| 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 | 88.3 | Confident | 93.4 | Very high | 119 Ų | 119 | 79.1 Ų | 79.1 | 59% | 0.586 | 38% | 0.382 | S | S | * | . | 0 | 132.1 | 0 | -177.9 | 174.1 | 80.4 | 0 | 0 | 108.4 | M3 L43 H44 K47 | M1-M3 HydrophobicContact CE-CE 4.46Å; M1-M3 HydrophobicContact CE-CG 3.35Å; M1-M3 HydrophobicContact CE-SD 3.45Å; M1-M3 WeakPolarHBondContact CE-SD 3.36Å; M1-M3 HydrophobicContact CG-CG 4.42Å; M1-M3 PolarHBondContact O-N 3.2Å; M1-L43 HydrophobicContact CE-CG 4.36Å; M1-L43 HydrophobicContact SD-CD2 4.25Å; M1-L43 HydrophobicContact SD-CG 4.09Å; M1-H44 HydrophobicContact CE-CB 4.44Å; M1-H44 VanDerWaalsContact CE-CD2 3.45Å; M1-H44 WeakPolarHBondContact CE-CD2 3.3Å; M1-K47 HydrophobicContact CB-CB 4.22Å; M1-K47 HydrophobicContact CE-CB 3.48Å; M1-K47 VanDerWaalsContact CE-CB 3.48Å; M1-K47 HydrophobicContact CE-CG 3.82Å; M1-K47 HydrophobicContact SD-CB 3.85Å; M1-K47 HydrophobicContact SD-CG 3.62Å | |||
| 2 | L | 91.9 | Very high | 93.6 | Very high | 173 Ų | 173 | 73.4 Ų | 73.4 | 91% | 0.906 | 35% | 0.353 | S | S | * | . | trans | -68.9 | 127 | 173.7 | -176 | 63.5 | 0 | 0 | 0 | 109.1 | ||||
| 3 | M | 92.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 74.2 Ų | 74.2 | 13% | 0.128 | 36% | 0.356 | C | S | . | . | trans | -136.8 | 143.5 | 179.4 | -71.9 | -173.7 | -75.2 | 0 | 0 | 110.3 | M1 K5 H44 A48 | M1-M3 HydrophobicContact CE-CE 4.46Å; M1-M3 HydrophobicContact CE-CG 3.35Å; M1-M3 HydrophobicContact CE-SD 3.45Å; M1-M3 WeakPolarHBondContact CE-SD 3.36Å; M1-M3 HydrophobicContact CG-CG 4.42Å; M1-M3 PolarHBondContact O-N 3.2Å; M3-K5 PolarHBondContact O-N 3.21Å; M3-H44 HydrophobicContact CG-CB 4.47Å; M3-H44 HydrophobicContact SD-CB 3.7Å; M3-A48 HydrophobicContact CE-CB 3.8Å; M3-A48 HydrophobicContact SD-CB 4.34Å | ||
| 4 | P | 95.4 | Very high | 93.6 | Very high | 68 Ų | 68 | 70.7 Ų | 70.7 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | trans | -56 | 135.4 | 171.6 | -24.3 | 34 | 0 | 0 | 0 | 111.3 | K6 N7 R8 | P4-K6 PolarHBondContact O-N 2.96Å; P4-N7 HydrophobicContact CB-CB 4.44Å; P4-N7 PolarHBondContact O-N 3.36Å; P4-R8 PolarHBondContact O-N 2.91Å; P4-R8 VanDerWaalsContact O-N 3.17Å | ||
| 5 | K | 93.4 | Very high | 93.7 | Very high | 141 Ų | 141 | 66 Ų | 66 | 61% | 0.613 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.4 | -38.7 | -178.6 | -168.8 | 178.9 | -179.6 | -178 | 0 | 111.7 | M3 N7 R8 I9 | M3-K5 PolarHBondContact O-N 3.21Å; K5-N7 VanDerWaalsContact C-N 3.35Å; K5-N7 PolarHBondContact O-N 2.82Å; K5-R8 PolarHBondContact O-N 2.83Å; K5-I9 HydrophobicContact CD-CD1 4.39Å; K5-I9 HydrophobicContact CG-CD1 3.84Å; K5-I9 HydrophobicContact CG-CG1 4.37Å; K5-I9 VanDerWaalsContact O-CG1 3.32Å; K5-I9 WeakPolarHBondContact O-CG1 3.29Å; K5-I9 PolarHBondContact O-N 3.03Å |
| 6 | K | 93.7 | Very high | 93.7 | Very high | 181 Ų | 181 | 62.4 Ų | 62.4 | 79% | 0.787 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -55.9 | -45.9 | 176.2 | -62.2 | -176.4 | 179.9 | -178 | 0 | 112.3 | P4 A10 | P4-K6 PolarHBondContact O-N 2.96Å; K6-A10 WeakPolarHBondContact O-CB 3.25Å; K6-A10 PolarHBondContact O-N 3.23Å |
| 7 | N | 94 | Very high | 93.7 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.5 | -40.8 | -179.1 | -67.1 | -3.5 | 0 | 0 | 0 | 111.7 | P4 K5 A10 I11 V40 H44 | P4-N7 HydrophobicContact CB-CB 4.44Å; P4-N7 PolarHBondContact O-N 3.36Å; K5-N7 VanDerWaalsContact C-N 3.35Å; K5-N7 PolarHBondContact O-N 2.82Å; N7-A10 WeakPolarHBondContact O-CB 3.45Å; N7-A10 PolarHBondContact O-N 3.18Å; N7-I11 WeakPolarHBondContact O-CD1 3.44Å; N7-I11 WeakPolarHBondContact O-CG1 3.32Å; N7-I11 PolarHBondContact O-N 3.39Å; N7-V40 HydrophobicContact CB-CG1 4.38Å; N7-V40 HydrophobicContact CB-CG2 4.31Å; N7-H44 PolarHBondContact ND2-ND1 2.63Å |
| 8 | R | 93.9 | Very high | 93.7 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 32% | 0.317 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.3 | 178.7 | 172.8 | 48.7 | -168.1 | -6.3 | 111.8 | P4 K5 I11 Y12 | P4-R8 PolarHBondContact O-N 2.91Å; P4-R8 VanDerWaalsContact O-N 3.17Å; K5-R8 PolarHBondContact O-N 2.83Å; R8-I11 PolarHBondContact O-N 3.37Å; R8-Y12 HydrophobicContact CG-CD2 4.31Å; R8-Y12 HydrophobicContact CG-CE1 4.13Å; R8-Y12 HydrophobicContact CG-CE2 3.82Å; R8-Y12 WeakPolarHBondContact O-CD1 3.3Å; R8-Y12 PolarHBondContact O-N 2.89Å; R8-Y12 VanDerWaalsContact O-N 3.11Å |
| 9 | I | 94.7 | Very high | 93.7 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -47 | 175.8 | -68.1 | 168.6 | 0 | 0 | 0 | 110 | K5 I11 Y12 E13 F82 L83 | K5-I9 HydrophobicContact CD-CD1 4.39Å; K5-I9 HydrophobicContact CG-CD1 3.84Å; K5-I9 HydrophobicContact CG-CG1 4.37Å; K5-I9 VanDerWaalsContact O-CG1 3.32Å; K5-I9 WeakPolarHBondContact O-CG1 3.29Å; K5-I9 PolarHBondContact O-N 3.03Å; I9-I11 VanDerWaalsContact C-N 3.31Å; I9-I11 PolarHBondContact O-N 3.27Å; I9-Y12 PolarHBondContact O-N 3.15Å; I9-Y12 VanDerWaalsContact O-N 3.08Å; I9-E13 HydrophobicContact CG2-CG 4.08Å; I9-E13 VanDerWaalsContact CG2-OE1 3.28Å; I9-E13 WeakPolarHBondContact CG2-OE1 3.41Å; I9-E13 WeakPolarHBondContact O-CG 3.17Å; I9-E13 PolarHBondContact O-N 3.31Å; I9-F82 HydrophobicContact CG1-CE1 4.25Å; I9-L83 HydrophobicContact CG2-CD2 4.11Å |
| 10 | A | 94.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K6 N7 L14 K38 V40 | K6-A10 WeakPolarHBondContact O-CB 3.25Å; K6-A10 PolarHBondContact O-N 3.23Å; N7-A10 WeakPolarHBondContact O-CB 3.45Å; N7-A10 PolarHBondContact O-N 3.18Å; A10-L14 PolarHBondContact O-N 3.18Å; A10-K38 HydrophobicContact CB-CB 4.44Å; A10-K38 HydrophobicContact CB-CD 3.43Å; A10-K38 VanDerWaalsContact CB-CD 3.43Å; A10-V40 HydrophobicContact CB-CG2 4.21Å |
| 11 | I | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 176.9 | -65.8 | 162 | 0 | 0 | 0 | 110.3 | N7 R8 I9 L14 L15 M21 L35 V40 H44 V45 A48 M49 | N7-I11 WeakPolarHBondContact O-CD1 3.44Å; N7-I11 WeakPolarHBondContact O-CG1 3.32Å; N7-I11 PolarHBondContact O-N 3.39Å; R8-I11 PolarHBondContact O-N 3.37Å; I9-I11 VanDerWaalsContact C-N 3.31Å; I9-I11 PolarHBondContact O-N 3.27Å; I11-L14 PolarHBondContact O-N 3.08Å; I11-L15 WeakPolarHBondContact O-CB 3.27Å; I11-L15 PolarHBondContact O-N 3.22Å; I11-M21 HydrophobicContact CG2-CE 4.14Å; I11-M21 HydrophobicContact CG2-SD 4.25Å; I11-M21 WeakPolarHBondContact O-CE 3.28Å; I11-L35 HydrophobicContact CG1-CD1 3.82Å; I11-V40 HydrophobicContact CD1-CG1 3.93Å; I11-V40 HydrophobicContact CG1-CG1 4.01Å; I11-H44 HydrophobicContact CD1-CB 4.13Å; I11-V45 HydrophobicContact CD1-CG2 4.16Å; I11-V45 HydrophobicContact CG1-CG2 4.09Å; I11-A48 HydrophobicContact CD1-CB 4.05Å; I11-A48 HydrophobicContact CG2-CB 4.24Å; I11-M49 HydrophobicContact CG2-CE 3.46Å; I11-M49 VanDerWaalsContact CG2-CE 3.46Å |
| 12 | Y | 95.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.3 | -39.3 | -178.2 | -70.4 | 2.7 | 0 | 0 | 0 | 112.3 | R8 I9 L15 F16 A48 L52 Y78 L79 F82 | R8-Y12 HydrophobicContact CG-CD2 4.31Å; R8-Y12 HydrophobicContact CG-CE1 4.13Å; R8-Y12 HydrophobicContact CG-CE2 3.82Å; R8-Y12 WeakPolarHBondContact O-CD1 3.3Å; R8-Y12 PolarHBondContact O-N 2.89Å; R8-Y12 VanDerWaalsContact O-N 3.11Å; I9-Y12 PolarHBondContact O-N 3.15Å; I9-Y12 VanDerWaalsContact O-N 3.08Å; Y12-L15 PolarHBondContact O-N 3.28Å; Y12-F16 WeakPolarHBondContact O-CB 3.44Å; Y12-F16 PolarHBondContact O-N 3.36Å; Y12-A48 HydrophobicContact CE1-CB 4.49Å; Y12-L52 HydrophobicContact CD1-CD1 4.17Å; Y12-L52 HydrophobicContact CE1-CD1 3.74Å; Y12-L52 HydrophobicContact CE1-CD2 4.27Å; Y12-L52 HydrophobicContact CE1-CG 4.19Å; Y12-Y78 HydrophobicContact CE2-CE1 4.47Å; Y12-L79 HydrophobicContact CD1-CD2 4.22Å; Y12-L79 HydrophobicContact CD2-CD2 3.76Å; Y12-L79 HydrophobicContact CE2-CD2 4.31Å; Y12-L79 HydrophobicContact CG-CD2 3.71Å; Y12-F82 AromaticContact CD2-CD1 3.53Å; Y12-F82 HydrophobicContact CD2-CD1 3.53Å; Y12-F82 AromaticContact CD2-CE1 3.48Å; Y12-F82 HydrophobicContact CD2-CE1 3.48Å; Y12-F82 VanDerWaalsContact CD2-CE1 3.48Å; Y12-F82 HydrophobicContact CD2-CG 4.26Å; Y12-F82 HydrophobicContact CD2-CZ 4.19Å; Y12-F82 AromaticContact CE2-CD1 3.95Å; Y12-F82 HydrophobicContact CE2-CD1 3.95Å; Y12-F82 AromaticContact CE2-CE1 3.74Å; Y12-F82 HydrophobicContact CE2-CE1 3.74Å; Y12-F82 HydrophobicContact CE2-CE2 4.38Å; Y12-F82 HydrophobicContact CE2-CG 4.36Å; Y12-F82 AromaticContact CE2-CZ 3.97Å; Y12-F82 HydrophobicContact CE2-CZ 3.97Å |
| 13 | E | 93.9 | Very high | 94.3 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 173.4 | -74.1 | 171.5 | 173.5 | 0 | 0 | 111.6 | I9 F16 K17 K38 L83 | I9-E13 HydrophobicContact CG2-CG 4.08Å; I9-E13 VanDerWaalsContact CG2-OE1 3.28Å; I9-E13 WeakPolarHBondContact CG2-OE1 3.41Å; I9-E13 WeakPolarHBondContact O-CG 3.17Å; I9-E13 PolarHBondContact O-N 3.31Å; E13-F16 PolarHBondContact O-N 3.36Å; E13-K17 VanDerWaalsContact O-CB 3.28Å; E13-K17 WeakPolarHBondContact O-CB 3.28Å; E13-K17 PolarHBondContact O-N 3.44Å; E13-K38 IonicContact OE2-NZ 2.7Å; E13-K38 PolarHBondContact OE2-NZ 3.47Å; E13-L83 HydrophobicContact CG-CD2 4.05Å |
| 14 | L | 93.8 | Very high | 94.4 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 178.7 | 179.7 | 64.8 | 0 | 0 | 0 | 111 | A10 I11 F16 K17 E18 M21 E34 L35 | A10-L14 PolarHBondContact O-N 3.18Å; I11-L14 PolarHBondContact O-N 3.08Å; L14-F16 VanDerWaalsContact C-N 3.31Å; L14-F16 PolarHBondContact O-N 2.9Å; L14-K17 PolarHBondContact O-N 3.21Å; L14-E18 HydrophobicContact CD1-CG 4.14Å; L14-E18 PolarHBondContact O-N 3.49Å; L14-E18 VanDerWaalsContact O-N 3.08Å; L14-M21 HydrophobicContact CB-CE 3.98Å; L14-M21 HydrophobicContact CD2-CE 3.81Å; L14-M21 HydrophobicContact CG-CE 3.89Å; L14-E34 HydrophobicContact CD2-CB 3.81Å; L14-L35 HydrophobicContact CB-CD2 4.03Å; L14-L35 HydrophobicContact CD2-CD1 4.14Å; L14-L35 HydrophobicContact CD2-CD2 3.58Å; L14-L35 HydrophobicContact CD2-CG 3.58Å; L14-L35 HydrophobicContact CG-CD2 4.38Å |
| 15 | L | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 177.6 | -179 | 62.5 | 0 | 0 | 0 | 111.8 | I11 Y12 G19 M21 M49 L52 V58 L71 L79 | I11-L15 WeakPolarHBondContact O-CB 3.27Å; I11-L15 PolarHBondContact O-N 3.22Å; Y12-L15 PolarHBondContact O-N 3.28Å; L15-G19 WeakPolarHBondContact O-CA 3.24Å; L15-G19 PolarHBondContact O-N 2.97Å; L15-M21 HydrophobicContact CB-CE 3.86Å; L15-M21 HydrophobicContact CD1-CB 3.99Å; L15-M49 HydrophobicContact CB-CE 3.97Å; L15-M49 HydrophobicContact CD1-CE 4.08Å; L15-M49 HydrophobicContact CD2-CE 3.63Å; L15-M49 HydrophobicContact CD2-SD 3.87Å; L15-M49 HydrophobicContact CG-CE 4.1Å; L15-L52 HydrophobicContact CD2-CD1 3.72Å; L15-V58 HydrophobicContact CD2-CG2 3.97Å; L15-L71 HydrophobicContact CD2-CD1 4.03Å; L15-L71 HydrophobicContact CG-CD1 4.25Å; L15-L79 HydrophobicContact CB-CD1 4.49Å; L15-L79 HydrophobicContact CD2-CD1 3.83Å; L15-L79 HydrophobicContact CG-CD1 4.12Å |
| 16 | F | 95 | Very high | 94.5 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.7 | -36.8 | -179.9 | -170.5 | -98.2 | 0 | 0 | 0 | 112.2 | Y12 E13 L14 L71 I76 L79 R80 L83 L85 I89 P91 | Y12-F16 WeakPolarHBondContact O-CB 3.44Å; Y12-F16 PolarHBondContact O-N 3.36Å; E13-F16 PolarHBondContact O-N 3.36Å; L14-F16 VanDerWaalsContact C-N 3.31Å; L14-F16 PolarHBondContact O-N 2.9Å; F16-L71 HydrophobicContact CD2-CD2 4.39Å; F16-I76 HydrophobicContact CE2-CG2 3.92Å; F16-L79 HydrophobicContact CB-CD1 4.28Å; F16-L79 HydrophobicContact CD2-CB 3.83Å; F16-L79 HydrophobicContact CD2-CD1 4.36Å; F16-L79 HydrophobicContact CE2-CB 4.5Å; F16-R80 HydrophobicContact CE2-CB 4.43Å; F16-L83 HydrophobicContact CB-CD1 4.21Å; F16-L85 HydrophobicContact CD1-CD1 3.6Å; F16-L85 HydrophobicContact CE1-CD1 3.59Å; F16-L85 HydrophobicContact CG-CD1 4.28Å; F16-L85 HydrophobicContact CZ-CD1 4.26Å; F16-I89 HydrophobicContact CE1-CB 4.26Å; F16-I89 HydrophobicContact CE1-CG2 3.78Å; F16-I89 WeakPolarHBondContact CZ-O 3.46Å; F16-P91 HydrophobicContact CD2-CG 4.29Å; F16-P91 HydrophobicContact CE2-CG 4.23Å; F16-P91 VanDerWaalsContact O-CA 3.25Å; F16-P91 WeakPolarHBondContact O-CA 3.45Å; F16-P91 VanDerWaalsContact O-CB 3.24Å; F16-P91 WeakPolarHBondContact O-CB 3.46Å; F16-P91 WeakPolarHBondContact O-CG 3.45Å |
| 17 | K | 93.2 | Very high | 94.4 | Very high | 140 Ų | 140 | 43.6 Ų | 43.6 | 61% | 0.609 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.1 | -52.8 | 177.9 | -178.1 | -177.7 | 174.1 | -172.5 | 0 | 111.3 | E13 L14 A92 | E13-K17 VanDerWaalsContact O-CB 3.28Å; E13-K17 WeakPolarHBondContact O-CB 3.28Å; E13-K17 PolarHBondContact O-N 3.44Å; L14-K17 PolarHBondContact O-N 3.21Å; K17-A92 VanDerWaalsContact O-CB 3.3Å; K17-A92 WeakPolarHBondContact O-CB 3.33Å; K17-A92 PolarHBondContact O-N 3.19Å |
| 18 | E | 92.9 | Very high | 94.3 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -86 | -34.9 | -175.6 | -60 | -56 | 145.8 | 0 | 0 | 112.2 | L14 V20 T93 | L14-E18 HydrophobicContact CD1-CG 4.14Å; L14-E18 PolarHBondContact O-N 3.49Å; L14-E18 VanDerWaalsContact O-N 3.08Å; E18-V20 PolarHBondContact O-N 3.25Å; E18-T93 WeakPolarHBondContact O-CG2 3.45Å |
| 19 | G | 93.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 82.7 | -5.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L15 L71 | L15-G19 WeakPolarHBondContact O-CA 3.24Å; L15-G19 PolarHBondContact O-N 2.97Å; G19-L71 WeakPolarHBondContact O-CB 3.15Å; G19-L71 PolarHBondContact O-N 2.74Å; G19-L71 VanDerWaalsContact O-N 3.09Å |
| 20 | V | 94.4 | Very high | 93.9 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.7 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | E18 W69 Y70 T93 | E18-V20 PolarHBondContact O-N 3.25Å; V20-W69 VanDerWaalsContact CA-O 3.3Å; V20-W69 WeakPolarHBondContact CA-O 3.28Å; V20-W69 WeakPolarHBondContact CG1-O 3.45Å; V20-Y70 HydrophobicContact CG1-CD1 4.47Å; V20-Y70 HydrophobicContact CG1-CE1 4.43Å; V20-Y70 HydrophobicContact CG2-CD1 4.03Å; V20-Y70 HydrophobicContact CG2-CE1 4.43Å; V20-T93 HydrophobicContact CG2-CG2 3.83Å |
| 21 | M | 94.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 144.2 | 170 | -170.7 | 173.1 | -63.5 | 0 | 0 | 110.7 | I11 L14 L15 V45 M49 W69 | I11-M21 HydrophobicContact CG2-CE 4.14Å; I11-M21 HydrophobicContact CG2-SD 4.25Å; I11-M21 WeakPolarHBondContact O-CE 3.28Å; L14-M21 HydrophobicContact CB-CE 3.98Å; L14-M21 HydrophobicContact CD2-CE 3.81Å; L14-M21 HydrophobicContact CG-CE 3.89Å; L15-M21 HydrophobicContact CB-CE 3.86Å; L15-M21 HydrophobicContact CD1-CB 3.99Å; M21-V45 HydrophobicContact SD-CG1 3.57Å; M21-V45 VanDerWaalsContact SD-CG1 3.57Å; M21-M49 HydrophobicContact CB-CE 4.2Å; M21-M49 HydrophobicContact CE-CE 3.49Å; M21-M49 VanDerWaalsContact CE-CE 3.49Å; M21-M49 HydrophobicContact CG-CE 4.3Å; M21-M49 HydrophobicContact SD-CE 3.21Å; M21-M49 WeakPolarHBondContact SD-CE 3.39Å; M21-W69 HydrophobicContact CB-CE3 4.3Å; M21-W69 HydrophobicContact CG-CE3 4.39Å; M21-W69 PolarHBondContact N-O 3.33Å; M21-W69 PolarHBondContact O-N 3.41Å |
| 22 | V | 95.7 | Very high | 93.5 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 26% | 0.261 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135 | 178.5 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | H32 F67 Y68 | V22-H32 PolarHBondContact O-CE1 3.31Å; V22-H32 PolarHBondContact O-NE2 2.91Å; V22-F67 CarbonylContact C-O 3.58Å; V22-F67 VanDerWaalsContact CA-O 3.24Å; V22-F67 WeakPolarHBondContact CA-O 3.24Å; V22-F67 WeakPolarHBondContact CG1-O 3.37Å; V22-Y68 HydrophobicContact CB-CD1 4.5Å; V22-Y68 HydrophobicContact CG1-CD1 4.07Å; V22-Y68 HydrophobicContact CG1-CE1 3.91Å; V22-Y68 HydrophobicContact CG2-CD1 3.68Å; V22-Y68 HydrophobicContact CG2-CE1 4.06Å |
| 23 | A | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 141 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V45 H66 F67 W69 | A23-V45 HydrophobicContact CB-CG1 4.13Å; A23-H66 CarbonylContact O-C 3.56Å; A23-H66 WeakPolarHBondContact O-CA 3.34Å; A23-F67 PolarHBondContact N-O 3.04Å; A23-F67 PolarHBondContact O-N 3.12Å; A23-W69 HydrophobicContact CB-CH2 3.84Å; A23-W69 HydrophobicContact CB-CZ3 3.49Å; A23-W69 VanDerWaalsContact CB-CZ3 3.49Å |
| 24 | K | 95.5 | Very high | 92.8 | Very high | 91 Ų | 91 | 60.6 Ų | 60.6 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 139 | 169.2 | -170.4 | 178 | -179.2 | -177.1 | 0 | 109.3 | D26 N42 | K24-D26 HydrophobicContact CD-CB 4.43Å; K24-D26 HydrophobicContact CG-CB 4.3Å; K24-D26 PolarHBondContact O-N 3.12Å; K24-N42 PolarHBondContact O-ND2 3.39Å |
| 25 | K | 95.7 | Very high | 92.4 | Very high | 110 Ų | 110 | 59.7 Ų | 59.7 | 48% | 0.478 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -73.4 | 81.1 | 170.1 | -173.1 | -179.1 | 177.8 | -173.6 | 0 | 109.2 | M46 F62 R65 F67 | K25-M46 HydrophobicContact CG-CE 4.17Å; K25-F62 HydrophobicContact CB-CE2 3.93Å; K25-F62 HydrophobicContact CB-CZ 4.2Å; K25-F62 HydrophobicContact CD-CE2 3.94Å; K25-F62 HydrophobicContact CD-CZ 3.57Å; K25-F62 HydrophobicContact CG-CE2 4.48Å; K25-F62 HydrophobicContact CG-CZ 4.5Å; K25-R65 HydrophobicContact CB-CB 4.48Å; K25-R65 WeakPolarHBondContact CB-O 3.34Å; K25-R65 PolarHBondContact N-O 3.45Å; K25-F67 HydrophobicContact CB-CD2 4.24Å; K25-F67 HydrophobicContact CB-CE2 3.53Å; K25-F67 HydrophobicContact CB-CZ 4.17Å; K25-F67 HydrophobicContact CD-CE2 4.32Å; K25-F67 HydrophobicContact CD-CZ 4.11Å; K25-F67 HydrophobicContact CG-CE2 3.74Å; K25-F67 HydrophobicContact CG-CZ 4.01Å |
| 26 | D | 94.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | trans | -147.6 | 110.8 | 177.2 | -169.2 | -17.4 | 0 | 0 | 0 | 109.4 | K24 H28 L29 N42 | K24-D26 HydrophobicContact CD-CB 4.43Å; K24-D26 HydrophobicContact CG-CB 4.3Å; K24-D26 PolarHBondContact O-N 3.12Å; D26-H28 VanDerWaalsContact C-N 3.35Å; D26-H28 PolarHBondContact OD1-N 3.05Å; D26-L29 HydrophobicContact CB-CB 4.25Å; D26-L29 PolarHBondContact OD1-N 2.94Å; D26-N42 PolarHBondContact O-ND2 3.46Å | ||
| 27 | V | 91.8 | Very high | 90.6 | Very high | 70 Ų | 70 | 68.6 Ų | 68.6 | 42% | 0.424 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -81.2 | -18 | -176.6 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | L43 M46 | V27-L43 HydrophobicContact CB-CD1 4.22Å; V27-L43 HydrophobicContact CG1-CD1 4Å; V27-M46 HydrophobicContact CG1-CE 4.25Å; V27-M46 HydrophobicContact CG1-SD 4.46Å |
| 28 | H | 92 | Very high | 90.2 | Very high | 166 Ų | 166 | 66.5 Ų | 66.5 | 77% | 0.769 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -92.9 | -8.2 | -176.4 | -59.4 | -66.2 | 0 | 0 | 0 | 112.5 | D26 A30 | D26-H28 VanDerWaalsContact C-N 3.35Å; D26-H28 PolarHBondContact OD1-N 3.05Å; H28-A30 PolarHBondContact O-N 3.3Å |
| 29 | L | 90.6 | Very high | 89.9 | Confident | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | trans | -64.6 | 108.8 | 176.2 | -170.6 | 71.4 | 0 | 0 | 0 | 110.2 | D26 K31 N42 | D26-L29 HydrophobicContact CB-CB 4.25Å; D26-L29 PolarHBondContact OD1-N 2.94Å; L29-K31 VanDerWaalsContact C-N 3.26Å; L29-K31 WeakPolarHBondContact CD2-O 3.28Å; L29-K31 WeakPolarHBondContact CG-O 3.41Å; L29-K31 PolarHBondContact O-N 3.07Å; L29-N42 HydrophobicContact CB-CB 3.89Å; L29-N42 HydrophobicContact CD2-CB 4.07Å; L29-N42 HydrophobicContact CG-CB 4.33Å; L29-N42 PolarHBondContact O-N 3.47Å | ||
| 30 | A | 89.1 | Confident | 89.7 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 63% | 0.628 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -61.8 | -30.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H28 P41 | H28-A30 PolarHBondContact O-N 3.3Å; A30-P41 WeakPolarHBondContact O-CA 3.23Å |
| 31 | K | 90.8 | Very high | 89.7 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 47% | 0.47 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -138.3 | 137.4 | 180 | -58.6 | -173.5 | -170.9 | -170.4 | 0 | 110.9 | L29 N39 V40 | L29-K31 VanDerWaalsContact C-N 3.26Å; L29-K31 WeakPolarHBondContact CD2-O 3.28Å; L29-K31 WeakPolarHBondContact CG-O 3.41Å; L29-K31 PolarHBondContact O-N 3.07Å; K31-N39 WeakPolarHBondContact CE-OD1 3.47Å; K31-N39 PolarHBondContact NZ-OD1 3.19Å; K31-V40 WeakPolarHBondContact CA-O 3.39Å |
| 32 | H | 90.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | trans | -78.6 | 133.6 | 172.6 | -175.3 | 78.2 | 0 | 0 | 0 | 110.3 | V22 E34 L35 A36 V40 N42 V45 | V22-H32 PolarHBondContact O-CE1 3.31Å; V22-H32 PolarHBondContact O-NE2 2.91Å; H32-E34 PolarHBondContact CD2-N 3.45Å; H32-E34 PolarHBondContact O-N 3.08Å; H32-L35 HydrophobicContact CB-CB 4.26Å; H32-L35 CarbonylContact O-C 3.59Å; H32-L35 VanDerWaalsContact O-C 3.29Å; H32-L35 PolarHBondContact O-N 3.2Å; H32-A36 PolarHBondContact O-N 2.8Å; H32-V40 PolarHBondContact N-O 3.46Å; H32-N42 PolarHBondContact ND1-OD1 2.7Å; H32-V45 HydrophobicContact CB-CG2 4.06Å | ||
| 33 | P | 90 | Very high | 89.6 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -58.1 | -41.6 | -172.8 | 20.3 | -33 | 0 | 0 | 0 | 114.1 | L35 | P33-L35 VanDerWaalsContact C-N 3.29Å; P33-L35 PolarHBondContact O-N 3.4Å |
| 34 | E | 85.5 | Confident | 89.5 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -79 | -11.1 | 179.2 | -60.6 | -179.1 | 172.8 | 0 | 0 | 113.7 | L14 H32 | L14-E34 HydrophobicContact CD2-CB 3.81Å; H32-E34 PolarHBondContact CD2-N 3.45Å; H32-E34 PolarHBondContact O-N 3.08Å |
| 35 | L | 84.6 | Confident | 89.5 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -121.1 | 25.8 | 179.4 | -67.3 | 169.4 | 0 | 0 | 0 | 111.4 | I11 L14 H32 P33 D37 K38 N39 V40 V45 | I11-L35 HydrophobicContact CG1-CD1 3.82Å; L14-L35 HydrophobicContact CB-CD2 4.03Å; L14-L35 HydrophobicContact CD2-CD1 4.14Å; L14-L35 HydrophobicContact CD2-CD2 3.58Å; L14-L35 HydrophobicContact CD2-CG 3.58Å; L14-L35 HydrophobicContact CG-CD2 4.38Å; H32-L35 HydrophobicContact CB-CB 4.26Å; H32-L35 CarbonylContact O-C 3.59Å; H32-L35 VanDerWaalsContact O-C 3.29Å; H32-L35 PolarHBondContact O-N 3.2Å; P33-L35 VanDerWaalsContact C-N 3.29Å; P33-L35 PolarHBondContact O-N 3.4Å; L35-D37 VanDerWaalsContact C-N 3.25Å; L35-D37 PolarHBondContact O-N 2.88Å; L35-K38 HydrophobicContact CD2-CD 4.43Å; L35-K38 PolarHBondContact O-N 2.85Å; L35-N39 PolarHBondContact O-N 3.4Å; L35-V40 HydrophobicContact CB-CB 3.95Å; L35-V40 HydrophobicContact CB-CG2 4.24Å; L35-V40 HydrophobicContact CD1-CB 4.12Å; L35-V40 HydrophobicContact CD1-CG1 4.16Å; L35-V40 HydrophobicContact CD1-CG2 4.36Å; L35-V45 HydrophobicContact CD1-CG2 3.9Å |
| 36 | A | 75.1 | Confident | 89.5 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 35% | 0.347 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -40.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H32 K38 N39 | H32-A36 PolarHBondContact O-N 2.8Å; A36-K38 VanDerWaalsContact C-N 3.28Å; A36-K38 PolarHBondContact O-N 2.91Å; A36-N39 PolarHBondContact O-N 3.5Å |
| 37 | D | 77.6 | Confident | 89.6 | Confident | 154 Ų | 154 | 61.6 Ų | 61.6 | 82% | 0.824 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -34.1 | -178.7 | -54.5 | -33.2 | 0 | 0 | 0 | 112.8 | L35 N39 | L35-D37 VanDerWaalsContact C-N 3.25Å; L35-D37 PolarHBondContact O-N 2.88Å; D37-N39 VanDerWaalsContact C-N 3.35Å |
| 38 | K | 82.9 | Confident | 89.8 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.4 | -176.8 | -62.5 | -176.7 | -178.1 | 177.7 | 0 | 112.7 | A10 E13 L35 A36 V40 | A10-K38 HydrophobicContact CB-CB 4.44Å; A10-K38 HydrophobicContact CB-CD 3.43Å; A10-K38 VanDerWaalsContact CB-CD 3.43Å; E13-K38 IonicContact OE2-NZ 2.7Å; E13-K38 PolarHBondContact OE2-NZ 3.47Å; L35-K38 HydrophobicContact CD2-CD 4.43Å; L35-K38 PolarHBondContact O-N 2.85Å; A36-K38 VanDerWaalsContact C-N 3.28Å; A36-K38 PolarHBondContact O-N 2.91Å; K38-V40 HydrophobicContact CB-CG2 3.95Å; K38-V40 PolarHBondContact O-N 3.02Å |
| 39 | N | 87.4 | Confident | 89.9 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 49% | 0.492 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 39.1 | -178.5 | -66.5 | -55.6 | 0 | 0 | 0 | 113.6 | K31 L35 A36 D37 P41 | K31-N39 WeakPolarHBondContact CE-OD1 3.47Å; K31-N39 PolarHBondContact NZ-OD1 3.19Å; L35-N39 PolarHBondContact O-N 3.4Å; A36-N39 PolarHBondContact O-N 3.5Å; D37-N39 VanDerWaalsContact C-N 3.35Å; N39-P41 WeakPolarHBondContact O-CD 3.3Å |
| 40 | V | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -85.6 | 122.4 | -179.1 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | N7 A10 I11 K31 H32 L35 K38 H44 V45 | N7-V40 HydrophobicContact CB-CG1 4.38Å; N7-V40 HydrophobicContact CB-CG2 4.31Å; A10-V40 HydrophobicContact CB-CG2 4.21Å; I11-V40 HydrophobicContact CD1-CG1 3.93Å; I11-V40 HydrophobicContact CG1-CG1 4.01Å; K31-V40 WeakPolarHBondContact CA-O 3.39Å; H32-V40 PolarHBondContact N-O 3.46Å; L35-V40 HydrophobicContact CB-CB 3.95Å; L35-V40 HydrophobicContact CB-CG2 4.24Å; L35-V40 HydrophobicContact CD1-CB 4.12Å; L35-V40 HydrophobicContact CD1-CG1 4.16Å; L35-V40 HydrophobicContact CD1-CG2 4.36Å; K38-V40 HydrophobicContact CB-CG2 3.95Å; K38-V40 PolarHBondContact O-N 3.02Å; V40-H44 HydrophobicContact CG1-CB 4.11Å; V40-V45 HydrophobicContact CG1-CG2 4.15Å | ||
| 41 | P | 93.5 | Very high | 90.5 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | trans | -65.2 | 146.6 | 173.6 | -21.2 | 32.8 | 0 | 0 | 0 | 112.8 | A30 N39 L43 H44 V45 | A30-P41 WeakPolarHBondContact O-CA 3.23Å; N39-P41 WeakPolarHBondContact O-CD 3.3Å; P41-L43 PolarHBondContact O-N 3.02Å; P41-H44 WeakPolarHBondContact O-CB 3.3Å; P41-H44 PolarHBondContact O-N 3.21Å; P41-V45 PolarHBondContact O-N 3.42Å | ||
| 42 | N | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -30.5 | -179.8 | -167.3 | 53 | 0 | 0 | 0 | 112.7 | K24 D26 L29 H32 H44 V45 M46 | K24-N42 PolarHBondContact O-ND2 3.39Å; D26-N42 PolarHBondContact O-ND2 3.46Å; L29-N42 HydrophobicContact CB-CB 3.89Å; L29-N42 HydrophobicContact CD2-CB 4.07Å; L29-N42 HydrophobicContact CG-CB 4.33Å; L29-N42 PolarHBondContact O-N 3.47Å; H32-N42 PolarHBondContact ND1-OD1 2.7Å; N42-H44 VanDerWaalsContact C-N 3.26Å; N42-H44 PolarHBondContact O-N 3.37Å; N42-V45 WeakPolarHBondContact O-CB 3.34Å; N42-V45 PolarHBondContact O-N 3.03Å; N42-M46 WeakPolarHBondContact O-CG 3.4Å; N42-M46 PolarHBondContact O-N 2.93Å |
| 43 | L | 94.4 | Very high | 91.1 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 29% | 0.293 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.8 | -40.5 | 172.9 | 179.6 | 64.6 | 0 | 0 | 0 | 112.2 | M1 V27 P41 M46 K47 | M1-L43 HydrophobicContact CE-CG 4.36Å; M1-L43 HydrophobicContact SD-CD2 4.25Å; M1-L43 HydrophobicContact SD-CG 4.09Å; V27-L43 HydrophobicContact CB-CD1 4.22Å; V27-L43 HydrophobicContact CG1-CD1 4Å; P41-L43 PolarHBondContact O-N 3.02Å; L43-M46 PolarHBondContact O-N 3.32Å; L43-K47 HydrophobicContact CD1-CG 4.02Å; L43-K47 WeakPolarHBondContact O-CB 3.49Å; L43-K47 WeakPolarHBondContact O-CG 3.4Å; L43-K47 PolarHBondContact O-N 3.39Å |
| 44 | H | 94.6 | Very high | 91.4 | Very high | 30 Ų | 30 | 51 Ų | 51 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 178.3 | -68.4 | 178.6 | 0 | 0 | 0 | 111.2 | M1 M3 N7 I11 V40 P41 N42 K47 A48 | M1-H44 HydrophobicContact CE-CB 4.44Å; M1-H44 VanDerWaalsContact CE-CD2 3.45Å; M1-H44 WeakPolarHBondContact CE-CD2 3.3Å; M3-H44 HydrophobicContact CG-CB 4.47Å; M3-H44 HydrophobicContact SD-CB 3.7Å; N7-H44 PolarHBondContact ND2-ND1 2.63Å; I11-H44 HydrophobicContact CD1-CB 4.13Å; V40-H44 HydrophobicContact CG1-CB 4.11Å; P41-H44 WeakPolarHBondContact O-CB 3.3Å; P41-H44 PolarHBondContact O-N 3.21Å; N42-H44 VanDerWaalsContact C-N 3.26Å; N42-H44 PolarHBondContact O-N 3.37Å; H44-K47 PolarHBondContact O-N 3.4Å; H44-A48 WeakPolarHBondContact O-CB 3.46Å; H44-A48 PolarHBondContact O-N 2.95Å |
| 45 | V | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -53.2 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | I11 M21 A23 H32 L35 V40 P41 N42 K47 A48 M49 W69 | I11-V45 HydrophobicContact CD1-CG2 4.16Å; I11-V45 HydrophobicContact CG1-CG2 4.09Å; M21-V45 HydrophobicContact SD-CG1 3.57Å; M21-V45 VanDerWaalsContact SD-CG1 3.57Å; A23-V45 HydrophobicContact CB-CG1 4.13Å; H32-V45 HydrophobicContact CB-CG2 4.06Å; L35-V45 HydrophobicContact CD1-CG2 3.9Å; V40-V45 HydrophobicContact CG1-CG2 4.15Å; P41-V45 PolarHBondContact O-N 3.42Å; N42-V45 WeakPolarHBondContact O-CB 3.34Å; N42-V45 PolarHBondContact O-N 3.03Å; V45-K47 VanDerWaalsContact C-N 3.31Å; V45-K47 PolarHBondContact O-N 3.44Å; V45-A48 PolarHBondContact O-N 3.33Å; V45-M49 HydrophobicContact CG1-CG 4.36Å; V45-M49 WeakPolarHBondContact O-CB 3.36Å; V45-M49 VanDerWaalsContact O-CG 3.28Å; V45-M49 WeakPolarHBondContact O-CG 3.2Å; V45-M49 PolarHBondContact O-N 3.21Å; V45-W69 HydrophobicContact CG1-CZ3 4.03Å |
| 46 | M | 95.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -42.7 | -178.3 | -71.9 | 178.1 | 53.3 | 0 | 0 | 112.6 | K25 V27 N42 L43 Q50 F67 W69 | K25-M46 HydrophobicContact CG-CE 4.17Å; V27-M46 HydrophobicContact CG1-CE 4.25Å; V27-M46 HydrophobicContact CG1-SD 4.46Å; N42-M46 WeakPolarHBondContact O-CG 3.4Å; N42-M46 PolarHBondContact O-N 2.93Å; L43-M46 PolarHBondContact O-N 3.32Å; M46-Q50 VanDerWaalsContact O-CB 3.3Å; M46-Q50 WeakPolarHBondContact O-CB 3.49Å; M46-Q50 PolarHBondContact O-N 3.2Å; M46-F67 HydrophobicContact CE-CE2 3.57Å; M46-F67 HydrophobicContact CE-CZ 4.09Å; M46-F67 HydrophobicContact CG-CD2 4.38Å; M46-F67 HydrophobicContact CG-CE2 4.25Å; M46-F67 HydrophobicContact SD-CE2 4.16Å; M46-W69 HydrophobicContact CG-CH2 4.45Å |
| 47 | K | 95.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -80.4 | -31.8 | -177.4 | -64 | -59.9 | -178.6 | -177.8 | 0 | 113.2 | M1 L43 H44 V45 S51 | M1-K47 HydrophobicContact CB-CB 4.22Å; M1-K47 HydrophobicContact CE-CB 3.48Å; M1-K47 VanDerWaalsContact CE-CB 3.48Å; M1-K47 HydrophobicContact CE-CG 3.82Å; M1-K47 HydrophobicContact SD-CB 3.85Å; M1-K47 HydrophobicContact SD-CG 3.62Å; L43-K47 HydrophobicContact CD1-CG 4.02Å; L43-K47 WeakPolarHBondContact O-CB 3.49Å; L43-K47 WeakPolarHBondContact O-CG 3.4Å; L43-K47 PolarHBondContact O-N 3.39Å; H44-K47 PolarHBondContact O-N 3.4Å; V45-K47 VanDerWaalsContact C-N 3.31Å; V45-K47 PolarHBondContact O-N 3.44Å; K47-S51 PolarHBondContact O-N 3.01Å |
| 48 | A | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -48.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | M3 I11 Y12 H44 V45 Q50 S51 L52 | M3-A48 HydrophobicContact CE-CB 3.8Å; M3-A48 HydrophobicContact SD-CB 4.34Å; I11-A48 HydrophobicContact CD1-CB 4.05Å; I11-A48 HydrophobicContact CG2-CB 4.24Å; Y12-A48 HydrophobicContact CE1-CB 4.49Å; H44-A48 WeakPolarHBondContact O-CB 3.46Å; H44-A48 PolarHBondContact O-N 2.95Å; V45-A48 PolarHBondContact O-N 3.33Å; A48-Q50 PolarHBondContact O-N 3.39Å; A48-S51 WeakPolarHBondContact O-CB 3.38Å; A48-S51 PolarHBondContact O-N 3.05Å; A48-S51 VanDerWaalsContact O-N 3.14Å; A48-L52 PolarHBondContact O-N 3.42Å |
| 49 | M | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 179.8 | -66.2 | -58.7 | 169.3 | 0 | 0 | 112.8 | I11 L15 M21 V45 S51 L52 K53 W69 | I11-M49 HydrophobicContact CG2-CE 3.46Å; I11-M49 VanDerWaalsContact CG2-CE 3.46Å; L15-M49 HydrophobicContact CB-CE 3.97Å; L15-M49 HydrophobicContact CD1-CE 4.08Å; L15-M49 HydrophobicContact CD2-CE 3.63Å; L15-M49 HydrophobicContact CD2-SD 3.87Å; L15-M49 HydrophobicContact CG-CE 4.1Å; M21-M49 HydrophobicContact CB-CE 4.2Å; M21-M49 HydrophobicContact CE-CE 3.49Å; M21-M49 VanDerWaalsContact CE-CE 3.49Å; M21-M49 HydrophobicContact CG-CE 4.3Å; M21-M49 HydrophobicContact SD-CE 3.21Å; M21-M49 WeakPolarHBondContact SD-CE 3.39Å; V45-M49 HydrophobicContact CG1-CG 4.36Å; V45-M49 WeakPolarHBondContact O-CB 3.36Å; V45-M49 VanDerWaalsContact O-CG 3.28Å; V45-M49 WeakPolarHBondContact O-CG 3.2Å; V45-M49 PolarHBondContact O-N 3.21Å; M49-S51 VanDerWaalsContact C-N 3.25Å; M49-S51 PolarHBondContact O-N 3.33Å; M49-L52 PolarHBondContact O-N 3.25Å; M49-L52 HydrophobicContact SD-CD1 3.94Å; M49-K53 WeakPolarHBondContact O-CB 3.39Å; M49-K53 PolarHBondContact O-N 2.98Å; M49-W69 HydrophobicContact CB-CD2 3.62Å; M49-W69 HydrophobicContact CB-CE3 3.97Å; M49-W69 HydrophobicContact CB-CG 4.21Å; M49-W69 HydrophobicContact CB-CH2 3.77Å; M49-W69 HydrophobicContact CB-CZ2 3.43Å; M49-W69 VanDerWaalsContact CB-CZ2 3.43Å; M49-W69 HydrophobicContact CB-CZ3 4.02Å; M49-W69 HydrophobicContact CG-CD2 3.7Å; M49-W69 HydrophobicContact CG-CE3 3.6Å; M49-W69 HydrophobicContact CG-CG 4.33Å; M49-W69 HydrophobicContact CG-CH2 3.97Å; M49-W69 HydrophobicContact CG-CZ2 4.09Å; M49-W69 HydrophobicContact CG-CZ3 3.72Å; M49-W69 HydrophobicContact SD-CD2 4.42Å; M49-W69 HydrophobicContact SD-CE3 4.48Å |
| 50 | Q | 96 | Very high | 95.4 | Very high | 104 Ų | 104 | 44.8 Ų | 44.8 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.7 | -40.1 | 171.5 | -174.9 | 178.3 | 0.4 | 0 | 0 | 111.7 | M46 A48 S54 | M46-Q50 VanDerWaalsContact O-CB 3.3Å; M46-Q50 WeakPolarHBondContact O-CB 3.49Å; M46-Q50 PolarHBondContact O-N 3.2Å; A48-Q50 PolarHBondContact O-N 3.39Å; Q50-S54 PolarHBondContact O-N 3.05Å; Q50-S54 VanDerWaalsContact O-N 3.11Å; Q50-S54 PolarHBondContact O-OG 3Å |
| 51 | S | 95.8 | Very high | 95.8 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 43% | 0.427 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 176.3 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | K47 A48 M49 K53 S54 C55 | K47-S51 PolarHBondContact O-N 3.01Å; A48-S51 WeakPolarHBondContact O-CB 3.38Å; A48-S51 PolarHBondContact O-N 3.05Å; A48-S51 VanDerWaalsContact O-N 3.14Å; M49-S51 VanDerWaalsContact C-N 3.25Å; M49-S51 PolarHBondContact O-N 3.33Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 3.31Å; S51-S54 PolarHBondContact O-N 3.42Å; S51-S54 PolarHBondContact O-OG 3.08Å; S51-C55 PolarHBondContact O-N 3.11Å; S51-C55 PolarHBondContact O-SG 3.41Å; S51-C55 VanDerWaalsContact O-SG 3.38Å |
| 52 | L | 95.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | 178.2 | -68.3 | 177.6 | 0 | 0 | 0 | 111.8 | Y12 L15 A48 M49 C55 G56 Y57 V58 Y78 | Y12-L52 HydrophobicContact CD1-CD1 4.17Å; Y12-L52 HydrophobicContact CE1-CD1 3.74Å; Y12-L52 HydrophobicContact CE1-CD2 4.27Å; Y12-L52 HydrophobicContact CE1-CG 4.19Å; L15-L52 HydrophobicContact CD2-CD1 3.72Å; A48-L52 PolarHBondContact O-N 3.42Å; M49-L52 PolarHBondContact O-N 3.25Å; M49-L52 HydrophobicContact SD-CD1 3.94Å; L52-C55 PolarHBondContact O-N 3.03Å; L52-G56 PolarHBondContact O-N 3.09Å; L52-Y57 HydrophobicContact CD2-CD2 3.86Å; L52-Y57 PolarHBondContact O-N 3.17Å; L52-Y57 VanDerWaalsContact O-N 3.08Å; L52-V58 HydrophobicContact CB-CB 4.3Å; L52-V58 HydrophobicContact CB-CG2 3.82Å; L52-V58 HydrophobicContact CD1-CG2 4.15Å; L52-Y78 HydrophobicContact CD2-CD1 4.22Å; L52-Y78 HydrophobicContact CD2-CE1 3.85Å |
| 53 | K | 96.8 | Very high | 96 | Very high | 97 Ų | 97 | 53.8 Ų | 53.8 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 173.6 | -178.3 | -155.6 | -176.2 | 168.8 | 0 | 111.7 | M49 S51 C55 G56 E60 | M49-K53 WeakPolarHBondContact O-CB 3.39Å; M49-K53 PolarHBondContact O-N 2.98Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 3.31Å; K53-C55 PolarHBondContact O-N 3.29Å; K53-G56 PolarHBondContact O-N 3.36Å; K53-E60 HydrophobicContact CD-CB 4Å; K53-E60 WeakPolarHBondContact CD-OE2 3.32Å; K53-E60 HydrophobicContact CG-CB 4.23Å; K53-E60 IonicContact NZ-OE1 2.77Å; K53-E60 PolarHBondContact NZ-OE1 2.97Å; K53-E60 IonicContact NZ-OE2 3.71Å |
| 54 | S | 96.5 | Very high | 96.1 | Very high | 95 Ų | 95 | 62.4 Ų | 62.4 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.5 | -25.2 | -179.8 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | Q50 S51 | Q50-S54 PolarHBondContact O-N 3.05Å; Q50-S54 VanDerWaalsContact O-N 3.11Å; Q50-S54 PolarHBondContact O-OG 3Å; S51-S54 PolarHBondContact O-N 3.42Å; S51-S54 PolarHBondContact O-OG 3.08Å |
| 55 | C | 94.6 | Very high | 96.2 | Very high | 68 Ų | 68 | 68 Ų | 68 | 46% | 0.459 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3 | 175.9 | -61 | 0 | 0 | 0 | 0 | 113.8 | S51 L52 K53 Y57 | S51-C55 PolarHBondContact O-N 3.11Å; S51-C55 PolarHBondContact O-SG 3.41Å; S51-C55 VanDerWaalsContact O-SG 3.38Å; L52-C55 PolarHBondContact O-N 3.03Å; K53-C55 PolarHBondContact O-N 3.29Å; C55-Y57 VanDerWaalsContact C-N 3.35Å; C55-Y57 HydrophobicContact CB-CD2 3.59Å; C55-Y57 HydrophobicContact CB-CE2 3.48Å; C55-Y57 VanDerWaalsContact CB-CE2 3.48Å; C55-Y57 HydrophobicContact CB-CG 4.25Å |
| 56 | G | 96.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 71.1 Ų | 71.1 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 1.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L52 K53 V58 T72 | L52-G56 PolarHBondContact O-N 3.09Å; K53-G56 PolarHBondContact O-N 3.36Å; G56-V58 VanDerWaalsContact C-N 3.3Å; G56-V58 PolarHBondContact O-N 3.37Å; G56-T72 PolarHBondContact O-OG1 2.96Å; G56-T72 VanDerWaalsContact O-OG1 3.06Å |
| 57 | Y | 96.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 71.4 Ų | 71.4 | 24% | 0.239 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -74.5 | -18.8 | -177.9 | -60.2 | -37 | 0 | 0 | 0 | 114.1 | L52 C55 T72 E74 G75 Y78 | L52-Y57 HydrophobicContact CD2-CD2 3.86Å; L52-Y57 PolarHBondContact O-N 3.17Å; L52-Y57 VanDerWaalsContact O-N 3.08Å; C55-Y57 VanDerWaalsContact C-N 3.35Å; C55-Y57 HydrophobicContact CB-CD2 3.59Å; C55-Y57 HydrophobicContact CB-CE2 3.48Å; C55-Y57 VanDerWaalsContact CB-CE2 3.48Å; C55-Y57 HydrophobicContact CB-CG 4.25Å; Y57-T72 WeakPolarHBondContact CA-OG1 3.33Å; Y57-T72 PolarHBondContact O-N 2.95Å; Y57-T72 PolarHBondContact O-OG1 3.05Å; Y57-E74 HydrophobicContact CD1-CB 4.33Å; Y57-G75 WeakPolarHBondContact O-CA 3.46Å; Y57-Y78 HydrophobicContact CD1-CG 4.42Å; Y57-Y78 AromaticContact CD2-CD1 3.7Å; Y57-Y78 HydrophobicContact CD2-CD1 3.7Å; Y57-Y78 HydrophobicContact CD2-CD2 4.4Å; Y57-Y78 HydrophobicContact CD2-CE1 4.14Å; Y57-Y78 AromaticContact CD2-CG 3.85Å; Y57-Y78 HydrophobicContact CD2-CG 3.85Å; Y57-Y78 HydrophobicContact CE1-CD2 4.42Å; Y57-Y78 HydrophobicContact CE1-CG 4.14Å; Y57-Y78 AromaticContact CE2-CD1 3.72Å; Y57-Y78 HydrophobicContact CE2-CD1 3.72Å; Y57-Y78 AromaticContact CE2-CD2 3.61Å; Y57-Y78 HydrophobicContact CE2-CD2 3.61Å; Y57-Y78 HydrophobicContact CE2-CE1 4.03Å; Y57-Y78 AromaticContact CE2-CE2 3.92Å; Y57-Y78 HydrophobicContact CE2-CE2 3.92Å; Y57-Y78 AromaticContact CE2-CG 3.5Å; Y57-Y78 HydrophobicContact CE2-CG 3.5Å; Y57-Y78 VanDerWaalsContact CE2-CG 3.5Å; Y57-Y78 HydrophobicContact CG-CD1 4.3Å; Y57-Y78 HydrophobicContact CG-CG 4.31Å; Y57-Y78 AromaticContact CZ-CD2 3.62Å; Y57-Y78 AromaticContact CZ-CG 3.66Å |
| 58 | V | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.6 | -175.7 | 174.4 | 0 | 0 | 0 | 0 | 109.5 | L15 L52 G56 W69 Y70 L71 | L15-V58 HydrophobicContact CD2-CG2 3.97Å; L52-V58 HydrophobicContact CB-CB 4.3Å; L52-V58 HydrophobicContact CB-CG2 3.82Å; L52-V58 HydrophobicContact CD1-CG2 4.15Å; G56-V58 VanDerWaalsContact C-N 3.3Å; G56-V58 PolarHBondContact O-N 3.37Å; V58-W69 HydrophobicContact CG1-CB 3.48Å; V58-W69 VanDerWaalsContact CG1-CB 3.48Å; V58-W69 HydrophobicContact CG1-CG 3.81Å; V58-Y70 CarbonylContact C-O 3.29Å; V58-Y70 WeakPolarHBondContact CA-O 3.36Å; V58-L71 HydrophobicContact CG2-CD1 4.08Å |
| 59 | K | 96.8 | Very high | 96.5 | Very high | 141 Ų | 141 | 71.2 Ų | 71.2 | 61% | 0.613 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.6 | 169.7 | -174.5 | 178.7 | -178.2 | 178.5 | 0 | 109.7 | W69 Y70 T72 | K59-W69 CarbonylContact O-C 3.58Å; K59-W69 WeakPolarHBondContact O-CA 3.21Å; K59-Y70 PolarHBondContact N-O 2.99Å; K59-Y70 PolarHBondContact O-N 3.13Å; K59-T72 HydrophobicContact CB-CG2 4.38Å |
| 60 | E | 96.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 76.4 Ų | 76.4 | 23% | 0.229 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.4 | 177.9 | -179.1 | 178.5 | 104.7 | 0 | 0 | 111.2 | K53 F67 Y68 W69 | K53-E60 HydrophobicContact CD-CB 4Å; K53-E60 WeakPolarHBondContact CD-OE2 3.32Å; K53-E60 HydrophobicContact CG-CB 4.23Å; K53-E60 IonicContact NZ-OE1 2.77Å; K53-E60 PolarHBondContact NZ-OE1 2.97Å; K53-E60 IonicContact NZ-OE2 3.71Å; E60-F67 HydrophobicContact CG-CD1 4.3Å; E60-Y68 CarbonylContact C-O 3.57Å; E60-Y68 WeakPolarHBondContact CA-O 3.47Å; E60-W69 PolarHBondContact OE2-NE1 3.06Å |
| 61 | Q | 96.8 | Very high | 96.5 | Very high | 106 Ų | 106 | 72.6 Ų | 72.6 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.7 | 165.3 | -180 | 68.3 | 7.6 | 0 | 0 | 108.1 | Y68 Y70 | Q61-Y68 PolarHBondContact N-O 3.21Å; Q61-Y68 PolarHBondContact O-N 2.95Å; Q61-Y70 HydrophobicContact CB-CE2 4.22Å |
| 62 | F | 97.1 | Very high | 96.5 | Very high | 88 Ų | 88 | 71.6 Ų | 71.6 | 39% | 0.386 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.8 | -179.8 | -176.4 | -108.7 | 0 | 0 | 0 | 110.6 | K25 H66 F67 | K25-F62 HydrophobicContact CB-CE2 3.93Å; K25-F62 HydrophobicContact CB-CZ 4.2Å; K25-F62 HydrophobicContact CD-CE2 3.94Å; K25-F62 HydrophobicContact CD-CZ 3.57Å; K25-F62 HydrophobicContact CG-CE2 4.48Å; K25-F62 HydrophobicContact CG-CZ 4.5Å; F62-H66 WeakPolarHBondContact CA-O 3.5Å; F62-H66 WeakPolarHBondContact CD2-O 3.45Å; F62-F67 HydrophobicContact CB-CD1 4.45Å; F62-F67 AromaticContact CD2-CD1 3.44Å; F62-F67 HydrophobicContact CD2-CD1 3.44Å; F62-F67 VanDerWaalsContact CD2-CD1 3.44Å; F62-F67 HydrophobicContact CD2-CD2 4.35Å; F62-F67 AromaticContact CD2-CE1 3.48Å; F62-F67 HydrophobicContact CD2-CE1 3.48Å; F62-F67 VanDerWaalsContact CD2-CE1 3.48Å; F62-F67 HydrophobicContact CD2-CE2 4.39Å; F62-F67 AromaticContact CD2-CG 3.9Å; F62-F67 HydrophobicContact CD2-CG 3.9Å; F62-F67 AromaticContact CD2-CZ 3.98Å; F62-F67 HydrophobicContact CD2-CZ 3.98Å; F62-F67 HydrophobicContact CE2-CD1 4.08Å; F62-F67 HydrophobicContact CE2-CD2 4.28Å; F62-F67 AromaticContact CE2-CE1 3.84Å; F62-F67 HydrophobicContact CE2-CE1 3.84Å; F62-F67 HydrophobicContact CE2-CE2 4.06Å; F62-F67 HydrophobicContact CE2-CG 4.29Å; F62-F67 AromaticContact CE2-CZ 3.83Å; F62-F67 HydrophobicContact CE2-CZ 3.83Å; F62-F67 HydrophobicContact CG-CD1 4.3Å; F62-F67 HydrophobicContact CG-CE1 4.24Å |
| 63 | A | 96.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 77.8 Ų | 77.8 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.4 | 180 | 0 | 0 | 0 | 0 | 0 | 110.3 | R65 H66 Y68 | A63-R65 PolarHBondContact O-N 3.06Å; A63-R65 VanDerWaalsContact O-N 3.11Å; A63-H66 PolarHBondContact N-O 3.06Å; A63-H66 WeakPolarHBondContact O-CA 3.49Å; A63-H66 WeakPolarHBondContact O-CB 3.17Å; A63-H66 PolarHBondContact O-N 3.32Å; A63-H66 VanDerWaalsContact O-O 3.1Å; A63-Y68 HydrophobicContact CB-CE2 4.25Å |
| 64 | W | 96.1 | Very high | 96.4 | Very high | 237 Ų | 237 | 78.9 Ų | 78.9 | 90% | 0.898 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 35 | 173.3 | -57.3 | 86.6 | 0 | 0 | 0 | 115.2 | H66 | W64-H66 PolarHBondContact O-CD2 2.81Å; W64-H66 VanDerWaalsContact O-CD2 3.28Å; W64-H66 PolarHBondContact O-N 2.97Å |
| 65 | R | 96.2 | Very high | 96.4 | Very high | 148 Ų | 148 | 74.4 Ų | 74.4 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 19.3 | -172.3 | -53.7 | 174.5 | 58.3 | -169 | -0.9 | 114.6 | K25 A63 | K25-R65 HydrophobicContact CB-CB 4.48Å; K25-R65 WeakPolarHBondContact CB-O 3.34Å; K25-R65 PolarHBondContact N-O 3.45Å; A63-R65 PolarHBondContact O-N 3.06Å; A63-R65 VanDerWaalsContact O-N 3.11Å |
| 66 | H | 96.6 | Very high | 96.4 | Very high | 64 Ų | 64 | 72.1 Ų | 72.1 | 30% | 0.296 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.4 | 171.7 | -72.4 | -98.3 | 0 | 0 | 0 | 110.4 | A23 F62 A63 W64 Y68 | A23-H66 CarbonylContact O-C 3.56Å; A23-H66 WeakPolarHBondContact O-CA 3.34Å; F62-H66 WeakPolarHBondContact CA-O 3.5Å; F62-H66 WeakPolarHBondContact CD2-O 3.45Å; A63-H66 PolarHBondContact N-O 3.06Å; A63-H66 WeakPolarHBondContact O-CA 3.49Å; A63-H66 WeakPolarHBondContact O-CB 3.17Å; A63-H66 PolarHBondContact O-N 3.32Å; A63-H66 VanDerWaalsContact O-O 3.1Å; W64-H66 PolarHBondContact O-CD2 2.81Å; W64-H66 VanDerWaalsContact O-CD2 3.28Å; W64-H66 PolarHBondContact O-N 2.97Å; H66-Y68 HydrophobicContact CB-CD2 4.41Å; H66-Y68 HydrophobicContact CB-CE2 3.63Å |
| 67 | F | 97.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 76.5 Ų | 76.5 | 11% | 0.114 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.6 | 166.4 | -62.8 | -78.5 | 0 | 0 | 0 | 108.9 | V22 A23 K25 M46 E60 F62 W69 | V22-F67 CarbonylContact C-O 3.58Å; V22-F67 VanDerWaalsContact CA-O 3.24Å; V22-F67 WeakPolarHBondContact CA-O 3.24Å; V22-F67 WeakPolarHBondContact CG1-O 3.37Å; A23-F67 PolarHBondContact N-O 3.04Å; A23-F67 PolarHBondContact O-N 3.12Å; K25-F67 HydrophobicContact CB-CD2 4.24Å; K25-F67 HydrophobicContact CB-CE2 3.53Å; K25-F67 HydrophobicContact CB-CZ 4.17Å; K25-F67 HydrophobicContact CD-CE2 4.32Å; K25-F67 HydrophobicContact CD-CZ 4.11Å; K25-F67 HydrophobicContact CG-CE2 3.74Å; K25-F67 HydrophobicContact CG-CZ 4.01Å; M46-F67 HydrophobicContact CE-CE2 3.57Å; M46-F67 HydrophobicContact CE-CZ 4.09Å; M46-F67 HydrophobicContact CG-CD2 4.38Å; M46-F67 HydrophobicContact CG-CE2 4.25Å; M46-F67 HydrophobicContact SD-CE2 4.16Å; E60-F67 HydrophobicContact CG-CD1 4.3Å; F62-F67 HydrophobicContact CB-CD1 4.45Å; F62-F67 AromaticContact CD2-CD1 3.44Å; F62-F67 HydrophobicContact CD2-CD1 3.44Å; F62-F67 VanDerWaalsContact CD2-CD1 3.44Å; F62-F67 HydrophobicContact CD2-CD2 4.35Å; F62-F67 AromaticContact CD2-CE1 3.48Å; F62-F67 HydrophobicContact CD2-CE1 3.48Å; F62-F67 VanDerWaalsContact CD2-CE1 3.48Å; F62-F67 HydrophobicContact CD2-CE2 4.39Å; F62-F67 AromaticContact CD2-CG 3.9Å; F62-F67 HydrophobicContact CD2-CG 3.9Å; F62-F67 AromaticContact CD2-CZ 3.98Å; F62-F67 HydrophobicContact CD2-CZ 3.98Å; F62-F67 HydrophobicContact CE2-CD1 4.08Å; F62-F67 HydrophobicContact CE2-CD2 4.28Å; F62-F67 AromaticContact CE2-CE1 3.84Å; F62-F67 HydrophobicContact CE2-CE1 3.84Å; F62-F67 HydrophobicContact CE2-CE2 4.06Å; F62-F67 HydrophobicContact CE2-CG 4.29Å; F62-F67 AromaticContact CE2-CZ 3.83Å; F62-F67 HydrophobicContact CE2-CZ 3.83Å; F62-F67 HydrophobicContact CG-CD1 4.3Å; F62-F67 HydrophobicContact CG-CE1 4.24Å; F67-W69 HydrophobicContact CB-CD2 4.08Å; F67-W69 HydrophobicContact CB-CE3 4.09Å; F67-W69 HydrophobicContact CB-CH2 3.39Å; F67-W69 HydrophobicContact CB-CZ2 3.34Å; F67-W69 HydrophobicContact CB-CZ3 3.78Å; F67-W69 AromaticContact CD1-CZ2 3.88Å; F67-W69 HydrophobicContact CD1-CZ2 3.88Å; F67-W69 AromaticContact CD2-CH2 3.96Å; F67-W69 HydrophobicContact CD2-CH2 3.96Å; F67-W69 HydrophobicContact CD2-CZ2 4.08Å; F67-W69 AromaticContact CG-CH2 3.73Å; F67-W69 HydrophobicContact CG-CH2 3.73Å; F67-W69 AromaticContact CG-CZ2 3.51Å; F67-W69 HydrophobicContact CG-CZ2 3.51Å |
| 68 | Y | 97.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 77 Ų | 77 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.5 | 172.2 | -59.7 | -91.6 | 0 | 0 | 0 | 107 | V22 E60 Q61 A63 H66 | V22-Y68 HydrophobicContact CB-CD1 4.5Å; V22-Y68 HydrophobicContact CG1-CD1 4.07Å; V22-Y68 HydrophobicContact CG1-CE1 3.91Å; V22-Y68 HydrophobicContact CG2-CD1 3.68Å; V22-Y68 HydrophobicContact CG2-CE1 4.06Å; E60-Y68 CarbonylContact C-O 3.57Å; E60-Y68 WeakPolarHBondContact CA-O 3.47Å; Q61-Y68 PolarHBondContact N-O 3.21Å; Q61-Y68 PolarHBondContact O-N 2.95Å; A63-Y68 HydrophobicContact CB-CE2 4.25Å; H66-Y68 HydrophobicContact CB-CD2 4.41Å; H66-Y68 HydrophobicContact CB-CE2 3.63Å |
| 69 | W | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.8 | -177.9 | -71.1 | -62.8 | 0 | 0 | 0 | 110.3 | V20 M21 A23 V45 M46 M49 V58 K59 E60 F67 | V20-W69 VanDerWaalsContact CA-O 3.3Å; V20-W69 WeakPolarHBondContact CA-O 3.28Å; V20-W69 WeakPolarHBondContact CG1-O 3.45Å; M21-W69 HydrophobicContact CB-CE3 4.3Å; M21-W69 HydrophobicContact CG-CE3 4.39Å; M21-W69 PolarHBondContact N-O 3.33Å; M21-W69 PolarHBondContact O-N 3.41Å; A23-W69 HydrophobicContact CB-CH2 3.84Å; A23-W69 HydrophobicContact CB-CZ3 3.49Å; A23-W69 VanDerWaalsContact CB-CZ3 3.49Å; V45-W69 HydrophobicContact CG1-CZ3 4.03Å; M46-W69 HydrophobicContact CG-CH2 4.45Å; M49-W69 HydrophobicContact CB-CD2 3.62Å; M49-W69 HydrophobicContact CB-CE3 3.97Å; M49-W69 HydrophobicContact CB-CG 4.21Å; M49-W69 HydrophobicContact CB-CH2 3.77Å; M49-W69 HydrophobicContact CB-CZ2 3.43Å; M49-W69 VanDerWaalsContact CB-CZ2 3.43Å; M49-W69 HydrophobicContact CB-CZ3 4.02Å; M49-W69 HydrophobicContact CG-CD2 3.7Å; M49-W69 HydrophobicContact CG-CE3 3.6Å; M49-W69 HydrophobicContact CG-CG 4.33Å; M49-W69 HydrophobicContact CG-CH2 3.97Å; M49-W69 HydrophobicContact CG-CZ2 4.09Å; M49-W69 HydrophobicContact CG-CZ3 3.72Å; M49-W69 HydrophobicContact SD-CD2 4.42Å; M49-W69 HydrophobicContact SD-CE3 4.48Å; V58-W69 HydrophobicContact CG1-CB 3.48Å; V58-W69 VanDerWaalsContact CG1-CB 3.48Å; V58-W69 HydrophobicContact CG1-CG 3.81Å; K59-W69 CarbonylContact O-C 3.58Å; K59-W69 WeakPolarHBondContact O-CA 3.21Å; E60-W69 PolarHBondContact OE2-NE1 3.06Å; F67-W69 HydrophobicContact CB-CD2 4.08Å; F67-W69 HydrophobicContact CB-CE3 4.09Å; F67-W69 HydrophobicContact CB-CH2 3.39Å; F67-W69 HydrophobicContact CB-CZ2 3.34Å; F67-W69 HydrophobicContact CB-CZ3 3.78Å; F67-W69 AromaticContact CD1-CZ2 3.88Å; F67-W69 HydrophobicContact CD1-CZ2 3.88Å; F67-W69 AromaticContact CD2-CH2 3.96Å; F67-W69 HydrophobicContact CD2-CH2 3.96Å; F67-W69 HydrophobicContact CD2-CZ2 4.08Å; F67-W69 AromaticContact CG-CH2 3.73Å; F67-W69 HydrophobicContact CG-CH2 3.73Å; F67-W69 AromaticContact CG-CZ2 3.51Å; F67-W69 HydrophobicContact CG-CZ2 3.51Å |
| 70 | Y | 96.4 | Very high | 96 | Very high | 108 Ų | 108 | 72.6 Ų | 72.6 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.9 | 177.5 | -56.7 | -87.9 | 0 | 0 | 0 | 108.9 | V20 V58 K59 Q61 | V20-Y70 HydrophobicContact CG1-CD1 4.47Å; V20-Y70 HydrophobicContact CG1-CE1 4.43Å; V20-Y70 HydrophobicContact CG2-CD1 4.03Å; V20-Y70 HydrophobicContact CG2-CE1 4.43Å; V58-Y70 CarbonylContact C-O 3.29Å; V58-Y70 WeakPolarHBondContact CA-O 3.36Å; K59-Y70 PolarHBondContact N-O 2.99Å; K59-Y70 PolarHBondContact O-N 3.13Å; Q61-Y70 HydrophobicContact CB-CE2 4.22Å |
| 71 | L | 95.8 | Very high | 95.9 | Very high | 25 Ų | 25 | 75.6 Ų | 75.6 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 131.4 | 177.8 | -169.9 | 63.6 | 0 | 0 | 0 | 110.2 | L15 F16 G19 V58 I76 L79 P91 | L15-L71 HydrophobicContact CD2-CD1 4.03Å; L15-L71 HydrophobicContact CG-CD1 4.25Å; F16-L71 HydrophobicContact CD2-CD2 4.39Å; G19-L71 WeakPolarHBondContact O-CB 3.15Å; G19-L71 PolarHBondContact O-N 2.74Å; G19-L71 VanDerWaalsContact O-N 3.09Å; V58-L71 HydrophobicContact CG2-CD1 4.08Å; L71-I76 HydrophobicContact CD2-CG1 3.6Å; L71-I76 HydrophobicContact CG-CG1 3.85Å; L71-L79 HydrophobicContact CD1-CD1 3.64Å; L71-L79 HydrophobicContact CD2-CD1 4.06Å; L71-P91 HydrophobicContact CD2-CG 4.07Å |
| 72 | T | 96.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 73.6 Ų | 73.6 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | trans | -91.4 | 165.3 | 176.7 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | G56 Y57 K59 E74 G75 I76 | G56-T72 PolarHBondContact O-OG1 2.96Å; G56-T72 VanDerWaalsContact O-OG1 3.06Å; Y57-T72 WeakPolarHBondContact CA-OG1 3.33Å; Y57-T72 PolarHBondContact O-N 2.95Å; Y57-T72 PolarHBondContact O-OG1 3.05Å; K59-T72 HydrophobicContact CB-CG2 4.38Å; T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 2.95Å; T72-G75 WeakPolarHBondContact O-CA 3.49Å; T72-G75 PolarHBondContact O-N 3.46Å; T72-G75 PolarHBondContact OG1-N 2.86Å; T72-I76 WeakPolarHBondContact O-CG1 3.34Å; T72-I76 PolarHBondContact O-N 3.06Å | ||
| 73 | N | 94.9 | Very high | 95.7 | Very high | 132 Ų | 132 | 70.8 Ų | 70.8 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.4 | -38.6 | 178.9 | -65.3 | -30.3 | 0 | 0 | 0 | 112.7 | I76 Q77 | N73-I76 WeakPolarHBondContact O-CB 3.4Å; N73-I76 PolarHBondContact O-N 2.86Å; N73-Q77 PolarHBondContact O-N 3.21Å |
| 74 | E | 95.4 | Very high | 95.5 | Very high | 121 Ų | 121 | 77.3 Ų | 77.3 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 174.9 | -63.8 | 175.8 | -176.3 | 0 | 0 | 111.4 | Y57 T72 I76 Q77 Y78 | Y57-E74 HydrophobicContact CD1-CB 4.33Å; T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 2.95Å; E74-I76 VanDerWaalsContact C-N 3.29Å; E74-I76 PolarHBondContact O-N 2.78Å; E74-Q77 PolarHBondContact O-N 3.14Å; E74-Y78 PolarHBondContact O-N 3.49Å |
| 75 | G | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -33.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y57 T72 Y78 L79 | Y57-G75 WeakPolarHBondContact O-CA 3.46Å; T72-G75 WeakPolarHBondContact O-CA 3.49Å; T72-G75 PolarHBondContact O-N 3.46Å; T72-G75 PolarHBondContact OG1-N 2.86Å; G75-Y78 PolarHBondContact O-N 3.05Å; G75-L79 WeakPolarHBondContact O-CB 3.47Å; G75-L79 VanDerWaalsContact O-CG 3.3Å; G75-L79 WeakPolarHBondContact O-CG 3.17Å; G75-L79 PolarHBondContact O-N 3.38Å |
| 76 | I | 94.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 173.8 | -66.2 | 172.6 | 0 | 0 | 0 | 110.3 | F16 L71 T72 N73 E74 R80 P91 | F16-I76 HydrophobicContact CE2-CG2 3.92Å; L71-I76 HydrophobicContact CD2-CG1 3.6Å; L71-I76 HydrophobicContact CG-CG1 3.85Å; T72-I76 WeakPolarHBondContact O-CG1 3.34Å; T72-I76 PolarHBondContact O-N 3.06Å; N73-I76 WeakPolarHBondContact O-CB 3.4Å; N73-I76 PolarHBondContact O-N 2.86Å; E74-I76 VanDerWaalsContact C-N 3.29Å; E74-I76 PolarHBondContact O-N 2.78Å; I76-R80 VanDerWaalsContact O-CB 3.27Å; I76-R80 WeakPolarHBondContact O-CB 3.43Å; I76-R80 PolarHBondContact O-N 3.5Å; I76-P91 HydrophobicContact CD1-CG 4.07Å; I76-P91 HydrophobicContact CG1-CG 4.03Å |
| 77 | Q | 94 | Very high | 94.6 | Very high | 127 Ų | 127 | 66.6 Ų | 66.6 | 59% | 0.593 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.2 | -49 | 178 | -66.6 | 177.4 | -14.2 | 0 | 0 | 111 | N73 E74 L79 R80 D81 | N73-Q77 PolarHBondContact O-N 3.21Å; E74-Q77 PolarHBondContact O-N 3.14Å; Q77-L79 PolarHBondContact O-N 3.42Å; Q77-R80 WeakPolarHBondContact O-CB 3.33Å; Q77-R80 PolarHBondContact O-N 3.31Å; Q77-D81 PolarHBondContact O-N 3.3Å |
| 78 | Y | 95.8 | Very high | 94 | Very high | 72 Ų | 72 | 73.6 Ų | 73.6 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.2 | -47.8 | 178.5 | 173.7 | -100.3 | 0 | 0 | 0 | 112.8 | Y12 L52 Y57 E74 G75 R80 D81 F82 | Y12-Y78 HydrophobicContact CE2-CE1 4.47Å; L52-Y78 HydrophobicContact CD2-CD1 4.22Å; L52-Y78 HydrophobicContact CD2-CE1 3.85Å; Y57-Y78 HydrophobicContact CD1-CG 4.42Å; Y57-Y78 AromaticContact CD2-CD1 3.7Å; Y57-Y78 HydrophobicContact CD2-CD1 3.7Å; Y57-Y78 HydrophobicContact CD2-CD2 4.4Å; Y57-Y78 HydrophobicContact CD2-CE1 4.14Å; Y57-Y78 AromaticContact CD2-CG 3.85Å; Y57-Y78 HydrophobicContact CD2-CG 3.85Å; Y57-Y78 HydrophobicContact CE1-CD2 4.42Å; Y57-Y78 HydrophobicContact CE1-CG 4.14Å; Y57-Y78 AromaticContact CE2-CD1 3.72Å; Y57-Y78 HydrophobicContact CE2-CD1 3.72Å; Y57-Y78 AromaticContact CE2-CD2 3.61Å; Y57-Y78 HydrophobicContact CE2-CD2 3.61Å; Y57-Y78 HydrophobicContact CE2-CE1 4.03Å; Y57-Y78 AromaticContact CE2-CE2 3.92Å; Y57-Y78 HydrophobicContact CE2-CE2 3.92Å; Y57-Y78 AromaticContact CE2-CG 3.5Å; Y57-Y78 HydrophobicContact CE2-CG 3.5Å; Y57-Y78 VanDerWaalsContact CE2-CG 3.5Å; Y57-Y78 HydrophobicContact CG-CD1 4.3Å; Y57-Y78 HydrophobicContact CG-CG 4.31Å; Y57-Y78 AromaticContact CZ-CD2 3.62Å; Y57-Y78 AromaticContact CZ-CG 3.66Å; E74-Y78 PolarHBondContact O-N 3.49Å; G75-Y78 PolarHBondContact O-N 3.05Å; Y78-R80 VanDerWaalsContact C-N 3.32Å; Y78-R80 PolarHBondContact O-N 3.08Å; Y78-D81 PolarHBondContact O-N 3.01Å; Y78-F82 VanDerWaalsContact O-CB 3.3Å; Y78-F82 WeakPolarHBondContact O-CB 3.17Å; Y78-F82 PolarHBondContact O-N 3.3Å |
| 79 | L | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.2 | -33.3 | -179.6 | -70.3 | -177.8 | 0 | 0 | 0 | 112.2 | Y12 L15 F16 L71 G75 Q77 L83 | Y12-L79 HydrophobicContact CD1-CD2 4.22Å; Y12-L79 HydrophobicContact CD2-CD2 3.76Å; Y12-L79 HydrophobicContact CE2-CD2 4.31Å; Y12-L79 HydrophobicContact CG-CD2 3.71Å; L15-L79 HydrophobicContact CB-CD1 4.49Å; L15-L79 HydrophobicContact CD2-CD1 3.83Å; L15-L79 HydrophobicContact CG-CD1 4.12Å; F16-L79 HydrophobicContact CB-CD1 4.28Å; F16-L79 HydrophobicContact CD2-CB 3.83Å; F16-L79 HydrophobicContact CD2-CD1 4.36Å; F16-L79 HydrophobicContact CE2-CB 4.5Å; L71-L79 HydrophobicContact CD1-CD1 3.64Å; L71-L79 HydrophobicContact CD2-CD1 4.06Å; G75-L79 WeakPolarHBondContact O-CB 3.47Å; G75-L79 VanDerWaalsContact O-CG 3.3Å; G75-L79 WeakPolarHBondContact O-CG 3.17Å; G75-L79 PolarHBondContact O-N 3.38Å; Q77-L79 PolarHBondContact O-N 3.42Å; L79-L83 VanDerWaalsContact O-CB 3.23Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.28Å |
| 80 | R | 94.2 | Very high | 92.8 | Very high | 51 Ų | 51 | 76 Ų | 76 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 175.2 | -177.8 | -177.5 | -69.4 | 175.4 | -8.9 | 111.4 | F16 I76 Q77 Y78 H84 L85 P87 I89 | F16-R80 HydrophobicContact CE2-CB 4.43Å; I76-R80 VanDerWaalsContact O-CB 3.27Å; I76-R80 WeakPolarHBondContact O-CB 3.43Å; I76-R80 PolarHBondContact O-N 3.5Å; Q77-R80 WeakPolarHBondContact O-CB 3.33Å; Q77-R80 PolarHBondContact O-N 3.31Å; Y78-R80 VanDerWaalsContact C-N 3.32Å; Y78-R80 PolarHBondContact O-N 3.08Å; R80-H84 WeakPolarHBondContact O-CA 3.43Å; R80-H84 PolarHBondContact O-N 2.78Å; R80-L85 HydrophobicContact CG-CB 4.31Å; R80-L85 WeakPolarHBondContact CG-O 3.41Å; R80-L85 PolarHBondContact O-N 3.28Å; R80-P87 VanDerWaalsContact CZ-CA 3.5Å; R80-P87 VanDerWaalsContact CZ-O 3.29Å; R80-P87 PolarHBondContact NH1-O 2.76Å; R80-P87 PolarHBondContact NH2-O 2.76Å; R80-I89 PolarHBondContact NH2-O 2.78Å; R80-I89 VanDerWaalsContact NH2-O 3.12Å |
| 81 | D | 95 | Very high | 92.5 | Very high | 113 Ų | 113 | 70.9 Ų | 70.9 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.3 | -39.6 | 178.6 | -65.8 | -18.8 | 0 | 0 | 0 | 111.4 | Q77 Y78 H84 | Q77-D81 PolarHBondContact O-N 3.3Å; Y78-D81 PolarHBondContact O-N 3.01Å; D81-H84 PolarHBondContact O-CE1 3.03Å; D81-H84 VanDerWaalsContact O-CE1 3.3Å; D81-H84 PolarHBondContact O-N 3.11Å; D81-H84 PolarHBondContact O-ND1 3.25Å |
| 82 | F | 94.4 | Very high | 92.2 | Very high | 64 Ų | 64 | 71.8 Ų | 71.8 | 28% | 0.281 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 179.3 | -175.6 | -87.3 | 0 | 0 | 0 | 113.3 | I9 Y12 Y78 | I9-F82 HydrophobicContact CG1-CE1 4.25Å; Y12-F82 AromaticContact CD2-CD1 3.53Å; Y12-F82 HydrophobicContact CD2-CD1 3.53Å; Y12-F82 AromaticContact CD2-CE1 3.48Å; Y12-F82 HydrophobicContact CD2-CE1 3.48Å; Y12-F82 VanDerWaalsContact CD2-CE1 3.48Å; Y12-F82 HydrophobicContact CD2-CG 4.26Å; Y12-F82 HydrophobicContact CD2-CZ 4.19Å; Y12-F82 AromaticContact CE2-CD1 3.95Å; Y12-F82 HydrophobicContact CE2-CD1 3.95Å; Y12-F82 AromaticContact CE2-CE1 3.74Å; Y12-F82 HydrophobicContact CE2-CE1 3.74Å; Y12-F82 HydrophobicContact CE2-CE2 4.38Å; Y12-F82 HydrophobicContact CE2-CG 4.36Å; Y12-F82 AromaticContact CE2-CZ 3.97Å; Y12-F82 HydrophobicContact CE2-CZ 3.97Å; Y78-F82 VanDerWaalsContact O-CB 3.3Å; Y78-F82 WeakPolarHBondContact O-CB 3.17Å; Y78-F82 PolarHBondContact O-N 3.3Å |
| 83 | L | 94.6 | Very high | 91.7 | Very high | 29 Ų | 29 | 74.2 Ų | 74.2 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -89 | -5.2 | 179.7 | -64.9 | 169.1 | 0 | 0 | 0 | 112.6 | I9 E13 F16 L79 L85 | I9-L83 HydrophobicContact CG2-CD2 4.11Å; E13-L83 HydrophobicContact CG-CD2 4.05Å; F16-L83 HydrophobicContact CB-CD1 4.21Å; L79-L83 VanDerWaalsContact O-CB 3.23Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.28Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 HydrophobicContact CB-CD1 3.67Å; L83-L85 HydrophobicContact CB-CG 3.76Å; L83-L85 HydrophobicContact CD1-CD1 3.82Å; L83-L85 HydrophobicContact CG-CD1 4.4Å; L83-L85 PolarHBondContact O-N 3.37Å |
| 84 | H | 92.9 | Very high | 91.3 | Very high | 167 Ų | 167 | 73.7 Ų | 73.7 | 77% | 0.773 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 45.3 | -176.3 | -53.2 | -58.4 | 0 | 0 | 0 | 112.9 | R80 D81 | R80-H84 WeakPolarHBondContact O-CA 3.43Å; R80-H84 PolarHBondContact O-N 2.78Å; D81-H84 PolarHBondContact O-CE1 3.03Å; D81-H84 VanDerWaalsContact O-CE1 3.3Å; D81-H84 PolarHBondContact O-N 3.11Å; D81-H84 PolarHBondContact O-ND1 3.25Å |
| 85 | L | 92.2 | Very high | 90.7 | Very high | 55 Ų | 55 | 76.7 Ų | 76.7 | 29% | 0.288 | 39% | 0.388 | S | S | . | . | trans | -91.1 | 144.4 | 179.6 | -64.8 | 165.5 | 0 | 0 | 0 | 110.5 | F16 R80 L83 I89 | F16-L85 HydrophobicContact CD1-CD1 3.6Å; F16-L85 HydrophobicContact CE1-CD1 3.59Å; F16-L85 HydrophobicContact CG-CD1 4.28Å; F16-L85 HydrophobicContact CZ-CD1 4.26Å; R80-L85 HydrophobicContact CG-CB 4.31Å; R80-L85 WeakPolarHBondContact CG-O 3.41Å; R80-L85 PolarHBondContact O-N 3.28Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 HydrophobicContact CB-CD1 3.67Å; L83-L85 HydrophobicContact CB-CG 3.76Å; L83-L85 HydrophobicContact CD1-CD1 3.82Å; L83-L85 HydrophobicContact CG-CD1 4.4Å; L83-L85 PolarHBondContact O-N 3.37Å; L85-I89 HydrophobicContact CD2-CD1 4.11Å | ||
| 86 | P | 91.4 | Very high | 89.7 | Confident | 69 Ų | 69 | 88.1 Ų | 88.1 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | trans | -64 | 153 | 174.5 | 24.8 | -31.8 | 0 | 0 | 0 | 111.6 | E88 I89 | P86-E88 PolarHBondContact O-N 2.88Å; P86-E88 VanDerWaalsContact O-N 3.08Å; P86-I89 HydrophobicContact CG-CD1 3.82Å; P86-I89 HydrophobicContact CG-CG1 4.03Å; P86-I89 PolarHBondContact O-N 2.76Å | ||
| 87 | P | 85.4 | Confident | 88.6 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 65% | 0.649 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.2 | -174.8 | 27.3 | -35.5 | 0 | 0 | 0 | 114.6 | R80 | R80-P87 VanDerWaalsContact CZ-CA 3.5Å; R80-P87 VanDerWaalsContact CZ-O 3.29Å; R80-P87 PolarHBondContact NH1-O 2.76Å; R80-P87 PolarHBondContact NH2-O 2.76Å |
| 88 | E | 85.7 | Confident | 87.3 | Confident | 173 Ų | 173 | 96.3 Ų | 96.3 | 81% | 0.808 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -25.8 | 177.7 | -168.7 | 175.3 | -178.6 | 0 | 0 | 113.1 | P86 V90 | P86-E88 PolarHBondContact O-N 2.88Å; P86-E88 VanDerWaalsContact O-N 3.08Å; E88-V90 WeakPolarHBondContact O-CG2 3.43Å; E88-V90 PolarHBondContact O-N 2.97Å |
| 89 | I | 84.4 | Confident | 86.1 | Confident | 78 Ų | 78 | 102.2 Ų | 102.2 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | trans | -79.3 | 123.4 | -179.8 | -53.3 | 174.3 | 0 | 0 | 0 | 108.7 | F16 R80 L85 P86 | F16-I89 HydrophobicContact CE1-CB 4.26Å; F16-I89 HydrophobicContact CE1-CG2 3.78Å; F16-I89 WeakPolarHBondContact CZ-O 3.46Å; R80-I89 PolarHBondContact NH2-O 2.78Å; R80-I89 VanDerWaalsContact NH2-O 3.12Å; L85-I89 HydrophobicContact CD2-CD1 4.11Å; P86-I89 HydrophobicContact CG-CD1 3.82Å; P86-I89 HydrophobicContact CG-CG1 4.03Å; P86-I89 PolarHBondContact O-N 2.76Å | ||
| 90 | V | 85.3 | Confident | 84.7 | Confident | 49 Ų | 49 | 107.4 Ų | 107.4 | 30% | 0.297 | 53% | 0.534 | S | S | . | . | trans | -121.5 | 139.6 | -177.7 | -170.6 | 0 | 0 | 0 | 0 | 109 | E88 L94 | E88-V90 WeakPolarHBondContact O-CG2 3.43Å; E88-V90 PolarHBondContact O-N 2.97Å; V90-L94 HydrophobicContact CG1-CB 3.49Å; V90-L94 VanDerWaalsContact CG1-CB 3.49Å; V90-L94 HydrophobicContact CG1-CD2 3.42Å; V90-L94 VanDerWaalsContact CG1-CD2 3.42Å; V90-L94 HydrophobicContact CG1-CG 3.79Å | ||
| 91 | P | 89.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 113.7 Ų | 113.7 | 1% | 0.006 | 57% | 0.565 | C | S | . | * | trans | -52.7 | 150.9 | 172.6 | -25.7 | 32.8 | 0 | 0 | 0 | 113.4 | F16 L71 I76 T93 L94 R95 | F16-P91 HydrophobicContact CD2-CG 4.29Å; F16-P91 HydrophobicContact CE2-CG 4.23Å; F16-P91 VanDerWaalsContact O-CA 3.25Å; F16-P91 WeakPolarHBondContact O-CA 3.45Å; F16-P91 VanDerWaalsContact O-CB 3.24Å; F16-P91 WeakPolarHBondContact O-CB 3.46Å; F16-P91 WeakPolarHBondContact O-CG 3.45Å; L71-P91 HydrophobicContact CD2-CG 4.07Å; I76-P91 HydrophobicContact CD1-CG 4.07Å; I76-P91 HydrophobicContact CG1-CG 4.03Å; P91-T93 PolarHBondContact O-N 3.06Å; P91-T93 VanDerWaalsContact O-N 3.12Å; P91-L94 PolarHBondContact O-N 3.28Å; P91-R95 PolarHBondContact O-N 2.97Å | ||
| 92 | A | 89 | Confident | 81.5 | Confident | 45 Ų | 45 | 112.7 Ų | 112.7 | 37% | 0.372 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.4 | -32.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K17 L94 R95 | K17-A92 VanDerWaalsContact O-CB 3.3Å; K17-A92 WeakPolarHBondContact O-CB 3.33Å; K17-A92 PolarHBondContact O-N 3.19Å; A92-L94 PolarHBondContact O-N 3.47Å; A92-R95 PolarHBondContact O-N 3.34Å |
| 93 | T | 86.1 | Confident | 79.8 | Confident | 91 Ų | 91 | 114.3 Ų | 114.3 | 56% | 0.558 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -28.5 | 177.1 | 48.7 | 0 | 0 | 0 | 0 | 114.8 | E18 V20 P91 | E18-T93 WeakPolarHBondContact O-CG2 3.45Å; V20-T93 HydrophobicContact CG2-CG2 3.83Å; P91-T93 PolarHBondContact O-N 3.06Å; P91-T93 VanDerWaalsContact O-N 3.12Å |
| 94 | L | 85.9 | Confident | 78.4 | Confident | 121 Ų | 121 | 123.3 Ų | 123.3 | 63% | 0.634 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -11.5 | -179.6 | -170.1 | 67.2 | 0 | 0 | 0 | 112.1 | V90 P91 A92 R96 | V90-L94 HydrophobicContact CG1-CB 3.49Å; V90-L94 VanDerWaalsContact CG1-CB 3.49Å; V90-L94 HydrophobicContact CG1-CD2 3.42Å; V90-L94 VanDerWaalsContact CG1-CD2 3.42Å; V90-L94 HydrophobicContact CG1-CG 3.79Å; P91-L94 PolarHBondContact O-N 3.28Å; A92-L94 PolarHBondContact O-N 3.47Å; L94-R96 PolarHBondContact O-N 3.44Å |
| 95 | R | 82.9 | Confident | 76.7 | Confident | 184 Ų | 184 | 121.1 Ų | 121.1 | 69% | 0.694 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -72.5 | 118.3 | 171.3 | -66.4 | -174.6 | 69.2 | 176.6 | 1.9 | 109.1 | P91 A92 Q97 | P91-R95 PolarHBondContact O-N 2.97Å; A92-R95 PolarHBondContact O-N 3.34Å; R95-Q97 PolarHBondContact O-N 3.33Å; R95-Q97 VanDerWaalsContact O-N 3.15Å |
| 96 | R | 76 | Confident | 75.2 | Confident | 240 Ų | 240 | 129.6 Ų | 129.6 | 91% | 0.906 | 65% | 0.649 | S | S | * | * | trans | -64.7 | 116 | 173.2 | -164.7 | 177.9 | -143.3 | -173.4 | 5.8 | 108.9 | L94 T98 | L94-R96 PolarHBondContact O-N 3.44Å; R96-T98 PolarHBondContact O-N 3.29Å | ||
| 97 | Q | 70.9 | Confident | 73.5 | Confident | 182 Ų | 182 | 132.2 Ų | 132.2 | 85% | 0.85 | 67% | 0.666 | S | S | * | * | trans | -66.2 | 121.4 | 169.2 | -78.1 | -171.7 | -16.4 | 0 | 0 | 109.1 | R95 R99 | R95-Q97 PolarHBondContact O-N 3.33Å; R95-Q97 VanDerWaalsContact O-N 3.15Å; Q97-R99 PolarHBondContact O-N 2.92Å | ||
| 98 | T | 67.4 | Low | 71.7 | Confident | 137 Ų | 137 | 137.2 Ų | 137.2 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | trans | -70 | 87.4 | 166 | -48 | 0 | 0 | 0 | 0 | 106.9 | R96 P100 | R96-T98 PolarHBondContact O-N 3.29Å; T98-P100 VanDerWaalsContact O-CD 3.32Å; T98-P100 WeakPolarHBondContact O-CD 3.3Å | ||
| 99 | R | 70.7 | Confident | 70 | Confident | 197 Ų | 197 | 132.4 Ų | 132.4 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | trans | -58.4 | 119.3 | 170.6 | 176.7 | 174.2 | 164.6 | 178.1 | -4.4 | 106.5 | Q97 E101 | Q97-R99 PolarHBondContact O-N 2.92Å; R99-E101 PolarHBondContact O-N 3.04Å | ||
| 100 | P | 65.6 | Low | 67.9 | Low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | trans | -58.6 | 120.5 | 169.3 | 24.1 | -30.3 | 0 | 0 | 0 | 105.9 | T98 T102 | T98-P100 VanDerWaalsContact O-CD 3.32Å; T98-P100 WeakPolarHBondContact O-CD 3.3Å; P100-T102 VanDerWaalsContact C-N 3.34Å; P100-T102 PolarHBondContact O-N 2.77Å | ||
| 101 | E | 63.4 | Low | 66.1 | Low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | trans | -53.4 | 107.1 | 174 | -166.1 | 173.8 | -173.5 | 0 | 0 | 105.7 | R99 A103 | R99-E101 PolarHBondContact O-N 3.04Å; E101-A103 PolarHBondContact O-N 2.87Å | ||
| 102 | T | 58.5 | Low | 64 | Low | 92 Ų | 92 | 147.7 Ų | 147.7 | 56% | 0.564 | 76% | 0.76 | S | S | * | * | trans | -62.1 | 111.2 | 177.1 | -17.3 | 0 | 0 | 0 | 0 | 103.1 | P100 R104 | P100-T102 VanDerWaalsContact C-N 3.34Å; P100-T102 PolarHBondContact O-N 2.77Å; T102-R104 PolarHBondContact O-N 3.45Å | ||
| 103 | A | 57.7 | Low | 61.6 | Low | 98 Ų | 98 | 155 Ų | 155 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -59.5 | 71.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109 | E101 P105 | E101-A103 PolarHBondContact O-N 2.87Å; A103-P105 VanDerWaalsContact O-CD 3.29Å; A103-P105 WeakPolarHBondContact O-CD 3.39Å | ||
| 104 | R | 65.1 | Low | 59.6 | Low | 217 Ų | 217 | 162.2 Ų | 162.2 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | trans | -75.6 | 112.1 | 155.7 | -76.9 | -171.5 | 177 | -160 | -1.1 | 103.5 | T102 R106 | T102-R104 PolarHBondContact O-N 3.45Å; R104-R106 VanDerWaalsContact C-N 3.34Å; R104-R106 PolarHBondContact O-N 3.03Å | ||
| 105 | P | 57.3 | Low | 57.3 | Low | 121 Ų | 121 | 162.3 Ų | 162.3 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -59.1 | 105.9 | 174.4 | 24.4 | -31.1 | 0 | 0 | 0 | 106.8 | A103 P107 | A103-P105 VanDerWaalsContact O-CD 3.29Å; A103-P105 WeakPolarHBondContact O-CD 3.39Å; P105-P107 WeakPolarHBondContact O-CD 3.38Å | ||
| 106 | R | 62.3 | Low | 55.9 | Low | 234 Ų | 234 | 158.1 Ų | 158.1 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 117.9 | 164.6 | -157.9 | 177.3 | -162.9 | 163.1 | 2.4 | 104.2 | R104 K108 | R104-R106 VanDerWaalsContact C-N 3.34Å; R104-R106 PolarHBondContact O-N 3.03Å; R106-K108 PolarHBondContact O-N 3.19Å |
| 107 | P | 54.7 | Low | 54.2 | Low | 123 Ų | 123 | 157.8 Ų | 157.8 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 116 | -180 | 21.8 | -29.7 | 0 | 0 | 0 | 107.7 | P105 G109 | P105-P107 WeakPolarHBondContact O-CD 3.38Å; P107-G109 PolarHBondContact O-N 2.97Å |
| 108 | K | 46.9 | Very low | 53.2 | Low | 205 Ų | 205 | 157 Ų | 157 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 121.4 | 178 | -154.9 | 173.4 | -175.8 | -178.7 | 0 | 106.3 | R106 M110 | R106-K108 PolarHBondContact O-N 3.19Å; K108-M110 PolarHBondContact O-N 2.88Å |
| 109 | G | 50.5 | Low | 51.9 | Low | 73 Ų | 73 | 156.7 Ų | 156.7 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 125.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P107 E111 | P107-G109 PolarHBondContact O-N 2.97Å; G109-E111 PolarHBondContact O-N 3.23Å |
| 110 | M | 41.1 | Very low | 50.9 | Low | 190 Ų | 190 | 158 Ų | 158 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | trans | -76.4 | 103.4 | 174.3 | -166.9 | 134.1 | 146.6 | 0 | 0 | 107.2 | K108 | K108-M110 PolarHBondContact O-N 2.88Š| ||
| 111 | E | 46.8 | Very low | 50 | Low | 198 Ų | 198 | 156.4 Ų | 156.4 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -76 | 115.5 | 166.6 | -162.3 | 177.3 | 172.5 | 0 | 0 | 107.3 | G109 | G109-E111 PolarHBondContact O-N 3.23Š| ||
| 112 | G | 44.5 | Very low | 49.3 | Very low | 61 Ų | 61 | 156 Ų | 156 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | trans | 166.2 | 94.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 113 | E | 39.7 | Very low | 49.1 | Very low | 199 Ų | 199 | 155.3 Ų | 155.3 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | 86.4 | 114.8 | 153.2 | -54.9 | -173 | 120.4 | 0 | 0 | 119.7 | ||||
| 114 | R | 43.8 | Very low | 49 | Very low | 242 Ų | 242 | 157.4 Ų | 157.4 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -68.9 | 156.8 | 178.5 | -68.3 | 171.8 | 163.9 | 176.1 | -3.3 | 111.9 | ||||
| 115 | P | 38 | Very low | 48.4 | Very low | 123 Ų | 123 | 157.8 Ų | 157.8 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | -137.5 | 140.8 | 91.1 | 31.1 | -15 | 0 | 0 | 0 | 113.4 | R117 | P115-R117 PolarHBondContact O-N 3.35Š| |||
| 116 | A | 53.2 | Low | 48.2 | Very low | 96 Ų | 96 | 155.8 Ų | 155.8 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -68.1 | 108.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 117 | R | 41.2 | Very low | 48 | Very low | 232 Ų | 232 | 148.9 Ų | 148.9 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | -151.5 | 111.7 | 153.3 | -73.8 | -159 | 177.5 | 155.7 | 1 | 111.6 | P115 | P115-R117 PolarHBondContact O-N 3.35Š| ||
| 118 | L | 49.8 | Very low | 47.8 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 26 | 107.4 | 143.3 | -73.8 | 73.4 | 0 | 0 | 0 | 117.1 | ||||
| 119 | N | 39 | Very low | 48.1 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -148.1 | 112.4 | 142.2 | -114.7 | -9.2 | 0 | 0 | 0 | 107.4 | ||||
| 120 | R | 50.5 | Low | 48.2 | Very low | 225 Ų | 225 | 159.2 Ų | 159.2 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | 73.4 | 94.8 | 84.9 | -174.9 | 177.1 | -65.4 | 173.2 | 2.7 | 109.4 | |||||
| 121 | G | 46.6 | Very low | 48.6 | Very low | 76 Ų | 76 | 154.5 Ų | 154.5 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 168.1 | -7.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 122 | E | 49 | Very low | 48.9 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -123.1 | 38.7 | -170.1 | -148.5 | -175.2 | 165.9 | 0 | 0 | 113.1 | ||
| 123 | A | 52.9 | Low | 49 | Very low | 76 Ų | 76 | 150.4 Ų | 150.4 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -128.3 | -18 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | T127 | A123-T127 PolarHBondContact O-OG1 3.46Š|
| 124 | D | 55.3 | Low | 49.2 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -87.5 | -22.3 | -174.8 | -124.7 | -80.5 | 0 | 0 | 0 | 113.7 | T127 | D124-T127 PolarHBondContact O-OG1 3.35Å |
| 125 | R | 53.4 | Low | 49.3 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -82.7 | -29.6 | -179.5 | -112.6 | -175.2 | -177.7 | 173.7 | 1.9 | 113.5 | ||
| 126 | D | 53.7 | Low | 49.9 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 42% | 0.422 | 75% | 0.751 | S | S | . | * | H | α-helix | trans | -81.6 | -24 | -175.7 | -89.8 | -63.2 | 0 | 0 | 0 | 113.5 | R130 | D126-R130 PolarHBondContact O-N 3.2Å |
| 127 | T | 58.4 | Low | 49.4 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 55% | 0.546 | 74% | 0.744 | S | S | . | * | H | α-helix | trans | -69.9 | -37.9 | 175.2 | 30.1 | 0 | 0 | 0 | 0 | 112.4 | A123 D124 R129 R130 S131 | A123-T127 PolarHBondContact O-OG1 3.46Å; D124-T127 PolarHBondContact O-OG1 3.35Å; T127-R129 VanDerWaalsContact C-N 3.32Å; T127-R129 PolarHBondContact O-N 2.77Å; T127-R130 PolarHBondContact O-N 3.36Å; T127-S131 PolarHBondContact O-N 3.36Å; T127-S131 PolarHBondContact O-OG 3.38Å |
| 128 | Y | 49.1 | Very low | 50 | Low | 198 Ų | 198 | 135.3 Ų | 135.3 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -69.8 | -29.3 | 178.6 | -138.6 | -89.1 | 0 | 0 | 0 | 113.1 | ||
| 129 | R | 54.3 | Low | 49.9 | Very low | 213 Ų | 213 | 136.3 Ų | 136.3 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -77.3 | -27.1 | 178.4 | -158 | -179.4 | -147.1 | 153.5 | 5.1 | 112.4 | T127 | T127-R129 VanDerWaalsContact C-N 3.32Å; T127-R129 PolarHBondContact O-N 2.77Å |
| 130 | R | 53 | Low | 50.4 | Low | 208 Ų | 208 | 140.3 Ų | 140.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -96.5 | -12.7 | -173.9 | -154.7 | 177.4 | -70 | 179.1 | -0 | 113.9 | D126 T127 | D126-R130 PolarHBondContact O-N 3.2Å; T127-R130 PolarHBondContact O-N 3.36Å |
| 131 | S | 49 | Very low | 50 | Low | 91 Ų | 91 | 133.7 Ų | 133.7 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.6 | 0.3 | -179.7 | 58.1 | 0 | 0 | 0 | 0 | 115.3 | T127 A133 | T127-S131 PolarHBondContact O-N 3.36Å; T127-S131 PolarHBondContact O-OG 3.38Å; S131-A133 PolarHBondContact O-N 3.11Å |
| 132 | A | 53.4 | Low | 50.2 | Low | 89 Ų | 89 | 139.6 Ų | 139.6 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -99.7 | 62.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 133 | A | 45.4 | Very low | 49.9 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | trans | 164.5 | 118.1 | 145.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S131 | S131-A133 PolarHBondContact O-N 3.11Š| ||
| 134 | P | 44.3 | Very low | 49.2 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -77.9 | 146.4 | 148.4 | 7.7 | 9.6 | 0 | 0 | 0 | 109.7 | ||||
| 135 | P | 45.4 | Very low | 48.5 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -77.1 | 131.7 | 174.4 | 32.4 | -30.3 | 0 | 0 | 0 | 109.6 | ||
| 136 | G | 51.6 | Low | 48.2 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 92.5 | 54.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 137 | A | 41.2 | Very low | 48.2 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -129 | 95.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | K139 | A137-K139 PolarHBondContact O-N 3.49Š| ||
| 138 | D | 53.8 | Low | 47.5 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -51.4 | 103.5 | 157.4 | -67 | -77.7 | 0 | 0 | 0 | 109.3 | ||||
| 139 | K | 47.9 | Very low | 47.8 | Very low | 186 Ų | 186 | 126 Ų | 126 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | trans | -116.3 | 84.1 | 168.3 | -103.8 | 170.5 | 176.1 | 171.9 | 0 | 108.8 | A137 A141 | A137-K139 PolarHBondContact O-N 3.49Å; K139-A141 PolarHBondContact O-N 3.04Å; K139-A141 VanDerWaalsContact O-N 3.13Å | ||
| 140 | K | 50.5 | Low | 47.6 | Very low | 214 Ų | 214 | 123.7 Ų | 123.7 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -48 | 112.1 | 145.2 | -76.8 | -177.5 | 174 | -176.7 | 0 | 107.2 | ||||
| 141 | A | 42.4 | Very low | 47.5 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -128.9 | 78.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | K139 A143 | K139-A141 PolarHBondContact O-N 3.04Å; K139-A141 VanDerWaalsContact O-N 3.13Å; A141-A143 PolarHBondContact O-N 2.74Å | ||
| 142 | E | 50.5 | Low | 47.6 | Very low | 200 Ų | 200 | 127.3 Ų | 127.3 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -57 | 109.6 | 149.1 | -177.7 | -175.2 | 146.7 | 0 | 0 | 107.7 | ||||
| 143 | A | 43.2 | Very low | 47.3 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | -150.8 | 108.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | A141 | A141-A143 PolarHBondContact O-N 2.74Š| ||
| 144 | G | 36.9 | Very low | 47.8 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -62.5 | 179 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 145 | A | 40.1 | Very low | 47.7 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 93% | 0.934 | 83% | 0.832 | S | S | * | * | S | Bend | cis | -133.5 | 125.3 | 9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 146 | G | 47.1 | Very low | 47.8 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | -174.2 | 10.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A148 | G146-A148 VanDerWaalsContact C-N 3.28Å; G146-A148 PolarHBondContact O-N 3.17Å; G146-A148 VanDerWaalsContact O-N 3.17Å | ||
| 147 | A | 53.9 | Low | 47.2 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | -89.2 | 55.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 148 | A | 45.1 | Very low | 47.5 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 69% | 0.686 | 84% | 0.837 | S | S | * | * | trans | -126.7 | 103.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G146 E150 | G146-A148 VanDerWaalsContact C-N 3.28Å; G146-A148 PolarHBondContact O-N 3.17Å; G146-A148 VanDerWaalsContact O-N 3.17Å; A148-E150 PolarHBondContact O-N 3.02Å | ||
| 149 | T | 54.9 | Low | 47.4 | Very low | 146 Ų | 146 | 146 Ų | 146 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | trans | -78.9 | 54.1 | -176.2 | -24.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 150 | E | 50.8 | Low | 47.3 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | trans | -139.3 | 89.7 | 175 | -73.8 | -164.1 | 159.2 | 0 | 0 | 112.1 | A148 | A148-E150 PolarHBondContact O-N 3.02Š| ||
| 151 | F | 49.7 | Very low | 47 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -88.4 | 102.7 | 161.8 | -82.4 | -88.5 | 0 | 0 | 0 | 108.9 | F153 | F151-F153 PolarHBondContact O-N 3.23Š| ||
| 152 | Q | 50.7 | Low | 47 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 85% | 0.846 | S | S | * | * | trans | -76.5 | 103 | 170.2 | -77.5 | -177.3 | -10.2 | 0 | 0 | 110.6 | R154 | Q152-R154 PolarHBondContact O-N 3.27Š| ||
| 153 | F | 48.3 | Very low | 46.7 | Very low | 202 Ų | 202 | 142.2 Ų | 142.2 | 89% | 0.886 | 85% | 0.845 | S | S | * | * | trans | -78.3 | 96.6 | 167 | -115.2 | -98.7 | 0 | 0 | 0 | 109.3 | F151 G155 | F151-F153 PolarHBondContact O-N 3.23Å; F153-G155 VanDerWaalsContact C-N 3.34Å; F153-G155 PolarHBondContact O-N 3.01Å | ||
| 154 | R | 55 | Low | 46.6 | Very low | 250 Ų | 250 | 146.8 Ų | 146.8 | 94% | 0.943 | 85% | 0.851 | S | S | * | * | trans | -78.2 | 86.2 | 172.1 | -128.2 | -177.6 | -171.7 | 168.9 | 3 | 109.4 | Q152 | Q152-R154 PolarHBondContact O-N 3.27Š| ||
| 155 | G | 42.5 | Very low | 47.8 | Very low | 70 Ų | 70 | 148.8 Ų | 148.8 | 72% | 0.722 | 85% | 0.849 | S | S | * | * | trans | -75.3 | 142.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F153 | F153-G155 VanDerWaalsContact C-N 3.34Å; F153-G155 PolarHBondContact O-N 3.01Å | ||
| 156 | G | 47.3 | Very low | 48.1 | Very low | 74 Ų | 74 | 156.3 Ų | 156.3 | 76% | 0.763 | 87% | 0.865 | S | S | * | * | trans | 96.2 | 96.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | G158 | G156-G158 PolarHBondContact O-N 3.47Š| ||
| 157 | F | 39.9 | Very low | 48.2 | Very low | 226 Ų | 226 | 160.4 Ų | 160.4 | 99% | 0.991 | 87% | 0.869 | S | S | * | * | trans | -88.7 | 90.2 | 150.7 | -91.4 | -92.2 | 0 | 0 | 0 | 108.7 | ||||
| 158 | G | 47.8 | Very low | 47.9 | Very low | 70 Ų | 70 | 163.2 Ų | 163.2 | 72% | 0.722 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 145.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G156 G160 | G156-G158 PolarHBondContact O-N 3.47Å; G158-G160 PolarHBondContact O-N 3.42Å |
| 159 | R | 51 | Low | 48 | Very low | 248 Ų | 248 | 167.7 Ų | 167.7 | 94% | 0.936 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 123.4 | 177.3 | -64.9 | 171 | 178.1 | -178.2 | -0.9 | 110 | R161 | R159-R161 PolarHBondContact O-N 3.38Š|
| 160 | G | 44.8 | Very low | 47.6 | Very low | 85 Ų | 85 | 168.9 Ų | 168.9 | 88% | 0.876 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 123.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G158 | G158-G160 PolarHBondContact O-N 3.42Š|
| 161 | R | 44.5 | Very low | 47.4 | Very low | 250 Ų | 250 | 169.1 Ų | 169.1 | 94% | 0.943 | 88% | 0.884 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 133.1 | 172 | -162 | 179.7 | -175.4 | -170.1 | 0.7 | 108.3 | R159 | R159-R161 PolarHBondContact O-N 3.38Š|
| 162 | G | 43.1 | Very low | 47.3 | Very low | 78 Ų | 78 | 167.3 Ų | 167.3 | 80% | 0.804 | 89% | 0.886 | S | S | * | * | P | Polyproline II helix | trans | -67 | 158.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 163 | Q | 43.3 | Very low | 47 | Very low | 196 Ų | 196 | 166.6 Ų | 166.6 | 92% | 0.916 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 132.7 | 177.3 | -166.8 | 125.5 | 33.8 | 0 | 0 | 109.6 | ||
| 164 | Q | 41.9 | Very low | 46.9 | Very low | 187 Ų | 187 | 163.8 Ų | 163.8 | 87% | 0.874 | 89% | 0.89 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 143.1 | 172.5 | -80.4 | 175.3 | -25.9 | 0 | 0 | 110.9 | ||
| 165 | P | 61.8 | Low | 46.2 | Very low | 124 Ų | 124 | 156.7 Ų | 156.7 | 81% | 0.805 | 89% | 0.885 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 154.7 | 171.9 | 33.2 | -27.8 | 0 | 0 | 0 | 112.5 | ||
| 166 | Q | 46.9 | Very low | 46.6 | Very low | 272 Ų | 272 | 164.5 Ų | 164.5 | 100% | 1.271 | 90% | 0.9 | S | S | * | * | trans | -66.7 | 0 | 169.5 | -79.4 | -174.2 | 11.3 | 0 | 0 | 112.1 |
Retrieved 166 of 166 residues in 27.7 ms
(Link to these results)