OD2-N 3.3Å; D170-Y348 HydrophobicContact CB-CE2 4.49Å; D170-Y356 PolarHBondContact N-O 2.9Å; D170-G357 CarbonylContact O-C 3.57Å; D170-G357 VanDerWaalsContact O-CA 3.31Å; D170-G357 WeakPolarHBondContact O-CA 3.47Å; D170-F358 PolarHBondContact O-N 3.11Å |
| 171 | E | 85.7 | Confident | 91 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | trans | -60.3 | 170.3 | -168.9 | 73.8 | -176 | -162.7 | 0 | 0 | 114.3 | H74 M108 I344 G357 F358 | H74-E171 IonicContact CD2-OE2 3.88Å; H74-E171 IonicContact NE2-OE2 3.1Å; M108-E171 HydrophobicContact CE-CB 4Å; M108-E171 HydrophobicContact SD-CB 4.32Å; E171-I344 HydrophobicContact CG-CD1 3.96Å; E171-I344 HydrophobicContact CG-CG1 3.68Å; E171-I344 HydrophobicContact CG-CG2 4.23Å; E171-I344 WeakPolarHBondContact O-CD1 3.41Å; E171-I344 WeakPolarHBondContact O-CG2 3.47Å; E171-G357 CarbonylContact O-C 3.58Å; E171-G357 VanDerWaalsContact O-C 3.26Å; E171-G357 WeakPolarHBondContact O-CA 3.41Å; E171-F358 PolarHBondContact O-N 3.27Å | ||
| 172 | G | 85.3 | Confident | 90.6 | Very high | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | trans | -160.1 | 173.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109 | V112 S359 | V112-G172 WeakPolarHBondContact CG2-O 3.45Å; G172-S359 WeakPolarHBondContact CA-OG 3.36Å; G172-S359 PolarHBondContact N-OG 3.23Å; G172-S359 PolarHBondContact O-OG 3.44Å | ||
| 173 | L | 85.5 | Confident | 90 | Very high | 62 Ų | 62 | 31 Ų | 31 | 33% | 0.325 | 16% | 0.16 | S | C | . | . | trans | -100.7 | 157.6 | -179.4 | -48.4 | 177.9 | 0 | 0 | 0 | 111.4 | Y183 L368 | L173-Y183 HydrophobicContact CB-CE2 4.46Å; L173-Y183 WeakPolarHBondContact CB-OH 3.31Å; L173-Y183 WeakPolarHBondContact CD1-OH 3.41Å; L173-Y183 HydrophobicContact CG-CE2 4.32Å; L173-Y183 WeakPolarHBondContact CG-OH 3.46Å; L173-L368 HydrophobicContact CD2-CD2 3.67Å | ||
| 174 | A | 88.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | trans | -57.9 | 151.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R181 I361 I366 | A174-R181 PolarHBondContact O-NH1 3.43Å; A174-I361 HydrophobicContact CB-CB 4.2Å; A174-I361 HydrophobicContact CB-CG2 3.57Å; A174-I366 HydrophobicContact CB-CG1 4.35Å | ||
| 175 | S | 88.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | trans | -111.2 | 133.2 | 167.1 | -156.1 | 0 | 0 | 0 | 0 | 111.5 | D177 I179 R181 I361 V362 Q363 T364 | S175-D177 VanDerWaalsContact C-N 3.28Å; S175-D177 VanDerWaalsContact OG-CG 3.25Å; S175-D177 PolarHBondContact OG-OD1 3.2Å; S175-I179 VanDerWaalsContact CB-O 3.24Å; S175-I179 WeakPolarHBondContact CB-O 3.24Å; S175-I179 PolarHBondContact OG-O 3.49Å; S175-R181 PolarHBondContact OG-NE 2.92Å; S175-R181 PolarHBondContact OG-NH1 3.44Å; S175-R181 PolarHBondContact OG-NH2 3.18Å; S175-R181 VanDerWaalsContact OG-NH2 3.14Å; S175-I361 PolarHBondContact N-O 2.65Å; S175-V362 CarbonylContact O-C 3.45Å; S175-V362 VanDerWaalsContact O-C 3.26Å; S175-V362 WeakPolarHBondContact O-CA 3.35Å; S175-Q363 PolarHBondContact O-N 2.82Å; S175-T364 CarbonylContact C-O 3.55Å; S175-T364 PolarHBondContact O-N 3.5Å; S175-T364 VanDerWaalsContact O-O 3.05Å | ||
| 176 | E | 91.1 | Very high | 86.5 | Confident | 134 Ų | 134 | 27.5 Ų | 27.5 | 63% | 0.626 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -75.6 | -21.8 | 173.9 | -57.1 | -171.3 | 130.1 | 0 | 0 | 111.9 | I366 | E176-I366 HydrophobicContact CG-CG1 4.2Š|
| 177 | D | 90.2 | Very high | 85.1 | Confident | 59 Ų | 59 | 27.4 Ų | 27.4 | 32% | 0.316 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -97.8 | 177.6 | 174.8 | 58.2 | 44.8 | 0 | 0 | 0 | 111.1 | S175 I179 R181 V362 Q363 | S175-D177 VanDerWaalsContact C-N 3.28Å; S175-D177 VanDerWaalsContact OG-CG 3.25Å; S175-D177 PolarHBondContact OG-OD1 3.2Å; D177-I179 PolarHBondContact O-N 3.42Å; D177-I179 WeakPolarHBondContact OD1-CA 3.28Å; D177-I179 WeakPolarHBondContact OD1-CB 3.36Å; D177-I179 PolarHBondContact OD1-N 3.43Å; D177-R181 IonicContact OD2-NH2 3.75Å; D177-R181 PolarHBondContact OD2-NH2 3.46Å; D177-V362 WeakPolarHBondContact O-CB 3.47Å; D177-Q363 PolarHBondContact O-N 2.71Å |
| 178 | D | 88.7 | Confident | 83.8 | Confident | 92 Ų | 92 | 28.2 Ų | 28.2 | 49% | 0.492 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -85.6 | 25.1 | 176.7 | -163.7 | 28.2 | 0 | 0 | 0 | 113.1 | Q363 K382 | D178-Q363 HydrophobicContact CB-CG 3.99Å; D178-K382 IonicContact OD1-NZ 3.1Å |
| 179 | I | 87.8 | Confident | 82.6 | Confident | 64 Ų | 64 | 29.9 Ų | 29.9 | 33% | 0.328 | 15% | 0.15 | S | C | . | . | trans | -113 | 123.9 | -177.2 | -51.1 | 176.4 | 0 | 0 | 0 | 109.5 | S175 D177 | S175-I179 VanDerWaalsContact CB-O 3.24Å; S175-I179 WeakPolarHBondContact CB-O 3.24Å; S175-I179 PolarHBondContact OG-O 3.49Å; D177-I179 PolarHBondContact O-N 3.42Å; D177-I179 WeakPolarHBondContact OD1-CA 3.28Å; D177-I179 WeakPolarHBondContact OD1-CB 3.36Å; D177-I179 PolarHBondContact OD1-N 3.43Å | ||
| 180 | Y | 88.3 | Confident | 81.6 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 144.5 | 173.2 | -64.6 | -56.5 | 0 | 0 | 0 | 111.9 | F334 Y336 S337 F358 P360 V362 T386 | Y180-F334 HydrophobicContact CD2-CB 3.84Å; Y180-F334 AromaticContact CD2-CD2 3.6Å; Y180-F334 HydrophobicContact CD2-CD2 3.6Å; Y180-F334 HydrophobicContact CD2-CE2 4.32Å; Y180-F334 AromaticContact CD2-CG 3.79Å; Y180-F334 HydrophobicContact CD2-CG 3.79Å; Y180-F334 HydrophobicContact CE2-CB 4.05Å; Y180-F334 HydrophobicContact CE2-CG 4.28Å; Y180-F334 HydrophobicContact CG-CD2 4.2Å; Y180-Y336 WeakPolarHBondContact O-CA 3.19Å; Y180-S337 PolarHBondContact O-N 2.74Å; Y180-S337 VanDerWaalsContact O-O 3.12Å; Y180-S337 PolarHBondContact O-OG 2.61Å; Y180-F358 HydrophobicContact CD1-CZ 4.5Å; Y180-F358 HydrophobicContact CG-CE2 4.21Å; Y180-F358 HydrophobicContact CG-CZ 4.37Å; Y180-P360 HydrophobicContact CD1-CB 4.21Å; Y180-P360 VanDerWaalsContact CE1-CA 3.44Å; Y180-P360 HydrophobicContact CE1-CB 3.69Å; Y180-V362 HydrophobicContact CD1-CG1 3.35Å; Y180-V362 HydrophobicContact CE1-CB 4.4Å; Y180-V362 HydrophobicContact CE1-CG1 3.46Å; Y180-V362 VanDerWaalsContact CE1-CG1 3.46Å; Y180-V362 HydrophobicContact CE1-CG2 4.1Å; Y180-V362 HydrophobicContact CG-CG1 4.14Å; Y180-T386 HydrophobicContact CE2-CG2 4.21Å; Y180-T386 PolarHBondContact OH-OG1 3.29Å; Y180-T386 VanDerWaalsContact OH-OG1 3.07Å |
| 181 | R | 85.6 | Confident | 80.9 | Confident | 49 Ų | 49 | 34.2 Ų | 34.2 | 19% | 0.185 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.2 | 179.7 | -70.6 | 173.9 | 178.7 | 150.3 | 6.2 | 110.5 | A174 S175 D177 Y183 S337 | A174-R181 PolarHBondContact O-NH1 3.43Å; S175-R181 PolarHBondContact OG-NE 2.92Å; S175-R181 PolarHBondContact OG-NH1 3.44Å; S175-R181 PolarHBondContact OG-NH2 3.18Å; S175-R181 VanDerWaalsContact OG-NH2 3.14Å; D177-R181 IonicContact OD2-NH2 3.75Å; D177-R181 PolarHBondContact OD2-NH2 3.46Å; R181-Y183 HydrophobicContact CB-CE2 4.01Å; R181-S337 WeakPolarHBondContact CA-O 3.38Å; R181-S337 WeakPolarHBondContact CG-OG 3.39Å |
| 182 | I | 86.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.5 | 172.7 | -56.7 | 158.2 | 0 | 0 | 0 | 109.1 | W327 I330 F334 Y336 S337 Y338 S339 Y356 G357 F358 | I182-W327 HydrophobicContact CG2-CH2 4.28Å; I182-W327 HydrophobicContact CG2-CZ3 3.78Å; I182-I330 HydrophobicContact CD1-CG2 3.41Å; I182-I330 VanDerWaalsContact CD1-CG2 3.41Å; I182-I330 HydrophobicContact CG1-CG2 4.23Å; I182-F334 HydrophobicContact CD1-CE2 3.86Å; I182-F334 HydrophobicContact CD1-CZ 4.24Å; I182-F334 HydrophobicContact CG1-CE2 4.22Å; I182-Y336 HydrophobicContact CD1-CD2 3.81Å; I182-Y336 HydrophobicContact CD1-CG 3.83Å; I182-S337 PolarHBondContact N-O 3.36Å; I182-Y338 WeakPolarHBondContact O-CA 3.3Å; I182-S339 PolarHBondContact O-N 2.66Å; I182-S339 VanDerWaalsContact O-O 3.1Å; I182-Y356 HydrophobicContact CG2-CD1 4.05Å; I182-Y356 HydrophobicContact CG2-CG 4.43Å; I182-G357 WeakPolarHBondContact CA-O 3.18Å; I182-F358 HydrophobicContact CG1-CD2 3.79Å; I182-F358 HydrophobicContact CG1-CE2 4.3Å |
| 183 | Y | 83.3 | Confident | 80.4 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.7 | 175.6 | -55.1 | -83.3 | 0 | 0 | 0 | 109.8 | L173 R181 S339 A341 I344 Y356 G357 | L173-Y183 HydrophobicContact CB-CE2 4.46Å; L173-Y183 WeakPolarHBondContact CB-OH 3.31Å; L173-Y183 WeakPolarHBondContact CD1-OH 3.41Å; L173-Y183 HydrophobicContact CG-CE2 4.32Å; L173-Y183 WeakPolarHBondContact CG-OH 3.46Å; R181-Y183 HydrophobicContact CB-CE2 4.01Å; Y183-S339 VanDerWaalsContact CA-O 3.29Å; Y183-S339 WeakPolarHBondContact CA-O 3.47Å; Y183-A341 HydrophobicContact CD1-CB 3.53Å; Y183-A341 HydrophobicContact CE1-CB 4.28Å; Y183-A341 HydrophobicContact CG-CB 3.73Å; Y183-I344 HydrophobicContact CD2-CD1 3.81Å; Y183-I344 HydrophobicContact CE2-CD1 4.48Å; Y183-I344 HydrophobicContact CG-CD1 3.91Å; Y183-Y356 CarbonylContact O-C 3.58Å; Y183-Y356 WeakPolarHBondContact O-CA 3.5Å; Y183-G357 PolarHBondContact N-O 2.82Å; Y183-G357 PolarHBondContact O-N 2.81Å |
| 184 | Y | 78.9 | Confident | 80.4 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 7% | 0.071 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -0.5 | -174.8 | 60.9 | -87.8 | 0 | 0 | 0 | 113.1 | M317 S318 Q320 Y338 S339 V340 | Y184-M317 HydrophobicContact CD2-CB 4.4Å; Y184-M317 HydrophobicContact CD2-CE 3.35Å; Y184-M317 HydrophobicContact CE2-CE 3.19Å; Y184-M317 CarbonylContact O-C 3.34Å; Y184-M317 VanDerWaalsContact O-CA 3.24Å; Y184-M317 WeakPolarHBondContact O-CA 3.5Å; Y184-M317 WeakPolarHBondContact O-CB 3.49Å; Y184-S318 PolarHBondContact O-N 2.97Å; Y184-Q320 PolarHBondContact OH-OE1 2.93Å; Y184-Y338 HydrophobicContact CD1-CD2 4.48Å; Y184-Y338 AromaticContact CE1-CD2 3.82Å; Y184-Y338 HydrophobicContact CE1-CD2 3.82Å; Y184-S339 VanDerWaalsContact CD1-O 3.26Å; Y184-S339 WeakPolarHBondContact CD1-O 3.47Å; Y184-S339 VanDerWaalsContact CE1-O 3.32Å; Y184-S339 WeakPolarHBondContact CE1-O 3.3Å; Y184-V340 HydrophobicContact CD1-CG2 4.27Å; Y184-V340 HydrophobicContact CD2-CG2 4.31Å; Y184-V340 HydrophobicContact CE1-CG2 3.53Å; Y184-V340 HydrophobicContact CE2-CG2 3.57Å; Y184-V340 VanDerWaalsContact OH-CG2 3.23Å; Y184-V340 WeakPolarHBondContact OH-CG2 3.47Å |
| 185 | A | 70.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 167.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S272 M317 V340 A341 | A185-S272 WeakPolarHBondContact CB-O 3.49Å; A185-M317 HydrophobicContact CB-CB 3.53Å; A185-M317 HydrophobicContact CB-CE 4.4Å; A185-V340 HydrophobicContact CB-CB 4.38Å; A185-V340 HydrophobicContact CB-CG1 3.8Å; A185-V340 HydrophobicContact CB-CG2 3.98Å; A185-V340 WeakPolarHBondContact O-CG1 3.25Å; A185-A341 PolarHBondContact O-N 2.78Å |
| 186 | E | 68 | Low | 80.4 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 155.3 | -179.4 | -165 | -156.6 | 174.2 | 0 | 0 | 112.5 | S272 A341 S342 R346 | E186-S272 PolarHBondContact O-N 2.61Å; E186-A341 CarbonylContact C-O 3.51Å; E186-A341 WeakPolarHBondContact CA-O 3.48Å; E186-S342 WeakPolarHBondContact CG-O 3.25Å; E186-R346 WeakPolarHBondContact OE1-CD 3.45Å; E186-R346 IonicContact OE1-CZ 3.76Å; E186-R346 IonicContact OE1-NE 2.67Å; E186-R346 WeakPolarHBondContact OE2-CB 3.4Å; E186-R346 WeakPolarHBondContact OE2-CD 3.41Å; E186-R346 WeakPolarHBondContact OE2-CG 3.32Å; E186-R346 IonicContact OE2-NE 2.66Å |
| 187 | R | 64.3 | Low | 80.3 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.3 | 161.7 | -56.6 | -163.8 | 66.8 | 125.1 | 4.8 | 112.2 | V189 L238 V241 S243 Q269 L270 R271 A341 | R187-V189 PolarHBondContact O-N 3.13Å; R187-L238 PolarHBondContact NH1-O 3.2Å; R187-L238 PolarHBondContact NH2-O 3.2Å; R187-V241 PolarHBondContact NH2-O 2.85Å; R187-S243 PolarHBondContact NH2-OG 2.95Å; R187-S243 VanDerWaalsContact NH2-OG 3.08Å; R187-Q269 HydrophobicContact CB-CG 3.8Å; R187-Q269 VanDerWaalsContact CD-NE2 3.3Å; R187-Q269 HydrophobicContact CG-CG 4.37Å; R187-Q269 VanDerWaalsContact NE-CG 3.26Å; R187-Q269 PolarHBondContact NH2-O 3.12Å; R187-L270 CarbonylContact C-O 3.52Å; R187-L270 WeakPolarHBondContact CA-O 3.13Å; R187-L270 VanDerWaalsContact CB-O 3.32Å; R187-L270 WeakPolarHBondContact CB-O 3.43Å; R187-R271 HydrophobicContact CB-CB 4.35Å; R187-R271 HydrophobicContact CG-CB 3.59Å; R187-R271 HydrophobicContact CG-CG 3.61Å; R187-A341 PolarHBondContact N-O 2.76Å; R187-A341 VanDerWaalsContact N-O 3.08Å |
| 188 | S | 66.9 | Low | 80.4 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 115.5 | 165.3 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | L270 | S188-L270 CarbonylContact C-O 3.51Å; S188-L270 PolarHBondContact N-O 3.43Å; S188-L270 WeakPolarHBondContact O-CA 3.44Å; S188-L270 WeakPolarHBondContact O-CB 2.95Å; S188-L270 PolarHBondContact O-N 3.13Å; S188-L270 VanDerWaalsContact O-O 3.09Å |
| 189 | V | 68.3 | Low | 80.5 | Confident | 34 Ų | 34 | 30.8 Ų | 30.8 | 21% | 0.206 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.1 | 177.7 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | R187 W191 Y267 Q269 | R187-V189 PolarHBondContact O-N 3.13Å; V189-W191 VanDerWaalsContact CG1-CD1 3.47Å; V189-W191 VanDerWaalsContact CG1-NE1 3.33Å; V189-Y267 HydrophobicContact CG1-CD2 4.09Å; V189-Y267 HydrophobicContact CG1-CE2 3.77Å; V189-Q269 HydrophobicContact CG2-CG 4.12Å |
| 190 | W | 72 | Confident | 80.7 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 115.1 | 174.7 | -80.2 | 27.8 | 0 | 0 | 0 | 109.4 | L192 V268 L270 F281 L284 L288 K301 | W190-L192 HydrophobicContact CB-CD2 4.37Å; W190-L192 HydrophobicContact CB-CG 4.4Å; W190-L192 HydrophobicContact CE3-CD2 4.11Å; W190-V268 HydrophobicContact CB-CB 4.07Å; W190-V268 HydrophobicContact CB-CG1 4.48Å; W190-V268 PolarHBondContact N-O 3.14Å; W190-V268 PolarHBondContact O-N 2.91Å; W190-L270 HydrophobicContact CD2-CD1 4.19Å; W190-L270 HydrophobicContact CG-CD1 4.32Å; W190-F281 AromaticContact CE2-CD1 3.98Å; W190-F281 HydrophobicContact CH2-CD1 4.45Å; W190-F281 AromaticContact CZ2-CD1 3.6Å; W190-F281 HydrophobicContact CZ2-CD1 3.6Å; W190-F281 HydrophobicContact CZ2-CE1 4.27Å; W190-F281 AromaticContact NE1-CE1 3.8Å; W190-L284 HydrophobicContact CD2-CD2 4.31Å; W190-L284 HydrophobicContact CE3-CD2 3.68Å; W190-L284 HydrophobicContact CE3-CG 4.46Å; W190-L284 HydrophobicContact CH2-CD2 4.46Å; W190-L284 HydrophobicContact CZ3-CD2 3.74Å; W190-L284 HydrophobicContact CZ3-CG 4.12Å; W190-L288 HydrophobicContact CE3-CD1 4.12Å; W190-L288 HydrophobicContact CZ3-CD1 3.79Å; W190-K301 VanDerWaalsContact CH2-NZ 3.3Å |
| 191 | W | 73.7 | Confident | 80.7 | Confident | 88 Ų | 88 | 30.5 Ų | 30.5 | 33% | 0.333 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.8 | 170.7 | -66.3 | 16.9 | 0 | 0 | 0 | 108.3 | V189 K266 E302 F305 | V189-W191 VanDerWaalsContact CG1-CD1 3.47Å; V189-W191 VanDerWaalsContact CG1-NE1 3.33Å; W191-K266 WeakPolarHBondContact CA-O 3.08Å; W191-E302 HydrophobicContact CB-CB 4.29Å; W191-E302 PolarHBondContact O-N 3.15Å; W191-F305 HydrophobicContact CD2-CB 4.03Å; W191-F305 AromaticContact CD2-CD2 3.97Å; W191-F305 HydrophobicContact CD2-CD2 3.97Å; W191-F305 HydrophobicContact CD2-CG 4.31Å; W191-F305 AromaticContact CE2-CD2 3.82Å; W191-F305 AromaticContact CE2-CG 3.97Å; W191-F305 AromaticContact CE3-CD2 3.83Å; W191-F305 HydrophobicContact CE3-CD2 3.83Å; W191-F305 HydrophobicContact CG-CB 4.19Å; W191-F305 AromaticContact CH2-CD2 3.4Å; W191-F305 HydrophobicContact CH2-CD2 3.4Å; W191-F305 AromaticContact CH2-CE2 3.49Å; W191-F305 HydrophobicContact CH2-CE2 3.49Å; W191-F305 VanDerWaalsContact CH2-CE2 3.49Å; W191-F305 HydrophobicContact CH2-CG 4.26Å; W191-F305 HydrophobicContact CH2-CZ 4.41Å; W191-F305 HydrophobicContact CZ2-CB 4.41Å; W191-F305 AromaticContact CZ2-CD2 3.54Å; W191-F305 HydrophobicContact CZ2-CD2 3.54Å; W191-F305 AromaticContact CZ2-CE2 3.92Å; W191-F305 HydrophobicContact CZ2-CE2 3.92Å; W191-F305 AromaticContact CZ2-CG 3.94Å; W191-F305 HydrophobicContact CZ2-CG 3.94Å; W191-F305 AromaticContact CZ3-CD2 3.56Å; W191-F305 HydrophobicContact CZ3-CD2 3.56Å; W191-F305 AromaticContact CZ3-CE2 3.88Å; W191-F305 HydrophobicContact CZ3-CE2 3.88Å |
| 192 | L | 78.1 | Confident | 81.1 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.2 | -175.9 | -58 | -178.9 | 0 | 0 | 0 | 109.7 | W190 I194 S265 K266 V268 L288 K301 | W190-L192 HydrophobicContact CB-CD2 4.37Å; W190-L192 HydrophobicContact CB-CG 4.4Å; W190-L192 HydrophobicContact CE3-CD2 4.11Å; L192-I194 HydrophobicContact CB-CG1 4.37Å; L192-S265 CarbonylContact O-C 3.6Å; L192-S265 WeakPolarHBondContact O-CA 3.33Å; L192-K266 HydrophobicContact CB-CB 4.45Å; L192-K266 PolarHBondContact N-O 3.44Å; L192-K266 PolarHBondContact O-N 3.26Å; L192-V268 HydrophobicContact CD1-CB 4.4Å; L192-V268 HydrophobicContact CD1-CG2 3.72Å; L192-V268 HydrophobicContact CG-CG2 4.37Å; L192-L288 HydrophobicContact CD1-CD1 3.77Å; L192-L288 HydrophobicContact CD1-CD2 4.01Å; L192-L288 HydrophobicContact CD2-CD1 4.29Å; L192-K301 HydrophobicContact CD2-CG 3.88Å |
| 193 | R | 83 | Confident | 81.1 | Confident | 90 Ų | 90 | 34.7 Ų | 34.7 | 34% | 0.34 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 113.7 | 163.2 | 176 | 177.4 | -74 | -112.4 | -1.3 | 108.5 | I195 V263 A264 K300 E302 | R193-I195 HydrophobicContact CG-CG1 4.27Å; R193-V263 HydrophobicContact CG-CG1 3.98Å; R193-A264 CarbonylContact C-O 3.59Å; R193-A264 WeakPolarHBondContact CA-O 3.33Å; R193-K300 HydrophobicContact CB-CB 4.35Å; R193-K300 PolarHBondContact N-O 3.36Å; R193-K300 PolarHBondContact O-N 3.1Å; R193-K300 VanDerWaalsContact O-O 3.08Å; R193-E302 HydrophobicContact CB-CG 3.98Å; R193-E302 IonicContact CZ-OE1 2.77Å; R193-E302 IonicContact NE-OE1 2.65Å; R193-E302 PolarHBondContact NE-OE1 3.12Å; R193-E302 IonicContact NH2-OE1 3.12Å; R193-E302 PolarHBondContact NH2-OE1 2.84Å; R193-E302 VanDerWaalsContact NH2-OE1 3.1Å |
| 194 | I | 85.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.6 | 177.3 | -52.9 | 179.8 | 0 | 0 | 0 | 107.8 | L192 L215 A264 K266 W291 L297 V299 | L192-I194 HydrophobicContact CB-CG1 4.37Å; I194-L215 HydrophobicContact CB-CD1 4.1Å; I194-L215 HydrophobicContact CG2-CD1 3.68Å; I194-A264 PolarHBondContact N-O 3.1Å; I194-A264 PolarHBondContact O-N 2.97Å; I194-K266 HydrophobicContact CD1-CD 3.98Å; I194-W291 HydrophobicContact CD1-CE3 4.15Å; I194-W291 HydrophobicContact CD1-CZ3 3.8Å; I194-L297 HydrophobicContact CG2-CB 4.13Å; I194-L297 HydrophobicContact CG2-CD1 4.41Å; I194-V299 HydrophobicContact CG1-CG1 4.32Å; I194-V299 HydrophobicContact CG1-CG2 4.32Å; I194-V299 HydrophobicContact CG2-CG2 4.26Å |
| 195 | I | 88 | Confident | 82 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 116.6 | 174.7 | -53.4 | 176.5 | 0 | 0 | 0 | 107.2 | R193 F262 V263 L297 L298 | R193-I195 HydrophobicContact CG-CG1 4.27Å; I195-F262 WeakPolarHBondContact CA-O 3.43Å; I195-V263 HydrophobicContact CG1-CG1 4.33Å; I195-V263 HydrophobicContact CG1-CG2 4.22Å; I195-V263 HydrophobicContact CG2-CG2 4.39Å; I195-L297 CarbonylContact O-C 3.47Å; I195-L298 HydrophobicContact CB-CB 4.21Å; I195-L298 HydrophobicContact CD1-CD2 4.06Å; I195-L298 PolarHBondContact N-O 2.9Å; I195-L298 PolarHBondContact O-N 3.34Å |
| 196 | A | 89.9 | Confident | 83 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A211 L215 H261 F262 L297 | A196-A211 HydrophobicContact CB-CB 4.25Å; A196-A211 WeakPolarHBondContact CB-O 3.06Å; A196-A211 WeakPolarHBondContact O-CB 3.41Å; A196-L215 HydrophobicContact CB-CB 3.77Å; A196-L215 HydrophobicContact CB-CD1 4.43Å; A196-L215 HydrophobicContact CB-CD2 4.28Å; A196-L215 HydrophobicContact CB-CG 4.39Å; A196-H261 CarbonylContact O-C 3.58Å; A196-H261 VanDerWaalsContact O-CA 3.23Å; A196-H261 WeakPolarHBondContact O-CA 3.2Å; A196-F262 PolarHBondContact N-O 2.82Å; A196-F262 PolarHBondContact O-N 3.5Å; A196-L297 HydrophobicContact CB-CD2 3.29Å |
| 197 | S | 90.2 | Very high | 84.2 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 44% | 0.441 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145.3 | 172.1 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | K214 S260 | S197-K214 PolarHBondContact O-NZ 3.12Å; S197-K214 VanDerWaalsContact O-NZ 3.12Å; S197-S260 CarbonylContact C-O 3.6Å; S197-S260 WeakPolarHBondContact CA-O 3.33Å |
| 198 | G | 90.6 | Very high | 85.5 | Confident | 16 Ų | 16 | 61 Ų | 61 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | trans | -164.8 | -178.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A200 N209 S260 | G198-A200 PolarHBondContact O-N 2.8Å; G198-N209 WeakPolarHBondContact CA-O 2.82Å; G198-S260 PolarHBondContact N-O 3.12Å; G198-S260 WeakPolarHBondContact O-CA 3.09Å | ||
| 199 | N | 91.5 | Very high | 86.5 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | trans | -70.7 | 132.4 | -176.9 | -64.3 | -23.9 | 0 | 0 | 0 | 110.4 | I207 E208 N209 | N199-I207 HydrophobicContact CB-CG2 3.52Å; N199-E208 WeakPolarHBondContact CB-O 3.35Å; N199-E208 PolarHBondContact ND2-O 3.35Å; N199-N209 PolarHBondContact N-O 3.01Å; N199-N209 VanDerWaalsContact N-O 3.13Å | ||
| 200 | A | 91.9 | Very high | 87.7 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | trans | -91 | 161.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G198 V258 | G198-A200 PolarHBondContact O-N 2.8Å; A200-V258 VanDerWaalsContact CA-O 3.29Å; A200-V258 WeakPolarHBondContact CA-O 3.45Å; A200-V258 VanDerWaalsContact CB-O 3.29Å; A200-V258 WeakPolarHBondContact CB-O 3.32Å | ||
| 201 | G | 89.6 | Confident | 88.5 | Confident | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | -179.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V258 | G201-V258 PolarHBondContact O-N 3.48Å |
| 202 | H | 92.1 | Very high | 89.3 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 136.3 | 175.9 | -162.4 | -92.4 | 0 | 0 | 0 | 109.9 | S204 Q205 N256 | H202-S204 WeakPolarHBondContact ND1-CB 3.29Å; H202-S204 PolarHBondContact ND1-N 3.46Å; H202-S204 PolarHBondContact ND1-OG 3Å; H202-S204 PolarHBondContact O-N 3.02Å; H202-Q205 PolarHBondContact O-N 2.84Å; H202-N256 PolarHBondContact NE2-ND2 2.89Å |
| 203 | G | 87.7 | Confident | 89.9 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q205 N256 | G203-Q205 VanDerWaalsContact C-N 3.34Å; G203-N256 PolarHBondContact N-O 2.78Å |
| 204 | S | 89.8 | Confident | 90.2 | Very high | 96 Ų | 96 | 61.7 Ų | 61.7 | 67% | 0.671 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.2 | 173.3 | 69.2 | 0 | 0 | 0 | 0 | 114 | H202 | H202-S204 WeakPolarHBondContact ND1-CB 3.29Å; H202-S204 PolarHBondContact ND1-N 3.46Å; H202-S204 PolarHBondContact ND1-OG 3Å; H202-S204 PolarHBondContact O-N 3.02Å |
| 205 | Q | 90.7 | Very high | 90.2 | Very high | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -108.5 | 148.3 | -178.3 | -63.7 | -178.3 | -5.7 | 0 | 0 | 110.9 | H202 G203 I207 | H202-Q205 PolarHBondContact O-N 2.84Å; G203-Q205 VanDerWaalsContact C-N 3.34Å; Q205-I207 VanDerWaalsContact C-N 3.27Å; Q205-I207 HydrophobicContact CB-CD1 3.69Å; Q205-I207 HydrophobicContact CB-CG1 4.27Å; Q205-I207 PolarHBondContact O-N 2.79Å |
| 206 | F | 92.4 | Very high | 90.2 | Very high | 215 Ų | 215 | 62.9 Ų | 62.9 | 94% | 0.943 | 36% | 0.359 | S | S | * | . | trans | -79.1 | 77.5 | 169.9 | -71.5 | -71.4 | 0 | 0 | 0 | 110.3 | E208 | F206-E208 PolarHBondContact O-N 3.39Š| ||
| 207 | I | 91.6 | Very high | 90.2 | Very high | 34 Ų | 34 | 68.9 Ų | 68.9 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | trans | -70.6 | 121 | 177.3 | -52.5 | -57.7 | 0 | 0 | 0 | 109.1 | N199 Q205 T210 V258 | N199-I207 HydrophobicContact CB-CG2 3.52Å; Q205-I207 VanDerWaalsContact C-N 3.27Å; Q205-I207 HydrophobicContact CB-CD1 3.69Å; Q205-I207 HydrophobicContact CB-CG1 4.27Å; Q205-I207 PolarHBondContact O-N 2.79Å; I207-T210 HydrophobicContact CB-CG2 4.09Å; I207-T210 HydrophobicContact CG2-CG2 4.14Å; I207-T210 WeakPolarHBondContact O-CG2 3.47Å; I207-V258 HydrophobicContact CG1-CB 4.45Å; I207-V258 HydrophobicContact CG1-CG2 4.01Å | ||
| 208 | E | 91.8 | Very high | 90 | Very high | 147 Ų | 147 | 67.2 Ų | 67.2 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -79.3 | 155.5 | 175.1 | -62.5 | -171.8 | 167.2 | 0 | 0 | 111.7 | N199 F206 T210 | N199-E208 WeakPolarHBondContact CB-O 3.35Å; N199-E208 PolarHBondContact ND2-O 3.35Å; F206-E208 PolarHBondContact O-N 3.39Å; E208-T210 VanDerWaalsContact C-N 3.35Å; E208-T210 PolarHBondContact O-N 2.96Å |
| 209 | N | 89.7 | Confident | 89.7 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 59.4 | 39.7 | 174.8 | -68.6 | -58.3 | 0 | 0 | 0 | 114 | G198 N199 K214 | G198-N209 WeakPolarHBondContact CA-O 2.82Å; N199-N209 PolarHBondContact N-O 3.01Å; N199-N209 VanDerWaalsContact N-O 3.13Å; N209-K214 VanDerWaalsContact O-CE 3.29Å; N209-K214 WeakPolarHBondContact O-CE 3.45Å |
| 210 | T | 91.7 | Very high | 89.6 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 14% | 0.135 | 36% | 0.357 | C | S | . | . | trans | -67.7 | 153.3 | 177.7 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | I207 E208 A212 E213 K214 V258 | I207-T210 HydrophobicContact CB-CG2 4.09Å; I207-T210 HydrophobicContact CG2-CG2 4.14Å; I207-T210 WeakPolarHBondContact O-CG2 3.47Å; E208-T210 VanDerWaalsContact C-N 3.35Å; E208-T210 PolarHBondContact O-N 2.96Å; T210-A212 VanDerWaalsContact C-N 3.27Å; T210-A212 PolarHBondContact O-N 2.79Å; T210-E213 PolarHBondContact O-N 3.01Å; T210-E213 VanDerWaalsContact OG1-CB 3.26Å; T210-E213 WeakPolarHBondContact OG1-CB 3.05Å; T210-E213 PolarHBondContact OG1-N 2.56Å; T210-E213 VanDerWaalsContact OG1-N 3.15Å; T210-K214 WeakPolarHBondContact O-CG 3.19Å; T210-K214 PolarHBondContact O-N 2.95Å; T210-V258 HydrophobicContact CG2-CG1 3.72Å | ||
| 211 | A | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A196 L215 F262 | A196-A211 HydrophobicContact CB-CB 4.25Å; A196-A211 WeakPolarHBondContact CB-O 3.06Å; A196-A211 WeakPolarHBondContact O-CB 3.41Å; A211-L215 VanDerWaalsContact O-CB 3.31Å; A211-L215 WeakPolarHBondContact O-CB 2.86Å; A211-L215 PolarHBondContact O-N 3.15Å; A211-F262 HydrophobicContact CB-CB 4.43Å; A211-F262 HydrophobicContact CB-CD2 3.99Å |
| 212 | A | 89.9 | Confident | 89.4 | Confident | 35 Ų | 35 | 67 Ų | 67 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T210 K214 L215 V216 F262 | T210-A212 VanDerWaalsContact C-N 3.27Å; T210-A212 PolarHBondContact O-N 2.79Å; A212-K214 PolarHBondContact O-N 3.35Å; A212-L215 PolarHBondContact O-N 2.94Å; A212-V216 VanDerWaalsContact O-CB 3.28Å; A212-V216 WeakPolarHBondContact O-CB 2.98Å; A212-V216 VanDerWaalsContact O-CG2 3.23Å; A212-V216 WeakPolarHBondContact O-CG2 3.33Å; A212-V216 PolarHBondContact O-N 2.87Å; A212-F262 HydrophobicContact CB-CD2 3.9Å; A212-F262 HydrophobicContact CB-CE2 3.72Å; A212-F262 HydrophobicContact CB-CZ 4.48Å |
| 213 | E | 90.1 | Very high | 89.1 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.5 | -49.6 | -177.2 | -172.6 | -167.6 | 164.2 | 0 | 0 | 111.5 | T210 L215 R217 | T210-E213 PolarHBondContact O-N 3.01Å; T210-E213 VanDerWaalsContact OG1-CB 3.26Å; T210-E213 WeakPolarHBondContact OG1-CB 3.05Å; T210-E213 PolarHBondContact OG1-N 2.56Å; T210-E213 VanDerWaalsContact OG1-N 3.15Å; E213-L215 VanDerWaalsContact C-N 3.31Å; E213-L215 PolarHBondContact O-N 3.04Å; E213-R217 WeakPolarHBondContact O-CB 3.23Å; E213-R217 PolarHBondContact O-N 3.25Å; E213-R217 IonicContact OE1-NH1 3.61Å |
| 214 | K | 88.6 | Confident | 89.3 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 13% | 0.13 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 179.3 | -64.8 | -179.1 | -167.1 | 172.7 | 0 | 111.7 | S197 N209 T210 A212 K218 A295 L297 | S197-K214 PolarHBondContact O-NZ 3.12Å; S197-K214 VanDerWaalsContact O-NZ 3.12Å; N209-K214 VanDerWaalsContact O-CE 3.29Å; N209-K214 WeakPolarHBondContact O-CE 3.45Å; T210-K214 WeakPolarHBondContact O-CG 3.19Å; T210-K214 PolarHBondContact O-N 2.95Å; A212-K214 PolarHBondContact O-N 3.35Å; K214-K218 PolarHBondContact O-N 3.3Å; K214-A295 WeakPolarHBondContact CD-O 3.43Å; K214-L297 HydrophobicContact CB-CD2 4.22Å |
| 215 | L | 86.8 | Confident | 89.4 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.9 | -50.7 | -177.8 | -178.6 | 59.8 | 0 | 0 | 0 | 112.8 | I194 A196 A211 A212 E213 F219 L249 F262 A264 | I194-L215 HydrophobicContact CB-CD1 4.1Å; I194-L215 HydrophobicContact CG2-CD1 3.68Å; A196-L215 HydrophobicContact CB-CB 3.77Å; A196-L215 HydrophobicContact CB-CD1 4.43Å; A196-L215 HydrophobicContact CB-CD2 4.28Å; A196-L215 HydrophobicContact CB-CG 4.39Å; A211-L215 VanDerWaalsContact O-CB 3.31Å; A211-L215 WeakPolarHBondContact O-CB 2.86Å; A211-L215 PolarHBondContact O-N 3.15Å; A212-L215 PolarHBondContact O-N 2.94Å; E213-L215 VanDerWaalsContact C-N 3.31Å; E213-L215 PolarHBondContact O-N 3.04Å; L215-F219 WeakPolarHBondContact O-CB 2.83Å; L215-F219 PolarHBondContact O-N 3.19Å; L215-F219 VanDerWaalsContact O-N 3.14Å; L215-L249 HydrophobicContact CD2-CD1 3.76Å; L215-F262 HydrophobicContact CD2-CB 3.89Å; L215-A264 HydrophobicContact CD1-CB 4.12Å; L215-A264 HydrophobicContact CD2-CB 3.8Å; L215-A264 HydrophobicContact CG-CB 4.38Å |
| 216 | V | 87.3 | Confident | 89.2 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | -176.4 | 170.2 | 0 | 0 | 0 | 0 | 109.5 | A212 F219 F220 | A212-V216 VanDerWaalsContact O-CB 3.28Å; A212-V216 WeakPolarHBondContact O-CB 2.98Å; A212-V216 VanDerWaalsContact O-CG2 3.23Å; A212-V216 WeakPolarHBondContact O-CG2 3.33Å; A212-V216 PolarHBondContact O-N 2.87Å; V216-F219 PolarHBondContact O-N 3.1Å; V216-F220 HydrophobicContact CB-CD2 4.45Å; V216-F220 HydrophobicContact CG1-CD2 3.59Å; V216-F220 HydrophobicContact CG1-CE2 3.9Å; V216-F220 WeakPolarHBondContact O-CD2 3.41Å; V216-F220 PolarHBondContact O-N 2.77Å |
| 217 | R | 89.2 | Confident | 89.1 | Confident | 127 Ų | 127 | 62.4 Ų | 62.4 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.5 | -59.5 | 179.8 | -175.8 | 175.5 | 69.4 | -164.3 | 5.1 | 111.7 | E213 F219 F220 E221 | E213-R217 WeakPolarHBondContact O-CB 3.23Å; E213-R217 PolarHBondContact O-N 3.25Å; E213-R217 IonicContact OE1-NH1 3.61Å; R217-F219 VanDerWaalsContact C-N 3.29Å; R217-F219 PolarHBondContact O-N 3.2Å; R217-F220 PolarHBondContact O-N 2.89Å; R217-E221 VanDerWaalsContact O-CB 3.22Å; R217-E221 WeakPolarHBondContact O-CB 3.46Å; R217-E221 PolarHBondContact O-N 3.41Å |
| 218 | K | 86.7 | Confident | 89.1 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | -177.5 | -71.4 | -62.1 | -167.3 | 175.9 | 0 | 112.1 | K214 L222 W291 E294 A295 L297 | K214-K218 PolarHBondContact O-N 3.3Å; K218-L222 PolarHBondContact O-N 2.94Å; K218-W291 HydrophobicContact CB-CD2 4.04Å; K218-W291 HydrophobicContact CB-CG 4.4Å; K218-W291 HydrophobicContact CB-CZ2 4.02Å; K218-W291 HydrophobicContact CG-CG 4.43Å; K218-W291 WeakPolarHBondContact O-CZ2 3.39Å; K218-E294 IonicContact NZ-OE2 3.67Å; K218-E294 PolarHBondContact NZ-OE2 3.41Å; K218-A295 HydrophobicContact CG-CB 4.4Å; K218-L297 HydrophobicContact CB-CD1 4.44Å; K218-L297 HydrophobicContact CG-CD1 4.39Å |
| 219 | F | 84.5 | Confident | 89 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -50.5 | -179.6 | -178.7 | -101.9 | 0 | 0 | 0 | 113.6 | L215 V216 R217 E221 L222 R223 V244 L246 K266 | L215-F219 WeakPolarHBondContact O-CB 2.83Å; L215-F219 PolarHBondContact O-N 3.19Å; L215-F219 VanDerWaalsContact O-N 3.14Å; V216-F219 PolarHBondContact O-N 3.1Å; R217-F219 VanDerWaalsContact C-N 3.29Å; R217-F219 PolarHBondContact O-N 3.2Å; F219-E221 VanDerWaalsContact C-N 3.31Å; F219-L222 PolarHBondContact O-N 3.18Å; F219-R223 PolarHBondContact O-N 2.95Å; F219-R223 VanDerWaalsContact O-N 3.1Å; F219-V244 HydrophobicContact CD2-CG1 3.72Å; F219-V244 HydrophobicContact CE1-CG1 4.43Å; F219-V244 HydrophobicContact CE2-CB 4.47Å; F219-V244 HydrophobicContact CE2-CG1 3.12Å; F219-V244 HydrophobicContact CZ-CG1 3.51Å; F219-L246 HydrophobicContact CD1-CB 4.17Å; F219-L246 HydrophobicContact CE1-CB 3.49Å; F219-L246 VanDerWaalsContact CE1-CB 3.49Å; F219-L246 HydrophobicContact CZ-CB 3.7Å; F219-K266 VanDerWaalsContact CB-NZ 3.28Å; F219-K266 HydrophobicContact CD2-CD 3.46Å; F219-K266 VanDerWaalsContact CD2-CD 3.46Å; F219-K266 HydrophobicContact CE2-CD 3.29Å; F219-K266 HydrophobicContact CE2-CG 3.91Å; F219-K266 HydrophobicContact CG-CD 4.4Å; F219-K266 HydrophobicContact CZ-CD 4.22Å |
| 220 | F | 88.3 | Confident | 88.7 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -74.5 | -24.3 | -178.6 | -77.6 | -75.1 | 0 | 0 | 0 | 112.5 | V216 R217 R223 K224 | V216-F220 HydrophobicContact CB-CD2 4.45Å; V216-F220 HydrophobicContact CG1-CD2 3.59Å; V216-F220 HydrophobicContact CG1-CE2 3.9Å; V216-F220 WeakPolarHBondContact O-CD2 3.41Å; V216-F220 PolarHBondContact O-N 2.77Å; R217-F220 PolarHBondContact O-N 2.89Å; F220-R223 PolarHBondContact O-N 3Å; F220-K224 WeakPolarHBondContact O-CB 3.41Å; F220-K224 PolarHBondContact O-N 3.39Å |
| 221 | E | 90.9 | Very high | 88.6 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -50.7 | 169.4 | -170.1 | -157.6 | 134.3 | 0 | 0 | 111.3 | R217 F219 K224 Q225 R287 | R217-E221 VanDerWaalsContact O-CB 3.22Å; R217-E221 WeakPolarHBondContact O-CB 3.46Å; R217-E221 PolarHBondContact O-N 3.41Å; F219-E221 VanDerWaalsContact C-N 3.31Å; E221-K224 PolarHBondContact O-N 2.82Å; E221-Q225 VanDerWaalsContact O-CG 3.31Å; E221-Q225 WeakPolarHBondContact O-CG 3.29Å; E221-Q225 PolarHBondContact O-N 3.36Å; E221-Q225 PolarHBondContact OE1-NE2 2.86Å; E221-R287 IonicContact OE1-NH2 3.51Å; E221-R287 PolarHBondContact OE1-NH2 3.25Å; E221-R287 VanDerWaalsContact OE1-NH2 3.12Å |
| 222 | L | 86.3 | Confident | 88.6 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 176.1 | 172.9 | 63 | 0 | 0 | 0 | 111.2 | K218 F219 K224 Q225 E226 V244 L284 W291 | K218-L222 PolarHBondContact O-N 2.94Å; F219-L222 PolarHBondContact O-N 3.18Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 2.96Å; L222-Q225 PolarHBondContact O-N 2.71Å; L222-E226 HydrophobicContact CD1-CG 4.05Å; L222-E226 WeakPolarHBondContact O-CG 3.15Å; L222-E226 PolarHBondContact O-N 2.81Å; L222-E226 VanDerWaalsContact O-N 3.07Å; L222-V244 HydrophobicContact CD2-CG1 4.15Å; L222-V244 HydrophobicContact CD2-CG2 3.84Å; L222-V244 HydrophobicContact CG-CG1 4.43Å; L222-V244 HydrophobicContact CG-CG2 3.96Å; L222-L284 HydrophobicContact CD2-CD1 4.25Å; L222-W291 HydrophobicContact CB-CH2 4.23Å; L222-W291 HydrophobicContact CB-CZ2 4Å; L222-W291 HydrophobicContact CD2-CH2 3.8Å; L222-W291 HydrophobicContact CD2-CZ2 4.07Å |
| 223 | R | 87.2 | Confident | 88.3 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 177.4 | -178.6 | -178.1 | 177.2 | 79.6 | -7.1 | 111.9 | F219 F220 K227 V244 N245 | F219-R223 PolarHBondContact O-N 2.95Å; F219-R223 VanDerWaalsContact O-N 3.1Å; F220-R223 PolarHBondContact O-N 3Å; R223-K227 WeakPolarHBondContact O-CB 3.24Å; R223-K227 PolarHBondContact O-N 3.19Å; R223-V244 HydrophobicContact CB-CB 4.4Å; R223-V244 PolarHBondContact NH1-O 2.72Å; R223-N245 PolarHBondContact NH1-OD1 3.49Å |
| 224 | K | 92.3 | Very high | 87.9 | Confident | 143 Ų | 143 | 77.6 Ų | 77.6 | 62% | 0.622 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 179.9 | -177.5 | 178.1 | 178.4 | -179.1 | 0 | 111 | F220 E221 L222 E226 K227 L228 | F220-K224 WeakPolarHBondContact O-CB 3.41Å; F220-K224 PolarHBondContact O-N 3.39Å; E221-K224 PolarHBondContact O-N 2.82Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 2.96Å; K224-E226 PolarHBondContact O-N 2.99Å; K224-K227 PolarHBondContact O-N 2.76Å; K224-L228 HydrophobicContact CG-CD1 3.97Å; K224-L228 HydrophobicContact CG-CG 4.38Å; K224-L228 WeakPolarHBondContact O-CB 3.29Å; K224-L228 VanDerWaalsContact O-CG 3.27Å; K224-L228 WeakPolarHBondContact O-CG 3.26Å; K224-L228 PolarHBondContact O-N 3.27Å |
| 225 | Q | 91 | Very high | 87.4 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 179 | -73.9 | 168.4 | 0.4 | 0 | 0 | 112.1 | E221 L222 L228 K229 | E221-Q225 VanDerWaalsContact O-CG 3.31Å; E221-Q225 WeakPolarHBondContact O-CG 3.29Å; E221-Q225 PolarHBondContact O-N 3.36Å; E221-Q225 PolarHBondContact OE1-NE2 2.86Å; L222-Q225 PolarHBondContact O-N 2.71Å; Q225-L228 PolarHBondContact O-N 2.92Å; Q225-K229 WeakPolarHBondContact O-CB 3.22Å; Q225-K229 PolarHBondContact O-N 2.79Å |
| 226 | E | 86.9 | Confident | 86.9 | Confident | 25 Ų | 25 | 84.7 Ų | 84.7 | 12% | 0.117 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.4 | -38.5 | 179.1 | -66.7 | -67.7 | 152.5 | 0 | 0 | 112.3 | L222 K224 K229 L230 V241 I242 | L222-E226 HydrophobicContact CD1-CG 4.05Å; L222-E226 WeakPolarHBondContact O-CG 3.15Å; L222-E226 PolarHBondContact O-N 2.81Å; L222-E226 VanDerWaalsContact O-N 3.07Å; K224-E226 PolarHBondContact O-N 2.99Å; E226-K229 PolarHBondContact O-N 2.75Å; E226-L230 PolarHBondContact O-N 3.44Å; E226-L230 VanDerWaalsContact O-N 3.09Å; E226-V241 WeakPolarHBondContact OE2-CA 3.38Å; E226-V241 WeakPolarHBondContact OE2-CB 3.14Å; E226-I242 VanDerWaalsContact CB-O 3.25Å; E226-I242 WeakPolarHBondContact CB-O 3.42Å; E226-I242 HydrophobicContact CG-CB 3.88Å; E226-I242 HydrophobicContact CG-CG1 4.36Å; E226-I242 WeakPolarHBondContact CG-O 3.38Å; E226-I242 PolarHBondContact OE2-N 2.86Å |
| 227 | K | 88.9 | Confident | 86.2 | Confident | 130 Ų | 130 | 84.2 Ų | 84.2 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 173.3 | -171.6 | 178 | -178.8 | -178 | 0 | 111.5 | R223 K224 L230 M231 | R223-K227 WeakPolarHBondContact O-CB 3.24Å; R223-K227 PolarHBondContact O-N 3.19Å; K224-K227 PolarHBondContact O-N 2.76Å; K227-L230 PolarHBondContact O-N 2.9Å; K227-M231 HydrophobicContact CD-SD 4.41Å; K227-M231 HydrophobicContact CG-CG 4.49Å; K227-M231 HydrophobicContact CG-SD 4Å; K227-M231 VanDerWaalsContact O-CG 3.32Å; K227-M231 WeakPolarHBondContact O-CG 3.4Å; K227-M231 PolarHBondContact O-N 3.22Å |
| 228 | L | 92.8 | Very high | 85.2 | Confident | 94 Ų | 94 | 83 Ų | 83 | 49% | 0.492 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.7 | -76.3 | 172.5 | 0 | 0 | 0 | 111.5 | K224 Q225 L230 M231 S232 | K224-L228 HydrophobicContact CG-CD1 3.97Å; K224-L228 HydrophobicContact CG-CG 4.38Å; K224-L228 WeakPolarHBondContact O-CB 3.29Å; K224-L228 VanDerWaalsContact O-CG 3.27Å; K224-L228 WeakPolarHBondContact O-CG 3.26Å; K224-L228 PolarHBondContact O-N 3.27Å; Q225-L228 PolarHBondContact O-N 2.92Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 3.34Å; L228-M231 PolarHBondContact O-N 2.98Å; L228-S232 VanDerWaalsContact O-CB 3.28Å; L228-S232 WeakPolarHBondContact O-CB 3.41Å; L228-S232 PolarHBondContact O-N 3.07Å; L228-S232 PolarHBondContact O-OG 3.2Å |
| 229 | K | 88.5 | Confident | 84.3 | Confident | 81 Ų | 81 | 81.7 Ų | 81.7 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.4 | -45.8 | 174 | -176.8 | -177.7 | 176.1 | -155.1 | 0 | 111.3 | Q225 E226 S232 L236 D240 V241 | Q225-K229 WeakPolarHBondContact O-CB 3.22Å; Q225-K229 PolarHBondContact O-N 2.79Å; E226-K229 PolarHBondContact O-N 2.75Å; K229-S232 PolarHBondContact O-OG 3.27Å; K229-L236 HydrophobicContact CD-CD1 4.37Å; K229-L236 HydrophobicContact CG-CD1 3.67Å; K229-L236 WeakPolarHBondContact O-CD1 3.47Å; K229-D240 PolarHBondContact NZ-O 3.08Å; K229-V241 HydrophobicContact CB-CG1 4.22Å; K229-V241 HydrophobicContact CD-CG1 4.03Å; K229-V241 HydrophobicContact CG-CG1 4.08Å |
| 230 | L | 84.3 | Confident | 83.7 | Confident | 47 Ų | 47 | 84 Ų | 84 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 176.9 | -177.7 | 61.1 | 0 | 0 | 0 | 112.3 | E226 K227 L228 L236 S237 L238 V241 | E226-L230 PolarHBondContact O-N 3.44Å; E226-L230 VanDerWaalsContact O-N 3.09Å; K227-L230 PolarHBondContact O-N 2.9Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 3.34Å; L230-L236 HydrophobicContact CD1-CB 4.28Å; L230-L236 WeakPolarHBondContact CD1-O 3.49Å; L230-S237 VanDerWaalsContact CD1-O 3.3Å; L230-S237 WeakPolarHBondContact CD1-O 3.46Å; L230-L238 HydrophobicContact CD2-CD1 3.84Å; L230-V241 HydrophobicContact CB-CG1 3.9Å; L230-V241 HydrophobicContact CB-CG2 4.22Å; L230-V241 HydrophobicContact CD1-CG1 4.49Å; L230-V241 HydrophobicContact CD1-CG2 4.46Å; L230-V241 HydrophobicContact CD2-CG2 4.3Å |
| 231 | M | 89.5 | Confident | 83.1 | Confident | 137 Ų | 137 | 79.8 Ų | 79.8 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -73.9 | -29.2 | -176.5 | -69.8 | 178.3 | 67 | 0 | 0 | 113.4 | K227 L228 | K227-M231 HydrophobicContact CD-SD 4.41Å; K227-M231 HydrophobicContact CG-CG 4.49Å; K227-M231 HydrophobicContact CG-SD 4Å; K227-M231 VanDerWaalsContact O-CG 3.32Å; K227-M231 WeakPolarHBondContact O-CG 3.4Å; K227-M231 PolarHBondContact O-N 3.22Å; L228-M231 PolarHBondContact O-N 2.98Å |
| 232 | S | 90.5 | Very high | 82.6 | Confident | 101 Ų | 101 | 77 Ų | 77 | 71% | 0.706 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -82.5 | -15.5 | -176.2 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | L228 K229 | L228-S232 VanDerWaalsContact O-CB 3.28Å; L228-S232 WeakPolarHBondContact O-CB 3.41Å; L228-S232 PolarHBondContact O-N 3.07Å; L228-S232 PolarHBondContact O-OG 3.2Å; K229-S232 PolarHBondContact O-OG 3.27Å |
| 233 | N | 84.6 | Confident | 82.2 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | trans | -132.7 | 104.9 | -178.1 | -175.5 | -9.3 | 0 | 0 | 0 | 110.8 | N235 L236 | N233-N235 PolarHBondContact O-N 3.24Å; N233-N235 VanDerWaalsContact O-N 3.13Å; N233-N235 VanDerWaalsContact OD1-CB 3.32Å; N233-N235 WeakPolarHBondContact OD1-CB 3.16Å; N233-N235 PolarHBondContact OD1-N 3.33Å; N233-L236 HydrophobicContact CB-CD1 3.84Å; N233-L236 HydrophobicContact CB-CG 3.77Å; N233-L236 WeakPolarHBondContact O-CB 3.42Å; N233-L236 PolarHBondContact O-N 2.74Å | ||
| 234 | K | 80.5 | Confident | 81.9 | Confident | 209 Ų | 209 | 73.3 Ų | 73.3 | 91% | 0.909 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.1 | 179.9 | -65.1 | -175.7 | 179 | -178.4 | 0 | 114 | ||
| 235 | N | 77.8 | Confident | 81.5 | Confident | 146 Ų | 146 | 69.2 Ų | 69.2 | 78% | 0.781 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.5 | 176 | -58.6 | -23.3 | 0 | 0 | 0 | 112.2 | N233 | N233-N235 PolarHBondContact O-N 3.24Å; N233-N235 VanDerWaalsContact O-N 3.13Å; N233-N235 VanDerWaalsContact OD1-CB 3.32Å; N233-N235 WeakPolarHBondContact OD1-CB 3.16Å; N233-N235 PolarHBondContact OD1-N 3.33Å |
| 236 | L | 76.3 | Confident | 81.2 | Confident | 38 Ų | 38 | 68 Ų | 68 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | trans | -90.4 | 130.2 | 174.3 | -57.5 | -175.1 | 0 | 0 | 0 | 109.6 | K229 L230 N233 D240 | K229-L236 HydrophobicContact CD-CD1 4.37Å; K229-L236 HydrophobicContact CG-CD1 3.67Å; K229-L236 WeakPolarHBondContact O-CD1 3.47Å; L230-L236 HydrophobicContact CD1-CB 4.28Å; L230-L236 WeakPolarHBondContact CD1-O 3.49Å; N233-L236 HydrophobicContact CB-CD1 3.84Å; N233-L236 HydrophobicContact CB-CG 3.77Å; N233-L236 WeakPolarHBondContact O-CB 3.42Å; N233-L236 PolarHBondContact O-N 2.74Å; L236-D240 HydrophobicContact CB-CB 4.05Å; L236-D240 HydrophobicContact CD2-CB 3.66Å; L236-D240 HydrophobicContact CG-CB 4.3Å | ||
| 237 | S | 72.7 | Confident | 80.8 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | trans | -87.8 | 171.1 | 165.3 | 75.3 | 0 | 0 | 0 | 0 | 109.9 | L230 G239 D240 R271 | L230-S237 VanDerWaalsContact CD1-O 3.3Å; L230-S237 WeakPolarHBondContact CD1-O 3.46Å; S237-G239 PolarHBondContact O-N 3.16Å; S237-G239 PolarHBondContact OG-N 2.86Å; S237-G239 VanDerWaalsContact OG-N 3.11Å; S237-D240 WeakPolarHBondContact CA-OD2 3.43Å; S237-D240 WeakPolarHBondContact CB-OD2 3.41Å; S237-D240 PolarHBondContact N-OD2 3.48Å; S237-D240 PolarHBondContact O-N 2.97Å; S237-D240 PolarHBondContact OG-OD2 3.35Å; S237-R271 PolarHBondContact OG-NH1 3.37Å | ||
| 238 | L | 67.9 | Low | 80.5 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -12.8 | 169.9 | -171.5 | 62.9 | 0 | 0 | 0 | 113 | R187 L230 V241 | R187-L238 PolarHBondContact NH1-O 3.2Å; R187-L238 PolarHBondContact NH2-O 3.2Å; L230-L238 HydrophobicContact CD2-CD1 3.84Å; L238-V241 HydrophobicContact CD1-CG2 4.36Å |
| 239 | G | 67.9 | Low | 80.3 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -4.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | S237 V241 R271 | S237-G239 PolarHBondContact O-N 3.16Å; S237-G239 PolarHBondContact OG-N 2.86Å; S237-G239 VanDerWaalsContact OG-N 3.11Å; G239-V241 VanDerWaalsContact C-N 3.28Å; G239-R271 CarbonylContact O-C 3.58Å; G239-R271 WeakPolarHBondContact O-CB 3.4Å; G239-R271 WeakPolarHBondContact O-CG 3.46Å |
| 240 | D | 72.4 | Confident | 80.3 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -98.4 | 7 | 177.8 | -52.5 | -68.7 | 0 | 0 | 0 | 110.8 | K229 L236 S237 | K229-D240 PolarHBondContact NZ-O 3.08Å; L236-D240 HydrophobicContact CB-CB 4.05Å; L236-D240 HydrophobicContact CD2-CB 3.66Å; L236-D240 HydrophobicContact CG-CB 4.3Å; S237-D240 WeakPolarHBondContact CA-OD2 3.43Å; S237-D240 WeakPolarHBondContact CB-OD2 3.41Å; S237-D240 PolarHBondContact N-OD2 3.48Å; S237-D240 PolarHBondContact O-N 2.97Å; S237-D240 PolarHBondContact OG-OD2 3.35Å |
| 241 | V | 76.9 | Confident | 80.6 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -131.4 | 157.9 | -177.9 | -57.5 | 0 | 0 | 0 | 0 | 112 | R187 E226 K229 L230 L238 G239 | R187-V241 PolarHBondContact NH2-O 2.85Å; E226-V241 WeakPolarHBondContact OE2-CA 3.38Å; E226-V241 WeakPolarHBondContact OE2-CB 3.14Å; K229-V241 HydrophobicContact CB-CG1 4.22Å; K229-V241 HydrophobicContact CD-CG1 4.03Å; K229-V241 HydrophobicContact CG-CG1 4.08Å; L230-V241 HydrophobicContact CB-CG1 3.9Å; L230-V241 HydrophobicContact CB-CG2 4.22Å; L230-V241 HydrophobicContact CD1-CG1 4.49Å; L230-V241 HydrophobicContact CD1-CG2 4.46Å; L230-V241 HydrophobicContact CD2-CG2 4.3Å; L238-V241 HydrophobicContact CD1-CG2 4.36Å; G239-V241 VanDerWaalsContact C-N 3.28Å |
| 242 | I | 79 | Confident | 80.5 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | trans | -85.9 | 115.1 | 175.3 | -43.8 | -178.2 | 0 | 0 | 0 | 108.8 | E226 V244 V268 L270 L284 | E226-I242 VanDerWaalsContact CB-O 3.25Å; E226-I242 WeakPolarHBondContact CB-O 3.42Å; E226-I242 HydrophobicContact CG-CB 3.88Å; E226-I242 HydrophobicContact CG-CG1 4.36Å; E226-I242 WeakPolarHBondContact CG-O 3.38Å; E226-I242 PolarHBondContact OE2-N 2.86Å; I242-V244 HydrophobicContact CB-CG2 4.26Å; I242-V244 HydrophobicContact CG2-CG2 3.59Å; I242-V244 PolarHBondContact O-N 3.01Å; I242-V268 HydrophobicContact CG2-CG1 3.55Å; I242-L270 HydrophobicContact CB-CD2 4.04Å; I242-L270 HydrophobicContact CD1-CD2 3.56Å; I242-L270 HydrophobicContact CG1-CD2 3.49Å; I242-L270 VanDerWaalsContact CG1-CD2 3.49Å; I242-L270 HydrophobicContact CG2-CD2 3.58Å; I242-L270 HydrophobicContact CG2-CG 4.35Å; I242-L284 HydrophobicContact CD1-CD1 4.43Å | ||
| 243 | S | 78.1 | Confident | 80.4 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.1 | 172 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | R187 Q269 | R187-S243 PolarHBondContact NH2-OG 2.95Å; R187-S243 VanDerWaalsContact NH2-OG 3.08Å; S243-Q269 PolarHBondContact N-O 2.7Å; S243-Q269 PolarHBondContact O-N 3.47Å |
| 244 | V | 82.2 | Confident | 80.6 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.012 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 104.3 | -171.9 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | F219 L222 R223 I242 V268 | F219-V244 HydrophobicContact CD2-CG1 3.72Å; F219-V244 HydrophobicContact CE1-CG1 4.43Å; F219-V244 HydrophobicContact CE2-CB 4.47Å; F219-V244 HydrophobicContact CE2-CG1 3.12Å; F219-V244 HydrophobicContact CZ-CG1 3.51Å; L222-V244 HydrophobicContact CD2-CG1 4.15Å; L222-V244 HydrophobicContact CD2-CG2 3.84Å; L222-V244 HydrophobicContact CG-CG1 4.43Å; L222-V244 HydrophobicContact CG-CG2 3.96Å; R223-V244 HydrophobicContact CB-CB 4.4Å; R223-V244 PolarHBondContact NH1-O 2.72Å; I242-V244 HydrophobicContact CB-CG2 4.26Å; I242-V244 HydrophobicContact CG2-CG2 3.59Å; I242-V244 PolarHBondContact O-N 3.01Å; V244-V268 HydrophobicContact CG2-CG1 4.4Å; V244-V268 HydrophobicContact CG2-CG2 4.5Å |
| 245 | N | 83.5 | Confident | 80.9 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.7 | -175.9 | -66.7 | -56 | 0 | 0 | 0 | 112 | R223 T247 Y267 | R223-N245 PolarHBondContact NH1-OD1 3.49Å; N245-T247 HydrophobicContact CB-CG2 4.44Å; N245-Y267 PolarHBondContact N-O 3.17Å |
| 246 | L | 83.3 | Confident | 81.5 | Confident | 57 Ų | 57 | 68 Ų | 68 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 104.4 | 174.7 | 173 | 70.1 | 0 | 0 | 0 | 106.9 | F219 I248 L249 A264 K266 | F219-L246 HydrophobicContact CD1-CB 4.17Å; F219-L246 HydrophobicContact CE1-CB 3.49Å; F219-L246 VanDerWaalsContact CE1-CB 3.49Å; F219-L246 HydrophobicContact CZ-CB 3.7Å; L246-I248 WeakPolarHBondContact CD1-O 3.16Å; L246-L249 HydrophobicContact CD1-CB 4.31Å; L246-L249 HydrophobicContact CD2-CB 4.33Å; L246-L249 HydrophobicContact CD2-CD2 4.38Å; L246-A264 HydrophobicContact CD1-CB 3.57Å; L246-K266 HydrophobicContact CD1-CD 4.33Å; L246-K266 HydrophobicContact CD1-CG 4.06Å |
| 247 | T | 79.6 | Confident | 82.2 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -29.5 | -175.5 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | N245 S265 | N245-T247 HydrophobicContact CB-CG2 4.44Å; T247-S265 PolarHBondContact OG1-O 2.85Å |
| 248 | I | 81.5 | Confident | 83 | Confident | 76 Ų | 76 | 68 Ų | 68 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 127.2 | 177 | -60.2 | 174 | 0 | 0 | 0 | 109.4 | L246 K250 A264 S265 | L246-I248 WeakPolarHBondContact CD1-O 3.16Å; I248-K250 HydrophobicContact CG2-CD 4.32Å; I248-K250 HydrophobicContact CG2-CG 3.99Å; I248-A264 VanDerWaalsContact O-CA 3.28Å; I248-A264 WeakPolarHBondContact O-CA 3.31Å; I248-S265 PolarHBondContact N-O 2.92Å; I248-S265 PolarHBondContact O-N 2.86Å |
| 249 | L | 88.5 | Confident | 84.1 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 45% | 0.445 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.2 | 170 | -177.1 | 65.1 | 0 | 0 | 0 | 109 | L215 L246 F262 A264 | L215-L249 HydrophobicContact CD2-CD1 3.76Å; L246-L249 HydrophobicContact CD1-CB 4.31Å; L246-L249 HydrophobicContact CD2-CB 4.33Å; L246-L249 HydrophobicContact CD2-CD2 4.38Å; L249-F262 HydrophobicContact CD1-CB 4.41Å; L249-F262 HydrophobicContact CD1-CD1 3.81Å; L249-F262 HydrophobicContact CD1-CG 4.44Å; L249-F262 HydrophobicContact CG-CD1 4.06Å; L249-F262 HydrophobicContact CG-CE1 4.4Å; L249-A264 HydrophobicContact CD1-CB 4.2Å |
| 250 | K | 89.7 | Confident | 85.2 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 61% | 0.613 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.6 | 179.3 | -63.2 | -175.4 | 178.6 | -173.1 | 0 | 109.9 | I248 F262 V263 | I248-K250 HydrophobicContact CG2-CD 4.32Å; I248-K250 HydrophobicContact CG2-CG 3.99Å; K250-F262 CarbonylContact O-C 3.58Å; K250-F262 WeakPolarHBondContact O-CA 3.4Å; K250-F262 WeakPolarHBondContact O-CD1 3.45Å; K250-V263 PolarHBondContact N-O 3.05Å; K250-V263 PolarHBondContact O-N 3.1Å |
| 251 | G | 90 | Very high | 86.1 | Confident | 38 Ų | 38 | 69 Ų | 69 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | 163.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 252 | G | 88.1 | Confident | 86.6 | Confident | 41 Ų | 41 | 70 Ų | 70 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | trans | 84.1 | 148.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 253 | I | 87.3 | Confident | 86.9 | Confident | 167 Ų | 167 | 70.7 Ų | 70.7 | 86% | 0.856 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -121 | -38.8 | -178.8 | -59 | 173.6 | 0 | 0 | 0 | 109.3 | ||
| 254 | Q | 88.6 | Confident | 87.1 | Confident | 124 Ų | 124 | 69.8 Ų | 69.8 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -142.6 | 150.5 | -175.6 | -168.8 | 176.8 | -7.5 | 0 | 0 | 110.4 | N256 V257 | Q254-N256 VanDerWaalsContact C-N 3.31Å; Q254-N256 VanDerWaalsContact CG-OD1 3.25Å; Q254-N256 WeakPolarHBondContact CG-OD1 3.29Å; Q254-N256 PolarHBondContact NE2-OD1 2.98Å; Q254-N256 VanDerWaalsContact NE2-OD1 3.15Å; Q254-N256 PolarHBondContact O-N 2.81Å; Q254-V257 HydrophobicContact CB-CB 4.49Å; Q254-V257 HydrophobicContact CB-CG2 4.15Å; Q254-V257 PolarHBondContact O-N 3.35Å |
| 255 | Q | 87.1 | Confident | 86.6 | Confident | 207 Ų | 207 | 70.2 Ų | 70.2 | 97% | 0.967 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.3 | -174 | -69 | -179.8 | -19.3 | 0 | 0 | 114.3 | ||
| 256 | N | 91.4 | Very high | 85.4 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 33% | 0.326 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 12.7 | -177.1 | 69.9 | -39.1 | 0 | 0 | 0 | 113.8 | H202 G203 Q254 | H202-N256 PolarHBondContact NE2-ND2 2.89Å; G203-N256 PolarHBondContact N-O 2.78Å; Q254-N256 VanDerWaalsContact C-N 3.31Å; Q254-N256 VanDerWaalsContact CG-OD1 3.25Å; Q254-N256 WeakPolarHBondContact CG-OD1 3.29Å; Q254-N256 PolarHBondContact NE2-OD1 2.98Å; Q254-N256 VanDerWaalsContact NE2-OD1 3.15Å; Q254-N256 PolarHBondContact O-N 2.81Å |
| 257 | V | 90.4 | Very high | 83.9 | Confident | 61 Ų | 61 | 69 Ų | 69 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.5 | -178.6 | -179 | 0 | 0 | 0 | 0 | 109.9 | Q254 P259 | Q254-V257 HydrophobicContact CB-CB 4.49Å; Q254-V257 HydrophobicContact CB-CG2 4.15Å; Q254-V257 PolarHBondContact O-N 3.35Å; V257-P259 WeakPolarHBondContact O-CD 3.22Å |
| 258 | V | 90.6 | Very high | 82.8 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 121.9 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | A200 G201 I207 T210 | A200-V258 VanDerWaalsContact CA-O 3.29Å; A200-V258 WeakPolarHBondContact CA-O 3.45Å; A200-V258 VanDerWaalsContact CB-O 3.29Å; A200-V258 WeakPolarHBondContact CB-O 3.32Å; G201-V258 PolarHBondContact O-N 3.48Å; I207-V258 HydrophobicContact CG1-CB 4.45Å; I207-V258 HydrophobicContact CG1-CG2 4.01Å; T210-V258 HydrophobicContact CG2-CG1 3.72Å |
| 259 | P | 90.9 | Very high | 81.5 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | trans | -73.1 | 138.2 | -173.6 | -20.2 | 35.5 | 0 | 0 | 0 | 112.4 | V257 H261 F262 | V257-P259 WeakPolarHBondContact O-CD 3.22Å; P259-H261 PolarHBondContact O-N 2.93Å; P259-F262 HydrophobicContact CB-CD2 4.23Å; P259-F262 HydrophobicContact CB-CE2 3.75Å; P259-F262 HydrophobicContact CB-CZ 4.27Å; P259-F262 HydrophobicContact CG-CD2 4.47Å; P259-F262 HydrophobicContact CG-CE2 3.53Å; P259-F262 HydrophobicContact CG-CZ 3.72Å | ||
| 260 | S | 90.6 | Very high | 79.9 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -69.6 | -23.9 | 173.2 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | S197 G198 | S197-S260 CarbonylContact C-O 3.6Å; S197-S260 WeakPolarHBondContact CA-O 3.33Å; G198-S260 PolarHBondContact N-O 3.12Å; G198-S260 WeakPolarHBondContact O-CA 3.09Å |
| 261 | H | 90 | Very high | 77.9 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.6 | -179.8 | 60.2 | 58.5 | 0 | 0 | 0 | 113 | A196 P259 | A196-H261 CarbonylContact O-C 3.58Å; A196-H261 VanDerWaalsContact O-CA 3.23Å; A196-H261 WeakPolarHBondContact O-CA 3.2Å; P259-H261 PolarHBondContact O-N 2.93Å |
| 262 | F | 88.5 | Confident | 75.8 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.3 | 164.1 | -88.5 | -84.2 | 0 | 0 | 0 | 109.6 | I195 A196 A211 A212 L215 L249 K250 P259 | I195-F262 WeakPolarHBondContact CA-O 3.43Å; A196-F262 PolarHBondContact N-O 2.82Å; A196-F262 PolarHBondContact O-N 3.5Å; A211-F262 HydrophobicContact CB-CB 4.43Å; A211-F262 HydrophobicContact CB-CD2 3.99Å; A212-F262 HydrophobicContact CB-CD2 3.9Å; A212-F262 HydrophobicContact CB-CE2 3.72Å; A212-F262 HydrophobicContact CB-CZ 4.48Å; L215-F262 HydrophobicContact CD2-CB 3.89Å; L249-F262 HydrophobicContact CD1-CB 4.41Å; L249-F262 HydrophobicContact CD1-CD1 3.81Å; L249-F262 HydrophobicContact CD1-CG 4.44Å; L249-F262 HydrophobicContact CG-CD1 4.06Å; L249-F262 HydrophobicContact CG-CE1 4.4Å; K250-F262 CarbonylContact O-C 3.58Å; K250-F262 WeakPolarHBondContact O-CA 3.4Å; K250-F262 WeakPolarHBondContact O-CD1 3.45Å; P259-F262 HydrophobicContact CB-CD2 4.23Å; P259-F262 HydrophobicContact CB-CE2 3.75Å; P259-F262 HydrophobicContact CB-CZ 4.27Å; P259-F262 HydrophobicContact CG-CD2 4.47Å; P259-F262 HydrophobicContact CG-CE2 3.53Å; P259-F262 HydrophobicContact CG-CZ 3.72Å |
| 263 | V | 85.6 | Confident | 73.7 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 16% | 0.158 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.7 | 170.3 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | R193 I195 K250 | R193-V263 HydrophobicContact CG-CG1 3.98Å; I195-V263 HydrophobicContact CG1-CG1 4.33Å; I195-V263 HydrophobicContact CG1-CG2 4.22Å; I195-V263 HydrophobicContact CG2-CG2 4.39Å; K250-V263 PolarHBondContact N-O 3.05Å; K250-V263 PolarHBondContact O-N 3.1Å |
| 264 | A | 81.4 | Confident | 71.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R193 I194 L215 L246 I248 L249 K266 | R193-A264 CarbonylContact C-O 3.59Å; R193-A264 WeakPolarHBondContact CA-O 3.33Å; I194-A264 PolarHBondContact N-O 3.1Å; I194-A264 PolarHBondContact O-N 2.97Å; L215-A264 HydrophobicContact CD1-CB 4.12Å; L215-A264 HydrophobicContact CD2-CB 3.8Å; L215-A264 HydrophobicContact CG-CB 4.38Å; L246-A264 HydrophobicContact CD1-CB 3.57Å; I248-A264 VanDerWaalsContact O-CA 3.28Å; I248-A264 WeakPolarHBondContact O-CA 3.31Å; L249-A264 HydrophobicContact CD1-CB 4.2Å; A264-K266 HydrophobicContact CB-CD 4.19Å; A264-K266 HydrophobicContact CB-CG 4.42Å |
| 265 | S | 71.5 | Confident | 69.4 | Low | 11 Ų | 11 | 44.6 Ų | 44.6 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.3 | 164.8 | -50.4 | 0 | 0 | 0 | 0 | 107.6 | L192 T247 I248 | L192-S265 CarbonylContact O-C 3.6Å; L192-S265 WeakPolarHBondContact O-CA 3.33Å; T247-S265 PolarHBondContact OG1-O 2.85Å; I248-S265 PolarHBondContact N-O 2.92Å; I248-S265 PolarHBondContact O-N 2.86Å |
| 266 | K | 59.9 | Low | 67.7 | Low | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140.9 | -159.6 | -83.7 | 166.9 | 176.1 | 170.1 | 0 | 113.5 | W191 L192 I194 F219 L246 A264 | W191-K266 WeakPolarHBondContact CA-O 3.08Å; L192-K266 HydrophobicContact CB-CB 4.45Å; L192-K266 PolarHBondContact N-O 3.44Å; L192-K266 PolarHBondContact O-N 3.26Å; I194-K266 HydrophobicContact CD1-CD 3.98Å; F219-K266 VanDerWaalsContact CB-NZ 3.28Å; F219-K266 HydrophobicContact CD2-CD 3.46Å; F219-K266 VanDerWaalsContact CD2-CD 3.46Å; F219-K266 HydrophobicContact CE2-CD 3.29Å; F219-K266 HydrophobicContact CE2-CG 3.91Å; F219-K266 HydrophobicContact CG-CD 4.4Å; F219-K266 HydrophobicContact CZ-CD 4.22Å; L246-K266 HydrophobicContact CD1-CD 4.33Å; L246-K266 HydrophobicContact CD1-CG 4.06Å; A264-K266 HydrophobicContact CB-CD 4.19Å; A264-K266 HydrophobicContact CB-CG 4.42Å |
| 267 | Y | 51.1 | Low | 65.8 | Low | 80 Ų | 80 | 35.1 Ų | 35.1 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 103.9 | 170.1 | -173.3 | -95.6 | 0 | 0 | 0 | 109 | V189 N245 Q269 | V189-Y267 HydrophobicContact CG1-CD2 4.09Å; V189-Y267 HydrophobicContact CG1-CE2 3.77Å; N245-Y267 PolarHBondContact N-O 3.17Å; Y267-Q269 HydrophobicContact CD1-CB 4.35Å; Y267-Q269 HydrophobicContact CE1-CB 3.82Å; Y267-Q269 HydrophobicContact CE1-CG 4.1Å; Y267-Q269 VanDerWaalsContact OH-CD 3.29Å; Y267-Q269 PolarHBondContact OH-NE2 3.45Å; Y267-Q269 VanDerWaalsContact OH-NE2 3.14Å |
| 268 | V | 56.8 | Low | 64 | Low | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.9 | 168.3 | 174.1 | 0 | 0 | 0 | 0 | 107.9 | W190 L192 I242 V244 L270 L284 | W190-V268 HydrophobicContact CB-CB 4.07Å; W190-V268 HydrophobicContact CB-CG1 4.48Å; W190-V268 PolarHBondContact N-O 3.14Å; W190-V268 PolarHBondContact O-N 2.91Å; L192-V268 HydrophobicContact CD1-CB 4.4Å; L192-V268 HydrophobicContact CD1-CG2 3.72Å; L192-V268 HydrophobicContact CG-CG2 4.37Å; I242-V268 HydrophobicContact CG2-CG1 3.55Å; V244-V268 HydrophobicContact CG2-CG1 4.4Å; V244-V268 HydrophobicContact CG2-CG2 4.5Å; V268-L270 HydrophobicContact CG1-CG 4.46Å; V268-L284 HydrophobicContact CG1-CD2 4.11Å |
| 269 | Q | 53 | Low | 62.4 | Low | 26 Ų | 26 | 40.3 Ų | 40.3 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 106.6 | -179.8 | -148.9 | -177.4 | 15.4 | 0 | 0 | 110.3 | R187 V189 S243 Y267 | R187-Q269 HydrophobicContact CB-CG 3.8Å; R187-Q269 VanDerWaalsContact CD-NE2 3.3Å; R187-Q269 HydrophobicContact CG-CG 4.37Å; R187-Q269 VanDerWaalsContact NE-CG 3.26Å; R187-Q269 PolarHBondContact NH2-O 3.12Å; V189-Q269 HydrophobicContact CG2-CG 4.12Å; S243-Q269 PolarHBondContact N-O 2.7Å; S243-Q269 PolarHBondContact O-N 3.47Å; Y267-Q269 HydrophobicContact CD1-CB 4.35Å; Y267-Q269 HydrophobicContact CE1-CB 3.82Å; Y267-Q269 HydrophobicContact CE1-CG 4.1Å; Y267-Q269 VanDerWaalsContact OH-CD 3.29Å; Y267-Q269 PolarHBondContact OH-NE2 3.45Å; Y267-Q269 VanDerWaalsContact OH-NE2 3.14Å |
| 270 | L | 54.7 | Low | 61.1 | Low | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.8 | 171.2 | -61.5 | 165.2 | 0 | 0 | 0 | 108.3 | R187 S188 W190 I242 V268 F281 L284 | R187-L270 CarbonylContact C-O 3.52Å; R187-L270 WeakPolarHBondContact CA-O 3.13Å; R187-L270 VanDerWaalsContact CB-O 3.32Å; R187-L270 WeakPolarHBondContact CB-O 3.43Å; S188-L270 CarbonylContact C-O 3.51Å; S188-L270 PolarHBondContact N-O 3.43Å; S188-L270 WeakPolarHBondContact O-CA 3.44Å; S188-L270 WeakPolarHBondContact O-CB 2.95Å; S188-L270 PolarHBondContact O-N 3.13Å; S188-L270 VanDerWaalsContact O-O 3.09Å; W190-L270 HydrophobicContact CD2-CD1 4.19Å; W190-L270 HydrophobicContact CG-CD1 4.32Å; I242-L270 HydrophobicContact CB-CD2 4.04Å; I242-L270 HydrophobicContact CD1-CD2 3.56Å; I242-L270 HydrophobicContact CG1-CD2 3.49Å; I242-L270 VanDerWaalsContact CG1-CD2 3.49Å; I242-L270 HydrophobicContact CG2-CD2 3.58Å; I242-L270 HydrophobicContact CG2-CG 4.35Å; V268-L270 HydrophobicContact CG1-CG 4.46Å; L270-F281 HydrophobicContact CB-CE1 4.4Å; L270-F281 HydrophobicContact CB-CZ 4.17Å; L270-F281 HydrophobicContact CD1-CD1 3.61Å; L270-F281 HydrophobicContact CD1-CE1 3.2Å; L270-F281 HydrophobicContact CD1-CZ 3.75Å; L270-F281 HydrophobicContact CG-CE1 4.37Å; L270-L284 HydrophobicContact CD1-CD2 3.87Å; L270-L284 HydrophobicContact CD2-CD2 4.03Å; L270-L284 HydrophobicContact CG-CD2 4.31Å |
| 271 | R | 49 | Very low | 60 | Low | 19 Ų | 19 | 38.4 Ų | 38.4 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.7 | 179.7 | 179.2 | 151.9 | 175.7 | -106.8 | 16 | 111.9 | R187 S237 G239 L276 S339 V340 | R187-R271 HydrophobicContact CB-CB 4.35Å; R187-R271 HydrophobicContact CG-CB 3.59Å; R187-R271 HydrophobicContact CG-CG 3.61Å; S237-R271 PolarHBondContact OG-NH1 3.37Å; G239-R271 CarbonylContact O-C 3.58Å; G239-R271 WeakPolarHBondContact O-CB 3.4Å; G239-R271 WeakPolarHBondContact O-CG 3.46Å; R271-L276 WeakPolarHBondContact O-CD1 3.37Å; R271-S339 PolarHBondContact NH2-OG 3.01Å; R271-V340 HydrophobicContact CG-CB 4.01Å; R271-V340 HydrophobicContact CG-CG1 3.33Å; R271-V340 VanDerWaalsContact NE-CG1 3.27Å; R271-V340 PolarHBondContact NE-O 3.25Å; R271-V340 PolarHBondContact NH2-O 2.76Å |
| 272 | S | 46.2 | Very low | 59.1 | Low | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | trans | -92.8 | 109.4 | 178 | -167.3 | 0 | 0 | 0 | 0 | 111.9 | A185 E186 P316 V340 | A185-S272 WeakPolarHBondContact CB-O 3.49Å; E186-S272 PolarHBondContact O-N 2.61Å; S272-P316 WeakPolarHBondContact OG-CG 3.21Å; S272-V340 VanDerWaalsContact O-CG1 3.23Å; S272-V340 WeakPolarHBondContact O-CG1 3.42Å; S272-V340 VanDerWaalsContact O-CG2 3.24Å; S272-V340 WeakPolarHBondContact O-CG2 3.42Å | ||
| 273 | G | 43.2 | Very low | 58.5 | Low | 4 Ų | 4 | 39.8 Ų | 39.8 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -94.2 | -174.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N275 L276 M317 | G273-N275 PolarHBondContact O-N 3.19Å; G273-L276 PolarHBondContact O-N 2.71Å; G273-M317 VanDerWaalsContact C-CE 3.45Å; G273-M317 VanDerWaalsContact O-SD 3.36Å |
| 274 | S | 43.8 | Very low | 58.2 | Low | 60 Ų | 60 | 38.9 Ų | 38.9 | 42% | 0.42 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -54.3 | -6.4 | -168.2 | 46.9 | 0 | 0 | 0 | 0 | 118.2 | M317 Q320 | S274-M317 WeakPolarHBondContact CA-SD 3.41Å; S274-M317 VanDerWaalsContact N-CE 3.31Å; S274-Q320 PolarHBondContact OG-NE2 2.9Å |
| 275 | N | 41.3 | Very low | 58.1 | Low | 135 Ų | 135 | 41.6 Ų | 41.6 | 72% | 0.722 | 21% | 0.212 | S | C | * | . | trans | -148.9 | 81 | 171.8 | -75.9 | -54.8 | 0 | 0 | 0 | 109.8 | G273 P277 | G273-N275 PolarHBondContact O-N 3.19Å; N275-P277 HydrophobicContact CB-CG 4.41Å; N275-P277 VanDerWaalsContact O-CD 3.26Å; N275-P277 WeakPolarHBondContact O-CD 3.4Å | ||
| 276 | L | 52 | Low | 58.6 | Low | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | trans | -103.4 | 80.8 | 152 | -133.4 | 137.9 | 0 | 0 | 0 | 108.7 | R271 G273 L280 F281 | R271-L276 WeakPolarHBondContact O-CD1 3.37Å; G273-L276 PolarHBondContact O-N 2.71Å; L276-L280 HydrophobicContact CD2-CB 3.41Å; L276-L280 VanDerWaalsContact CD2-CB 3.41Å; L276-L280 HydrophobicContact CD2-CD1 3.89Å; L276-L280 HydrophobicContact CD2-CG 4.15Å; L276-L280 HydrophobicContact CG-CB 4.18Å; L276-L280 HydrophobicContact CG-CD1 3.68Å; L276-L280 HydrophobicContact CG-CG 4.48Å; L276-F281 HydrophobicContact CD2-CD2 3.84Å; L276-F281 HydrophobicContact CD2-CE2 3.37Å; L276-F281 HydrophobicContact CD2-CZ 4.23Å | ||
| 277 | P | 52.3 | Low | 59.7 | Low | 44 Ų | 44 | 49.8 Ų | 49.8 | 29% | 0.286 | 24% | 0.241 | S | C | . | . | trans | -66.5 | 154.5 | -174.4 | -19 | 37.8 | 0 | 0 | 0 | 107.7 | N275 Y279 L280 | N275-P277 HydrophobicContact CB-CG 4.41Å; N275-P277 VanDerWaalsContact O-CD 3.26Å; N275-P277 WeakPolarHBondContact O-CD 3.4Å; P277-Y279 HydrophobicContact CB-CD1 3.36Å; P277-Y279 HydrophobicContact CB-CE1 3.64Å; P277-Y279 HydrophobicContact CB-CG 4.24Å; P277-Y279 HydrophobicContact CG-CD1 3.63Å; P277-Y279 HydrophobicContact CG-CE1 3.29Å; P277-Y279 PolarHBondContact O-N 3.19Å; P277-L280 PolarHBondContact O-N 2.95Å | ||
| 278 | T | 52.3 | Low | 61.2 | Low | 58 Ų | 58 | 46.1 Ų | 46.1 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -46 | -26.4 | 175 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | L280 F281 K282 L312 | T278-L280 PolarHBondContact O-N 3.05Å; T278-F281 PolarHBondContact O-N 3.32Å; T278-K282 HydrophobicContact CG2-CD 4.08Å; T278-K282 HydrophobicContact CG2-CG 4.29Å; T278-K282 WeakPolarHBondContact O-CB 3.39Å; T278-K282 WeakPolarHBondContact O-CG 3.2Å; T278-K282 PolarHBondContact O-N 2.73Å; T278-L312 HydrophobicContact CG2-CD2 3.49Å; T278-L312 VanDerWaalsContact CG2-CD2 3.49Å |
| 279 | Y | 56.6 | Low | 62.4 | Low | 141 Ų | 141 | 49.1 Ų | 49.1 | 55% | 0.553 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -56.4 | -31.6 | 173.8 | 85.8 | -115.5 | 0 | 0 | 0 | 113.9 | P277 K282 A283 | P277-Y279 HydrophobicContact CB-CD1 3.36Å; P277-Y279 HydrophobicContact CB-CE1 3.64Å; P277-Y279 HydrophobicContact CB-CG 4.24Å; P277-Y279 HydrophobicContact CG-CD1 3.63Å; P277-Y279 HydrophobicContact CG-CE1 3.29Å; P277-Y279 PolarHBondContact O-N 3.19Å; Y279-K282 CarbonylContact O-C 3.57Å; Y279-K282 PolarHBondContact O-N 3.38Å; Y279-A283 WeakPolarHBondContact O-CA 3.39Å; Y279-A283 WeakPolarHBondContact O-CB 3.4Å; Y279-A283 PolarHBondContact O-N 2.9Å |
| 280 | L | 64.4 | Low | 64 | Low | 28 Ų | 28 | 52.3 Ų | 52.3 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.5 | -40.7 | -179.1 | -100.9 | 151.1 | 0 | 0 | 0 | 111.8 | L276 P277 T278 A283 L284 | L276-L280 HydrophobicContact CD2-CB 3.41Å; L276-L280 VanDerWaalsContact CD2-CB 3.41Å; L276-L280 HydrophobicContact CD2-CD1 3.89Å; L276-L280 HydrophobicContact CD2-CG 4.15Å; L276-L280 HydrophobicContact CG-CB 4.18Å; L276-L280 HydrophobicContact CG-CD1 3.68Å; L276-L280 HydrophobicContact CG-CG 4.48Å; P277-L280 PolarHBondContact O-N 2.95Å; T278-L280 PolarHBondContact O-N 3.05Å; L280-A283 PolarHBondContact O-N 3.1Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 PolarHBondContact O-N 3.48Å |
| 281 | F | 67.2 | Low | 65.3 | Low | 15 Ų | 15 | 52.7 Ų | 52.7 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 170.8 | -72.8 | -92.3 | 0 | 0 | 0 | 111 | W190 L270 L276 T278 A283 L284 Q285 R309 | W190-F281 AromaticContact CE2-CD1 3.98Å; W190-F281 HydrophobicContact CH2-CD1 4.45Å; W190-F281 AromaticContact CZ2-CD1 3.6Å; W190-F281 HydrophobicContact CZ2-CD1 3.6Å; W190-F281 HydrophobicContact CZ2-CE1 4.27Å; W190-F281 AromaticContact NE1-CE1 3.8Å; L270-F281 HydrophobicContact CB-CE1 4.4Å; L270-F281 HydrophobicContact CB-CZ 4.17Å; L270-F281 HydrophobicContact CD1-CD1 3.61Å; L270-F281 HydrophobicContact CD1-CE1 3.2Å; L270-F281 HydrophobicContact CD1-CZ 3.75Å; L270-F281 HydrophobicContact CG-CE1 4.37Å; L276-F281 HydrophobicContact CD2-CD2 3.84Å; L276-F281 HydrophobicContact CD2-CE2 3.37Å; L276-F281 HydrophobicContact CD2-CZ 4.23Å; T278-F281 PolarHBondContact O-N 3.32Å; F281-A283 VanDerWaalsContact C-N 3.29Å; F281-A283 PolarHBondContact O-N 2.87Å; F281-L284 PolarHBondContact O-N 3.11Å; F281-Q285 WeakPolarHBondContact O-CB 3.26Å; F281-Q285 PolarHBondContact O-N 3.1Å; F281-R309 VanDerWaalsContact CE2-NH2 3.29Å; F281-R309 VanDerWaalsContact CZ-NE 3.27Å |
| 282 | K | 70.6 | Confident | 66.9 | Low | 116 Ų | 116 | 54.6 Ų | 54.6 | 50% | 0.504 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 172.8 | -71 | 177.5 | 176 | -179.3 | 0 | 111.6 | T278 Y279 R286 | T278-K282 HydrophobicContact CG2-CD 4.08Å; T278-K282 HydrophobicContact CG2-CG 4.29Å; T278-K282 WeakPolarHBondContact O-CB 3.39Å; T278-K282 WeakPolarHBondContact O-CG 3.2Å; T278-K282 PolarHBondContact O-N 2.73Å; Y279-K282 CarbonylContact O-C 3.57Å; Y279-K282 PolarHBondContact O-N 3.38Å; K282-R286 WeakPolarHBondContact O-CB 3Å; K282-R286 WeakPolarHBondContact O-CG 3.12Å; K282-R286 PolarHBondContact O-N 2.94Å; K282-R286 PolarHBondContact O-NE 3.32Å |
| 283 | A | 75.9 | Confident | 68.5 | Low | 32 Ų | 32 | 62 Ų | 62 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.4 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y279 L280 F281 R286 R287 | Y279-A283 WeakPolarHBondContact O-CA 3.39Å; Y279-A283 WeakPolarHBondContact O-CB 3.4Å; Y279-A283 PolarHBondContact O-N 2.9Å; L280-A283 PolarHBondContact O-N 3.1Å; F281-A283 VanDerWaalsContact C-N 3.29Å; F281-A283 PolarHBondContact O-N 2.87Å; A283-R286 PolarHBondContact O-N 3.06Å; A283-R287 VanDerWaalsContact O-CB 3.29Å; A283-R287 WeakPolarHBondContact O-CB 3.24Å; A283-R287 PolarHBondContact O-N 2.88Å |
| 284 | L | 79.1 | Confident | 70.2 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 172.6 | -178.9 | 65.3 | 0 | 0 | 0 | 110.3 | W190 L222 I242 V268 L270 L280 F281 R286 R287 L288 | W190-L284 HydrophobicContact CD2-CD2 4.31Å; W190-L284 HydrophobicContact CE3-CD2 3.68Å; W190-L284 HydrophobicContact CE3-CG 4.46Å; W190-L284 HydrophobicContact CH2-CD2 4.46Å; W190-L284 HydrophobicContact CZ3-CD2 3.74Å; W190-L284 HydrophobicContact CZ3-CG 4.12Å; L222-L284 HydrophobicContact CD2-CD1 4.25Å; I242-L284 HydrophobicContact CD1-CD1 4.43Å; V268-L284 HydrophobicContact CG1-CD2 4.11Å; L270-L284 HydrophobicContact CD1-CD2 3.87Å; L270-L284 HydrophobicContact CD2-CD2 4.03Å; L270-L284 HydrophobicContact CG-CD2 4.31Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 PolarHBondContact O-N 3.48Å; F281-L284 PolarHBondContact O-N 3.11Å; L284-R286 PolarHBondContact O-N 2.83Å; L284-R287 PolarHBondContact O-N 3.28Å; L284-L288 HydrophobicContact CD1-CG 4.37Å; L284-L288 HydrophobicContact CG-CD1 4.24Å; L284-L288 HydrophobicContact CG-CG 4.38Å; L284-L288 VanDerWaalsContact O-CG 3.29Å; L284-L288 WeakPolarHBondContact O-CG 2.96Å; L284-L288 PolarHBondContact O-N 3.3Å |
| 285 | Q | 79.1 | Confident | 71.8 | Confident | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -47 | 175.7 | -174.2 | 64.6 | 56.6 | 0 | 0 | 111.3 | F281 R287 L288 N289 | F281-Q285 WeakPolarHBondContact O-CB 3.26Å; F281-Q285 PolarHBondContact O-N 3.1Å; Q285-R287 VanDerWaalsContact C-N 3.29Å; Q285-R287 PolarHBondContact O-N 2.87Å; Q285-L288 PolarHBondContact O-N 3.08Å; Q285-N289 PolarHBondContact NE2-OD1 3.25Å; Q285-N289 WeakPolarHBondContact O-CB 3.35Å; Q285-N289 PolarHBondContact O-N 2.94Å; Q285-N289 PolarHBondContact O-OD1 3.34Å; Q285-N289 VanDerWaalsContact O-OD1 3.12Å |
| 286 | R | 82 | Confident | 73.5 | Confident | 148 Ų | 148 | 61.4 Ų | 61.4 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.7 | -42.7 | 174.1 | -80.7 | -179.5 | -66.3 | 161.2 | -1 | 111.3 | K282 A283 L284 N289 Q290 | K282-R286 WeakPolarHBondContact O-CB 3Å; K282-R286 WeakPolarHBondContact O-CG 3.12Å; K282-R286 PolarHBondContact O-N 2.94Å; K282-R286 PolarHBondContact O-NE 3.32Å; A283-R286 PolarHBondContact O-N 3.06Å; L284-R286 PolarHBondContact O-N 2.83Å; R286-N289 WeakPolarHBondContact O-CB 3.38Å; R286-N289 PolarHBondContact O-N 3.05Å; R286-Q290 WeakPolarHBondContact O-CG 3.47Å; R286-Q290 PolarHBondContact O-N 2.83Å |
| 287 | R | 83.3 | Confident | 74.8 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 177.8 | -170.8 | 172.1 | -173.7 | 167.3 | 4 | 112.5 | E221 A283 L284 Q285 N289 Q290 W291 | E221-R287 IonicContact OE1-NH2 3.51Å; E221-R287 PolarHBondContact OE1-NH2 3.25Å; E221-R287 VanDerWaalsContact OE1-NH2 3.12Å; A283-R287 VanDerWaalsContact O-CB 3.29Å; A283-R287 WeakPolarHBondContact O-CB 3.24Å; A283-R287 PolarHBondContact O-N 2.88Å; L284-R287 PolarHBondContact O-N 3.28Å; Q285-R287 VanDerWaalsContact C-N 3.29Å; Q285-R287 PolarHBondContact O-N 2.87Å; R287-N289 VanDerWaalsContact C-N 3.33Å; R287-Q290 WeakPolarHBondContact O-CB 3.23Å; R287-Q290 PolarHBondContact O-N 3.3Å; R287-W291 VanDerWaalsContact O-CG 3.31Å; R287-W291 PolarHBondContact O-N 2.69Å |
| 288 | L | 82.6 | Confident | 76.1 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.1 | -35.2 | 173.6 | -67 | 176.5 | 0 | 0 | 0 | 111.7 | W190 L192 L284 Q285 W291 T292 V299 | W190-L288 HydrophobicContact CE3-CD1 4.12Å; W190-L288 HydrophobicContact CZ3-CD1 3.79Å; L192-L288 HydrophobicContact CD1-CD1 3.77Å; L192-L288 HydrophobicContact CD1-CD2 4.01Å; L192-L288 HydrophobicContact CD2-CD1 4.29Å; L284-L288 HydrophobicContact CD1-CG 4.37Å; L284-L288 HydrophobicContact CG-CD1 4.24Å; L284-L288 HydrophobicContact CG-CG 4.38Å; L284-L288 VanDerWaalsContact O-CG 3.29Å; L284-L288 WeakPolarHBondContact O-CG 2.96Å; L284-L288 PolarHBondContact O-N 3.3Å; Q285-L288 PolarHBondContact O-N 3.08Å; L288-W291 HydrophobicContact CD2-CD2 4.37Å; L288-W291 HydrophobicContact CD2-CE3 3.7Å; L288-W291 HydrophobicContact CD2-CH2 4.49Å; L288-W291 HydrophobicContact CD2-CZ3 3.76Å; L288-W291 WeakPolarHBondContact O-CB 3.23Å; L288-W291 PolarHBondContact O-N 3.44Å; L288-T292 PolarHBondContact O-N 2.78Å; L288-T292 PolarHBondContact O-OG1 3.21Å; L288-V299 HydrophobicContact CB-CG1 4.36Å; L288-V299 HydrophobicContact CD1-CG1 4.33Å; L288-V299 HydrophobicContact CD2-CG1 4.32Å |
| 289 | N | 82.4 | Confident | 77.2 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 172.4 | -65.8 | 1 | 0 | 0 | 0 | 110.7 | Q285 R286 R287 W291 T292 E293 | Q285-N289 PolarHBondContact NE2-OD1 3.25Å; Q285-N289 WeakPolarHBondContact O-CB 3.35Å; Q285-N289 PolarHBondContact O-N 2.94Å; Q285-N289 PolarHBondContact O-OD1 3.34Å; Q285-N289 VanDerWaalsContact O-OD1 3.12Å; R286-N289 WeakPolarHBondContact O-CB 3.38Å; R286-N289 PolarHBondContact O-N 3.05Å; R287-N289 VanDerWaalsContact C-N 3.33Å; N289-W291 VanDerWaalsContact C-N 3.26Å; N289-W291 PolarHBondContact O-N 2.82Å; N289-T292 WeakPolarHBondContact O-CA 3.06Å; N289-T292 WeakPolarHBondContact O-CB 3.41Å; N289-T292 PolarHBondContact O-N 3.45Å; N289-E293 PolarHBondContact O-N 2.96Å |
| 290 | Q | 85.1 | Confident | 78 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.4 | -36.8 | 172.9 | -75.8 | 172.9 | -24.6 | 0 | 0 | 112.1 | R286 R287 T292 E293 E294 | R286-Q290 WeakPolarHBondContact O-CG 3.47Å; R286-Q290 PolarHBondContact O-N 2.83Å; R287-Q290 WeakPolarHBondContact O-CB 3.23Å; R287-Q290 PolarHBondContact O-N 3.3Å; Q290-T292 PolarHBondContact O-N 3.09Å; Q290-E293 PolarHBondContact O-N 3.32Å; Q290-E294 VanDerWaalsContact O-CB 3.28Å; Q290-E294 WeakPolarHBondContact O-CB 3.42Å; Q290-E294 WeakPolarHBondContact O-CG 3.4Å; Q290-E294 PolarHBondContact O-N 3.04Å |
| 291 | W | 83.7 | Confident | 78.1 | Confident | 9 Ų | 9 | 62 Ų | 62 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -33.6 | 173 | -71.7 | 6.4 | 0 | 0 | 0 | 112.6 | I194 K218 L222 R287 L288 N289 A295 L297 | I194-W291 HydrophobicContact CD1-CE3 4.15Å; I194-W291 HydrophobicContact CD1-CZ3 3.8Å; K218-W291 HydrophobicContact CB-CD2 4.04Å; K218-W291 HydrophobicContact CB-CG 4.4Å; K218-W291 HydrophobicContact CB-CZ2 4.02Å; K218-W291 HydrophobicContact CG-CG 4.43Å; K218-W291 WeakPolarHBondContact O-CZ2 3.39Å; L222-W291 HydrophobicContact CB-CH2 4.23Å; L222-W291 HydrophobicContact CB-CZ2 4Å; L222-W291 HydrophobicContact CD2-CH2 3.8Å; L222-W291 HydrophobicContact CD2-CZ2 4.07Å; R287-W291 VanDerWaalsContact O-CG 3.31Å; R287-W291 PolarHBondContact O-N 2.69Å; L288-W291 HydrophobicContact CD2-CD2 4.37Å; L288-W291 HydrophobicContact CD2-CE3 3.7Å; L288-W291 HydrophobicContact CD2-CH2 4.49Å; L288-W291 HydrophobicContact CD2-CZ3 3.76Å; L288-W291 WeakPolarHBondContact O-CB 3.23Å; L288-W291 PolarHBondContact O-N 3.44Å; N289-W291 VanDerWaalsContact C-N 3.26Å; N289-W291 PolarHBondContact O-N 2.82Å; W291-A295 WeakPolarHBondContact O-CB 3.26Å; W291-A295 PolarHBondContact O-N 3.01Å; W291-L297 HydrophobicContact CB-CD1 4.14Å; W291-L297 WeakPolarHBondContact O-CB 3.24Å; W291-L297 PolarHBondContact O-N 2.93Å |
| 292 | T | 81.3 | Confident | 77.7 | Confident | 60 Ų | 60 | 64 Ų | 64 | 37% | 0.368 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 175.5 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | L288 N289 Q290 A296 L297 | L288-T292 PolarHBondContact O-N 2.78Å; L288-T292 PolarHBondContact O-OG1 3.21Å; N289-T292 WeakPolarHBondContact O-CA 3.06Å; N289-T292 WeakPolarHBondContact O-CB 3.41Å; N289-T292 PolarHBondContact O-N 3.45Å; Q290-T292 PolarHBondContact O-N 3.09Å; T292-A296 WeakPolarHBondContact O-CA 3.33Å; T292-A296 PolarHBondContact O-N 2.81Å; T292-L297 WeakPolarHBondContact CA-O 3.37Å; T292-L297 WeakPolarHBondContact CB-O 3.3Å; T292-L297 WeakPolarHBondContact CG2-O 3.38Å; T292-L297 PolarHBondContact OG1-O 2.78Å |
| 293 | E | 79.4 | Confident | 76.6 | Confident | 155 Ų | 155 | 63.7 Ų | 63.7 | 72% | 0.724 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75.5 | -51.9 | -178.9 | -67.5 | 166 | -165.4 | 0 | 0 | 113.1 | N289 Q290 | N289-E293 PolarHBondContact O-N 2.96Å; Q290-E293 PolarHBondContact O-N 3.32Å |
| 294 | E | 80.8 | Confident | 75.1 | Confident | 123 Ų | 123 | 65.9 Ų | 65.9 | 58% | 0.575 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -79.2 | -33.9 | -172.5 | -65.3 | 173.4 | -172.8 | 0 | 0 | 113.8 | K218 Q290 | K218-E294 IonicContact NZ-OE2 3.67Å; K218-E294 PolarHBondContact NZ-OE2 3.41Å; Q290-E294 VanDerWaalsContact O-CB 3.28Å; Q290-E294 WeakPolarHBondContact O-CB 3.42Å; Q290-E294 WeakPolarHBondContact O-CG 3.4Å; Q290-E294 PolarHBondContact O-N 3.04Å |
| 295 | A | 76.3 | Confident | 73.3 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -117.4 | 7.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K214 K218 W291 L297 | K214-A295 WeakPolarHBondContact CD-O 3.43Å; K218-A295 HydrophobicContact CG-CB 4.4Å; W291-A295 WeakPolarHBondContact O-CB 3.26Å; W291-A295 PolarHBondContact O-N 3.01Å; A295-L297 HydrophobicContact CB-CD1 3.96Å; A295-L297 HydrophobicContact CB-CG 3.76Å; A295-L297 PolarHBondContact O-N 3.25Å |
| 296 | A | 77.7 | Confident | 71.4 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 49% | 0.488 | 35% | 0.351 | S | S | . | . | trans | 50.2 | 38.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T292 | T292-A296 WeakPolarHBondContact O-CA 3.33Å; T292-A296 PolarHBondContact O-N 2.81Å | ||
| 297 | L | 78.3 | Confident | 69.8 | Low | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 116.9 | 179.5 | -60.7 | -178.9 | 0 | 0 | 0 | 109.9 | I194 I195 A196 K214 K218 W291 T292 A295 V299 | I194-L297 HydrophobicContact CG2-CB 4.13Å; I194-L297 HydrophobicContact CG2-CD1 4.41Å; I195-L297 CarbonylContact O-C 3.47Å; A196-L297 HydrophobicContact CB-CD2 3.29Å; K214-L297 HydrophobicContact CB-CD2 4.22Å; K218-L297 HydrophobicContact CB-CD1 4.44Å; K218-L297 HydrophobicContact CG-CD1 4.39Å; W291-L297 HydrophobicContact CB-CD1 4.14Å; W291-L297 WeakPolarHBondContact O-CB 3.24Å; W291-L297 PolarHBondContact O-N 2.93Å; T292-L297 WeakPolarHBondContact CA-O 3.37Å; T292-L297 WeakPolarHBondContact CB-O 3.3Å; T292-L297 WeakPolarHBondContact CG2-O 3.38Å; T292-L297 PolarHBondContact OG1-O 2.78Å; A295-L297 HydrophobicContact CB-CD1 3.96Å; A295-L297 HydrophobicContact CB-CG 3.76Å; A295-L297 PolarHBondContact O-N 3.25Å; L297-V299 PolarHBondContact O-N 3Å |
| 298 | L | 80.2 | Confident | 67.6 | Low | 85 Ų | 85 | 69.9 Ų | 69.9 | 45% | 0.445 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 108.2 | 172 | 178.2 | 68.5 | 0 | 0 | 0 | 109.6 | I195 K300 | I195-L298 HydrophobicContact CB-CB 4.21Å; I195-L298 HydrophobicContact CD1-CD2 4.06Å; I195-L298 PolarHBondContact N-O 2.9Å; I195-L298 PolarHBondContact O-N 3.34Å; L298-K300 HydrophobicContact CD2-CD 4.46Å; L298-K300 HydrophobicContact CG-CG 4.37Å |
| 299 | V | 75.5 | Confident | 65.7 | Low | 30 Ų | 30 | 73 Ų | 73 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 112.9 | 177 | -176 | 0 | 0 | 0 | 0 | 110 | I194 L288 L297 | I194-V299 HydrophobicContact CG1-CG1 4.32Å; I194-V299 HydrophobicContact CG1-CG2 4.32Å; I194-V299 HydrophobicContact CG2-CG2 4.26Å; L288-V299 HydrophobicContact CB-CG1 4.36Å; L288-V299 HydrophobicContact CD1-CG1 4.33Å; L288-V299 HydrophobicContact CD2-CG1 4.32Å; L297-V299 PolarHBondContact O-N 3Å |
| 300 | K | 73.8 | Confident | 63.6 | Low | 113 Ų | 113 | 74.6 Ų | 74.6 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.6 | 170.9 | -69.4 | -177.3 | 173.1 | 179.3 | 0 | 109.9 | R193 L298 | R193-K300 HydrophobicContact CB-CB 4.35Å; R193-K300 PolarHBondContact N-O 3.36Å; R193-K300 PolarHBondContact O-N 3.1Å; R193-K300 VanDerWaalsContact O-O 3.08Å; L298-K300 HydrophobicContact CD2-CD 4.46Å; L298-K300 HydrophobicContact CG-CG 4.37Å |
| 301 | K | 66.8 | Low | 61.5 | Low | 80 Ų | 80 | 74.5 Ų | 74.5 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.1 | 168 | -67 | -167.9 | -171.7 | -178.8 | 0 | 107.9 | W190 L192 S303 V306 | W190-K301 VanDerWaalsContact CH2-NZ 3.3Å; L192-K301 HydrophobicContact CD2-CG 3.88Å; K301-S303 PolarHBondContact O-N 2.87Å; K301-V306 HydrophobicContact CB-CB 4.42Å; K301-V306 HydrophobicContact CB-CG1 4.12Å; K301-V306 HydrophobicContact CB-CG2 3.77Å; K301-V306 HydrophobicContact CD-CG1 3.69Å; K301-V306 HydrophobicContact CG-CG1 4.47Å; K301-V306 HydrophobicContact CG-CG2 4.49Å |
| 302 | E | 58.3 | Low | 59.4 | Low | 56 Ų | 56 | 80.1 Ų | 80.1 | 26% | 0.262 | 42% | 0.424 | S | S | . | . | trans | -77.8 | 112.9 | 173.6 | -70.8 | -166.2 | 168.2 | 0 | 0 | 108.5 | W191 R193 S304 V306 | W191-E302 HydrophobicContact CB-CB 4.29Å; W191-E302 PolarHBondContact O-N 3.15Å; R193-E302 HydrophobicContact CB-CG 3.98Å; R193-E302 IonicContact CZ-OE1 2.77Å; R193-E302 IonicContact NE-OE1 2.65Å; R193-E302 PolarHBondContact NE-OE1 3.12Å; R193-E302 IonicContact NH2-OE1 3.12Å; R193-E302 PolarHBondContact NH2-OE1 2.84Å; R193-E302 VanDerWaalsContact NH2-OE1 3.1Å; E302-S304 PolarHBondContact O-N 2.87Å; E302-S304 VanDerWaalsContact O-N 3.1Å; E302-V306 WeakPolarHBondContact O-CG2 3.24Å | ||
| 303 | S | 46.6 | Very low | 57.7 | Low | 111 Ų | 111 | 86.3 Ų | 86.3 | 78% | 0.776 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.6 | -169.4 | 45.8 | 0 | 0 | 0 | 0 | 114.9 | K301 F305 | K301-S303 PolarHBondContact O-N 2.87Å; S303-F305 VanDerWaalsContact C-N 3.25Å; S303-F305 PolarHBondContact O-N 2.88Å |
| 304 | S | 45.3 | Very low | 56.5 | Low | 78 Ų | 78 | 80.8 Ų | 80.8 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -32.2 | -177.2 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | E302 | E302-S304 PolarHBondContact O-N 2.87Å; E302-S304 VanDerWaalsContact O-N 3.1Å |
| 305 | F | 40.7 | Very low | 55.5 | Low | 100 Ų | 100 | 82.1 Ų | 82.1 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | -0.5 | 179.7 | -72.7 | -85 | 0 | 0 | 0 | 115 | W191 S303 H307 | W191-F305 HydrophobicContact CD2-CB 4.03Å; W191-F305 AromaticContact CD2-CD2 3.97Å; W191-F305 HydrophobicContact CD2-CD2 3.97Å; W191-F305 HydrophobicContact CD2-CG 4.31Å; W191-F305 AromaticContact CE2-CD2 3.82Å; W191-F305 AromaticContact CE2-CG 3.97Å; W191-F305 AromaticContact CE3-CD2 3.83Å; W191-F305 HydrophobicContact CE3-CD2 3.83Å; W191-F305 HydrophobicContact CG-CB 4.19Å; W191-F305 AromaticContact CH2-CD2 3.4Å; W191-F305 HydrophobicContact CH2-CD2 3.4Å; W191-F305 AromaticContact CH2-CE2 3.49Å; W191-F305 HydrophobicContact CH2-CE2 3.49Å; W191-F305 VanDerWaalsContact CH2-CE2 3.49Å; W191-F305 HydrophobicContact CH2-CG 4.26Å; W191-F305 HydrophobicContact CH2-CZ 4.41Å; W191-F305 HydrophobicContact CZ2-CB 4.41Å; W191-F305 AromaticContact CZ2-CD2 3.54Å; W191-F305 HydrophobicContact CZ2-CD2 3.54Å; W191-F305 AromaticContact CZ2-CE2 3.92Å; W191-F305 HydrophobicContact CZ2-CE2 3.92Å; W191-F305 AromaticContact CZ2-CG 3.94Å; W191-F305 HydrophobicContact CZ2-CG 3.94Å; W191-F305 AromaticContact CZ3-CD2 3.56Å; W191-F305 HydrophobicContact CZ3-CD2 3.56Å; W191-F305 AromaticContact CZ3-CE2 3.88Å; W191-F305 HydrophobicContact CZ3-CE2 3.88Å; S303-F305 VanDerWaalsContact C-N 3.25Å; S303-F305 PolarHBondContact O-N 2.88Å; F305-H307 VanDerWaalsContact C-N 3.32Å; F305-H307 PolarHBondContact O-N 3.29Å |
| 306 | V | 40.1 | Very low | 54.8 | Low | 20 Ų | 20 | 82.7 Ų | 82.7 | 12% | 0.121 | 43% | 0.428 | C | S | . | . | trans | -73.2 | 89 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | K301 E302 K308 | K301-V306 HydrophobicContact CB-CB 4.42Å; K301-V306 HydrophobicContact CB-CG1 4.12Å; K301-V306 HydrophobicContact CB-CG2 3.77Å; K301-V306 HydrophobicContact CD-CG1 3.69Å; K301-V306 HydrophobicContact CG-CG1 4.47Å; K301-V306 HydrophobicContact CG-CG2 4.49Å; E302-V306 WeakPolarHBondContact O-CG2 3.24Å; V306-K308 PolarHBondContact O-N 2.61Å | ||
| 307 | H | 47 | Very low | 54.6 | Low | 46 Ų | 46 | 81.2 Ų | 81.2 | 21% | 0.213 | 41% | 0.411 | C | S | . | . | trans | -63.8 | 107.9 | 165.9 | -93.3 | 58.4 | 0 | 0 | 0 | 108.4 | R152 F305 R309 R346 Q350 | R152-H307 PolarHBondContact NH1-CE1 3.26Å; R152-H307 PolarHBondContact NH2-NE2 2.84Å; F305-H307 VanDerWaalsContact C-N 3.32Å; F305-H307 PolarHBondContact O-N 3.29Å; H307-R309 VanDerWaalsContact C-N 3.34Å; H307-R309 PolarHBondContact O-N 3.14Å; H307-R346 PolarHBondContact CD2-NH2 3.43Å; H307-R346 VanDerWaalsContact CD2-NH2 3.34Å; H307-R346 PolarHBondContact CE1-NH1 2.88Å; H307-R346 PolarHBondContact CE1-NH2 2.92Å; H307-R346 VanDerWaalsContact CE1-NH2 3.27Å; H307-R346 VanDerWaalsContact CG-CZ 3.43Å; H307-R346 PolarHBondContact ND1-NH2 3.47Å; H307-R346 PolarHBondContact NE2-NH1 3.08Å; H307-Q350 PolarHBondContact CD2-NE2 2.96Å | ||
| 308 | K | 38.7 | Very low | 54.8 | Low | 174 Ų | 174 | 81.2 Ų | 81.2 | 76% | 0.757 | 41% | 0.412 | S | S | * | . | trans | -59.8 | 95.5 | 173.3 | -76.6 | 179.1 | 175.8 | 176.2 | 0 | 108.2 | V306 S310 | V306-K308 PolarHBondContact O-N 2.61Å; K308-S310 PolarHBondContact O-N 3.16Å | ||
| 309 | R | 42.2 | Very low | 54.9 | Low | 68 Ų | 68 | 79.2 Ų | 79.2 | 26% | 0.257 | 40% | 0.404 | S | S | . | . | trans | -66 | 57.4 | 155.1 | -85 | -168.4 | 178.4 | -152 | 7.7 | 110 | F281 H307 | F281-R309 VanDerWaalsContact CE2-NH2 3.29Å; F281-R309 VanDerWaalsContact CZ-NE 3.27Å; H307-R309 VanDerWaalsContact C-N 3.34Å; H307-R309 PolarHBondContact O-N 3.14Å | ||
| 310 | S | 38.2 | Very low | 54.9 | Low | 101 Ų | 101 | 80.4 Ų | 80.4 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | trans | -84.2 | -15.9 | 170.4 | 44.5 | 0 | 0 | 0 | 0 | 112.1 | K308 | K308-S310 PolarHBondContact O-N 3.16Š| ||
| 311 | D | 41.6 | Very low | 55.2 | Low | 91 Ų | 91 | 77.6 Ų | 77.6 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | trans | -95.2 | 112.3 | 178.3 | 58 | -28.8 | 0 | 0 | 0 | 111.6 | Q313 | D311-Q313 PolarHBondContact O-N 3.27Å; D311-Q313 VanDerWaalsContact O-N 3.12Å | ||
| 312 | L | 39.3 | Very low | 55.8 | Low | 127 Ų | 127 | 77.9 Ų | 77.9 | 67% | 0.665 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 2.9 | -176.3 | -71.3 | 162 | 0 | 0 | 0 | 114.5 | T278 | T278-L312 HydrophobicContact CG2-CD2 3.49Å; T278-L312 VanDerWaalsContact CG2-CD2 3.49Å |
| 313 | Q | 44.9 | Very low | 57 | Low | 190 Ų | 190 | 81.9 Ų | 81.9 | 89% | 0.888 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -1.4 | -174.3 | -67.6 | -175.7 | 6.5 | 0 | 0 | 114.3 | D311 | D311-Q313 PolarHBondContact O-N 3.27Å; D311-Q313 VanDerWaalsContact O-N 3.12Å |
| 314 | Y | 55.2 | Low | 59.1 | Low | 39 Ų | 39 | 77.9 Ų | 77.9 | 15% | 0.153 | 41% | 0.407 | C | S | . | . | trans | -69.4 | 127.5 | -178.9 | 176.6 | -122.7 | 0 | 0 | 0 | 113.4 | P316 L349 Q350 | Y314-P316 HydrophobicContact CD1-CB 3.96Å; Y314-P316 HydrophobicContact CE1-CB 3.39Å; Y314-P316 HydrophobicContact CE1-CG 4.48Å; Y314-P316 VanDerWaalsContact CZ-CA 3.41Å; Y314-P316 WeakPolarHBondContact O-CD 3.36Å; Y314-L349 HydrophobicContact CE2-CB 3.89Å; Y314-Q350 HydrophobicContact CD2-CG 4.03Å; Y314-Q350 HydrophobicContact CE2-CB 4.26Å; Y314-Q350 HydrophobicContact CE2-CG 3.57Å | ||
| 315 | K | 58.7 | Low | 61.2 | Low | 151 Ų | 151 | 75.5 Ų | 75.5 | 66% | 0.657 | 39% | 0.39 | S | S | * | . | trans | -93.7 | 105.9 | 163.7 | -69.5 | -176.8 | -178.3 | 177.1 | 0 | 108.5 | M317 | K315-M317 PolarHBondContact O-N 3.29Š| ||
| 316 | P | 62.5 | Low | 63.7 | Low | 17 Ų | 17 | 71.9 Ų | 71.9 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | trans | -70.7 | 9.9 | -176.7 | 32.1 | -39.2 | 0 | 0 | 0 | 115.2 | S272 Y314 | S272-P316 WeakPolarHBondContact OG-CG 3.21Å; Y314-P316 HydrophobicContact CD1-CB 3.96Å; Y314-P316 HydrophobicContact CE1-CB 3.39Å; Y314-P316 HydrophobicContact CE1-CG 4.48Å; Y314-P316 VanDerWaalsContact CZ-CA 3.41Å; Y314-P316 WeakPolarHBondContact O-CD 3.36Å | ||
| 317 | M | 72.6 | Confident | 66.1 | Low | 27 Ų | 27 | 71.5 Ų | 71.5 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -166.3 | 155 | -166.2 | 63.8 | -169.4 | -49.8 | 0 | 0 | 111.4 | Y184 A185 G273 S274 K315 | Y184-M317 HydrophobicContact CD2-CB 4.4Å; Y184-M317 HydrophobicContact CD2-CE 3.35Å; Y184-M317 HydrophobicContact CE2-CE 3.19Å; Y184-M317 CarbonylContact O-C 3.34Å; Y184-M317 VanDerWaalsContact O-CA 3.24Å; Y184-M317 WeakPolarHBondContact O-CA 3.5Å; Y184-M317 WeakPolarHBondContact O-CB 3.49Å; A185-M317 HydrophobicContact CB-CB 3.53Å; A185-M317 HydrophobicContact CB-CE 4.4Å; G273-M317 VanDerWaalsContact C-CE 3.45Å; G273-M317 VanDerWaalsContact O-SD 3.36Å; S274-M317 WeakPolarHBondContact CA-SD 3.41Å; S274-M317 VanDerWaalsContact N-CE 3.31Å; K315-M317 PolarHBondContact O-N 3.29Å |
| 318 | S | 83.2 | Confident | 68.1 | Low | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | trans | -79.7 | 154.9 | 169.8 | -66 | 0 | 0 | 0 | 0 | 111.6 | Y184 A355 Y356 | Y184-S318 PolarHBondContact O-N 2.97Å; S318-A355 WeakPolarHBondContact CB-O 3.28Å; S318-A355 VanDerWaalsContact OG-C 3.24Å; S318-A355 PolarHBondContact OG-N 3.37Å; S318-A355 PolarHBondContact OG-O 3.49Å; S318-Y356 VanDerWaalsContact CB-CZ 3.4Å | ||
| 319 | P | 81.6 | Confident | 70.6 | Confident | 43 Ų | 43 | 67.8 Ų | 67.8 | 28% | 0.279 | 36% | 0.355 | S | S | . | . | trans | -55 | 146.5 | 172.4 | -25.8 | 37.1 | 0 | 0 | 0 | 112.1 | D324 Y356 | P319-D324 HydrophobicContact CB-CB 3.46Å; P319-D324 VanDerWaalsContact CB-CB 3.46Å; P319-D324 VanDerWaalsContact CB-CG 3.45Å; P319-D324 HydrophobicContact CG-CB 4.23Å; P319-D324 WeakPolarHBondContact CG-OD2 3.16Å; P319-Y356 PolarHBondContact O-OH 2.99Å | ||
| 320 | Q | 76.5 | Confident | 72.8 | Confident | 55 Ų | 55 | 64.7 Ų | 64.7 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | trans | -130.4 | 18.4 | 173.8 | 62.4 | 172 | 45.4 | 0 | 0 | 111.6 | Y184 S274 W327 | Y184-Q320 PolarHBondContact OH-OE1 2.93Å; S274-Q320 PolarHBondContact OG-NE2 2.9Å; Q320-W327 VanDerWaalsContact C-NE1 3.32Å; Q320-W327 HydrophobicContact CB-CD2 4.32Å; Q320-W327 HydrophobicContact CB-CZ2 4.09Å; Q320-W327 PolarHBondContact O-NE1 2.7Å; Q320-W327 VanDerWaalsContact O-NE1 3.08Å | ||
| 321 | S | 79.9 | Confident | 75 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -90 | 148.5 | 178.2 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | D323 D324 W327 | S321-D323 PolarHBondContact O-N 3.1Å; S321-D323 VanDerWaalsContact O-N 3.1Å; S321-D324 PolarHBondContact O-N 2.77Å; S321-D324 VanDerWaalsContact O-N 3.1Å; S321-D324 PolarHBondContact OG-N 3.14Å; S321-W327 VanDerWaalsContact O-CD1 3.3Å |
| 322 | S | 78.3 | Confident | 77.1 | Confident | 85 Ų | 85 | 62.2 Ų | 62.2 | 59% | 0.594 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14.6 | 171.9 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | K328 | S322-K328 WeakPolarHBondContact O-CD 3.45Š|
| 323 | D | 85 | Confident | 79.3 | Confident | 140 Ų | 140 | 59.4 Ų | 59.4 | 75% | 0.749 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -19.6 | 178.9 | -51.9 | -36.4 | 0 | 0 | 0 | 112.2 | S321 | S321-D323 PolarHBondContact O-N 3.1Å; S321-D323 VanDerWaalsContact O-N 3.1Å |
| 324 | D | 89 | Confident | 80.9 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -76.7 | 121.5 | 172.9 | -178.4 | -92 | 0 | 0 | 0 | 109.9 | P319 S321 W326 W327 K328 | P319-D324 HydrophobicContact CB-CB 3.46Å; P319-D324 VanDerWaalsContact CB-CB 3.46Å; P319-D324 VanDerWaalsContact CB-CG 3.45Å; P319-D324 HydrophobicContact CG-CB 4.23Å; P319-D324 WeakPolarHBondContact CG-OD2 3.16Å; S321-D324 PolarHBondContact O-N 2.77Å; S321-D324 VanDerWaalsContact O-N 3.1Å; S321-D324 PolarHBondContact OG-N 3.14Å; D324-W326 VanDerWaalsContact C-N 3.29Å; D324-W326 PolarHBondContact O-N 2.86Å; D324-W326 WeakPolarHBondContact OD1-CA 3.42Å; D324-W326 VanDerWaalsContact OD1-CB 3.28Å; D324-W326 WeakPolarHBondContact OD1-CB 2.71Å; D324-W326 PolarHBondContact OD1-N 2.97Å; D324-W327 HydrophobicContact CB-CB 4.07Å; D324-W327 PolarHBondContact O-N 2.9Å; D324-W327 PolarHBondContact OD1-N 2.76Å; D324-K328 VanDerWaalsContact O-CB 3.23Å; D324-K328 WeakPolarHBondContact O-CB 3.19Å; D324-K328 PolarHBondContact O-N 3.11Å |
| 325 | P | 91.3 | Very high | 81.8 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -27.5 | -172.2 | 29.8 | -37.2 | 0 | 0 | 0 | 112.5 | T329 V397 | P325-T329 VanDerWaalsContact O-CB 3.31Å; P325-T329 WeakPolarHBondContact O-CB 3.32Å; P325-T329 PolarHBondContact O-N 2.64Å; P325-T329 PolarHBondContact O-OG1 2.93Å; P325-V397 HydrophobicContact CB-CG1 3.67Å; P325-V397 HydrophobicContact CG-CG1 4.26Å |
| 326 | W | 92.1 | Very high | 82.2 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.5 | -53.2 | 175.3 | -59.9 | 114 | 0 | 0 | 0 | 110.9 | V69 I167 D324 K328 T329 I330 Y356 L394 V397 | V69-W326 HydrophobicContact CG2-CH2 4.41Å; V69-W326 HydrophobicContact CG2-CZ3 4.31Å; I167-W326 HydrophobicContact CB-CD2 4.12Å; I167-W326 HydrophobicContact CB-CE3 4.25Å; I167-W326 HydrophobicContact CB-CZ2 4.47Å; I167-W326 HydrophobicContact CB-CZ3 4.44Å; I167-W326 HydrophobicContact CD1-CB 3.81Å; I167-W326 HydrophobicContact CD1-CD2 3.99Å; I167-W326 HydrophobicContact CD1-CE3 3.92Å; I167-W326 HydrophobicContact CD1-CG 3.97Å; I167-W326 HydrophobicContact CG2-CD2 4.13Å; I167-W326 HydrophobicContact CG2-CE3 3.81Å; I167-W326 HydrophobicContact CG2-CH2 3.72Å; I167-W326 HydrophobicContact CG2-CZ2 4.08Å; I167-W326 HydrophobicContact CG2-CZ3 3.57Å; D324-W326 VanDerWaalsContact C-N 3.29Å; D324-W326 PolarHBondContact O-N 2.86Å; D324-W326 WeakPolarHBondContact OD1-CA 3.42Å; D324-W326 VanDerWaalsContact OD1-CB 3.28Å; D324-W326 WeakPolarHBondContact OD1-CB 2.71Å; D324-W326 PolarHBondContact OD1-N 2.97Å; W326-K328 PolarHBondContact O-N 2.85Å; W326-T329 WeakPolarHBondContact O-CB 3.14Å; W326-T329 PolarHBondContact O-N 2.79Å; W326-T329 VanDerWaalsContact O-N 3.13Å; W326-I330 WeakPolarHBondContact O-CG1 3.22Å; W326-I330 PolarHBondContact O-N 2.85Å; W326-Y356 HydrophobicContact CB-CE2 4.44Å; W326-L394 HydrophobicContact CE3-CD2 3.79Å; W326-L394 HydrophobicContact CZ3-CB 4.23Å; W326-L394 HydrophobicContact CZ3-CD2 4.26Å; W326-L394 WeakPolarHBondContact CZ3-O 3.44Å; W326-V397 HydrophobicContact CD2-CG1 4.43Å; W326-V397 HydrophobicContact CE3-CB 4.01Å; W326-V397 HydrophobicContact CE3-CG1 4.23Å; W326-V397 HydrophobicContact CE3-CG2 3.61Å; W326-V397 HydrophobicContact CH2-CB 4.25Å; W326-V397 HydrophobicContact CZ3-CB 3.8Å; W326-V397 HydrophobicContact CZ3-CG1 4.38Å; W326-V397 HydrophobicContact CZ3-CG2 3.67Å |
| 327 | W | 89.7 | Confident | 82.4 | Confident | 13 Ų | 13 | 53 Ų | 53 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -50.2 | 178.8 | -177 | -110.7 | 0 | 0 | 0 | 111.6 | I182 Q320 S321 D324 T329 I330 C331 Y336 Y338 Y356 | I182-W327 HydrophobicContact CG2-CH2 4.28Å; I182-W327 HydrophobicContact CG2-CZ3 3.78Å; Q320-W327 VanDerWaalsContact C-NE1 3.32Å; Q320-W327 HydrophobicContact CB-CD2 4.32Å; Q320-W327 HydrophobicContact CB-CZ2 4.09Å; Q320-W327 PolarHBondContact O-NE1 2.7Å; Q320-W327 VanDerWaalsContact O-NE1 3.08Å; S321-W327 VanDerWaalsContact O-CD1 3.3Å; D324-W327 HydrophobicContact CB-CB 4.07Å; D324-W327 PolarHBondContact O-N 2.9Å; D324-W327 PolarHBondContact OD1-N 2.76Å; W327-T329 PolarHBondContact O-N 2.81Å; W327-I330 PolarHBondContact O-N 3.25Å; W327-I330 VanDerWaalsContact O-N 3.11Å; W327-C331 VanDerWaalsContact CD2-SG 3.59Å; W327-C331 VanDerWaalsContact CZ2-SG 3.59Å; W327-C331 PolarHBondContact NE1-SG 3.45Å; W327-C331 WeakPolarHBondContact O-CB 3.47Å; W327-C331 PolarHBondContact O-N 3.4Å; W327-C331 PolarHBondContact O-SG 2.95Å; W327-Y336 HydrophobicContact CZ2-CE2 4.25Å; W327-Y338 HydrophobicContact CH2-CG 4.43Å; W327-Y338 HydrophobicContact CZ2-CG 4.47Å; W327-Y356 HydrophobicContact CD2-CE1 4.39Å; W327-Y356 AromaticContact CE3-CD1 3.99Å; W327-Y356 HydrophobicContact CE3-CD1 3.99Å; W327-Y356 AromaticContact CE3-CE1 3.25Å; W327-Y356 HydrophobicContact CE3-CE1 3.25Å; W327-Y356 AromaticContact CE3-CZ 3.62Å; W327-Y356 AromaticContact CZ3-CD1 3.83Å; W327-Y356 HydrophobicContact CZ3-CD1 3.83Å; W327-Y356 AromaticContact CZ3-CE1 3.5Å; W327-Y356 HydrophobicContact CZ3-CE1 3.5Å; W327-Y356 VanDerWaalsContact CZ3-CE1 3.5Å |
| 328 | K | 89.5 | Confident | 81.9 | Confident | 113 Ų | 113 | 58 Ų | 58 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.9 | -40.6 | 176.8 | -178.2 | -179.7 | -177.7 | 170.9 | 0 | 111.9 | S322 D324 W326 N332 | S322-K328 WeakPolarHBondContact O-CD 3.45Å; D324-K328 VanDerWaalsContact O-CB 3.23Å; D324-K328 WeakPolarHBondContact O-CB 3.19Å; D324-K328 PolarHBondContact O-N 3.11Å; W326-K328 PolarHBondContact O-N 2.85Å; K328-N332 WeakPolarHBondContact O-CB 3.07Å; K328-N332 PolarHBondContact O-N 2.79Å; K328-N332 PolarHBondContact O-ND2 3.12Å; K328-N332 VanDerWaalsContact O-ND2 3.14Å |
| 329 | T | 90.8 | Very high | 80.7 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 17% | 0.172 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.3 | -46 | 178.8 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | P325 W326 W327 C331 N332 L333 A393 L394 V397 | P325-T329 VanDerWaalsContact O-CB 3.31Å; P325-T329 WeakPolarHBondContact O-CB 3.32Å; P325-T329 PolarHBondContact O-N 2.64Å; P325-T329 PolarHBondContact O-OG1 2.93Å; W326-T329 WeakPolarHBondContact O-CB 3.14Å; W326-T329 PolarHBondContact O-N 2.79Å; W326-T329 VanDerWaalsContact O-N 3.13Å; W327-T329 PolarHBondContact O-N 2.81Å; T329-C331 PolarHBondContact O-N 2.8Å; T329-N332 PolarHBondContact O-N 3.49Å; T329-L333 WeakPolarHBondContact O-CG 3.4Å; T329-A393 HydrophobicContact CG2-CB 3.5Å; T329-L394 HydrophobicContact CG2-CD2 4.4Å; T329-V397 HydrophobicContact CG2-CG2 3.91Å; T329-V397 WeakPolarHBondContact OG1-CG2 3.47Å |
| 330 | I | 89.4 | Confident | 79.3 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.7 | -62.2 | 169.4 | 0 | 0 | 0 | 110.2 | I167 I182 W326 W327 N332 L333 F334 Y356 L390 L394 | I167-I330 HydrophobicContact CD1-CD1 4.42Å; I182-I330 HydrophobicContact CD1-CG2 3.41Å; I182-I330 VanDerWaalsContact CD1-CG2 3.41Å; I182-I330 HydrophobicContact CG1-CG2 4.23Å; W326-I330 WeakPolarHBondContact O-CG1 3.22Å; W326-I330 PolarHBondContact O-N 2.85Å; W327-I330 PolarHBondContact O-N 3.25Å; W327-I330 VanDerWaalsContact O-N 3.11Å; I330-N332 VanDerWaalsContact C-N 3.27Å; I330-N332 PolarHBondContact O-N 3.24Å; I330-L333 PolarHBondContact O-N 3.22Å; I330-F334 HydrophobicContact CG2-CZ 3.94Å; I330-Y356 HydrophobicContact CD1-CD2 3.41Å; I330-Y356 VanDerWaalsContact CD1-CD2 3.41Å; I330-Y356 HydrophobicContact CD1-CE2 3.61Å; I330-Y356 HydrophobicContact CD1-CG 3.93Å; I330-L390 HydrophobicContact CG1-CD1 4.06Å; I330-L390 HydrophobicContact CG2-CD1 4.49Å; I330-L394 HydrophobicContact CD1-CD2 4.36Å; I330-L394 HydrophobicContact CG1-CD2 3.89Å |
| 331 | C | 84.2 | Confident | 78.4 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 12% | 0.122 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -23.4 | -175.7 | -67.7 | 0 | 0 | 0 | 0 | 114.6 | W327 T329 Y336 | W327-C331 VanDerWaalsContact CD2-SG 3.59Å; W327-C331 VanDerWaalsContact CZ2-SG 3.59Å; W327-C331 PolarHBondContact NE1-SG 3.45Å; W327-C331 WeakPolarHBondContact O-CB 3.47Å; W327-C331 PolarHBondContact O-N 3.4Å; W327-C331 PolarHBondContact O-SG 2.95Å; T329-C331 PolarHBondContact O-N 2.8Å; C331-Y336 VanDerWaalsContact CA-CE1 3.44Å; C331-Y336 HydrophobicContact CB-CE1 3.6Å; C331-Y336 HydrophobicContact CB-CE2 4.49Å; C331-Y336 VanDerWaalsContact CB-OH 3.26Å; C331-Y336 WeakPolarHBondContact CB-OH 3.4Å; C331-Y336 VanDerWaalsContact O-CE1 3.22Å; C331-Y336 WeakPolarHBondContact O-CE1 3.47Å; C331-Y336 PolarHBondContact SG-OH 3.49Å |
| 332 | N | 86.6 | Confident | 77 | Confident | 122 Ų | 122 | 56.9 Ų | 56.9 | 65% | 0.652 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -9.2 | -178.9 | -73 | -18.2 | 0 | 0 | 0 | 113.7 | K328 T329 I330 | K328-N332 WeakPolarHBondContact O-CB 3.07Å; K328-N332 PolarHBondContact O-N 2.79Å; K328-N332 PolarHBondContact O-ND2 3.12Å; K328-N332 VanDerWaalsContact O-ND2 3.14Å; T329-N332 PolarHBondContact O-N 3.49Å; I330-N332 VanDerWaalsContact C-N 3.27Å; I330-N332 PolarHBondContact O-N 3.24Å |
| 333 | L | 84.3 | Confident | 75.9 | Confident | 69 Ų | 69 | 54.9 Ų | 54.9 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -34.3 | -169.6 | -73.5 | 170.8 | 0 | 0 | 0 | 114.8 | T329 I330 L390 A393 | T329-L333 WeakPolarHBondContact O-CG 3.4Å; I330-L333 PolarHBondContact O-N 3.22Å; L333-L390 HydrophobicContact CD1-CB 4.23Å; L333-L390 HydrophobicContact CD1-CD1 3.71Å; L333-A393 HydrophobicContact CD1-CB 3.79Å; L333-A393 HydrophobicContact CD2-CB 4.05Å; L333-A393 HydrophobicContact CG-CB 4.35Å |
| 334 | F | 78.5 | Confident | 74.8 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -150 | 162.3 | -173.6 | 42.9 | -97.9 | 0 | 0 | 0 | 110.4 | Y180 I182 I330 Y336 F358 T386 L390 | Y180-F334 HydrophobicContact CD2-CB 3.84Å; Y180-F334 AromaticContact CD2-CD2 3.6Å; Y180-F334 HydrophobicContact CD2-CD2 3.6Å; Y180-F334 HydrophobicContact CD2-CE2 4.32Å; Y180-F334 AromaticContact CD2-CG 3.79Å; Y180-F334 HydrophobicContact CD2-CG 3.79Å; Y180-F334 HydrophobicContact CE2-CB 4.05Å; Y180-F334 HydrophobicContact CE2-CG 4.28Å; Y180-F334 HydrophobicContact CG-CD2 4.2Å; I182-F334 HydrophobicContact CD1-CE2 3.86Å; I182-F334 HydrophobicContact CD1-CZ 4.24Å; I182-F334 HydrophobicContact CG1-CE2 4.22Å; I330-F334 HydrophobicContact CG2-CZ 3.94Å; F334-Y336 VanDerWaalsContact O-CD1 3.29Å; F334-Y336 WeakPolarHBondContact O-CD1 3.29Å; F334-Y336 PolarHBondContact O-N 2.83Å; F334-F358 HydrophobicContact CD2-CE2 4.44Å; F334-F358 HydrophobicContact CE1-CE2 4.19Å; F334-F358 AromaticContact CE1-CZ 3.87Å; F334-F358 HydrophobicContact CE1-CZ 3.87Å; F334-F358 HydrophobicContact CE2-CD2 4.36Å; F334-F358 AromaticContact CE2-CE2 3.47Å; F334-F358 HydrophobicContact CE2-CE2 3.47Å; F334-F358 VanDerWaalsContact CE2-CE2 3.47Å; F334-F358 AromaticContact CE2-CZ 3.94Å; F334-F358 HydrophobicContact CE2-CZ 3.94Å; F334-F358 HydrophobicContact CZ-CD2 4.11Å; F334-F358 HydrophobicContact CZ-CE1 4.33Å; F334-F358 AromaticContact CZ-CE2 3.32Å; F334-F358 HydrophobicContact CZ-CE2 3.32Å; F334-F358 AromaticContact CZ-CZ 3.47Å; F334-F358 HydrophobicContact CZ-CZ 3.47Å; F334-F358 VanDerWaalsContact CZ-CZ 3.47Å; F334-T386 HydrophobicContact CD1-CG2 4.38Å; F334-L390 HydrophobicContact CE1-CD1 4.38Å |
| 335 | T | 74.5 | Confident | 73.8 | Confident | 115 Ų | 115 | 47.3 Ų | 47.3 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | trans | -70.3 | 126.5 | 168 | -54.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 336 | Y | 66.8 | Low | 72.7 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156.1 | -176.1 | 63.4 | -79.7 | 0 | 0 | 0 | 111.9 | Y180 I182 W327 C331 F334 Y338 | Y180-Y336 WeakPolarHBondContact O-CA 3.19Å; I182-Y336 HydrophobicContact CD1-CD2 3.81Å; I182-Y336 HydrophobicContact CD1-CG 3.83Å; W327-Y336 HydrophobicContact CZ2-CE2 4.25Å; C331-Y336 VanDerWaalsContact CA-CE1 3.44Å; C331-Y336 HydrophobicContact CB-CE1 3.6Å; C331-Y336 HydrophobicContact CB-CE2 4.49Å; C331-Y336 VanDerWaalsContact CB-OH 3.26Å; C331-Y336 WeakPolarHBondContact CB-OH 3.4Å; C331-Y336 VanDerWaalsContact O-CE1 3.22Å; C331-Y336 WeakPolarHBondContact O-CE1 3.47Å; C331-Y336 PolarHBondContact SG-OH 3.49Å; F334-Y336 VanDerWaalsContact O-CD1 3.29Å; F334-Y336 WeakPolarHBondContact O-CD1 3.29Å; F334-Y336 PolarHBondContact O-N 2.83Å; Y336-Y338 HydrophobicContact CD2-CD1 4.09Å; Y336-Y338 AromaticContact CE2-CD1 3.77Å; Y336-Y338 HydrophobicContact CE2-CD1 3.77Å; Y336-Y338 HydrophobicContact CE2-CE1 4.48Å |
| 337 | S | 67.2 | Low | 72 | Confident | 40 Ų | 40 | 48 Ų | 48 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 149.9 | 155.6 | 66 | 0 | 0 | 0 | 0 | 107.6 | Y180 R181 I182 | Y180-S337 PolarHBondContact O-N 2.74Å; Y180-S337 VanDerWaalsContact O-O 3.12Å; Y180-S337 PolarHBondContact O-OG 2.61Å; R181-S337 WeakPolarHBondContact CA-O 3.38Å; R181-S337 WeakPolarHBondContact CG-OG 3.39Å; I182-S337 PolarHBondContact N-O 3.36Å |
| 338 | Y | 62.5 | Low | 71.7 | Confident | 133 Ų | 133 | 47.4 Ų | 47.4 | 52% | 0.522 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.1 | 177.4 | 57.1 | -86.1 | 0 | 0 | 0 | 109.8 | I182 Y184 W327 Y336 | I182-Y338 WeakPolarHBondContact O-CA 3.3Å; Y184-Y338 HydrophobicContact CD1-CD2 4.48Å; Y184-Y338 AromaticContact CE1-CD2 3.82Å; Y184-Y338 HydrophobicContact CE1-CD2 3.82Å; W327-Y338 HydrophobicContact CH2-CG 4.43Å; W327-Y338 HydrophobicContact CZ2-CG 4.47Å; Y336-Y338 HydrophobicContact CD2-CD1 4.09Å; Y336-Y338 AromaticContact CE2-CD1 3.77Å; Y336-Y338 HydrophobicContact CE2-CD1 3.77Å; Y336-Y338 HydrophobicContact CE2-CE1 4.48Å |
| 339 | S | 57.8 | Low | 71.1 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 173.7 | 179.8 | -165.3 | 0 | 0 | 0 | 0 | 108.4 | I182 Y183 Y184 R271 | I182-S339 PolarHBondContact O-N 2.66Å; I182-S339 VanDerWaalsContact O-O 3.1Å; Y183-S339 VanDerWaalsContact CA-O 3.29Å; Y183-S339 WeakPolarHBondContact CA-O 3.47Å; Y184-S339 VanDerWaalsContact CD1-O 3.26Å; Y184-S339 WeakPolarHBondContact CD1-O 3.47Å; Y184-S339 VanDerWaalsContact CE1-O 3.32Å; Y184-S339 WeakPolarHBondContact CE1-O 3.3Å; R271-S339 PolarHBondContact NH2-OG 3.01Å |
| 340 | V | 52.1 | Low | 70.4 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.5 | 175.2 | 166 | 0 | 0 | 0 | 0 | 108.9 | Y184 A185 R271 S272 | Y184-V340 HydrophobicContact CD1-CG2 4.27Å; Y184-V340 HydrophobicContact CD2-CG2 4.31Å; Y184-V340 HydrophobicContact CE1-CG2 3.53Å; Y184-V340 HydrophobicContact CE2-CG2 3.57Å; Y184-V340 VanDerWaalsContact OH-CG2 3.23Å; Y184-V340 WeakPolarHBondContact OH-CG2 3.47Å; A185-V340 HydrophobicContact CB-CB 4.38Å; A185-V340 HydrophobicContact CB-CG1 3.8Å; A185-V340 HydrophobicContact CB-CG2 3.98Å; A185-V340 WeakPolarHBondContact O-CG1 3.25Å; R271-V340 HydrophobicContact CG-CB 4.01Å; R271-V340 HydrophobicContact CG-CG1 3.33Å; R271-V340 VanDerWaalsContact NE-CG1 3.27Å; R271-V340 PolarHBondContact NE-O 3.25Å; R271-V340 PolarHBondContact NH2-O 2.76Å; S272-V340 VanDerWaalsContact O-CG1 3.23Å; S272-V340 WeakPolarHBondContact O-CG1 3.42Å; S272-V340 VanDerWaalsContact O-CG2 3.24Å; S272-V340 WeakPolarHBondContact O-CG2 3.42Å |
| 341 | A | 56.5 | Low | 70 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 171.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y183 A185 E186 R187 I344 | Y183-A341 HydrophobicContact CD1-CB 3.53Å; Y183-A341 HydrophobicContact CE1-CB 4.28Å; Y183-A341 HydrophobicContact CG-CB 3.73Å; A185-A341 PolarHBondContact O-N 2.78Å; E186-A341 CarbonylContact C-O 3.51Å; E186-A341 WeakPolarHBondContact CA-O 3.48Å; R187-A341 PolarHBondContact N-O 2.76Å; R187-A341 VanDerWaalsContact N-O 3.08Å; A341-I344 HydrophobicContact CB-CB 3.93Å; A341-I344 HydrophobicContact CB-CD1 3.35Å; A341-I344 HydrophobicContact CB-CG1 3.54Å |
| 342 | S | 51 | Low | 69.9 | Low | 69 Ų | 69 | 49.8 Ų | 49.8 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -79.5 | -34.7 | 173.8 | 39 | 0 | 0 | 0 | 0 | 114.2 | E186 | E186-S342 WeakPolarHBondContact CG-O 3.25Š|
| 343 | S | 54.7 | Low | 70 | Confident | 42 Ų | 42 | 44.9 Ų | 44.9 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -133.6 | -13.1 | -165.2 | 39 | 0 | 0 | 0 | 0 | 115.5 | ||
| 344 | I | 62.8 | Low | 70.3 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 134 | -159.4 | -52.3 | 173.1 | 0 | 0 | 0 | 112.8 | D170 E171 Y183 A341 R346 G357 | D170-I344 HydrophobicContact CB-CG2 3.54Å; E171-I344 HydrophobicContact CG-CD1 3.96Å; E171-I344 HydrophobicContact CG-CG1 3.68Å; E171-I344 HydrophobicContact CG-CG2 4.23Å; E171-I344 WeakPolarHBondContact O-CD1 3.41Å; E171-I344 WeakPolarHBondContact O-CG2 3.47Å; Y183-I344 HydrophobicContact CD2-CD1 3.81Å; Y183-I344 HydrophobicContact CE2-CD1 4.48Å; Y183-I344 HydrophobicContact CG-CD1 3.91Å; A341-I344 HydrophobicContact CB-CB 3.93Å; A341-I344 HydrophobicContact CB-CD1 3.35Å; A341-I344 HydrophobicContact CB-CG1 3.54Å; I344-R346 VanDerWaalsContact C-N 3.29Å; I344-R346 PolarHBondContact O-N 3.28Å; I344-G357 VanDerWaalsContact CG2-CA 3.5Å |
| 345 | G | 66.8 | Low | 70.9 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 4.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | D170 Q347 Y348 L349 | D170-G345 VanDerWaalsContact OD2-CA 3.3Å; D170-G345 WeakPolarHBondContact OD2-CA 3.35Å; D170-G345 PolarHBondContact OD2-N 3.3Å; G345-Q347 PolarHBondContact O-N 2.83Å; G345-Y348 WeakPolarHBondContact O-CD2 3.2Å; G345-Y348 PolarHBondContact O-N 2.96Å; G345-L349 WeakPolarHBondContact O-CG 3.44Å; G345-L349 PolarHBondContact O-N 2.88Å; G345-L349 VanDerWaalsContact O-N 3.12Å |
| 346 | R | 69.8 | Low | 71.6 | Confident | 45 Ų | 45 | 35.9 Ų | 35.9 | 17% | 0.17 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.8 | -47 | -170.4 | 177.3 | -172.1 | -160.4 | -171.5 | 28.5 | 114.3 | E186 H307 I344 Y348 L349 Q350 | E186-R346 WeakPolarHBondContact OE1-CD 3.45Å; E186-R346 IonicContact OE1-CZ 3.76Å; E186-R346 IonicContact OE1-NE 2.67Å; E186-R346 WeakPolarHBondContact OE2-CB 3.4Å; E186-R346 WeakPolarHBondContact OE2-CD 3.41Å; E186-R346 WeakPolarHBondContact OE2-CG 3.32Å; E186-R346 IonicContact OE2-NE 2.66Å; H307-R346 PolarHBondContact CD2-NH2 3.43Å; H307-R346 VanDerWaalsContact CD2-NH2 3.34Å; H307-R346 PolarHBondContact CE1-NH1 2.88Å; H307-R346 PolarHBondContact CE1-NH2 2.92Å; H307-R346 VanDerWaalsContact CE1-NH2 3.27Å; H307-R346 VanDerWaalsContact CG-CZ 3.43Å; H307-R346 PolarHBondContact ND1-NH2 3.47Å; H307-R346 PolarHBondContact NE2-NH1 3.08Å; I344-R346 VanDerWaalsContact C-N 3.29Å; I344-R346 PolarHBondContact O-N 3.28Å; R346-Y348 VanDerWaalsContact C-N 3.26Å; R346-Y348 PolarHBondContact O-N 2.76Å; R346-L349 PolarHBondContact O-N 3.02Å; R346-Q350 WeakPolarHBondContact O-CG 3.45Å; R346-Q350 PolarHBondContact O-N 2.89Å |
| 347 | Q | 77.4 | Confident | 72.6 | Confident | 22 Ų | 22 | 32.4 Ų | 32.4 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.1 | -31 | -171.4 | -46.8 | 94.4 | 28.8 | 0 | 0 | 110.7 | M151 R152 V155 G345 | M151-Q347 HydrophobicContact CB-CG 4.47Å; M151-Q347 VanDerWaalsContact CB-OE1 3.31Å; M151-Q347 HydrophobicContact CG-CB 4.38Å; M151-Q347 HydrophobicContact CG-CG 4.49Å; R152-Q347 HydrophobicContact CB-CG 4.03Å; V155-Q347 HydrophobicContact CG1-CB 3.97Å; V155-Q347 HydrophobicContact CG2-CB 3.97Å; G345-Q347 PolarHBondContact O-N 2.83Å |
| 348 | Y | 82.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.3 | -45.9 | 175.3 | -46.1 | -73.9 | 0 | 0 | 0 | 112.3 | F70 N72 M151 V155 F160 C168 D170 G345 R346 Q350 K351 G352 I353 A355 | F70-Y348 AromaticContact CD1-CE1 3.9Å; F70-Y348 HydrophobicContact CD1-CE1 3.9Å; F70-Y348 AromaticContact CE1-CE1 3.7Å; F70-Y348 HydrophobicContact CE1-CE1 3.7Å; F70-Y348 AromaticContact CE1-CZ 4Å; N72-Y348 WeakPolarHBondContact CB-OH 3.29Å; N72-Y348 PolarHBondContact ND2-OH 2.83Å; N72-Y348 VanDerWaalsContact ND2-OH 3.1Å; N72-Y348 PolarHBondContact OD1-OH 2.81Å; M151-Y348 HydrophobicContact CE-CE1 3.68Å; M151-Y348 HydrophobicContact CG-CE1 4.14Å; M151-Y348 HydrophobicContact CG-CE2 4.39Å; M151-Y348 VanDerWaalsContact CG-OH 3.27Å; M151-Y348 WeakPolarHBondContact CG-OH 3.31Å; M151-Y348 HydrophobicContact SD-CE1 3.99Å; M151-Y348 PolarHBondContact SD-OH 2.85Å; V155-Y348 HydrophobicContact CG1-CD1 4.3Å; V155-Y348 HydrophobicContact CG1-CE1 4.4Å; F160-Y348 HydrophobicContact CE2-CD1 4.41Å; F160-Y348 HydrophobicContact CE2-CE1 4.13Å; F160-Y348 AromaticContact CZ-CD1 3.92Å; F160-Y348 HydrophobicContact CZ-CD1 3.92Å; F160-Y348 HydrophobicContact CZ-CE1 4.11Å; C168-Y348 HydrophobicContact CB-CD1 4Å; C168-Y348 HydrophobicContact CB-CD2 3.97Å; C168-Y348 HydrophobicContact CB-CE1 4.31Å; C168-Y348 HydrophobicContact CB-CE2 4.33Å; C168-Y348 HydrophobicContact CB-CG 3.81Å; C168-Y348 VanDerWaalsContact SG-CD2 3.58Å; C168-Y348 WeakPolarHBondContact SG-CE2 3.39Å; D170-Y348 HydrophobicContact CB-CE2 4.49Å; G345-Y348 WeakPolarHBondContact O-CD2 3.2Å; G345-Y348 PolarHBondContact O-N 2.96Å; R346-Y348 VanDerWaalsContact C-N 3.26Å; R346-Y348 PolarHBondContact O-N 2.76Å; Y348-Q350 PolarHBondContact O-N 3.19Å; Y348-K351 CarbonylContact O-C 3.57Å; Y348-K351 WeakPolarHBondContact O-CA 3.47Å; Y348-K351 WeakPolarHBondContact O-CB 3.29Å; Y348-K351 PolarHBondContact O-N 3.13Å; Y348-G352 PolarHBondContact O-N 3.25Å; Y348-I353 WeakPolarHBondContact O-CB 3.34Å; Y348-I353 PolarHBondContact O-N 3.2Å; Y348-A355 HydrophobicContact CD2-CB 4.11Å; Y348-A355 HydrophobicContact CG-CB 4.41Å |
| 349 | L | 77.7 | Confident | 74.9 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.8 | -34 | 179 | -69.6 | 170.8 | 0 | 0 | 0 | 111.4 | Y314 G345 R346 K351 G352 A355 | Y314-L349 HydrophobicContact CE2-CB 3.89Å; G345-L349 WeakPolarHBondContact O-CG 3.44Å; G345-L349 PolarHBondContact O-N 2.88Å; G345-L349 VanDerWaalsContact O-N 3.12Å; R346-L349 PolarHBondContact O-N 3.02Å; L349-K351 PolarHBondContact O-N 2.99Å; L349-G352 PolarHBondContact O-N 3.38Å; L349-A355 HydrophobicContact CD2-CB 4.3Å; L349-A355 HydrophobicContact CG-CB 4.15Å |
| 350 | Q | 74.7 | Confident | 76.4 | Confident | 63 Ų | 63 | 22.2 Ų | 22.2 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.4 | -25.7 | 174.4 | -74.1 | 175.3 | 6.1 | 0 | 0 | 113.1 | H307 Y314 R346 Y348 G352 | H307-Q350 PolarHBondContact CD2-NE2 2.96Å; Y314-Q350 HydrophobicContact CD2-CG 4.03Å; Y314-Q350 HydrophobicContact CE2-CB 4.26Å; Y314-Q350 HydrophobicContact CE2-CG 3.57Å; R346-Q350 WeakPolarHBondContact O-CG 3.45Å; R346-Q350 PolarHBondContact O-N 2.89Å; Y348-Q350 PolarHBondContact O-N 3.19Å; Q350-G352 VanDerWaalsContact C-N 3.32Å |
| 351 | K | 82 | Confident | 78.3 | Confident | 81 Ų | 81 | 21.9 Ų | 21.9 | 35% | 0.352 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.6 | 173.8 | -58.8 | -57.9 | 178.2 | -174.5 | 0 | 113.2 | V155 E156 Y348 L349 I353 | V155-K351 HydrophobicContact CB-CG 4.15Å; V155-K351 HydrophobicContact CG2-CG 4.46Å; V155-K351 WeakPolarHBondContact O-CE 3.41Å; E156-K351 WeakPolarHBondContact OE1-CE 3.27Å; E156-K351 IonicContact OE1-NZ 2.69Å; E156-K351 PolarHBondContact OE1-NZ 3.15Å; E156-K351 IonicContact OE2-NZ 3.21Å; E156-K351 PolarHBondContact OE2-NZ 3.04Å; Y348-K351 CarbonylContact O-C 3.57Å; Y348-K351 WeakPolarHBondContact O-CA 3.47Å; Y348-K351 WeakPolarHBondContact O-CB 3.29Å; Y348-K351 PolarHBondContact O-N 3.13Å; L349-K351 PolarHBondContact O-N 2.99Å; K351-I353 HydrophobicContact CB-CD1 3.88Å; K351-I353 HydrophobicContact CB-CG1 4.12Å; K351-I353 PolarHBondContact O-N 2.82Å |
| 352 | G | 82.1 | Confident | 79.9 | Confident | 62 Ų | 62 | 21.7 Ų | 21.7 | 64% | 0.639 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 13.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y348 L349 Q350 | Y348-G352 PolarHBondContact O-N 3.25Å; L349-G352 PolarHBondContact O-N 3.38Å; Q350-G352 VanDerWaalsContact C-N 3.32Å |
| 353 | I | 89.1 | Confident | 82 | Confident | 20 Ų | 20 | 24.7 Ų | 24.7 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | trans | -84.8 | 135.5 | 177.5 | -62.6 | 166.2 | 0 | 0 | 0 | 108.6 | F160 V165 C168 Y348 K351 A355 | F160-I353 HydrophobicContact CE1-CD1 3.58Å; F160-I353 HydrophobicContact CZ-CD1 3.8Å; V165-I353 HydrophobicContact CB-CD1 4.1Å; V165-I353 HydrophobicContact CB-CG2 4.43Å; V165-I353 HydrophobicContact CG1-CD1 4.36Å; V165-I353 HydrophobicContact CG1-CG2 3.66Å; C168-I353 HydrophobicContact CB-CG2 4.48Å; Y348-I353 WeakPolarHBondContact O-CB 3.34Å; Y348-I353 PolarHBondContact O-N 3.2Å; K351-I353 HydrophobicContact CB-CD1 3.88Å; K351-I353 HydrophobicContact CB-CG1 4.12Å; K351-I353 PolarHBondContact O-N 2.82Å; I353-A355 PolarHBondContact O-N 3.18Å | ||
| 354 | V | 90.7 | Very high | 83.8 | Confident | 24 Ų | 24 | 22.8 Ų | 22.8 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.4 | 174 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | I167 C168 Y356 | I167-V354 CarbonylContact C-O 3.48Å; I167-V354 VanDerWaalsContact CA-O 3.26Å; I167-V354 WeakPolarHBondContact CA-O 3.46Å; I167-V354 HydrophobicContact CB-CB 4.49Å; I167-V354 HydrophobicContact CD1-CG1 4.2Å; I167-V354 HydrophobicContact CG1-CB 4.45Å; I167-V354 HydrophobicContact CG1-CG1 4.2Å; C168-V354 PolarHBondContact N-O 2.95Å; V354-Y356 HydrophobicContact CG1-CD2 4.04Å; V354-Y356 HydrophobicContact CG1-CE2 3.33Å |
| 355 | A | 89.3 | Confident | 85.3 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | C168 S318 Y348 L349 I353 | C168-A355 HydrophobicContact CB-CB 4.01Å; C168-A355 CarbonylContact O-C 3.48Å; C168-A355 VanDerWaalsContact O-CA 3.27Å; C168-A355 WeakPolarHBondContact O-CA 3.46Å; S318-A355 WeakPolarHBondContact CB-O 3.28Å; S318-A355 VanDerWaalsContact OG-C 3.24Å; S318-A355 PolarHBondContact OG-N 3.37Å; S318-A355 PolarHBondContact OG-O 3.49Å; Y348-A355 HydrophobicContact CD2-CB 4.11Å; Y348-A355 HydrophobicContact CG-CB 4.41Å; L349-A355 HydrophobicContact CD2-CB 4.3Å; L349-A355 HydrophobicContact CG-CB 4.15Å; I353-A355 PolarHBondContact O-N 3.18Å |
| 356 | Y | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.2 | 172.8 | -60.2 | -79.1 | 0 | 0 | 0 | 111.1 | I167 C168 L169 D170 I182 Y183 S318 P319 W326 W327 I330 V354 | I167-Y356 HydrophobicContact CD1-CD2 3.77Å; I167-Y356 HydrophobicContact CD1-CE2 3.82Å; I167-Y356 HydrophobicContact CG1-CD2 4.4Å; C168-Y356 PolarHBondContact O-N 2.8Å; L169-Y356 CarbonylContact C-O 3.26Å; L169-Y356 WeakPolarHBondContact CA-O 3.48Å; D170-Y356 PolarHBondContact N-O 2.9Å; I182-Y356 HydrophobicContact CG2-CD1 4.05Å; I182-Y356 HydrophobicContact CG2-CG 4.43Å; Y183-Y356 CarbonylContact O-C 3.58Å; Y183-Y356 WeakPolarHBondContact O-CA 3.5Å; S318-Y356 VanDerWaalsContact CB-CZ 3.4Å; P319-Y356 PolarHBondContact O-OH 2.99Å; W326-Y356 HydrophobicContact CB-CE2 4.44Å; W327-Y356 HydrophobicContact CD2-CE1 4.39Å; W327-Y356 AromaticContact CE3-CD1 3.99Å; W327-Y356 HydrophobicContact CE3-CD1 3.99Å; W327-Y356 AromaticContact CE3-CE1 3.25Å; W327-Y356 HydrophobicContact CE3-CE1 3.25Å; W327-Y356 AromaticContact CE3-CZ 3.62Å; W327-Y356 AromaticContact CZ3-CD1 3.83Å; W327-Y356 HydrophobicContact CZ3-CD1 3.83Å; W327-Y356 AromaticContact CZ3-CE1 3.5Å; W327-Y356 HydrophobicContact CZ3-CE1 3.5Å; W327-Y356 VanDerWaalsContact CZ3-CE1 3.5Å; I330-Y356 HydrophobicContact CD1-CD2 3.41Å; I330-Y356 VanDerWaalsContact CD1-CD2 3.41Å; I330-Y356 HydrophobicContact CD1-CE2 3.61Å; I330-Y356 HydrophobicContact CD1-CG 3.93Å; V354-Y356 HydrophobicContact CG1-CD2 4.04Å; V354-Y356 HydrophobicContact CG1-CE2 3.33Å |
| 357 | G | 88.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D170 E171 I182 Y183 I344 | D170-G357 CarbonylContact O-C 3.57Å; D170-G357 VanDerWaalsContact O-CA 3.31Å; D170-G357 WeakPolarHBondContact O-CA 3.47Å; E171-G357 CarbonylContact O-C 3.58Å; E171-G357 VanDerWaalsContact O-C 3.26Å; E171-G357 WeakPolarHBondContact O-CA 3.41Å; I182-G357 WeakPolarHBondContact CA-O 3.18Å; Y183-G357 PolarHBondContact N-O 2.82Å; Y183-G357 PolarHBondContact O-N 2.81Å; I344-G357 VanDerWaalsContact CG2-CA 3.5Å |
| 358 | F | 88.9 | Confident | 88.1 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 125.7 | -178.6 | 177.7 | -104.2 | 0 | 0 | 0 | 113.9 | V112 D170 E171 Y180 I182 F334 P360 T386 Y387 L390 | V112-F358 VanDerWaalsContact CG1-O 3.23Å; V112-F358 WeakPolarHBondContact CG1-O 3.28Å; D170-F358 PolarHBondContact O-N 3.11Å; E171-F358 PolarHBondContact O-N 3.27Å; Y180-F358 HydrophobicContact CD1-CZ 4.5Å; Y180-F358 HydrophobicContact CG-CE2 4.21Å; Y180-F358 HydrophobicContact CG-CZ 4.37Å; I182-F358 HydrophobicContact CG1-CD2 3.79Å; I182-F358 HydrophobicContact CG1-CE2 4.3Å; F334-F358 HydrophobicContact CD2-CE2 4.44Å; F334-F358 HydrophobicContact CE1-CE2 4.19Å; F334-F358 AromaticContact CE1-CZ 3.87Å; F334-F358 HydrophobicContact CE1-CZ 3.87Å; F334-F358 HydrophobicContact CE2-CD2 4.36Å; F334-F358 AromaticContact CE2-CE2 3.47Å; F334-F358 HydrophobicContact CE2-CE2 3.47Å; F334-F358 VanDerWaalsContact CE2-CE2 3.47Å; F334-F358 AromaticContact CE2-CZ 3.94Å; F334-F358 HydrophobicContact CE2-CZ 3.94Å; F334-F358 HydrophobicContact CZ-CD2 4.11Å; F334-F358 HydrophobicContact CZ-CE1 4.33Å; F334-F358 AromaticContact CZ-CE2 3.32Å; F334-F358 HydrophobicContact CZ-CE2 3.32Å; F334-F358 AromaticContact CZ-CZ 3.47Å; F334-F358 HydrophobicContact CZ-CZ 3.47Å; F334-F358 VanDerWaalsContact CZ-CZ 3.47Å; F358-P360 HydrophobicContact CE1-CB 4.07Å; F358-P360 HydrophobicContact CE1-CG 4.1Å; F358-P360 HydrophobicContact CZ-CB 4.09Å; F358-T386 HydrophobicContact CE1-CG2 4.25Å; F358-T386 HydrophobicContact CZ-CG2 4Å; F358-Y387 AromaticContact CD1-CE1 3.66Å; F358-Y387 HydrophobicContact CD1-CE1 3.66Å; F358-Y387 HydrophobicContact CE1-CD1 4.37Å; F358-Y387 AromaticContact CE1-CE1 3.85Å; F358-Y387 HydrophobicContact CE1-CE1 3.85Å; F358-Y387 PolarHBondContact O-OH 2.85Å; F358-L390 HydrophobicContact CD1-CD2 3.5Å; F358-L390 VanDerWaalsContact CD1-CD2 3.5Å; F358-L390 HydrophobicContact CE1-CD2 3.54Å; F358-L390 HydrophobicContact CG-CD2 4.33Å; F358-L390 HydrophobicContact CZ-CD2 4.39Å |
| 359 | S | 88.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 122.4 | 170.5 | -46.2 | 0 | 0 | 0 | 0 | 111.2 | V112 G172 I361 | V112-S359 WeakPolarHBondContact CG1-OG 3.45Å; V112-S359 WeakPolarHBondContact CG2-OG 3.31Å; G172-S359 WeakPolarHBondContact CA-OG 3.36Å; G172-S359 PolarHBondContact N-OG 3.23Å; G172-S359 PolarHBondContact O-OG 3.44Å; S359-I361 PolarHBondContact O-N 2.98Å |
| 360 | P | 90.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | trans | -81.2 | 62.6 | 166.1 | 34 | -33.3 | 0 | 0 | 0 | 109.4 | R116 Y180 F358 T386 Y387 | R116-P360 PolarHBondContact NH1-O 2.72Å; Y180-P360 HydrophobicContact CD1-CB 4.21Å; Y180-P360 VanDerWaalsContact CE1-CA 3.44Å; Y180-P360 HydrophobicContact CE1-CB 3.69Å; F358-P360 HydrophobicContact CE1-CB 4.07Å; F358-P360 HydrophobicContact CE1-CG 4.1Å; F358-P360 HydrophobicContact CZ-CB 4.09Å; P360-T386 HydrophobicContact CB-CG2 3.76Å; P360-T386 HydrophobicContact CG-CG2 4.49Å; P360-Y387 WeakPolarHBondContact CD-OH 3.29Å; P360-Y387 HydrophobicContact CG-CD2 3.72Å; P360-Y387 HydrophobicContact CG-CE1 4.26Å; P360-Y387 HydrophobicContact CG-CE2 3.27Å; P360-Y387 HydrophobicContact CG-CG 4.37Å | ||
| 361 | I | 91.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -117.3 | 114.8 | 166.5 | -64.8 | -178 | 0 | 0 | 0 | 106.9 | S111 A174 S175 S359 T364 L375 T379 | S111-I361 WeakPolarHBondContact O-CD1 3.36Å; S111-I361 WeakPolarHBondContact O-CG1 3.43Å; A174-I361 HydrophobicContact CB-CB 4.2Å; A174-I361 HydrophobicContact CB-CG2 3.57Å; S175-I361 PolarHBondContact N-O 2.65Å; S359-I361 PolarHBondContact O-N 2.98Å; I361-T364 VanDerWaalsContact CG2-CB 3.44Å; I361-T364 HydrophobicContact CG2-CG2 3.92Å; I361-T364 WeakPolarHBondContact CG2-OG1 3.5Å; I361-L375 HydrophobicContact CD1-CD1 3.83Å; I361-L375 HydrophobicContact CD1-CD2 4.39Å; I361-L375 HydrophobicContact CG1-CD1 3.95Å; I361-L375 HydrophobicContact CG2-CD1 4.03Å; I361-T379 HydrophobicContact CG2-CG2 4.28Å | ||
| 362 | V | 91.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | trans | -126.6 | 163.2 | 177 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | S175 D177 Y180 T364 | S175-V362 CarbonylContact O-C 3.45Å; S175-V362 VanDerWaalsContact O-C 3.26Å; S175-V362 WeakPolarHBondContact O-CA 3.35Å; D177-V362 WeakPolarHBondContact O-CB 3.47Å; Y180-V362 HydrophobicContact CD1-CG1 3.35Å; Y180-V362 HydrophobicContact CE1-CB 4.4Å; Y180-V362 HydrophobicContact CE1-CG1 3.46Å; Y180-V362 VanDerWaalsContact CE1-CG1 3.46Å; Y180-V362 HydrophobicContact CE1-CG2 4.1Å; Y180-V362 HydrophobicContact CG-CG1 4.14Å; V362-T364 PolarHBondContact O-N 2.88Å; V362-T364 VanDerWaalsContact O-N 3.11Å; V362-T364 PolarHBondContact O-OG1 2.82Å | ||
| 363 | Q | 93.2 | Very high | 91.2 | Very high | 131 Ų | 131 | 29.9 Ų | 29.9 | 61% | 0.612 | 15% | 0.153 | S | C | * | . | S | Bend | trans | 50.3 | 35.9 | -179.3 | -54.1 | -177.2 | -62.4 | 0 | 0 | 113.1 | S175 D177 D178 | S175-Q363 PolarHBondContact O-N 2.82Å; D177-Q363 PolarHBondContact O-N 2.71Å; D178-Q363 HydrophobicContact CB-CG 3.99Å |
| 364 | T | 93.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | trans | -132.2 | 128.8 | -175.3 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | S175 I361 V362 | S175-T364 CarbonylContact C-O 3.55Å; S175-T364 PolarHBondContact O-N 3.5Å; S175-T364 VanDerWaalsContact O-O 3.05Å; I361-T364 VanDerWaalsContact CG2-CB 3.44Å; I361-T364 HydrophobicContact CG2-CG2 3.92Å; I361-T364 WeakPolarHBondContact CG2-OG1 3.5Å; V362-T364 PolarHBondContact O-N 2.88Å; V362-T364 VanDerWaalsContact O-N 3.11Å; V362-T364 PolarHBondContact O-OG1 2.82Å | ||
| 365 | P | 93.9 | Very high | 91.6 | Very high | 41 Ų | 41 | 30 Ų | 30 | 27% | 0.266 | 15% | 0.15 | S | C | . | . | trans | -60.6 | 144.8 | 175.4 | 26.8 | -34.6 | 0 | 0 | 0 | 110.7 | Q106 L367 Y374 | Q106-P365 PolarHBondContact NE2-O 3.49Å; Q106-P365 PolarHBondContact OE1-O 3.1Å; Q106-P365 VanDerWaalsContact OE1-O 3.12Å; P365-L367 HydrophobicContact CB-CD1 4.47Å; P365-L367 HydrophobicContact CB-CG 4.19Å; P365-L367 HydrophobicContact CG-CD1 3.89Å; P365-L367 HydrophobicContact CG-CG 4.13Å; P365-L367 PolarHBondContact O-N 3.38Å; P365-L367 VanDerWaalsContact O-N 3.15Å; P365-Y374 WeakPolarHBondContact CD-OH 3.46Å; P365-Y374 HydrophobicContact CG-CE1 4.04Å; P365-Y374 VanDerWaalsContact CG-OH 3.24Å; P365-Y374 WeakPolarHBondContact CG-OH 3.35Å | ||
| 366 | I | 90.7 | Very high | 91.9 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 35% | 0.354 | 16% | 0.16 | S | C | . | . | trans | -77.2 | 101.6 | 178.8 | -52.8 | 179.8 | 0 | 0 | 0 | 108.4 | A174 E176 L368 | A174-I366 HydrophobicContact CB-CG1 4.35Å; E176-I366 HydrophobicContact CG-CG1 4.2Å; I366-L368 HydrophobicContact CG2-CD2 3.44Å; I366-L368 VanDerWaalsContact CG2-CD2 3.44Å; I366-L368 HydrophobicContact CG2-CG 4.36Å | ||
| 367 | L | 92.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | trans | -121.3 | 10.3 | -176 | -61.3 | 175 | 0 | 0 | 0 | 113 | P365 H369 D370 E373 Y374 | P365-L367 HydrophobicContact CB-CD1 4.47Å; P365-L367 HydrophobicContact CB-CG 4.19Å; P365-L367 HydrophobicContact CG-CD1 3.89Å; P365-L367 HydrophobicContact CG-CG 4.13Å; P365-L367 PolarHBondContact O-N 3.38Å; P365-L367 VanDerWaalsContact O-N 3.15Å; L367-H369 PolarHBondContact O-N 3.31Å; L367-D370 HydrophobicContact CB-CB 4.47Å; L367-D370 WeakPolarHBondContact O-CB 3.36Å; L367-D370 PolarHBondContact O-N 3.09Å; L367-E373 HydrophobicContact CB-CG 4.46Å; L367-E373 WeakPolarHBondContact O-CG 3.45Å; L367-Y374 HydrophobicContact CD1-CD1 3.53Å; L367-Y374 HydrophobicContact CD1-CE1 3.41Å; L367-Y374 VanDerWaalsContact CD1-CE1 3.41Å | ||
| 368 | L | 89 | Confident | 92.4 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.225 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 136.8 | 173.7 | 65.6 | 121.5 | 0 | 0 | 0 | 110.5 | Q106 D107 L173 I366 D370 | Q106-L368 HydrophobicContact CB-CB 4.12Å; D107-L368 HydrophobicContact CB-CB 3.83Å; L173-L368 HydrophobicContact CD2-CD2 3.67Å; I366-L368 HydrophobicContact CG2-CD2 3.44Å; I366-L368 VanDerWaalsContact CG2-CD2 3.44Å; I366-L368 HydrophobicContact CG2-CG 4.36Å; L368-D370 PolarHBondContact O-N 3.39Å |
| 369 | H | 89.2 | Confident | 92.6 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | -11.4 | -174.8 | -52.4 | 171.6 | 0 | 0 | 0 | 115.6 | V78 R103 D107 E144 L367 | V78-H369 HydrophobicContact CG2-CB 3.92Å; R103-H369 VanDerWaalsContact NH1-C 3.3Å; R103-H369 PolarHBondContact NH2-O 3.18Å; D107-H369 IonicContact OD2-CD2 2.84Å; D107-H369 IonicContact OD2-CE1 3.93Å; D107-H369 IonicContact OD2-NE2 3.65Å; D107-H369 PolarHBondContact OD2-NE2 3.07Å; E144-H369 IonicContact OE1-CD2 3.48Å; E144-H369 IonicContact OE1-NE2 2.8Å; E144-H369 PolarHBondContact OE1-NE2 3.39Å; E144-H369 IonicContact OE2-CE1 3.4Å; E144-H369 PolarHBondContact OE2-CE1 3.18Å; E144-H369 IonicContact OE2-NE2 3.6Å; E144-H369 PolarHBondContact OE2-NE2 2.99Å; E144-H369 VanDerWaalsContact OE2-NE2 3.1Å; L367-H369 PolarHBondContact O-N 3.31Å |
| 370 | D | 91.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -80.8 | 169.3 | 177.9 | -151.2 | -14.8 | 0 | 0 | 0 | 111.7 | R103 L367 L368 | R103-D370 PolarHBondContact NH1-O 3.49Å; R103-D370 PolarHBondContact NH2-O 3.21Å; L367-D370 HydrophobicContact CB-CB 4.47Å; L367-D370 WeakPolarHBondContact O-CB 3.36Å; L367-D370 PolarHBondContact O-N 3.09Å; L368-D370 PolarHBondContact O-N 3.39Å |
| 371 | H | 92.9 | Very high | 93 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 152.5 | 172.6 | -53.8 | -51.7 | 0 | 0 | 0 | 111.1 | F84 W85 E373 | F84-H371 HydrophobicContact CB-CB 4.24Å; F84-H371 AromaticContact CD2-CE1 3.65Å; F84-H371 AromaticContact CD2-NE2 3.63Å; F84-H371 AromaticContact CG-CE1 3.99Å; F84-H371 AromaticContact CG-NE2 3.73Å; W85-H371 AromaticContact CD1-ND1 3.99Å; W85-H371 AromaticContact NE1-ND1 3.61Å; H371-E373 PolarHBondContact O-N 3.4Å |
| 372 | N | 95.2 | Very high | 93.1 | Very high | 33 Ų | 33 | 48 Ų | 48 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 31.4 | 179.1 | -50.6 | -71.6 | 0 | 0 | 0 | 112.8 | F84 W85 K86 Y374 | F84-N372 PolarHBondContact O-ND2 3.47Å; W85-N372 WeakPolarHBondContact CA-OD1 3.36Å; K86-N372 WeakPolarHBondContact CB-OD1 3.48Å; K86-N372 VanDerWaalsContact CG-OD1 3.29Å; K86-N372 WeakPolarHBondContact CG-OD1 3.18Å; K86-N372 PolarHBondContact N-OD1 3.26Å; N372-Y374 WeakPolarHBondContact O-CD1 3.28Å; N372-Y374 PolarHBondContact O-N 2.98Å |
| 373 | E | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -51.6 | 129.2 | 170.1 | -161.3 | -171 | 154.4 | 0 | 0 | 109.1 | W85 Y101 G102 R103 G104 T105 Q106 D107 L367 H371 | W85-E373 HydrophobicContact CH2-CB 3.63Å; W85-E373 HydrophobicContact CZ3-CB 4.2Å; Y101-E373 WeakPolarHBondContact CA-O 3.41Å; G102-E373 PolarHBondContact N-O 3.45Å; R103-E373 WeakPolarHBondContact CA-OE2 3.33Å; R103-E373 WeakPolarHBondContact CD-OE2 3.32Å; R103-E373 IonicContact CZ-OE2 3.38Å; R103-E373 IonicContact NE-OE2 3.65Å; R103-E373 IonicContact NH1-OE2 3.87Å; R103-E373 PolarHBondContact NH1-OE2 3.3Å; G104-E373 WeakPolarHBondContact CA-OE1 3.13Å; G104-E373 PolarHBondContact N-OE1 2.84Å; G104-E373 VanDerWaalsContact N-OE1 3.13Å; G104-E373 PolarHBondContact N-OE2 3.18Å; G104-E373 VanDerWaalsContact N-OE2 3.12Å; T105-E373 PolarHBondContact N-OE1 3.39Å; T105-E373 VanDerWaalsContact OG1-CG 3.22Å; T105-E373 WeakPolarHBondContact OG1-CG 3.35Å; T105-E373 PolarHBondContact OG1-O 3.32Å; Q106-E373 VanDerWaalsContact CA-OE1 3.29Å; Q106-E373 WeakPolarHBondContact CA-OE1 3.23Å; Q106-E373 HydrophobicContact CB-CG 3.79Å; Q106-E373 HydrophobicContact CG-CG 3.94Å; Q106-E373 PolarHBondContact N-OE1 3.27Å; D107-E373 PolarHBondContact N-OE1 2.93Å; L367-E373 HydrophobicContact CB-CG 4.46Å; L367-E373 WeakPolarHBondContact O-CG 3.45Å; H371-E373 PolarHBondContact O-N 3.4Å | ||
| 374 | Y | 95.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 18% | 0.18 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.1 | 178.3 | 73.8 | -92.6 | 0 | 0 | 0 | 112.5 | K99 I100 Y101 T105 Q106 P365 L367 N372 | K99-Y374 HydrophobicContact CB-CD2 3.97Å; K99-Y374 HydrophobicContact CB-CG 4.4Å; K99-Y374 HydrophobicContact CD-CD2 4.01Å; K99-Y374 HydrophobicContact CD-CE2 3.92Å; K99-Y374 HydrophobicContact CD-CG 4.49Å; K99-Y374 HydrophobicContact CG-CD2 3.83Å; K99-Y374 HydrophobicContact CG-CE2 4Å; I100-Y374 CarbonylContact O-C 3.58Å; I100-Y374 WeakPolarHBondContact O-CA 3.49Å; I100-Y374 WeakPolarHBondContact O-CB 3.17Å; Y101-Y374 HydrophobicContact CD1-CD1 4.48Å; Y101-Y374 HydrophobicContact CD1-CG 4.45Å; Y101-Y374 HydrophobicContact CE1-CD1 4.01Å; Y101-Y374 HydrophobicContact CE1-CG 4.18Å; T105-Y374 VanDerWaalsContact OG1-CA 3.32Å; T105-Y374 WeakPolarHBondContact OG1-CA 3.19Å; T105-Y374 PolarHBondContact OG1-N 3.17Å; Q106-Y374 PolarHBondContact NE2-O 3.37Å; P365-Y374 WeakPolarHBondContact CD-OH 3.46Å; P365-Y374 HydrophobicContact CG-CE1 4.04Å; P365-Y374 VanDerWaalsContact CG-OH 3.24Å; P365-Y374 WeakPolarHBondContact CG-OH 3.35Å; L367-Y374 HydrophobicContact CD1-CD1 3.53Å; L367-Y374 HydrophobicContact CD1-CE1 3.41Å; L367-Y374 VanDerWaalsContact CD1-CE1 3.41Å; N372-Y374 WeakPolarHBondContact O-CD1 3.28Å; N372-Y374 PolarHBondContact O-N 2.98Å |
| 375 | L | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.4 | 166.4 | -176.6 | 62.6 | 0 | 0 | 0 | 109.7 | I100 S110 I361 T379 Y380 | I100-L375 WeakPolarHBondContact CB-O 3.4Å; I100-L375 PolarHBondContact N-O 3.39Å; I100-L375 PolarHBondContact O-N 2.86Å; S110-L375 WeakPolarHBondContact OG-CD2 3.34Å; I361-L375 HydrophobicContact CD1-CD1 3.83Å; I361-L375 HydrophobicContact CD1-CD2 4.39Å; I361-L375 HydrophobicContact CG1-CD1 3.95Å; I361-L375 HydrophobicContact CG2-CD1 4.03Å; L375-T379 HydrophobicContact CD1-CG2 3.83Å; L375-Y380 HydrophobicContact CD2-CD2 4Å; L375-Y380 HydrophobicContact CD2-CG 4.42Å |
| 376 | H | 95.2 | Very high | 93 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 135 | 174.7 | -165.8 | -92.1 | 0 | 0 | 0 | 110.6 | D97 D378 T379 Y380 | D97-H376 PolarHBondContact O-NE2 3.3Å; H376-D378 IonicContact CE1-OD2 3.65Å; H376-D378 PolarHBondContact CE1-OD2 3.24Å; H376-D378 VanDerWaalsContact CE1-OD2 3.26Å; H376-D378 WeakPolarHBondContact ND1-CB 3.19Å; H376-D378 PolarHBondContact ND1-N 3.12Å; H376-D378 IonicContact ND1-OD2 2.97Å; H376-D378 PolarHBondContact O-N 3.39Å; H376-T379 WeakPolarHBondContact O-CB 3.31Å; H376-T379 PolarHBondContact O-N 2.9Å; H376-Y380 PolarHBondContact O-N 2.65Å |
| 377 | R | 94 | Very high | 93.2 | Very high | 114 Ų | 114 | 41.9 Ų | 41.9 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.3 | -36.4 | -177.1 | 74.2 | -177.6 | -171.4 | -173.1 | -6 | 112.7 | I7 G98 I100 Y380 L381 | I7-R377 HydrophobicContact CD1-CB 3.96Å; G98-R377 WeakPolarHBondContact O-CB 3.16Å; G98-R377 PolarHBondContact O-N 2.83Å; I100-R377 HydrophobicContact CD1-CB 4.01Å; R377-Y380 WeakPolarHBondContact O-CB 3.18Å; R377-Y380 PolarHBondContact O-N 2.79Å; R377-L381 WeakPolarHBondContact O-CG 3.34Å; R377-L381 PolarHBondContact O-N 3.43Å |
| 378 | D | 94.2 | Very high | 93.3 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 45% | 0.449 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.6 | -37.1 | -179.9 | -60 | -14.6 | 0 | 0 | 0 | 110.8 | H376 Y380 L381 K382 | H376-D378 IonicContact CE1-OD2 3.65Å; H376-D378 PolarHBondContact CE1-OD2 3.24Å; H376-D378 VanDerWaalsContact CE1-OD2 3.26Å; H376-D378 WeakPolarHBondContact ND1-CB 3.19Å; H376-D378 PolarHBondContact ND1-N 3.12Å; H376-D378 IonicContact ND1-OD2 2.97Å; H376-D378 PolarHBondContact O-N 3.39Å; D378-Y380 VanDerWaalsContact C-N 3.32Å; D378-L381 PolarHBondContact O-N 2.88Å; D378-K382 VanDerWaalsContact O-CB 3.3Å; D378-K382 WeakPolarHBondContact O-CB 3.22Å; D378-K382 PolarHBondContact O-N 2.78Å |
| 379 | T | 93.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 13% | 0.129 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 172.2 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | I361 L375 H376 G383 | I361-T379 HydrophobicContact CG2-CG2 4.28Å; L375-T379 HydrophobicContact CD1-CG2 3.83Å; H376-T379 WeakPolarHBondContact O-CB 3.31Å; H376-T379 PolarHBondContact O-N 2.9Å; T379-G383 PolarHBondContact O-N 3.29Å |
| 380 | Y | 93.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.3 | -50.5 | 173.6 | 175 | -94.6 | 0 | 0 | 0 | 111.7 | S6 I7 F10 R116 L375 H376 R377 D378 G383 I384 | S6-Y380 WeakPolarHBondContact OG-CE1 3.36Å; I7-Y380 HydrophobicContact CD1-CD1 3.51Å; I7-Y380 HydrophobicContact CD1-CE1 3.96Å; I7-Y380 HydrophobicContact CD1-CG 4.36Å; F10-Y380 HydrophobicContact CB-CE1 4.37Å; F10-Y380 HydrophobicContact CB-CE2 4.19Å; F10-Y380 HydrophobicContact CD1-CD1 4.5Å; F10-Y380 AromaticContact CD1-CD2 3.92Å; F10-Y380 HydrophobicContact CD1-CD2 3.92Å; F10-Y380 HydrophobicContact CD1-CE1 4.43Å; F10-Y380 AromaticContact CD1-CE2 3.85Å; F10-Y380 HydrophobicContact CD1-CE2 3.85Å; F10-Y380 HydrophobicContact CD1-CG 4.26Å; F10-Y380 HydrophobicContact CD2-CE2 4.45Å; F10-Y380 HydrophobicContact CE1-CD2 4.26Å; F10-Y380 HydrophobicContact CG-CD2 4.39Å; F10-Y380 AromaticContact CG-CE2 3.87Å; F10-Y380 HydrophobicContact CG-CE2 3.87Å; R116-Y380 WeakPolarHBondContact CD-O 3.27Å; R116-Y380 HydrophobicContact CG-CD2 3.93Å; R116-Y380 HydrophobicContact CG-CE2 3.5Å; L375-Y380 HydrophobicContact CD2-CD2 4Å; L375-Y380 HydrophobicContact CD2-CG 4.42Å; H376-Y380 PolarHBondContact O-N 2.65Å; R377-Y380 WeakPolarHBondContact O-CB 3.18Å; R377-Y380 PolarHBondContact O-N 2.79Å; D378-Y380 VanDerWaalsContact C-N 3.32Å; Y380-G383 PolarHBondContact O-N 2.94Å; Y380-I384 HydrophobicContact CD1-CD1 4.19Å; Y380-I384 HydrophobicContact CE1-CD1 3.65Å; Y380-I384 PolarHBondContact O-N 3.36Å |
| 381 | L | 93.7 | Very high | 94 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -44.9 | -179.2 | -68.2 | 170.4 | 0 | 0 | 0 | 112.8 | P3 I7 R377 D378 G383 I384 E385 | P3-L381 HydrophobicContact CB-CD1 3.94Å; P3-L381 HydrophobicContact CB-CD2 4.1Å; I7-L381 HydrophobicContact CD1-CD2 4.42Å; I7-L381 HydrophobicContact CD1-CG 4.36Å; R377-L381 WeakPolarHBondContact O-CG 3.34Å; R377-L381 PolarHBondContact O-N 3.43Å; D378-L381 PolarHBondContact O-N 2.88Å; L381-G383 PolarHBondContact O-N 3.12Å; L381-I384 HydrophobicContact CD2-CD1 4.33Å; L381-I384 WeakPolarHBondContact O-CB 3.37Å; L381-I384 PolarHBondContact O-N 3.3Å; L381-I384 VanDerWaalsContact O-N 3.1Å; L381-E385 PolarHBondContact O-N 2.93Å |
| 382 | K | 92.7 | Very high | 94.1 | Very high | 90 Ų | 90 | 39.9 Ų | 39.9 | 39% | 0.391 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.5 | -33.7 | 173.7 | -175.7 | 179.9 | 176.8 | -172.9 | 0 | 111.5 | D178 D378 E385 T386 | D178-K382 IonicContact OD1-NZ 3.1Å; D378-K382 VanDerWaalsContact O-CB 3.3Å; D378-K382 WeakPolarHBondContact O-CB 3.22Å; D378-K382 PolarHBondContact O-N 2.78Å; K382-E385 PolarHBondContact O-N 3.41Å; K382-T386 PolarHBondContact O-N 3.25Å; K382-T386 PolarHBondContact O-OG1 2.86Å |
| 383 | G | 92.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -38.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T379 Y380 L381 E385 T386 Y387 | T379-G383 PolarHBondContact O-N 3.29Å; Y380-G383 PolarHBondContact O-N 2.94Å; L381-G383 PolarHBondContact O-N 3.12Å; G383-E385 VanDerWaalsContact C-N 3.34Å; G383-T386 PolarHBondContact O-N 3.14Å; G383-Y387 VanDerWaalsContact O-CD2 3.24Å; G383-Y387 WeakPolarHBondContact O-CD2 3.31Å; G383-Y387 PolarHBondContact O-N 2.83Å |
| 384 | I | 93.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 173.8 | -62.5 | 168.9 | 0 | 0 | 0 | 110.2 | S6 R116 E119 A120 Y380 L381 T386 Y387 V388 | S6-I384 WeakPolarHBondContact OG-CD1 3.39Å; R116-I384 HydrophobicContact CB-CG1 3.9Å; R116-I384 HydrophobicContact CG-CG1 3.69Å; E119-I384 HydrophobicContact CB-CD1 3.85Å; E119-I384 HydrophobicContact CB-CG1 4.14Å; E119-I384 HydrophobicContact CB-CG2 3.78Å; E119-I384 HydrophobicContact CG-CD1 3.97Å; A120-I384 HydrophobicContact CB-CG2 4.42Å; Y380-I384 HydrophobicContact CD1-CD1 4.19Å; Y380-I384 HydrophobicContact CE1-CD1 3.65Å; Y380-I384 PolarHBondContact O-N 3.36Å; L381-I384 HydrophobicContact CD2-CD1 4.33Å; L381-I384 WeakPolarHBondContact O-CB 3.37Å; L381-I384 PolarHBondContact O-N 3.3Å; L381-I384 VanDerWaalsContact O-N 3.1Å; I384-T386 VanDerWaalsContact C-N 3.33Å; I384-T386 PolarHBondContact O-N 3.39Å; I384-Y387 PolarHBondContact O-N 2.97Å; I384-V388 WeakPolarHBondContact O-CG2 3.28Å; I384-V388 PolarHBondContact O-N 3.46Å |
| 385 | E | 92.9 | Very high | 94.3 | Very high | 103 Ų | 103 | 37.2 Ų | 37.2 | 48% | 0.481 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 178 | -65.8 | 177 | 178 | 0 | 0 | 111.7 | R123 L381 K382 G383 Y387 V388 H389 | R123-E385 IonicContact NH1-OE1 2.73Å; L381-E385 PolarHBondContact O-N 2.93Å; K382-E385 PolarHBondContact O-N 3.41Å; G383-E385 VanDerWaalsContact C-N 3.34Å; E385-Y387 VanDerWaalsContact C-N 3.29Å; E385-Y387 PolarHBondContact O-N 3.32Å; E385-V388 WeakPolarHBondContact O-CB 3.29Å; E385-V388 PolarHBondContact O-N 3.03Å; E385-V388 VanDerWaalsContact O-N 3.16Å; E385-H389 PolarHBondContact O-CD2 3.32Å; E385-H389 PolarHBondContact O-N 3.13Å; E385-H389 VanDerWaalsContact O-N 3.17Å |
| 386 | T | 92.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 10% | 0.104 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -43.1 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | Y180 F334 F358 P360 K382 G383 I384 H389 L390 | Y180-T386 HydrophobicContact CE2-CG2 4.21Å; Y180-T386 PolarHBondContact OH-OG1 3.29Å; Y180-T386 VanDerWaalsContact OH-OG1 3.07Å; F334-T386 HydrophobicContact CD1-CG2 4.38Å; F358-T386 HydrophobicContact CE1-CG2 4.25Å; F358-T386 HydrophobicContact CZ-CG2 4Å; P360-T386 HydrophobicContact CB-CG2 3.76Å; P360-T386 HydrophobicContact CG-CG2 4.49Å; K382-T386 PolarHBondContact O-N 3.25Å; K382-T386 PolarHBondContact O-OG1 2.86Å; G383-T386 PolarHBondContact O-N 3.14Å; I384-T386 VanDerWaalsContact C-N 3.33Å; I384-T386 PolarHBondContact O-N 3.39Å; T386-H389 PolarHBondContact O-N 3.29Å; T386-L390 WeakPolarHBondContact O-CB 3.28Å; T386-L390 PolarHBondContact O-N 3.36Å |
| 387 | Y | 93.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.2 | -34.4 | 175.8 | -77.9 | -53.2 | 0 | 0 | 0 | 114.3 | V112 R116 Y117 F358 P360 G383 I384 E385 H389 L390 I391 | V112-Y387 WeakPolarHBondContact O-CE2 3.43Å; V112-Y387 VanDerWaalsContact O-CZ 3.23Å; V112-Y387 PolarHBondContact O-OH 3.03Å; R116-Y387 HydrophobicContact CB-CD2 3.79Å; R116-Y387 HydrophobicContact CB-CE2 4.09Å; Y117-Y387 AromaticContact CD1-CD1 3.99Å; Y117-Y387 HydrophobicContact CD1-CD1 3.99Å; Y117-Y387 HydrophobicContact CD1-CD2 4.21Å; Y117-Y387 HydrophobicContact CD1-CE1 4.17Å; Y117-Y387 HydrophobicContact CD1-CE2 4.38Å; Y117-Y387 AromaticContact CD1-CG 4Å; Y117-Y387 HydrophobicContact CD1-CG 4Å; Y117-Y387 AromaticContact CE1-CD1 3.4Å; Y117-Y387 HydrophobicContact CE1-CD1 3.4Å; Y117-Y387 HydrophobicContact CE1-CD2 4.25Å; Y117-Y387 AromaticContact CE1-CE1 3.28Å; Y117-Y387 HydrophobicContact CE1-CE1 3.28Å; Y117-Y387 HydrophobicContact CE1-CE2 4.16Å; Y117-Y387 AromaticContact CE1-CG 3.88Å; Y117-Y387 HydrophobicContact CE1-CG 3.88Å; Y117-Y387 AromaticContact CE1-CZ 3.68Å; Y117-Y387 AromaticContact CZ-CE1 3.97Å; F358-Y387 AromaticContact CD1-CE1 3.66Å; F358-Y387 HydrophobicContact CD1-CE1 3.66Å; F358-Y387 HydrophobicContact CE1-CD1 4.37Å; F358-Y387 AromaticContact CE1-CE1 3.85Å; F358-Y387 HydrophobicContact CE1-CE1 3.85Å; F358-Y387 PolarHBondContact O-OH 2.85Å; P360-Y387 WeakPolarHBondContact CD-OH 3.29Å; P360-Y387 HydrophobicContact CG-CD2 3.72Å; P360-Y387 HydrophobicContact CG-CE1 4.26Å; P360-Y387 HydrophobicContact CG-CE2 3.27Å; P360-Y387 HydrophobicContact CG-CG 4.37Å; G383-Y387 VanDerWaalsContact O-CD2 3.24Å; G383-Y387 WeakPolarHBondContact O-CD2 3.31Å; G383-Y387 PolarHBondContact O-N 2.83Å; I384-Y387 PolarHBondContact O-N 2.97Å; E385-Y387 VanDerWaalsContact C-N 3.29Å; E385-Y387 PolarHBondContact O-N 3.32Å; Y387-H389 VanDerWaalsContact C-N 3.27Å; Y387-H389 PolarHBondContact O-N 2.87Å; Y387-L390 HydrophobicContact CD1-CD2 4.15Å; Y387-L390 HydrophobicContact CE1-CD2 4.27Å; Y387-L390 PolarHBondContact O-N 3.36Å; Y387-I391 VanDerWaalsContact O-CB 3.22Å; Y387-I391 WeakPolarHBondContact O-CB 3.35Å; Y387-I391 VanDerWaalsContact O-CG1 3.23Å; Y387-I391 WeakPolarHBondContact O-CG1 3.46Å; Y387-I391 PolarHBondContact O-N 2.98Å |
| 388 | V | 94.8 | Very high | 94 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 16% | 0.158 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.6 | -47.2 | 172.5 | 168.3 | 0 | 0 | 0 | 0 | 110 | A120 R123 L124 I384 E385 K392 | A120-V388 HydrophobicContact CB-CG2 3.76Å; R123-V388 HydrophobicContact CB-CG2 3.94Å; L124-V388 HydrophobicContact CD2-CG1 3.89Å; L124-V388 HydrophobicContact CG-CG1 4.16Å; I384-V388 WeakPolarHBondContact O-CG2 3.28Å; I384-V388 PolarHBondContact O-N 3.46Å; E385-V388 WeakPolarHBondContact O-CB 3.29Å; E385-V388 PolarHBondContact O-N 3.03Å; E385-V388 VanDerWaalsContact O-N 3.16Å; V388-K392 WeakPolarHBondContact O-CB 3.23Å; V388-K392 PolarHBondContact O-N 3.5Å; V388-K392 VanDerWaalsContact O-N 3.17Å |
| 389 | H | 94.6 | Very high | 93.2 | Very high | 119 Ų | 119 | 34.5 Ų | 34.5 | 55% | 0.551 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -66.9 | -46.9 | 178.1 | -66.9 | -63.2 | 0 | 0 | 0 | 112.3 | E385 T386 Y387 A393 | E385-H389 PolarHBondContact O-CD2 3.32Å; E385-H389 PolarHBondContact O-N 3.13Å; E385-H389 VanDerWaalsContact O-N 3.17Å; T386-H389 PolarHBondContact O-N 3.29Å; Y387-H389 VanDerWaalsContact C-N 3.27Å; Y387-H389 PolarHBondContact O-N 2.87Å; H389-A393 WeakPolarHBondContact O-CB 3.14Å; H389-A393 PolarHBondContact O-N 3.15Å |
| 390 | L | 94.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -52.7 | -178.8 | 179.5 | 58.6 | 0 | 0 | 0 | 112.6 | L169 I330 L333 F334 F358 T386 Y387 K392 A393 L394 | L169-L390 HydrophobicContact CD1-CD2 3.67Å; L169-L390 HydrophobicContact CD1-CG 4.08Å; I330-L390 HydrophobicContact CG1-CD1 4.06Å; I330-L390 HydrophobicContact CG2-CD1 4.49Å; L333-L390 HydrophobicContact CD1-CB 4.23Å; L333-L390 HydrophobicContact CD1-CD1 3.71Å; F334-L390 HydrophobicContact CE1-CD1 4.38Å; F358-L390 HydrophobicContact CD1-CD2 3.5Å; F358-L390 VanDerWaalsContact CD1-CD2 3.5Å; F358-L390 HydrophobicContact CE1-CD2 3.54Å; F358-L390 HydrophobicContact CG-CD2 4.33Å; F358-L390 HydrophobicContact CZ-CD2 4.39Å; T386-L390 WeakPolarHBondContact O-CB 3.28Å; T386-L390 PolarHBondContact O-N 3.36Å; Y387-L390 HydrophobicContact CD1-CD2 4.15Å; Y387-L390 HydrophobicContact CE1-CD2 4.27Å; Y387-L390 PolarHBondContact O-N 3.36Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-K392 PolarHBondContact O-N 2.95Å; L390-A393 PolarHBondContact O-N 3.46Å; L390-L394 HydrophobicContact CD1-CD1 3.98Å; L390-L394 HydrophobicContact CD1-CG 4.05Å; L390-L394 HydrophobicContact CG-CD1 4.11Å; L390-L394 WeakPolarHBondContact O-CG 3.26Å; L390-L394 PolarHBondContact O-N 3.15Å |
| 391 | I | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | -178.9 | -66.6 | 168.4 | 0 | 0 | 0 | 110.4 | L71 Y117 A120 L124 I135 Y387 A393 L394 A395 | L71-I391 HydrophobicContact CD1-CD1 3.65Å; L71-I391 HydrophobicContact CD1-CG1 3.97Å; L71-I391 HydrophobicContact CD2-CG1 4.41Å; Y117-I391 HydrophobicContact CD1-CD1 3.8Å; Y117-I391 HydrophobicContact CE1-CD1 4.16Å; A120-I391 HydrophobicContact CB-CD1 3.93Å; L124-I391 HydrophobicContact CD1-CB 4.22Å; L124-I391 HydrophobicContact CD1-CG2 3.91Å; I135-I391 HydrophobicContact CD1-CG2 3.34Å; I135-I391 HydrophobicContact CG1-CG2 4.28Å; Y387-I391 VanDerWaalsContact O-CB 3.22Å; Y387-I391 WeakPolarHBondContact O-CB 3.35Å; Y387-I391 VanDerWaalsContact O-CG1 3.23Å; Y387-I391 WeakPolarHBondContact O-CG1 3.46Å; Y387-I391 PolarHBondContact O-N 2.98Å; I391-A393 VanDerWaalsContact C-N 3.31Å; I391-A393 PolarHBondContact O-N 3.4Å; I391-L394 PolarHBondContact O-N 3.37Å; I391-A395 VanDerWaalsContact O-CB 3.27Å; I391-A395 WeakPolarHBondContact O-CB 3.36Å; I391-A395 PolarHBondContact O-N 3.4Å |
| 392 | K | 96.4 | Very high | 91.5 | Very high | 104 Ų | 104 | 45.9 Ų | 45.9 | 45% | 0.452 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 176.8 | -173.5 | 177.5 | 179.9 | 177.5 | 0 | 112 | L124 L131 V388 L390 N396 | L124-K392 HydrophobicContact CD1-CB 4.4Å; L124-K392 HydrophobicContact CD2-CB 3.74Å; L124-K392 HydrophobicContact CD2-CD 3.88Å; L124-K392 HydrophobicContact CD2-CG 4.01Å; L131-K392 HydrophobicContact CD2-CG 4.26Å; V388-K392 WeakPolarHBondContact O-CB 3.23Å; V388-K392 PolarHBondContact O-N 3.5Å; V388-K392 VanDerWaalsContact O-N 3.17Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-K392 PolarHBondContact O-N 2.95Å; K392-N396 WeakPolarHBondContact O-CB 3.09Å; K392-N396 PolarHBondContact O-N 2.89Å; K392-N396 PolarHBondContact O-ND2 2.8Å |
| 393 | A | 96 | Very high | 91.5 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.9 | -47.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | T329 L333 H389 L390 I391 A395 N396 V397 | T329-A393 HydrophobicContact CG2-CB 3.5Å; L333-A393 HydrophobicContact CD1-CB 3.79Å; L333-A393 HydrophobicContact CD2-CB 4.05Å; L333-A393 HydrophobicContact CG-CB 4.35Å; H389-A393 WeakPolarHBondContact O-CB 3.14Å; H389-A393 PolarHBondContact O-N 3.15Å; L390-A393 PolarHBondContact O-N 3.46Å; I391-A393 VanDerWaalsContact C-N 3.31Å; I391-A393 PolarHBondContact O-N 3.4Å; A393-A395 PolarHBondContact O-N 3.26Å; A393-N396 CarbonylContact O-C 3.55Å; A393-N396 PolarHBondContact O-N 3.34Å; A393-N396 VanDerWaalsContact O-N 3.11Å; A393-V397 WeakPolarHBondContact O-CG2 3.29Å; A393-V397 PolarHBondContact O-N 2.82Å; A393-V397 VanDerWaalsContact O-N 3.14Å |
| 394 | L | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 176.7 | -67.6 | 179.4 | 0 | 0 | 0 | 111.6 | V69 I167 L169 W326 T329 I330 L390 I391 N396 V397 | V69-L394 HydrophobicContact CG1-CB 4.36Å; V69-L394 HydrophobicContact CG1-CD1 4.37Å; V69-L394 HydrophobicContact CG2-CB 4.02Å; I167-L394 HydrophobicContact CD1-CD2 4.07Å; L169-L394 HydrophobicContact CD1-CD1 3.67Å; L169-L394 HydrophobicContact CD2-CD1 4.11Å; L169-L394 HydrophobicContact CG-CD1 3.95Å; W326-L394 HydrophobicContact CE3-CD2 3.79Å; W326-L394 HydrophobicContact CZ3-CB 4.23Å; W326-L394 HydrophobicContact CZ3-CD2 4.26Å; W326-L394 WeakPolarHBondContact CZ3-O 3.44Å; T329-L394 HydrophobicContact CG2-CD2 4.4Å; I330-L394 HydrophobicContact CD1-CD2 4.36Å; I330-L394 HydrophobicContact CG1-CD2 3.89Å; L390-L394 HydrophobicContact CD1-CD1 3.98Å; L390-L394 HydrophobicContact CD1-CG 4.05Å; L390-L394 HydrophobicContact CG-CD1 4.11Å; L390-L394 WeakPolarHBondContact O-CG 3.26Å; L390-L394 PolarHBondContact O-N 3.15Å; I391-L394 PolarHBondContact O-N 3.37Å; L394-N396 PolarHBondContact O-N 3.27Å; L394-V397 WeakPolarHBondContact O-CG2 3.25Å; L394-V397 PolarHBondContact O-N 3.41Å |
| 395 | A | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L131 K132 R133 I135 I391 A393 | L131-A395 HydrophobicContact CB-CB 4.05Å; L131-A395 HydrophobicContact CD1-CB 4.21Å; L131-A395 HydrophobicContact CD2-CB 4.24Å; L131-A395 HydrophobicContact CG-CB 4.4Å; K132-A395 PolarHBondContact N-O 3.29Å; R133-A395 PolarHBondContact N-O 2.8Å; I135-A395 HydrophobicContact CD1-CB 4.03Å; I135-A395 HydrophobicContact CG1-CB 4.16Å; I391-A395 VanDerWaalsContact O-CB 3.27Å; I391-A395 WeakPolarHBondContact O-CB 3.36Å; I391-A395 PolarHBondContact O-N 3.4Å; A393-A395 PolarHBondContact O-N 3.26Å |
| 396 | N | 96.5 | Very high | 91.2 | Very high | 43 Ų | 43 | 45.3 Ų | 45.3 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 9.6 | -179.9 | -71.3 | -58.4 | 0 | 0 | 0 | 114.3 | K132 K392 A393 L394 | K132-N396 WeakPolarHBondContact CG-OD1 3.15Å; K132-N396 PolarHBondContact N-OD1 3.37Å; K392-N396 WeakPolarHBondContact O-CB 3.09Å; K392-N396 PolarHBondContact O-N 2.89Å; K392-N396 PolarHBondContact O-ND2 2.8Å; A393-N396 CarbonylContact O-C 3.55Å; A393-N396 PolarHBondContact O-N 3.34Å; A393-N396 VanDerWaalsContact O-N 3.11Å; L394-N396 PolarHBondContact O-N 3.27Å |
| 397 | V | 94.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 127 | 172.6 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | R133 P325 W326 T329 A393 L394 A399 | R133-V397 PolarHBondContact NE-O 2.99Å; R133-V397 PolarHBondContact NH2-O 3.02Å; P325-V397 HydrophobicContact CB-CG1 3.67Å; P325-V397 HydrophobicContact CG-CG1 4.26Å; W326-V397 HydrophobicContact CD2-CG1 4.43Å; W326-V397 HydrophobicContact CE3-CB 4.01Å; W326-V397 HydrophobicContact CE3-CG1 4.23Å; W326-V397 HydrophobicContact CE3-CG2 3.61Å; W326-V397 HydrophobicContact CH2-CB 4.25Å; W326-V397 HydrophobicContact CZ3-CB 3.8Å; W326-V397 HydrophobicContact CZ3-CG1 4.38Å; W326-V397 HydrophobicContact CZ3-CG2 3.67Å; T329-V397 HydrophobicContact CG2-CG2 3.91Å; T329-V397 WeakPolarHBondContact OG1-CG2 3.47Å; A393-V397 WeakPolarHBondContact O-CG2 3.29Å; A393-V397 PolarHBondContact O-N 2.82Å; A393-V397 VanDerWaalsContact O-N 3.14Å; L394-V397 WeakPolarHBondContact O-CG2 3.25Å; L394-V397 PolarHBondContact O-N 3.41Å; V397-A399 PolarHBondContact O-N 2.99Å |
| 398 | P | 85.8 | Confident | 90.9 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 138.7 | -179.5 | -27.7 | 34.7 | 0 | 0 | 0 | 111.9 | N400 | P398-N400 PolarHBondContact O-N 2.98Š|
| 399 | A | 78.1 | Confident | 90.6 | Very high | 63 Ų | 63 | 53 Ų | 53 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 121.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107 | L66 V397 | L66-A399 HydrophobicContact CD2-CB 3.77Å; V397-A399 PolarHBondContact O-N 2.99Å |
| 400 | N | 62.6 | Low | 90.2 | Very high | 198 Ų | 198 | 47 Ų | 47 | 100% | 1.059 | 27% | 0.274 | S | S | * | . | trans | -74.6 | 0 | 169.6 | -78.7 | -7.9 | 0 | 0 | 0 | 110.5 | P398 | P398-N400 PolarHBondContact O-N 2.98Š|
Retrieved 400 of 400 residues in 1447.7 ms
(Link to these results)