| 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 | 47.9 | Very low | 79.1 | Confident | 157 Ų | 157 | 54.5 Ų | 54.5 | 77% | 0.773 | 26% | 0.264 | S | S | * | . | 0 | -76.6 | 0 | -64.5 | -153.8 | -159.3 | 0 | 0 | 113.9 | D3 R37 | M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.44Å; M1-D3 VanDerWaalsContact O-N 3.15Å; M1-R37 HydrophobicContact CE-CB 3.89Å; M1-R37 HydrophobicContact CG-CB 4.1Å; M1-R37 HydrophobicContact SD-CB 4.25Å | |||
| 2 | K | 65.8 | Low | 79.1 | Confident | 149 Ų | 149 | 51.6 Ų | 51.6 | 65% | 0.648 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -62.6 | -24.5 | -167.7 | -74 | 177.8 | -179.1 | 166.3 | 0 | 116.1 | K229 | K2-K229 HydrophobicContact CB-CB 4.16Å; K2-K229 HydrophobicContact CB-CG 4.31Å; K2-K229 HydrophobicContact CD-CG 4.33Å |
| 3 | D | 78 | Confident | 79.1 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -57.1 | -53.7 | 178.9 | -172.1 | 15.3 | 0 | 0 | 0 | 112.7 | M1 G75 R77 R213 F230 | M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.44Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-G75 WeakPolarHBondContact OD2-CA 3.3Å; D3-R77 HydrophobicContact CB-CB 4.42Å; D3-R77 WeakPolarHBondContact OD2-CB 3.23Å; D3-R213 PolarHBondContact O-NH2 3Å; D3-R213 IonicContact OD1-CZ 3.71Å; D3-R213 IonicContact OD1-NH1 3.53Å; D3-R213 PolarHBondContact OD1-NH1 3.45Å; D3-R213 IonicContact OD1-NH2 2.99Å; D3-R213 PolarHBondContact OD1-NH2 2.95Å; D3-F230 WeakPolarHBondContact O-CE1 3.38Å; D3-F230 VanDerWaalsContact OD1-CD1 3.23Å; D3-F230 WeakPolarHBondContact OD1-CD1 3.35Å |
| 4 | L | 85.2 | Confident | 79.4 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -104.8 | 30.5 | -169.8 | -66 | 163 | 0 | 0 | 0 | 113.9 | L6 E7 R8 V73 | L4-L6 VanDerWaalsContact C-N 3.29Å; L4-L6 PolarHBondContact O-N 3.25Å; L4-E7 WeakPolarHBondContact CA-OE2 3.29Å; L4-E7 HydrophobicContact CD2-CG 4.26Å; L4-R8 VanDerWaalsContact O-CB 3.32Å; L4-R8 WeakPolarHBondContact O-CB 3.21Å; L4-R8 PolarHBondContact O-N 3.09Å; L4-V73 HydrophobicContact CD1-CB 4.23Å; L4-V73 HydrophobicContact CD1-CG1 3.98Å; L4-V73 WeakPolarHBondContact CD1-O 3.39Å; L4-V73 HydrophobicContact CD2-CG1 4.07Å |
| 5 | N | 80.7 | Confident | 80 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.2 | -22.3 | -174.4 | -169.1 | 44.5 | 0 | 0 | 0 | 113 | N9 | N5-N9 WeakPolarHBondContact O-CB 3.44Å; N5-N9 PolarHBondContact O-N 3.1Å; N5-N9 PolarHBondContact O-ND2 3.3Å; N5-N9 PolarHBondContact OD1-ND2 2.97Å |
| 6 | L | 84.5 | Confident | 80.4 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -78.9 | -45.2 | -176.5 | -58.8 | 174 | 0 | 0 | 0 | 110.6 | L4 N9 V10 L285 | L4-L6 VanDerWaalsContact C-N 3.29Å; L4-L6 PolarHBondContact O-N 3.25Å; L6-N9 PolarHBondContact O-N 2.91Å; L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.37Å; L6-L285 HydrophobicContact CB-CD1 4.28Å; L6-L285 HydrophobicContact CB-CD2 4.02Å |
| 7 | E | 89.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.3 | -54.1 | 175.9 | -59.1 | 84.8 | 166.4 | 0 | 0 | 110 | L4 N9 V10 L11 R213 Y284 L285 F288 | L4-E7 WeakPolarHBondContact CA-OE2 3.29Å; L4-E7 HydrophobicContact CD2-CG 4.26Å; E7-N9 PolarHBondContact O-N 2.92Å; E7-V10 PolarHBondContact O-N 2.72Å; E7-V10 VanDerWaalsContact O-N 3.09Å; E7-L11 PolarHBondContact O-N 3.28Å; E7-R213 WeakPolarHBondContact OE1-CD 3.34Å; E7-R213 IonicContact OE1-CZ 2.81Å; E7-R213 IonicContact OE1-NE 3.6Å; E7-R213 PolarHBondContact OE1-NE 3.23Å; E7-R213 IonicContact OE1-NH2 3.92Å; E7-Y284 HydrophobicContact CG-CE1 4.17Å; E7-Y284 VanDerWaalsContact CG-OH 3.29Å; E7-Y284 WeakPolarHBondContact CG-OH 3.48Å; E7-L285 HydrophobicContact CG-CD2 4.37Å; E7-F288 HydrophobicContact CB-CD1 4.31Å; E7-F288 HydrophobicContact CB-CE1 3.65Å; E7-F288 HydrophobicContact CB-CZ 3.85Å; E7-F288 HydrophobicContact CG-CE1 4.26Å; E7-F288 HydrophobicContact CG-CZ 4.41Å |
| 8 | R | 83.2 | Confident | 80.5 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -51.6 | -50.7 | 175.7 | -171.4 | -166.5 | -158.2 | -172.2 | 15.2 | 112.2 | L4 V10 L11 M12 D35 R37 | L4-R8 VanDerWaalsContact O-CB 3.32Å; L4-R8 WeakPolarHBondContact O-CB 3.21Å; L4-R8 PolarHBondContact O-N 3.09Å; R8-V10 VanDerWaalsContact C-N 3.26Å; R8-V10 PolarHBondContact O-N 2.91Å; R8-L11 PolarHBondContact O-N 3.38Å; R8-M12 HydrophobicContact CG-SD 3.89Å; R8-M12 VanDerWaalsContact O-CG 3.28Å; R8-M12 WeakPolarHBondContact O-CG 3.29Å; R8-M12 PolarHBondContact O-N 3.23Å; R8-D35 IonicContact CZ-OD1 3.18Å; R8-D35 IonicContact CZ-OD2 3.5Å; R8-D35 VanDerWaalsContact CZ-OD2 3.25Å; R8-D35 IonicContact NE-OD1 2.8Å; R8-D35 IonicContact NE-OD2 2.76Å; R8-D35 PolarHBondContact NE-OD2 3.43Å; R8-D35 IonicContact NH2-OD1 2.88Å; R8-D35 PolarHBondContact NH2-OD1 3.27Å; R8-D35 IonicContact NH2-OD2 3.23Å; R8-D35 PolarHBondContact NH2-OD2 3.19Å; R8-R37 PolarHBondContact NH2-O 3.15Å |
| 9 | N | 81.6 | Confident | 80.7 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.1 | -29 | -178.6 | -75.5 | -38.5 | 0 | 0 | 0 | 112.9 | N5 L6 E7 K13 P755 | N5-N9 WeakPolarHBondContact O-CB 3.44Å; N5-N9 PolarHBondContact O-N 3.1Å; N5-N9 PolarHBondContact O-ND2 3.3Å; N5-N9 PolarHBondContact OD1-ND2 2.97Å; L6-N9 PolarHBondContact O-N 2.91Å; E7-N9 PolarHBondContact O-N 2.92Å; N9-K13 WeakPolarHBondContact O-CB 3.24Å; N9-K13 PolarHBondContact O-N 3.11Å; N9-K13 VanDerWaalsContact O-N 3.14Å; N9-P755 HydrophobicContact CB-CG 3.78Å; N9-P755 WeakPolarHBondContact OD1-CD 3.49Å; N9-P755 WeakPolarHBondContact OD1-CG 3.23Å |
| 10 | V | 86.5 | Confident | 80.6 | Confident | 22 Ų | 22 | 54 Ų | 54 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.6 | -42.7 | 175.4 | 165.6 | 0 | 0 | 0 | 0 | 111.7 | L6 E7 R8 Y14 L285 | L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.37Å; E7-V10 PolarHBondContact O-N 2.72Å; E7-V10 VanDerWaalsContact O-N 3.09Å; R8-V10 VanDerWaalsContact C-N 3.26Å; R8-V10 PolarHBondContact O-N 2.91Å; V10-Y14 HydrophobicContact CG1-CD2 4.28Å; V10-Y14 PolarHBondContact O-N 3.16Å; V10-L285 HydrophobicContact CG2-CB 4.14Å; V10-L285 HydrophobicContact CG2-CD1 4.2Å; V10-L285 HydrophobicContact CG2-CD2 4.16Å; V10-L285 HydrophobicContact CG2-CG 4.39Å |
| 11 | L | 87.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -58.4 | -52.5 | 173.9 | -64.8 | -175.1 | 0 | 0 | 0 | 111.1 | E7 R8 K13 I15 Y16 F288 F292 | E7-L11 PolarHBondContact O-N 3.28Å; R8-L11 PolarHBondContact O-N 3.38Å; L11-K13 PolarHBondContact O-N 2.97Å; L11-I15 HydrophobicContact CD2-CB 4.26Å; L11-I15 HydrophobicContact CD2-CG1 4.04Å; L11-I15 WeakPolarHBondContact O-CA 3.43Å; L11-I15 PolarHBondContact O-N 3.19Å; L11-Y16 HydrophobicContact CB-CD1 4.26Å; L11-Y16 HydrophobicContact CB-CE1 3.7Å; L11-Y16 HydrophobicContact CB-CE2 4.22Å; L11-Y16 HydrophobicContact CD1-CE1 4.2Å; L11-Y16 HydrophobicContact CG-CE1 4.43Å; L11-Y16 PolarHBondContact O-N 3.4Å; L11-F288 HydrophobicContact CD1-CE1 4.27Å; L11-F288 HydrophobicContact CD1-CZ 4.04Å; L11-F288 HydrophobicContact CD2-CE1 3.69Å; L11-F288 HydrophobicContact CD2-CZ 4.02Å; L11-F288 HydrophobicContact CG-CE1 3.79Å; L11-F288 HydrophobicContact CG-CZ 4.08Å; L11-F292 HydrophobicContact CD1-CD2 3.99Å; L11-F292 HydrophobicContact CD1-CE1 4.47Å; L11-F292 HydrophobicContact CD1-CE2 3.65Å; L11-F292 HydrophobicContact CD1-CZ 3.92Å; L11-F292 HydrophobicContact CD2-CB 3.9Å; L11-F292 HydrophobicContact CD2-CD1 3.7Å; L11-F292 HydrophobicContact CD2-CD2 3.74Å; L11-F292 HydrophobicContact CD2-CE1 4.11Å; L11-F292 HydrophobicContact CD2-CE2 4.14Å; L11-F292 HydrophobicContact CD2-CG 3.51Å; L11-F292 HydrophobicContact CD2-CZ 4.31Å |
| 12 | M | 79.7 | Confident | 81.8 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -59.5 | -43.9 | -179.4 | -68.2 | 172.2 | 68.1 | 0 | 0 | 112.9 | R8 Y16 P17 W38 P754 | R8-M12 HydrophobicContact CG-SD 3.89Å; R8-M12 VanDerWaalsContact O-CG 3.28Å; R8-M12 WeakPolarHBondContact O-CG 3.29Å; R8-M12 PolarHBondContact O-N 3.23Å; M12-Y16 HydrophobicContact CB-CD2 4.43Å; M12-Y16 HydrophobicContact CG-CD2 4.1Å; M12-Y16 HydrophobicContact CG-CE2 3.88Å; M12-P17 WeakPolarHBondContact O-CD 3.44Å; M12-W38 HydrophobicContact CE-CD2 4.17Å; M12-W38 HydrophobicContact CE-CE3 3.84Å; M12-W38 HydrophobicContact CE-CH2 3.34Å; M12-W38 HydrophobicContact CE-CZ2 3.66Å; M12-W38 HydrophobicContact CE-CZ3 3.42Å; M12-W38 VanDerWaalsContact CE-CZ3 3.42Å; M12-P754 HydrophobicContact CE-CB 4.03Å |
| 13 | K | 78.9 | Confident | 82.4 | Confident | 95 Ų | 95 | 43 Ų | 43 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -82 | -30.2 | -172.5 | -170 | 171.1 | 177.1 | 177.7 | 0 | 114.4 | N9 L11 P755 | N9-K13 WeakPolarHBondContact O-CB 3.24Å; N9-K13 PolarHBondContact O-N 3.11Å; N9-K13 VanDerWaalsContact O-N 3.14Å; L11-K13 PolarHBondContact O-N 2.97Å; K13-P755 HydrophobicContact CB-CB 4.04Å; K13-P755 HydrophobicContact CD-CB 4.02Å; K13-P755 HydrophobicContact CG-CB 4.33Å |
| 14 | Y | 83.6 | Confident | 81.8 | Confident | 127 Ų | 127 | 48 Ų | 48 | 50% | 0.498 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -127.7 | -20.2 | -168 | -55.6 | -64.3 | 0 | 0 | 0 | 115.2 | V10 K18 | V10-Y14 HydrophobicContact CG1-CD2 4.28Å; V10-Y14 PolarHBondContact O-N 3.16Å; Y14-K18 WeakPolarHBondContact O-CD 3.45Å; Y14-K18 WeakPolarHBondContact O-CG 3.31Å |
| 15 | I | 87.9 | Confident | 81.3 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -110.1 | -51.5 | -171.1 | -47 | -57.4 | 0 | 0 | 0 | 111.4 | L11 K18 L19 G289 F292 E293 | L11-I15 HydrophobicContact CD2-CB 4.26Å; L11-I15 HydrophobicContact CD2-CG1 4.04Å; L11-I15 WeakPolarHBondContact O-CA 3.43Å; L11-I15 PolarHBondContact O-N 3.19Å; I15-K18 WeakPolarHBondContact O-CB 3.36Å; I15-K18 PolarHBondContact O-N 3.38Å; I15-K18 VanDerWaalsContact O-N 3.09Å; I15-L19 HydrophobicContact CG2-CD1 3.97Å; I15-L19 HydrophobicContact CG2-CG 4.26Å; I15-L19 WeakPolarHBondContact O-CG 3.5Å; I15-L19 PolarHBondContact O-N 2.95Å; I15-G289 WeakPolarHBondContact CD1-O 3.4Å; I15-F292 HydrophobicContact CG2-CD1 3.91Å; I15-E293 HydrophobicContact CD1-CB 4.37Å; I15-E293 WeakPolarHBondContact CD1-OE2 3.47Å; I15-E293 HydrophobicContact CG2-CB 3.87Å; I15-E293 HydrophobicContact CG2-CG 4.33Å |
| 16 | Y | 86 | Confident | 80.9 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 21% | 0.208 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.5 | -39.8 | 178.5 | -59.7 | -16.8 | 0 | 0 | 0 | 113.7 | L11 M12 K18 L19 K20 F31 A33 F292 | L11-Y16 HydrophobicContact CB-CD1 4.26Å; L11-Y16 HydrophobicContact CB-CE1 3.7Å; L11-Y16 HydrophobicContact CB-CE2 4.22Å; L11-Y16 HydrophobicContact CD1-CE1 4.2Å; L11-Y16 HydrophobicContact CG-CE1 4.43Å; L11-Y16 PolarHBondContact O-N 3.4Å; M12-Y16 HydrophobicContact CB-CD2 4.43Å; M12-Y16 HydrophobicContact CG-CD2 4.1Å; M12-Y16 HydrophobicContact CG-CE2 3.88Å; Y16-K18 VanDerWaalsContact C-N 3.33Å; Y16-K18 PolarHBondContact O-N 3.1Å; Y16-L19 HydrophobicContact CD1-CD1 4.44Å; Y16-L19 PolarHBondContact O-N 3.15Å; Y16-K20 PolarHBondContact O-N 3.36Å; Y16-F31 HydrophobicContact CD1-CE1 4.2Å; Y16-F31 HydrophobicContact CG-CE1 4.49Å; Y16-A33 HydrophobicContact CD1-CB 3.88Å; Y16-A33 HydrophobicContact CD2-CB 3.51Å; Y16-A33 HydrophobicContact CE1-CB 3.79Å; Y16-A33 HydrophobicContact CE2-CB 3.42Å; Y16-A33 VanDerWaalsContact CE2-CB 3.42Å; Y16-A33 HydrophobicContact CG-CB 3.75Å; Y16-F292 HydrophobicContact CE1-CE1 4.03Å; Y16-F292 HydrophobicContact CE1-CZ 4.13Å |
| 17 | P | 78.7 | Confident | 80.1 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 174.9 | -24.1 | 35.7 | 0 | 0 | 0 | 112.6 | M12 V21 | M12-P17 WeakPolarHBondContact O-CD 3.44Å; P17-V21 WeakPolarHBondContact O-CG2 3.38Å; P17-V21 PolarHBondContact O-N 2.97Å; P17-V21 VanDerWaalsContact O-N 3.08Å |
| 18 | K | 84 | Confident | 78.8 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 176 | -64.3 | -179.4 | 176.8 | -175.3 | 0 | 112.3 | Y14 I15 Y16 K20 V21 Y22 E293 | Y14-K18 WeakPolarHBondContact O-CD 3.45Å; Y14-K18 WeakPolarHBondContact O-CG 3.31Å; I15-K18 WeakPolarHBondContact O-CB 3.36Å; I15-K18 PolarHBondContact O-N 3.38Å; I15-K18 VanDerWaalsContact O-N 3.09Å; Y16-K18 VanDerWaalsContact C-N 3.33Å; Y16-K18 PolarHBondContact O-N 3.1Å; K18-K20 VanDerWaalsContact C-N 3.3Å; K18-K20 PolarHBondContact O-N 3.18Å; K18-V21 PolarHBondContact O-N 3.36Å; K18-Y22 VanDerWaalsContact O-CB 3.3Å; K18-Y22 WeakPolarHBondContact O-CB 3.29Å; K18-Y22 PolarHBondContact O-N 3.15Å; K18-E293 VanDerWaalsContact CD-CD 3.47Å; K18-E293 HydrophobicContact CD-CG 4.46Å; K18-E293 WeakPolarHBondContact CD-OE1 3.42Å; K18-E293 WeakPolarHBondContact CD-OE2 3.46Å; K18-E293 IonicContact NZ-OE1 3.46Å; K18-E293 PolarHBondContact NZ-OE1 3.15Å; K18-E293 IonicContact NZ-OE2 2.88Å; K18-E293 PolarHBondContact NZ-OE2 2.96Å |
| 19 | L | 85.2 | Confident | 78.1 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.7 | -68.9 | 173.9 | 0 | 0 | 0 | 110.8 | I15 Y16 Y22 C23 F31 F292 T296 I297 I300 | I15-L19 HydrophobicContact CG2-CD1 3.97Å; I15-L19 HydrophobicContact CG2-CG 4.26Å; I15-L19 WeakPolarHBondContact O-CG 3.5Å; I15-L19 PolarHBondContact O-N 2.95Å; Y16-L19 HydrophobicContact CD1-CD1 4.44Å; Y16-L19 PolarHBondContact O-N 3.15Å; L19-Y22 PolarHBondContact O-N 3.43Å; L19-C23 PolarHBondContact O-N 3.18Å; L19-C23 PolarHBondContact O-SG 2.92Å; L19-C23 VanDerWaalsContact O-SG 3.33Å; L19-F31 HydrophobicContact CB-CD1 3.75Å; L19-F31 HydrophobicContact CB-CD2 4.39Å; L19-F31 HydrophobicContact CB-CE1 3.69Å; L19-F31 HydrophobicContact CB-CE2 4.34Å; L19-F31 HydrophobicContact CB-CG 4.12Å; L19-F31 HydrophobicContact CB-CZ 4.01Å; L19-F31 HydrophobicContact CD1-CE1 3.89Å; L19-F31 HydrophobicContact CD1-CE2 4.3Å; L19-F31 HydrophobicContact CD1-CZ 3.63Å; L19-F31 HydrophobicContact CG-CE1 4.46Å; L19-F31 HydrophobicContact CG-CZ 4.46Å; L19-F292 HydrophobicContact CD1-CE1 4.17Å; L19-T296 HydrophobicContact CD1-CG2 3.78Å; L19-T296 HydrophobicContact CD2-CG2 4.25Å; L19-I297 HydrophobicContact CD2-CD1 4.28Å; L19-I297 HydrophobicContact CD2-CG1 3.67Å; L19-I300 HydrophobicContact CD2-CD1 4.45Å |
| 20 | K | 77.8 | Confident | 77.4 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 19% | 0.191 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 173.5 | -177.3 | 162.1 | 177.7 | 142.1 | 0 | 113.4 | Y16 K18 R24 D30 F31 | Y16-K20 PolarHBondContact O-N 3.36Å; K18-K20 VanDerWaalsContact C-N 3.3Å; K18-K20 PolarHBondContact O-N 3.18Å; K20-R24 VanDerWaalsContact O-CB 3.31Å; K20-R24 WeakPolarHBondContact O-CB 3.38Å; K20-R24 PolarHBondContact O-N 3.1Å; K20-D30 WeakPolarHBondContact CE-OD1 3.31Å; K20-D30 IonicContact NZ-OD1 3.72Å; K20-D30 PolarHBondContact NZ-OD1 2.6Å; K20-F31 HydrophobicContact CB-CB 4.1Å; K20-F31 HydrophobicContact CB-CD1 4.47Å |
| 21 | V | 74.2 | Confident | 77 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 172.3 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | P17 K18 R24 E25 | P17-V21 WeakPolarHBondContact O-CG2 3.38Å; P17-V21 PolarHBondContact O-N 2.97Å; P17-V21 VanDerWaalsContact O-N 3.08Å; K18-V21 PolarHBondContact O-N 3.36Å; V21-R24 PolarHBondContact O-N 3.16Å; V21-E25 HydrophobicContact CG1-CG 4.07Å; V21-E25 WeakPolarHBondContact CG1-OE1 3.48Å; V21-E25 WeakPolarHBondContact CG1-OE2 3.46Å; V21-E25 WeakPolarHBondContact O-CB 3.07Å; V21-E25 WeakPolarHBondContact O-CG 3.45Å; V21-E25 PolarHBondContact O-N 2.95Å |
| 22 | Y | 80.4 | Confident | 76.4 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -48 | -178.6 | -178.3 | -95.3 | 0 | 0 | 0 | 113.5 | K18 L19 R24 K26 Y27 I297 D301 | K18-Y22 VanDerWaalsContact O-CB 3.3Å; K18-Y22 WeakPolarHBondContact O-CB 3.29Å; K18-Y22 PolarHBondContact O-N 3.15Å; L19-Y22 PolarHBondContact O-N 3.43Å; Y22-R24 PolarHBondContact O-N 3.34Å; Y22-K26 HydrophobicContact CE1-CD 4.01Å; Y22-K26 HydrophobicContact CE2-CD 3.86Å; Y22-K26 VanDerWaalsContact CZ-CD 3.48Å; Y22-K26 WeakPolarHBondContact O-CB 3.21Å; Y22-K26 PolarHBondContact O-N 2.93Å; Y22-K26 WeakPolarHBondContact OH-CD 3.21Å; Y22-K26 PolarHBondContact OH-NZ 3.26Å; Y22-Y27 HydrophobicContact CE1-CE2 4.34Å; Y22-I297 HydrophobicContact CD1-CD1 4.49Å; Y22-I297 HydrophobicContact CD1-CG1 3.99Å; Y22-I297 HydrophobicContact CD2-CD1 4.32Å; Y22-I297 HydrophobicContact CE1-CB 4.3Å; Y22-I297 HydrophobicContact CE1-CG1 3.94Å; Y22-I297 HydrophobicContact CE1-CG2 3.74Å; Y22-I297 HydrophobicContact CE2-CD1 4.37Å; Y22-I297 HydrophobicContact CE2-CG2 4.28Å; Y22-I297 HydrophobicContact CG-CD1 4.36Å; Y22-I297 HydrophobicContact CG-CG1 4.34Å; Y22-I297 VanDerWaalsContact OH-CG2 3.31Å; Y22-I297 WeakPolarHBondContact OH-CG2 3.48Å; Y22-D301 WeakPolarHBondContact CE1-OD1 3.5Å; Y22-D301 VanDerWaalsContact OH-CG 3.29Å; Y22-D301 PolarHBondContact OH-OD1 2.85Å; Y22-D301 PolarHBondContact OH-OD2 3.38Å |
| 23 | C | 76.6 | Confident | 76.4 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.034 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.6 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | L19 Y27 G28 F29 F31 | L19-C23 PolarHBondContact O-N 3.18Å; L19-C23 PolarHBondContact O-SG 2.92Å; L19-C23 VanDerWaalsContact O-SG 3.33Å; C23-Y27 CarbonylContact O-C 3.4Å; C23-Y27 WeakPolarHBondContact O-CA 3.41Å; C23-Y27 WeakPolarHBondContact O-CB 3.45Å; C23-Y27 PolarHBondContact O-N 2.95Å; C23-G28 PolarHBondContact O-N 2.87Å; C23-G28 VanDerWaalsContact O-N 3.08Å; C23-F29 CarbonylContact C-O 3.59Å; C23-F29 HydrophobicContact CB-CB 4.43Å; C23-F29 WeakPolarHBondContact CB-O 3.38Å; C23-F29 PolarHBondContact O-N 2.99Å; C23-F31 HydrophobicContact CB-CB 4.28Å |
| 24 | R | 67.2 | Low | 76.2 | Confident | 115 Ų | 115 | 62.6 Ų | 62.6 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | -176.9 | -172.1 | 176.9 | -179.7 | 170.7 | 3.5 | 112.5 | K20 V21 Y22 G28 F29 | K20-R24 VanDerWaalsContact O-CB 3.31Å; K20-R24 WeakPolarHBondContact O-CB 3.38Å; K20-R24 PolarHBondContact O-N 3.1Å; V21-R24 PolarHBondContact O-N 3.16Å; Y22-R24 PolarHBondContact O-N 3.34Å; R24-G28 WeakPolarHBondContact O-CA 3.47Å; R24-G28 PolarHBondContact O-N 3.06Å; R24-G28 VanDerWaalsContact O-N 3.17Å; R24-F29 WeakPolarHBondContact CA-O 3.14Å; R24-F29 PolarHBondContact N-O 3.3Å; R24-F29 VanDerWaalsContact N-O 3.13Å |
| 25 | E | 73 | Confident | 75.8 | Confident | 163 Ų | 163 | 57.8 Ų | 57.8 | 76% | 0.762 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -74.1 | -37.7 | -179.2 | -71 | 179.7 | 170.8 | 0 | 0 | 112.9 | V21 | V21-E25 HydrophobicContact CG1-CG 4.07Å; V21-E25 WeakPolarHBondContact CG1-OE1 3.48Å; V21-E25 WeakPolarHBondContact CG1-OE2 3.46Å; V21-E25 WeakPolarHBondContact O-CB 3.07Å; V21-E25 WeakPolarHBondContact O-CG 3.45Å; V21-E25 PolarHBondContact O-N 2.95Å |
| 26 | K | 72.9 | Confident | 75 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -89.2 | -32 | -175 | -168 | -178.5 | 173.4 | -161.6 | 0 | 113.8 | Y22 D301 | Y22-K26 HydrophobicContact CE1-CD 4.01Å; Y22-K26 HydrophobicContact CE2-CD 3.86Å; Y22-K26 VanDerWaalsContact CZ-CD 3.48Å; Y22-K26 WeakPolarHBondContact O-CB 3.21Å; Y22-K26 PolarHBondContact O-N 2.93Å; Y22-K26 WeakPolarHBondContact OH-CD 3.21Å; Y22-K26 PolarHBondContact OH-NZ 3.26Å; K26-D301 IonicContact NZ-OD1 3.84Å; K26-D301 PolarHBondContact NZ-OD1 3.39Å; K26-D301 IonicContact NZ-OD2 3.24Å; K26-D301 PolarHBondContact NZ-OD2 3.48Å |
| 27 | Y | 68.8 | Low | 74.1 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -134.2 | -5.3 | -169.5 | -61.7 | -61.6 | 0 | 0 | 0 | 114.7 | Y22 C23 F29 I300 D301 V304 | Y22-Y27 HydrophobicContact CE1-CE2 4.34Å; C23-Y27 CarbonylContact O-C 3.4Å; C23-Y27 WeakPolarHBondContact O-CA 3.41Å; C23-Y27 WeakPolarHBondContact O-CB 3.45Å; C23-Y27 PolarHBondContact O-N 2.95Å; Y27-F29 PolarHBondContact O-N 2.88Å; Y27-I300 HydrophobicContact CD2-CG2 4.34Å; Y27-I300 HydrophobicContact CE2-CG2 4.24Å; Y27-D301 PolarHBondContact OH-OD1 3.39Å; Y27-V304 HydrophobicContact CD1-CG1 3.75Å; Y27-V304 HydrophobicContact CD2-CG2 4.38Å; Y27-V304 HydrophobicContact CE1-CB 4.26Å; Y27-V304 HydrophobicContact CE1-CG1 3.72Å; Y27-V304 HydrophobicContact CE2-CG2 4.46Å; Y27-V304 HydrophobicContact CG-CG1 4.33Å; Y27-V304 HydrophobicContact CG-CG2 4.44Å |
| 28 | G | 61.7 | Low | 73.3 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 62% | 0.619 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 74.9 | -10.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C23 R24 | C23-G28 PolarHBondContact O-N 2.87Å; C23-G28 VanDerWaalsContact O-N 3.08Å; R24-G28 WeakPolarHBondContact O-CA 3.47Å; R24-G28 PolarHBondContact O-N 3.06Å; R24-G28 VanDerWaalsContact O-N 3.17Å |
| 29 | F | 67.6 | Low | 72 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | trans | -74.7 | 145 | -179.7 | -66.3 | -59.1 | 0 | 0 | 0 | 113.1 | C23 R24 Y27 I66 V304 | C23-F29 CarbonylContact C-O 3.59Å; C23-F29 HydrophobicContact CB-CB 4.43Å; C23-F29 WeakPolarHBondContact CB-O 3.38Å; C23-F29 PolarHBondContact O-N 2.99Å; R24-F29 WeakPolarHBondContact CA-O 3.14Å; R24-F29 PolarHBondContact N-O 3.3Å; R24-F29 VanDerWaalsContact N-O 3.13Å; Y27-F29 PolarHBondContact O-N 2.88Å; F29-I66 HydrophobicContact CD1-CD1 4.37Å; F29-I66 HydrophobicContact CE1-CD1 3.74Å; F29-I66 HydrophobicContact CZ-CD1 3.99Å; F29-V304 HydrophobicContact CD2-CG2 4.16Å; F29-V304 HydrophobicContact CE2-CG1 4.27Å; F29-V304 HydrophobicContact CE2-CG2 3.88Å | ||
| 30 | D | 66.8 | Low | 70.7 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | trans | -74.3 | 159.9 | 164.6 | -102.7 | -54.1 | 0 | 0 | 0 | 112.2 | K20 Y32 A732 | K20-D30 WeakPolarHBondContact CE-OD1 3.31Å; K20-D30 IonicContact NZ-OD1 3.72Å; K20-D30 PolarHBondContact NZ-OD1 2.6Å; D30-Y32 HydrophobicContact CB-CE2 3.96Å; D30-A732 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 31 | F | 78.8 | Confident | 69.6 | Low | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | trans | -129.6 | 124.8 | 174.9 | 178 | -98.8 | 0 | 0 | 0 | 110.5 | Y16 L19 K20 C23 A33 T296 I300 | Y16-F31 HydrophobicContact CD1-CE1 4.2Å; Y16-F31 HydrophobicContact CG-CE1 4.49Å; L19-F31 HydrophobicContact CB-CD1 3.75Å; L19-F31 HydrophobicContact CB-CD2 4.39Å; L19-F31 HydrophobicContact CB-CE1 3.69Å; L19-F31 HydrophobicContact CB-CE2 4.34Å; L19-F31 HydrophobicContact CB-CG 4.12Å; L19-F31 HydrophobicContact CB-CZ 4.01Å; L19-F31 HydrophobicContact CD1-CE1 3.89Å; L19-F31 HydrophobicContact CD1-CE2 4.3Å; L19-F31 HydrophobicContact CD1-CZ 3.63Å; L19-F31 HydrophobicContact CG-CE1 4.46Å; L19-F31 HydrophobicContact CG-CZ 4.46Å; K20-F31 HydrophobicContact CB-CB 4.1Å; K20-F31 HydrophobicContact CB-CD1 4.47Å; C23-F31 HydrophobicContact CB-CB 4.28Å; F31-A33 HydrophobicContact CE1-CB 3.98Å; F31-A33 HydrophobicContact CZ-CB 4.34Å; F31-T296 HydrophobicContact CE2-CG2 4.34Å; F31-I300 HydrophobicContact CD2-CD1 4.36Å; F31-I300 HydrophobicContact CE2-CD1 4.35Å | ||
| 32 | Y | 75.7 | Confident | 68.7 | Low | 65 Ų | 65 | 58 Ų | 58 | 26% | 0.255 | 29% | 0.292 | S | S | . | . | trans | -121.5 | 118.9 | 177.9 | -60.6 | -59.3 | 0 | 0 | 0 | 110.2 | D30 E731 P761 | D30-Y32 HydrophobicContact CB-CE2 3.96Å; Y32-E731 WeakPolarHBondContact OH-CB 3.34Å; Y32-P761 HydrophobicContact CD1-CB 3.51Å; Y32-P761 HydrophobicContact CD1-CG 3.95Å; Y32-P761 HydrophobicContact CE1-CB 4.03Å; Y32-P761 HydrophobicContact CE1-CG 4.48Å; Y32-P761 HydrophobicContact CG-CB 4.39Å | ||
| 33 | A | 79.1 | Confident | 67.5 | Low | 25 Ų | 25 | 57.8 Ų | 57.8 | 21% | 0.207 | 30% | 0.296 | C | S | . | . | trans | -96.4 | 100.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y16 F31 | Y16-A33 HydrophobicContact CD1-CB 3.88Å; Y16-A33 HydrophobicContact CD2-CB 3.51Å; Y16-A33 HydrophobicContact CE1-CB 3.79Å; Y16-A33 HydrophobicContact CE2-CB 3.42Å; Y16-A33 VanDerWaalsContact CE2-CB 3.42Å; Y16-A33 HydrophobicContact CG-CB 3.75Å; F31-A33 HydrophobicContact CE1-CB 3.98Å; F31-A33 HydrophobicContact CZ-CB 4.34Å | ||
| 34 | I | 74.7 | Confident | 66.4 | Low | 47 Ų | 47 | 57.7 Ų | 57.7 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | trans | -80 | 137.8 | 176.3 | -69.2 | 160.8 | 0 | 0 | 0 | 109 | M36 E57 C61 F762 T765 | I34-M36 HydrophobicContact CG2-SD 3.83Å; I34-E57 HydrophobicContact CG2-CG 4.13Å; I34-C61 VanDerWaalsContact CD1-SG 3.6Å; I34-F762 HydrophobicContact CG1-CB 4.38Å; I34-F762 HydrophobicContact CG2-CB 4.4Å; I34-F762 HydrophobicContact CG2-CD2 3.64Å; I34-F762 HydrophobicContact CG2-CE2 4.07Å; I34-F762 HydrophobicContact CG2-CG 4.08Å; I34-T765 HydrophobicContact CD1-CG2 4.46Å | ||
| 35 | D | 75.6 | Confident | 66 | Low | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | trans | -132.4 | 101.1 | -179.5 | -178.4 | -39.4 | 0 | 0 | 0 | 107.8 | R8 R37 W38 | R8-D35 IonicContact CZ-OD1 3.18Å; R8-D35 IonicContact CZ-OD2 3.5Å; R8-D35 VanDerWaalsContact CZ-OD2 3.25Å; R8-D35 IonicContact NE-OD1 2.8Å; R8-D35 IonicContact NE-OD2 2.76Å; R8-D35 PolarHBondContact NE-OD2 3.43Å; R8-D35 IonicContact NH2-OD1 2.88Å; R8-D35 PolarHBondContact NH2-OD1 3.27Å; R8-D35 IonicContact NH2-OD2 3.23Å; R8-D35 PolarHBondContact NH2-OD2 3.19Å; D35-R37 PolarHBondContact O-N 3.21Å; D35-R37 WeakPolarHBondContact OD1-CA 3.44Å; D35-R37 WeakPolarHBondContact OD1-CB 3.05Å; D35-R37 PolarHBondContact OD1-N 3.4Å; D35-W38 HydrophobicContact CB-CB 4.13Å; D35-W38 PolarHBondContact O-N 2.85Å; D35-W38 PolarHBondContact OD1-N 3.07Å | ||
| 36 | M | 70.8 | Confident | 65.5 | Low | 25 Ų | 25 | 49.7 Ų | 49.7 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -15.3 | -176.3 | -32.2 | -49.6 | -64.4 | 0 | 0 | 113.7 | I34 C54 E57 V58 | I34-M36 HydrophobicContact CG2-SD 3.83Å; M36-C54 HydrophobicContact CB-CB 4.28Å; M36-C54 HydrophobicContact CE-CB 4.21Å; M36-C54 WeakPolarHBondContact CE-O 3.42Å; M36-E57 HydrophobicContact CE-CB 3.62Å; M36-E57 HydrophobicContact CE-CG 3.63Å; M36-V58 HydrophobicContact CE-CG2 3.84Å; M36-V58 HydrophobicContact SD-CG2 4.33Å |
| 37 | R | 67.5 | Low | 65.3 | Low | 72 Ų | 72 | 46.8 Ų | 46.8 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 19.1 | -172.5 | -49.2 | -50.8 | -174 | 176 | 9.5 | 111.6 | M1 R8 D35 E192 | M1-R37 HydrophobicContact CE-CB 3.89Å; M1-R37 HydrophobicContact CG-CB 4.1Å; M1-R37 HydrophobicContact SD-CB 4.25Å; R8-R37 PolarHBondContact NH2-O 3.15Å; D35-R37 PolarHBondContact O-N 3.21Å; D35-R37 WeakPolarHBondContact OD1-CA 3.44Å; D35-R37 WeakPolarHBondContact OD1-CB 3.05Å; D35-R37 PolarHBondContact OD1-N 3.4Å; R37-E192 IonicContact CZ-OE1 3.2Å; R37-E192 IonicContact CZ-OE2 3.18Å; R37-E192 IonicContact NE-OE1 2.8Å; R37-E192 PolarHBondContact NE-OE1 2.93Å; R37-E192 IonicContact NE-OE2 2.67Å; R37-E192 IonicContact NH1-OE1 3.11Å; R37-E192 PolarHBondContact NH1-OE1 3.19Å; R37-E192 IonicContact NH2-OE1 2.76Å; R37-E192 PolarHBondContact NH2-OE1 3.11Å; R37-E192 IonicContact NH2-OE2 2.7Å; R37-E192 PolarHBondContact NH2-OE2 3.08Å |
| 38 | W | 61 | Low | 65.3 | Low | 47 Ų | 47 | 44.6 Ų | 44.6 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -130.1 | 150.5 | 177.3 | -159.8 | 21.4 | 0 | 0 | 0 | 110.6 | M12 D35 V40 F749 P754 P760 F762 | M12-W38 HydrophobicContact CE-CD2 4.17Å; M12-W38 HydrophobicContact CE-CE3 3.84Å; M12-W38 HydrophobicContact CE-CH2 3.34Å; M12-W38 HydrophobicContact CE-CZ2 3.66Å; M12-W38 HydrophobicContact CE-CZ3 3.42Å; M12-W38 VanDerWaalsContact CE-CZ3 3.42Å; D35-W38 HydrophobicContact CB-CB 4.13Å; D35-W38 PolarHBondContact O-N 2.85Å; D35-W38 PolarHBondContact OD1-N 3.07Å; W38-V40 PolarHBondContact O-N 2.87Å; W38-F749 HydrophobicContact CZ2-CE1 4.14Å; W38-P754 HydrophobicContact CH2-CB 4.2Å; W38-P754 HydrophobicContact CZ2-CB 3.58Å; W38-P754 HydrophobicContact CZ2-CG 3.96Å; W38-P760 HydrophobicContact CD2-CB 4.16Å; W38-P760 HydrophobicContact CD2-CG 4.19Å; W38-P760 HydrophobicContact CE3-CB 3.82Å; W38-P760 HydrophobicContact CE3-CG 4.28Å; W38-P760 HydrophobicContact CH2-CB 3.78Å; W38-P760 HydrophobicContact CH2-CG 3.71Å; W38-P760 HydrophobicContact CZ2-CB 4.14Å; W38-P760 HydrophobicContact CZ2-CG 3.62Å; W38-P760 HydrophobicContact CZ3-CB 3.63Å; W38-P760 HydrophobicContact CZ3-CG 4.06Å; W38-F762 VanDerWaalsContact O-CD1 3.26Å; W38-F762 WeakPolarHBondContact O-CD1 3.38Å; W38-F762 WeakPolarHBondContact O-CE1 3.27Å |
| 39 | G | 57.3 | Low | 65.5 | Low | 28 Ų | 28 | 44.6 Ų | 44.6 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 66 | -5.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | P41 | G39-P41 VanDerWaalsContact O-CD 3.28Å; G39-P41 WeakPolarHBondContact O-CD 3.31Å |
| 40 | V | 57.7 | Low | 65.4 | Low | 39 Ų | 39 | 41.3 Ų | 41.3 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | trans | -68.9 | 116.2 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | W38 T44 F762 | W38-V40 PolarHBondContact O-N 2.87Å; V40-T44 WeakPolarHBondContact CG1-OG1 3.38Å; V40-F762 HydrophobicContact CG2-CE1 4.12Å | ||
| 41 | P | 55.1 | Low | 65.5 | Low | 32 Ų | 32 | 39.6 Ų | 39.6 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | trans | -66 | 148.5 | -179.3 | -21.8 | 34.8 | 0 | 0 | 0 | 112.3 | G39 V43 T44 | G39-P41 VanDerWaalsContact O-CD 3.28Å; G39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-V43 PolarHBondContact O-N 2.74Å; P41-V43 VanDerWaalsContact O-N 3.12Å; P41-T44 PolarHBondContact O-N 2.89Å; P41-T44 VanDerWaalsContact O-N 3.08Å; P41-T44 PolarHBondContact O-OG1 2.86Å | ||
| 42 | N | 54.4 | Low | 65 | Low | 70 Ų | 70 | 42.9 Ų | 42.9 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -61.2 | -19.4 | 174.7 | -83.8 | -14.7 | 0 | 0 | 0 | 113.3 | Q45 H751 | N42-Q45 PolarHBondContact O-N 3.31Å; N42-Q45 PolarHBondContact OD1-NE2 3.26Å; N42-Q45 VanDerWaalsContact OD1-NE2 3.16Å; N42-H751 PolarHBondContact ND2-CD2 3.48Å; N42-H751 PolarHBondContact ND2-NE2 3.14Å |
| 43 | V | 55 | Low | 64.6 | Low | 51 Ų | 51 | 41 Ų | 41 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -62.6 | -43.2 | 173.9 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | P41 Q45 L46 L139 | P41-V43 PolarHBondContact O-N 2.74Å; P41-V43 VanDerWaalsContact O-N 3.12Å; V43-Q45 PolarHBondContact O-N 3.28Å; V43-L46 WeakPolarHBondContact O-CB 3.42Å; V43-L46 PolarHBondContact O-N 2.96Å; V43-L139 HydrophobicContact CG1-CD1 4.01Å |
| 44 | T | 54.8 | Low | 64.3 | Low | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -73.7 | 21.3 | 176.2 | 58.2 | 0 | 0 | 0 | 0 | 115 | V40 P41 D47 G50 | V40-T44 WeakPolarHBondContact CG1-OG1 3.38Å; P41-T44 PolarHBondContact O-N 2.89Å; P41-T44 VanDerWaalsContact O-N 3.08Å; P41-T44 PolarHBondContact O-OG1 2.86Å; T44-D47 WeakPolarHBondContact CA-OD1 3.43Å; T44-G50 VanDerWaalsContact O-CA 3.3Å; T44-G50 WeakPolarHBondContact O-CA 3.25Å; T44-G50 PolarHBondContact O-N 2.84Å |
| 45 | Q | 58.7 | Low | 64.5 | Low | 100 Ų | 100 | 39 Ų | 39 | 47% | 0.467 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -116 | -7.7 | 165.4 | -62.1 | 173 | 40.4 | 0 | 0 | 111.9 | N42 V43 | N42-Q45 PolarHBondContact O-N 3.31Å; N42-Q45 PolarHBondContact OD1-NE2 3.26Å; N42-Q45 VanDerWaalsContact OD1-NE2 3.16Å; V43-Q45 PolarHBondContact O-N 3.28Å |
| 46 | L | 62.2 | Low | 64.3 | Low | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -23.6 | 178.1 | -69.9 | 170.7 | 0 | 0 | 0 | 112.7 | V43 P132 I133 V134 L139 V145 K149 | V43-L46 WeakPolarHBondContact O-CB 3.42Å; V43-L46 PolarHBondContact O-N 2.96Å; L46-P132 CarbonylContact O-C 3.41Å; L46-P132 WeakPolarHBondContact O-CA 3.49Å; L46-I133 HydrophobicContact CD2-CB 3.83Å; L46-I133 HydrophobicContact CD2-CD1 4.05Å; L46-I133 HydrophobicContact CD2-CG1 4.42Å; L46-I133 HydrophobicContact CD2-CG2 3.92Å; L46-I133 PolarHBondContact O-N 2.99Å; L46-V134 HydrophobicContact CD2-CG2 4.07Å; L46-L139 HydrophobicContact CD1-CD2 3.44Å; L46-L139 VanDerWaalsContact CD1-CD2 3.44Å; L46-V145 HydrophobicContact CD1-CG1 4.1Å; L46-K149 HydrophobicContact CD2-CD 4.23Å; L46-K149 HydrophobicContact CD2-CG 3.68Å |
| 47 | D | 67.4 | Low | 64.4 | Low | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -88.7 | -7.9 | 174.2 | 56.7 | 9.8 | 0 | 0 | 0 | 113.6 | T44 L49 | T44-D47 WeakPolarHBondContact CA-OD1 3.43Å; D47-L49 HydrophobicContact CB-CB 4.43Å; D47-L49 HydrophobicContact CB-CD1 4.14Å; D47-L49 HydrophobicContact CB-CG 4.06Å; D47-L49 PolarHBondContact O-N 3.01Å; D47-L49 PolarHBondContact OD1-N 2.75Å |
| 48 | H | 70.5 | Confident | 65 | Low | 22 Ų | 22 | 37.5 Ų | 37.5 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 60.3 | 9.7 | -168.5 | -50.3 | -65 | 0 | 0 | 0 | 115.8 | G50 P51 F85 L130 K131 I133 W152 | H48-G50 VanDerWaalsContact C-N 3.35Å; H48-G50 PolarHBondContact O-N 2.92Å; H48-P51 WeakPolarHBondContact O-CD 3.02Å; H48-F85 HydrophobicContact CB-CD2 4Å; H48-F85 HydrophobicContact CB-CE2 4.31Å; H48-L130 HydrophobicContact CB-CD2 3.77Å; H48-L130 VanDerWaalsContact CD2-CD2 3.48Å; H48-L130 WeakPolarHBondContact CD2-CD2 3.29Å; H48-L130 VanDerWaalsContact CG-CD2 3.45Å; H48-K131 PolarHBondContact CD2-O 3.49Å; H48-K131 VanDerWaalsContact CD2-O 3.27Å; H48-K131 PolarHBondContact NE2-O 3.22Å; H48-I133 WeakPolarHBondContact CE1-CG1 3.03Å; H48-I133 WeakPolarHBondContact NE2-CG1 3.37Å; H48-W152 AromaticContact CE1-CD2 3.64Å; H48-W152 AromaticContact CE1-CE2 3.29Å; H48-W152 AromaticContact CE1-CE3 3.97Å; H48-W152 AromaticContact CE1-CH2 3.73Å; H48-W152 AromaticContact CE1-CZ2 3.35Å; H48-W152 WeakPolarHBondContact CE1-CZ2 3.07Å; H48-W152 AromaticContact CE1-NE1 3.72Å; H48-W152 AromaticContact ND1-CE2 3.99Å; H48-W152 AromaticContact ND1-CZ2 3.76Å |
| 49 | L | 65.4 | Low | 65.9 | Low | 60 Ų | 60 | 40.3 Ų | 40.3 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | trans | -83.2 | -8.8 | -176.7 | -63.8 | 175.5 | 0 | 0 | 0 | 113.6 | D47 K52 T53 F85 | D47-L49 HydrophobicContact CB-CB 4.43Å; D47-L49 HydrophobicContact CB-CD1 4.14Å; D47-L49 HydrophobicContact CB-CG 4.06Å; D47-L49 PolarHBondContact O-N 3.01Å; D47-L49 PolarHBondContact OD1-N 2.75Å; L49-K52 PolarHBondContact O-N 3.4Å; L49-K52 VanDerWaalsContact O-N 3.16Å; L49-T53 WeakPolarHBondContact O-CB 3.46Å; L49-T53 PolarHBondContact O-N 2.78Å; L49-T53 PolarHBondContact O-OG1 3.42Å; L49-F85 HydrophobicContact CD2-CD1 4.5Å; L49-F85 HydrophobicContact CD2-CD2 4.29Å; L49-F85 HydrophobicContact CD2-CE1 3.99Å; L49-F85 HydrophobicContact CD2-CE2 3.74Å; L49-F85 HydrophobicContact CD2-CZ 3.58Å; L49-F85 HydrophobicContact CG-CE2 4.49Å | ||
| 50 | G | 65.8 | Low | 66.6 | Low | 12 Ų | 12 | 40.8 Ų | 40.8 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -49.5 | -48 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T44 H48 T53 C54 | T44-G50 VanDerWaalsContact O-CA 3.3Å; T44-G50 WeakPolarHBondContact O-CA 3.25Å; T44-G50 PolarHBondContact O-N 2.84Å; H48-G50 VanDerWaalsContact C-N 3.35Å; H48-G50 PolarHBondContact O-N 2.92Å; G50-T53 WeakPolarHBondContact O-CB 3.12Å; G50-T53 PolarHBondContact O-N 3.36Å; G50-C54 PolarHBondContact O-N 3.13Å; G50-C54 PolarHBondContact O-SG 3.2Å |
| 51 | P | 68 | Low | 67.6 | Low | 29 Ų | 29 | 39.8 Ų | 39.8 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 174.5 | -22.4 | 35 | 0 | 0 | 0 | 112.6 | H48 T53 C54 Y55 E82 V188 | H48-P51 WeakPolarHBondContact O-CD 3.02Å; P51-T53 VanDerWaalsContact C-N 3.27Å; P51-T53 PolarHBondContact O-N 2.76Å; P51-C54 WeakPolarHBondContact O-CA 3.44Å; P51-C54 VanDerWaalsContact O-CB 3.25Å; P51-C54 WeakPolarHBondContact O-CB 3.4Å; P51-C54 PolarHBondContact O-N 2.87Å; P51-Y55 HydrophobicContact CB-CE2 4.06Å; P51-Y55 WeakPolarHBondContact O-CD1 3.24Å; P51-Y55 WeakPolarHBondContact O-CD2 3.36Å; P51-Y55 PolarHBondContact O-N 2.89Å; P51-Y55 VanDerWaalsContact O-N 3.11Å; P51-E82 WeakPolarHBondContact CB-OE1 3.16Å; P51-E82 HydrophobicContact CG-CG 4.43Å; P51-E82 WeakPolarHBondContact CG-OE1 3.35Å; P51-V188 HydrophobicContact CB-CG1 4.13Å; P51-V188 HydrophobicContact CB-CG2 4.26Å; P51-V188 HydrophobicContact CG-CG2 4.38Å |
| 52 | K | 69.2 | Low | 68.8 | Low | 102 Ų | 102 | 40.1 Ų | 40.1 | 44% | 0.443 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.7 | -42.6 | 175.9 | -168.3 | -165.9 | 169.6 | -165.6 | 0 | 111.6 | L49 C54 Y55 D56 | L49-K52 PolarHBondContact O-N 3.4Å; L49-K52 VanDerWaalsContact O-N 3.16Å; K52-C54 PolarHBondContact O-N 3.36Å; K52-Y55 WeakPolarHBondContact O-CA 3.5Å; K52-Y55 WeakPolarHBondContact O-CB 3.49Å; K52-Y55 PolarHBondContact O-N 2.87Å; K52-D56 WeakPolarHBondContact CE-OD1 3.28Å; K52-D56 VanDerWaalsContact CE-OD2 3.27Å; K52-D56 WeakPolarHBondContact CE-OD2 3.27Å; K52-D56 IonicContact NZ-OD2 2.8Å; K52-D56 VanDerWaalsContact O-CG 3.29Å; K52-D56 PolarHBondContact O-N 3.41Å |
| 53 | T | 67.5 | Low | 69.6 | Low | 26 Ų | 26 | 45 Ų | 45 | 16% | 0.16 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.1 | -31.8 | 174.6 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | L49 G50 P51 E57 | L49-T53 WeakPolarHBondContact O-CB 3.46Å; L49-T53 PolarHBondContact O-N 2.78Å; L49-T53 PolarHBondContact O-OG1 3.42Å; G50-T53 WeakPolarHBondContact O-CB 3.12Å; G50-T53 PolarHBondContact O-N 3.36Å; P51-T53 VanDerWaalsContact C-N 3.27Å; P51-T53 PolarHBondContact O-N 2.76Å; T53-E57 VanDerWaalsContact O-CB 3.25Å; T53-E57 WeakPolarHBondContact O-CB 3.28Å; T53-E57 PolarHBondContact O-N 2.55Å |
| 54 | C | 72.6 | Confident | 70.3 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.034 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.7 | -34.2 | 172.9 | -56 | 0 | 0 | 0 | 0 | 111.7 | M36 G50 P51 K52 V58 E192 | M36-C54 HydrophobicContact CB-CB 4.28Å; M36-C54 HydrophobicContact CE-CB 4.21Å; M36-C54 WeakPolarHBondContact CE-O 3.42Å; G50-C54 PolarHBondContact O-N 3.13Å; G50-C54 PolarHBondContact O-SG 3.2Å; P51-C54 WeakPolarHBondContact O-CA 3.44Å; P51-C54 VanDerWaalsContact O-CB 3.25Å; P51-C54 WeakPolarHBondContact O-CB 3.4Å; P51-C54 PolarHBondContact O-N 2.87Å; K52-C54 PolarHBondContact O-N 3.36Å; C54-V58 VanDerWaalsContact O-CG2 3.28Å; C54-V58 WeakPolarHBondContact O-CG2 3.29Å; C54-V58 PolarHBondContact O-N 3.34Å; C54-V58 VanDerWaalsContact O-N 3.11Å; C54-E192 HydrophobicContact CB-CG 4.44Å |
| 55 | Y | 77.3 | Confident | 71.4 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 9% | 0.09 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.1 | -50.6 | -179.5 | -55.2 | -25.1 | 0 | 0 | 0 | 111.7 | P51 K52 E57 V58 E59 E82 V188 H191 E192 L195 | P51-Y55 HydrophobicContact CB-CE2 4.06Å; P51-Y55 WeakPolarHBondContact O-CD1 3.24Å; P51-Y55 WeakPolarHBondContact O-CD2 3.36Å; P51-Y55 PolarHBondContact O-N 2.89Å; P51-Y55 VanDerWaalsContact O-N 3.11Å; K52-Y55 WeakPolarHBondContact O-CA 3.5Å; K52-Y55 WeakPolarHBondContact O-CB 3.49Å; K52-Y55 PolarHBondContact O-N 2.87Å; Y55-E57 PolarHBondContact O-N 3.08Å; Y55-V58 PolarHBondContact O-N 2.9Å; Y55-V58 VanDerWaalsContact O-N 3.07Å; Y55-E59 PolarHBondContact O-N 3.07Å; Y55-E82 PolarHBondContact OH-OE2 3.33Å; Y55-V188 HydrophobicContact CE1-CG1 3.92Å; Y55-V188 WeakPolarHBondContact OH-CA 3.41Å; Y55-V188 WeakPolarHBondContact OH-CG1 3.46Å; Y55-H191 AromaticContact CD1-CD2 3.74Å; Y55-H191 AromaticContact CD2-CD2 3.78Å; Y55-H191 HydrophobicContact CE1-CB 3.67Å; Y55-H191 AromaticContact CE1-CD2 3.55Å; Y55-H191 AromaticContact CE1-CG 3.89Å; Y55-H191 AromaticContact CE2-CD2 3.6Å; Y55-H191 AromaticContact CG-CD2 3.87Å; Y55-H191 AromaticContact CZ-CD2 3.49Å; Y55-H191 VanDerWaalsContact CZ-CD2 3.49Å; Y55-H191 AromaticContact CZ-CG 3.66Å; Y55-H191 WeakPolarHBondContact OH-CB 3.19Å; Y55-E192 HydrophobicContact CD1-CG 4.43Å; Y55-E192 HydrophobicContact CE1-CG 4.2Å; Y55-L195 VanDerWaalsContact CB-CD1 3.47Å; Y55-L195 HydrophobicContact CD1-CD1 3.78Å; Y55-L195 HydrophobicContact CG-CD1 3.7Å |
| 56 | D | 71.8 | Confident | 72.2 | Confident | 82 Ų | 82 | 45.1 Ų | 45.1 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.7 | -41.1 | 176.1 | -58.8 | -16.4 | 0 | 0 | 0 | 110.9 | K52 E59 H60 | K52-D56 WeakPolarHBondContact CE-OD1 3.28Å; K52-D56 VanDerWaalsContact CE-OD2 3.27Å; K52-D56 WeakPolarHBondContact CE-OD2 3.27Å; K52-D56 IonicContact NZ-OD2 2.8Å; K52-D56 VanDerWaalsContact O-CG 3.29Å; K52-D56 PolarHBondContact O-N 3.41Å; D56-E59 PolarHBondContact O-N 2.87Å; D56-H60 WeakPolarHBondContact O-CB 3.42Å; D56-H60 PolarHBondContact O-N 2.92Å |
| 57 | E | 73.7 | Confident | 73.1 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.7 | -31.1 | 177.8 | -175.2 | 82.1 | -144.2 | 0 | 0 | 113.2 | I34 M36 T53 Y55 E59 H60 C61 F762 | I34-E57 HydrophobicContact CG2-CG 4.13Å; M36-E57 HydrophobicContact CE-CB 3.62Å; M36-E57 HydrophobicContact CE-CG 3.63Å; T53-E57 VanDerWaalsContact O-CB 3.25Å; T53-E57 WeakPolarHBondContact O-CB 3.28Å; T53-E57 PolarHBondContact O-N 2.55Å; Y55-E57 PolarHBondContact O-N 3.08Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E57-H60 PolarHBondContact O-N 3.35Å; E57-H60 IonicContact OE1-CD2 3.23Å; E57-C61 WeakPolarHBondContact O-CB 3.34Å; E57-C61 PolarHBondContact O-N 3.37Å; E57-C61 PolarHBondContact O-SG 2.96Å; E57-F762 HydrophobicContact CG-CD2 4.33Å; E57-F762 HydrophobicContact CG-CE2 3.68Å; E57-F762 WeakPolarHBondContact OE2-CE2 3.5Å |
| 58 | V | 80.7 | Confident | 74 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -36.3 | 173.8 | 163 | 0 | 0 | 0 | 0 | 111.3 | M36 C54 Y55 K62 F70 L195 | M36-V58 HydrophobicContact CE-CG2 3.84Å; M36-V58 HydrophobicContact SD-CG2 4.33Å; C54-V58 VanDerWaalsContact O-CG2 3.28Å; C54-V58 WeakPolarHBondContact O-CG2 3.29Å; C54-V58 PolarHBondContact O-N 3.34Å; C54-V58 VanDerWaalsContact O-N 3.11Å; Y55-V58 PolarHBondContact O-N 2.9Å; Y55-V58 VanDerWaalsContact O-N 3.07Å; V58-K62 PolarHBondContact O-N 3.18Å; V58-F70 HydrophobicContact CG1-CD2 4.17Å; V58-F70 HydrophobicContact CG1-CE2 4.26Å; V58-F70 HydrophobicContact CG2-CD2 4.15Å; V58-F70 HydrophobicContact CG2-CE2 3.77Å; V58-L195 HydrophobicContact CG1-CB 3.94Å |
| 59 | E | 79.9 | Confident | 74.8 | Confident | 106 Ų | 106 | 44 Ų | 44 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.8 | -40.2 | 172.6 | -61 | -162.8 | 148 | 0 | 0 | 111.4 | Y55 D56 E57 C61 K62 F63 | Y55-E59 PolarHBondContact O-N 3.07Å; D56-E59 PolarHBondContact O-N 2.87Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E59-C61 VanDerWaalsContact C-N 3.31Å; E59-C61 PolarHBondContact O-N 3.09Å; E59-K62 WeakPolarHBondContact O-CB 3.36Å; E59-K62 PolarHBondContact O-N 2.76Å; E59-F63 PolarHBondContact O-N 3.26Å |
| 60 | H | 71.7 | Confident | 76 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -38.7 | 172.4 | -173 | 76 | 0 | 0 | 0 | 113 | D56 E57 K62 F63 L64 N769 | D56-H60 WeakPolarHBondContact O-CB 3.42Å; D56-H60 PolarHBondContact O-N 2.92Å; E57-H60 PolarHBondContact O-N 3.35Å; E57-H60 IonicContact OE1-CD2 3.23Å; H60-K62 VanDerWaalsContact C-N 3.31Å; H60-K62 PolarHBondContact O-N 2.74Å; H60-F63 PolarHBondContact O-N 2.88Å; H60-L64 WeakPolarHBondContact NE2-CD1 3.33Å; H60-L64 PolarHBondContact O-N 2.94Å; H60-N769 PolarHBondContact CD2-ND2 3.47Å; H60-N769 PolarHBondContact CE1-ND2 2.87Å; H60-N769 VanDerWaalsContact CE1-ND2 3.3Å; H60-N769 PolarHBondContact CE1-OD1 3.35Å; H60-N769 PolarHBondContact NE2-ND2 2.86Å; H60-N769 PolarHBondContact NE2-OD1 3.48Å |
| 61 | C | 78.4 | Confident | 77.2 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 12% | 0.122 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 173.9 | -71.4 | 0 | 0 | 0 | 0 | 112.9 | I34 E57 E59 S65 | I34-C61 VanDerWaalsContact CD1-SG 3.6Å; E57-C61 WeakPolarHBondContact O-CB 3.34Å; E57-C61 PolarHBondContact O-N 3.37Å; E57-C61 PolarHBondContact O-SG 2.96Å; E59-C61 VanDerWaalsContact C-N 3.31Å; E59-C61 PolarHBondContact O-N 3.09Å; C61-S65 WeakPolarHBondContact O-CB 3.46Å; C61-S65 PolarHBondContact O-N 3.14Å; C61-S65 VanDerWaalsContact O-N 3.11Å |
| 62 | K | 79.7 | Confident | 78.2 | Confident | 39 Ų | 39 | 43.4 Ų | 43.4 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68 | -45.2 | 171.5 | -63.2 | 177.3 | -174.5 | 170.8 | 0 | 111.5 | V58 E59 H60 L195 | V58-K62 PolarHBondContact O-N 3.18Å; E59-K62 WeakPolarHBondContact O-CB 3.36Å; E59-K62 PolarHBondContact O-N 2.76Å; H60-K62 VanDerWaalsContact C-N 3.31Å; H60-K62 PolarHBondContact O-N 2.74Å; K62-L195 WeakPolarHBondContact CE-O 3.09Å; K62-L195 PolarHBondContact NZ-O 2.69Å |
| 63 | F | 72.1 | Confident | 79.2 | Confident | 173 Ų | 173 | 40.5 Ų | 40.5 | 76% | 0.759 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.3 | -43.5 | -176.3 | -177.4 | -101.3 | 0 | 0 | 0 | 112.6 | E59 H60 | E59-F63 PolarHBondContact O-N 3.26Å; H60-F63 PolarHBondContact O-N 2.88Å |
| 64 | L | 69.9 | Low | 80.2 | Confident | 80 Ų | 80 | 39.5 Ų | 39.5 | 42% | 0.419 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -87.3 | -30.1 | -179.7 | -66.2 | -169.4 | 0 | 0 | 0 | 114.9 | H60 I66 | H60-L64 WeakPolarHBondContact NE2-CD1 3.33Å; H60-L64 PolarHBondContact O-N 2.94Å; L64-I66 PolarHBondContact O-N 3.4Å; L64-I66 VanDerWaalsContact O-N 3.09Å |
| 65 | S | 77 | Confident | 81 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | trans | -82.5 | 100.6 | -168.3 | -178.6 | 0 | 0 | 0 | 0 | 113.4 | C61 G67 P68 K207 | C61-S65 WeakPolarHBondContact O-CB 3.46Å; C61-S65 PolarHBondContact O-N 3.14Å; C61-S65 VanDerWaalsContact O-N 3.11Å; S65-G67 VanDerWaalsContact C-N 3.25Å; S65-G67 PolarHBondContact O-N 2.92Å; S65-G67 PolarHBondContact OG-N 3.49Å; S65-G67 PolarHBondContact OG-O 2.57Å; S65-G67 VanDerWaalsContact OG-O 3.08Å; S65-P68 PolarHBondContact OG-O 2.83Å; S65-P68 VanDerWaalsContact OG-O 3.09Å; S65-K207 PolarHBondContact O-NZ 3.31Å | ||
| 66 | I | 74.6 | Confident | 81.6 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -44.1 | -53.9 | 158 | -66.5 | 178.5 | 0 | 0 | 0 | 110.6 | F29 L64 K207 A303 M307 | F29-I66 HydrophobicContact CD1-CD1 4.37Å; F29-I66 HydrophobicContact CE1-CD1 3.74Å; F29-I66 HydrophobicContact CZ-CD1 3.99Å; L64-I66 PolarHBondContact O-N 3.4Å; L64-I66 VanDerWaalsContact O-N 3.09Å; I66-K207 WeakPolarHBondContact O-CE 3.32Å; I66-K207 PolarHBondContact O-NZ 2.84Å; I66-K207 VanDerWaalsContact O-NZ 3.11Å; I66-A303 WeakPolarHBondContact O-CB 3.15Å; I66-M307 HydrophobicContact CB-SD 4Å; I66-M307 HydrophobicContact CD1-SD 4.11Å; I66-M307 HydrophobicContact CG1-CE 4.04Å; I66-M307 HydrophobicContact CG1-SD 3.68Å; I66-M307 HydrophobicContact CG2-SD 3.51Å; I66-M307 VanDerWaalsContact CG2-SD 3.51Å |
| 67 | G | 82.2 | Confident | 82.3 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -85.1 | -144.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S65 T69 K207 | S65-G67 VanDerWaalsContact C-N 3.25Å; S65-G67 PolarHBondContact O-N 2.92Å; S65-G67 PolarHBondContact OG-N 3.49Å; S65-G67 PolarHBondContact OG-O 2.57Å; S65-G67 VanDerWaalsContact OG-O 3.08Å; G67-T69 PolarHBondContact O-N 3.22Å; G67-T69 VanDerWaalsContact O-N 3.12Å; G67-K207 WeakPolarHBondContact O-CD 3.41Å |
| 68 | P | 86.4 | Confident | 82.9 | Confident | 25 Ų | 25 | 38 Ų | 38 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | trans | -57.8 | 113.3 | 177.6 | -20.7 | 31.5 | 0 | 0 | 0 | 112.5 | S65 I71 T296 L299 I300 | S65-P68 PolarHBondContact OG-O 2.83Å; S65-P68 VanDerWaalsContact OG-O 3.09Å; P68-I71 HydrophobicContact CB-CD1 4.07Å; P68-I71 HydrophobicContact CB-CG1 4.34Å; P68-T296 HydrophobicContact CG-CG2 4.14Å; P68-L299 HydrophobicContact CG-CB 3.81Å; P68-L299 HydrophobicContact CG-CD1 4.47Å; P68-I300 HydrophobicContact CG-CG1 4.03Å | ||
| 69 | T | 86.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | trans | -79.5 | -37.9 | -178.3 | 46.1 | 0 | 0 | 0 | 0 | 113 | G67 K207 C208 | G67-T69 PolarHBondContact O-N 3.22Å; G67-T69 VanDerWaalsContact O-N 3.12Å; T69-K207 HydrophobicContact CG2-CD 3.74Å; T69-C208 PolarHBondContact OG1-SG 3.39Å; T69-C208 VanDerWaalsContact OG1-SG 3.39Å | ||
| 70 | F | 90 | Very high | 82.7 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 13% | 0.127 | 20% | 0.197 | C | C | . | . | trans | -149.6 | 132.8 | 179.9 | -169.4 | -95.3 | 0 | 0 | 0 | 112 | V58 E192 I193 I197 C208 A209 | V58-F70 HydrophobicContact CG1-CD2 4.17Å; V58-F70 HydrophobicContact CG1-CE2 4.26Å; V58-F70 HydrophobicContact CG2-CD2 4.15Å; V58-F70 HydrophobicContact CG2-CE2 3.77Å; F70-E192 HydrophobicContact CZ-CB 4.33Å; F70-E192 WeakPolarHBondContact CZ-O 3.38Å; F70-I193 HydrophobicContact CE1-CG1 4.22Å; F70-I193 HydrophobicContact CZ-CG1 4.44Å; F70-I197 HydrophobicContact CD1-CD1 3.74Å; F70-I197 HydrophobicContact CD1-CG1 3.48Å; F70-I197 VanDerWaalsContact CD1-CG1 3.48Å; F70-I197 HydrophobicContact CE1-CD1 3.83Å; F70-I197 HydrophobicContact CE1-CG1 3.83Å; F70-I197 HydrophobicContact CG-CG1 4.5Å; F70-C208 VanDerWaalsContact O-CA 3.23Å; F70-C208 WeakPolarHBondContact O-CA 3.4Å; F70-C208 WeakPolarHBondContact O-CB 3.39Å; F70-A209 PolarHBondContact O-N 3.13Å | ||
| 71 | I | 91 | Very high | 83.1 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 118.1 | 175.2 | -58.4 | 179 | 0 | 0 | 0 | 108.9 | P68 A209 F211 F292 T296 | P68-I71 HydrophobicContact CB-CD1 4.07Å; P68-I71 HydrophobicContact CB-CG1 4.34Å; I71-A209 WeakPolarHBondContact CA-O 3.24Å; I71-A209 HydrophobicContact CG1-CB 4.44Å; I71-A209 HydrophobicContact CG2-CB 4.41Å; I71-F211 HydrophobicContact CG2-CD2 3.76Å; I71-F211 HydrophobicContact CG2-CE2 3.68Å; I71-F292 HydrophobicContact CD1-CE2 4.46Å; I71-F292 HydrophobicContact CD1-CZ 4.07Å; I71-F292 HydrophobicContact CG2-CE2 3.86Å; I71-F292 HydrophobicContact CG2-CZ 4.38Å; I71-T296 HydrophobicContact CD1-CG2 4.34Å |
| 72 | T | 89.8 | Confident | 83.1 | Confident | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 141.5 | 177.7 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | I197 A209 A210 F211 L255 | T72-I197 HydrophobicContact CG2-CD1 3.86Å; T72-A209 PolarHBondContact N-O 3.12Å; T72-A210 HydrophobicContact CG2-CB 3.63Å; T72-A210 WeakPolarHBondContact O-CA 3.38Å; T72-F211 PolarHBondContact O-N 2.96Å; T72-L255 HydrophobicContact CG2-CD1 4.03Å; T72-L255 HydrophobicContact CG2-CD2 4.42Å |
| 73 | V | 89.8 | Confident | 83.2 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.8 | 169.4 | -167.7 | 0 | 0 | 0 | 0 | 107.6 | L4 F211 F288 | L4-V73 HydrophobicContact CD1-CB 4.23Å; L4-V73 HydrophobicContact CD1-CG1 3.98Å; L4-V73 WeakPolarHBondContact CD1-O 3.39Å; L4-V73 HydrophobicContact CD2-CG1 4.07Å; V73-F211 CarbonylContact C-O 3.55Å; V73-F211 VanDerWaalsContact CA-O 3.28Å; V73-F211 WeakPolarHBondContact CA-O 3.15Å; V73-F211 HydrophobicContact CG1-CB 4.31Å; V73-F211 HydrophobicContact CG2-CB 4.4Å; V73-F288 HydrophobicContact CG1-CE2 4.44Å; V73-F288 HydrophobicContact CG1-CZ 4.48Å |
| 74 | L | 89.3 | Confident | 83.7 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141.4 | -173.8 | -68.9 | 179.6 | 0 | 0 | 0 | 112.4 | T189 I193 F211 T212 R213 I247 R251 L255 | L74-T189 HydrophobicContact CD2-CG2 4.09Å; L74-I193 HydrophobicContact CD1-CD1 3.94Å; L74-I193 HydrophobicContact CD2-CD1 4.07Å; L74-I193 HydrophobicContact CG-CD1 4.4Å; L74-F211 PolarHBondContact N-O 3.26Å; L74-T212 CarbonylContact O-C 3.6Å; L74-T212 WeakPolarHBondContact O-CA 3.34Å; L74-R213 PolarHBondContact O-N 3.16Å; L74-I247 HydrophobicContact CD2-CD1 4.45Å; L74-R251 HydrophobicContact CB-CG 4.19Å; L74-R251 HydrophobicContact CD1-CB 4.18Å; L74-R251 HydrophobicContact CD1-CG 4.04Å; L74-L255 HydrophobicContact CD1-CD1 3.69Å |
| 75 | G | 89 | Confident | 84.2 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | trans | -103.9 | -123.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | D3 R213 R251 | D3-G75 WeakPolarHBondContact OD2-CA 3.3Å; G75-R213 CarbonylContact C-O 3.57Å; G75-R213 WeakPolarHBondContact CA-O 3.31Å; G75-R251 WeakPolarHBondContact O-CD 3.5Å; G75-R251 PolarHBondContact O-NH1 3.39Å | ||
| 76 | Q | 89.7 | Confident | 84.5 | Confident | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -127.4 | 13.5 | 171.9 | -77.2 | 166.9 | -66.1 | 0 | 0 | 112.3 | I215 F230 L231 F244 | Q76-I215 VanDerWaalsContact OE1-CB 3.28Å; Q76-I215 VanDerWaalsContact OE1-CG1 3.31Å; Q76-I215 PolarHBondContact OE1-O 3.29Å; Q76-F230 CarbonylContact C-O 3.55Å; Q76-L231 HydrophobicContact CB-CD2 4Å; Q76-F244 HydrophobicContact CB-CE2 4.44Å |
| 77 | R | 87.4 | Confident | 85 | Confident | 77 Ų | 77 | 28 Ų | 28 | 29% | 0.291 | 15% | 0.146 | S | C | . | . | trans | -99.4 | 131.2 | 172.6 | -163.8 | 179.1 | -178.4 | 144.5 | 11.1 | 110.6 | D3 N228 K229 F230 D232 | D3-R77 HydrophobicContact CB-CB 4.42Å; D3-R77 WeakPolarHBondContact OD2-CB 3.23Å; R77-N228 PolarHBondContact NH1-O 3.3Å; R77-K229 PolarHBondContact NH1-O 3.11Å; R77-F230 PolarHBondContact N-O 3.47Å; R77-D232 WeakPolarHBondContact CG-OD2 3.38Å; R77-D232 IonicContact CZ-OD1 3.06Å; R77-D232 VanDerWaalsContact CZ-OD1 3.23Å; R77-D232 IonicContact NE-OD1 2.68Å; R77-D232 PolarHBondContact NE-OD1 2.85Å; R77-D232 IonicContact NE-OD2 2.96Å; R77-D232 IonicContact NH2-OD1 2.82Å; R77-D232 PolarHBondContact NH2-OD1 2.83Å | ||
| 78 | Y | 84.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | trans | -85.6 | -51.3 | 174.8 | -173.9 | -102.6 | 0 | 0 | 0 | 110.8 | Y81 S185 S187 T189 E190 D232 R243 Q246 I247 | Y78-Y81 HydrophobicContact CD1-CE1 4.27Å; Y78-Y81 AromaticContact CE1-CD1 3.8Å; Y78-Y81 HydrophobicContact CE1-CD1 3.8Å; Y78-Y81 AromaticContact CE1-CE1 3.54Å; Y78-Y81 HydrophobicContact CE1-CE1 3.54Å; Y78-S185 PolarHBondContact OH-O 2.9Å; Y78-S187 VanDerWaalsContact CE1-CB 3.41Å; Y78-S187 PolarHBondContact O-OG 3.39Å; Y78-S187 PolarHBondContact OH-N 2.81Å; Y78-T189 PolarHBondContact O-OG1 3.44Å; Y78-E190 HydrophobicContact CE2-CB 4.43Å; Y78-E190 WeakPolarHBondContact CE2-OE2 3.49Å; Y78-E190 VanDerWaalsContact CZ-OE2 3.27Å; Y78-E190 PolarHBondContact OH-OE2 3.01Å; Y78-D232 PolarHBondContact N-OD2 2.79Å; Y78-R243 HydrophobicContact CD1-CB 4.16Å; Y78-R243 HydrophobicContact CD1-CG 3.75Å; Y78-R243 HydrophobicContact CE1-CG 4.35Å; Y78-R243 HydrophobicContact CG-CB 4.25Å; Y78-R243 HydrophobicContact CG-CG 4.34Å; Y78-Q246 HydrophobicContact CD2-CB 3.88Å; Y78-Q246 HydrophobicContact CE2-CB 3.7Å; Y78-I247 HydrophobicContact CD2-CB 4.05Å | ||
| 79 | G | 80.8 | Confident | 85.1 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | trans | 118.9 | -169.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D232 R243 | G79-D232 PolarHBondContact N-OD2 3.15Å; G79-R243 VanDerWaalsContact O-CD 3.29Å; G79-R243 WeakPolarHBondContact O-CD 3.1Å; G79-R243 PolarHBondContact O-NH1 3.31Å | ||
| 80 | E | 76.3 | Confident | 85 | Confident | 105 Ų | 105 | 38.1 Ų | 38.1 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -88.7 | 152.6 | 164.5 | -66.1 | 178.2 | 179.2 | 0 | 0 | 109.3 | R156 S187 | E80-R156 IonicContact OE2-CZ 3.84Å; E80-R156 VanDerWaalsContact OE2-CZ 3.22Å; E80-R156 IonicContact OE2-NH1 2.71Å; E80-R156 PolarHBondContact OE2-NH1 2.93Å; E80-R156 IonicContact OE2-NH2 3.15Å; E80-R156 PolarHBondContact OE2-NH2 3.03Å; E80-S187 WeakPolarHBondContact O-CB 3.36Å |
| 81 | Y | 81.2 | Confident | 84.8 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 148.6 | 166.2 | -53.7 | -52.1 | 0 | 0 | 0 | 110.3 | Y78 H160 S185 L186 R243 Q246 | Y78-Y81 HydrophobicContact CD1-CE1 4.27Å; Y78-Y81 AromaticContact CE1-CD1 3.8Å; Y78-Y81 HydrophobicContact CE1-CD1 3.8Å; Y78-Y81 AromaticContact CE1-CE1 3.54Å; Y78-Y81 HydrophobicContact CE1-CE1 3.54Å; Y81-H160 PolarHBondContact O-CE1 2.79Å; Y81-H160 PolarHBondContact O-NE2 2.85Å; Y81-S185 WeakPolarHBondContact CD1-O 3.31Å; Y81-S185 WeakPolarHBondContact CE1-O 3.35Å; Y81-L186 WeakPolarHBondContact CA-O 3.5Å; Y81-R243 HydrophobicContact CE1-CG 3.96Å; Y81-R243 HydrophobicContact CE2-CG 4.46Å; Y81-R243 VanDerWaalsContact OH-CG 3.29Å; Y81-R243 WeakPolarHBondContact OH-CG 3.33Å; Y81-Q246 PolarHBondContact OH-OE1 2.78Å |
| 82 | E | 78.1 | Confident | 84.7 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 15% | 0.145 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -78 | 153.8 | 173.8 | -155.3 | -177.3 | 157.5 | 0 | 0 | 111.2 | P51 Y55 H160 L186 V188 | P51-E82 WeakPolarHBondContact CB-OE1 3.16Å; P51-E82 HydrophobicContact CG-CG 4.43Å; P51-E82 WeakPolarHBondContact CG-OE1 3.35Å; Y55-E82 PolarHBondContact OH-OE2 3.33Å; E82-H160 PolarHBondContact N-CE1 3.41Å; E82-H160 PolarHBondContact O-CE1 2.72Å; E82-L186 PolarHBondContact N-O 2.77Å; E82-V188 HydrophobicContact CB-CG2 4.29Å; E82-V188 HydrophobicContact CG-CG2 4.08Å |
| 83 | I | 81.2 | Confident | 84.6 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -94.9 | 116.2 | 160.8 | -71.2 | -163.7 | 0 | 0 | 0 | 105.9 | F85 Y117 L130 W152 R156 M159 H160 | I83-F85 PolarHBondContact O-N 3.47Å; I83-Y117 HydrophobicContact CG2-CE2 4.29Å; I83-Y117 WeakPolarHBondContact CG2-OH 3.45Å; I83-L130 HydrophobicContact CG2-CD2 4.24Å; I83-W152 HydrophobicContact CD1-CH2 4.27Å; I83-R156 HydrophobicContact CD1-CB 4.29Å; I83-R156 HydrophobicContact CD1-CG 3.75Å; I83-M159 HydrophobicContact CD1-CB 3.94Å; I83-M159 HydrophobicContact CD1-CE 4.25Å; I83-H160 VanDerWaalsContact CG1-CE1 3.49Å; I83-H160 WeakPolarHBondContact CG1-CE1 3.42Å; I83-H160 PolarHBondContact N-CE1 2.56Å; I83-H160 VanDerWaalsContact N-CE1 3.27Å |
| 84 | P | 81.6 | Confident | 84.4 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 125.3 | -175.4 | -27.4 | 36.2 | 0 | 0 | 0 | 112.6 | T86 I87 Y117 K183 Y184 | P84-T86 PolarHBondContact O-N 2.78Å; P84-I87 HydrophobicContact CB-CG1 4.46Å; P84-Y117 WeakPolarHBondContact O-CE1 3.24Å; P84-Y117 PolarHBondContact O-OH 2.77Å; P84-K183 HydrophobicContact CG-CG 4.43Å; P84-Y184 HydrophobicContact CG-CD1 3.8Å; P84-Y184 HydrophobicContact CG-CE1 3.93Å |
| 85 | F | 81.3 | Confident | 84.3 | Confident | 44 Ų | 44 | 37.5 Ų | 37.5 | 19% | 0.193 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -59.3 | -31.9 | -178.9 | -179.2 | -101.3 | 0 | 0 | 0 | 113.2 | H48 L49 I83 H129 L130 | H48-F85 HydrophobicContact CB-CD2 4Å; H48-F85 HydrophobicContact CB-CE2 4.31Å; L49-F85 HydrophobicContact CD2-CD1 4.5Å; L49-F85 HydrophobicContact CD2-CD2 4.29Å; L49-F85 HydrophobicContact CD2-CE1 3.99Å; L49-F85 HydrophobicContact CD2-CE2 3.74Å; L49-F85 HydrophobicContact CD2-CZ 3.58Å; L49-F85 HydrophobicContact CG-CE2 4.49Å; I83-F85 PolarHBondContact O-N 3.47Å; F85-H129 AromaticContact CE1-ND1 3.93Å; F85-L130 HydrophobicContact CD2-CB 4.12Å; F85-L130 HydrophobicContact CE2-CB 4.47Å; F85-L130 WeakPolarHBondContact O-CB 3.33Å; F85-L130 PolarHBondContact O-N 3.33Å |
| 86 | T | 82.5 | Confident | 84.2 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 40% | 0.399 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.6 | 172.3 | 46.7 | 0 | 0 | 0 | 0 | 112 | P84 Y128 | P84-T86 PolarHBondContact O-N 2.78Å; T86-Y128 WeakPolarHBondContact CA-O 3.18Å |
| 87 | I | 85.9 | Confident | 84 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.1 | 170.4 | -57 | 177.4 | 0 | 0 | 0 | 107 | P84 E91 M92 I95 Y117 Y128 Y184 | P84-I87 HydrophobicContact CB-CG1 4.46Å; I87-E91 HydrophobicContact CG2-CB 3.86Å; I87-M92 HydrophobicContact CB-CB 4.4Å; I87-M92 HydrophobicContact CD1-SD 4.46Å; I87-M92 HydrophobicContact CG2-CB 3.78Å; I87-I95 HydrophobicContact CG2-CD1 4.49Å; I87-Y117 HydrophobicContact CD1-CD1 4.47Å; I87-Y117 HydrophobicContact CD1-CE1 3.8Å; I87-Y117 HydrophobicContact CD1-CE2 4.12Å; I87-Y117 HydrophobicContact CG1-CE1 3.92Å; I87-Y128 PolarHBondContact N-O 3.17Å; I87-Y128 PolarHBondContact O-N 2.92Å; I87-Y184 HydrophobicContact CD1-CE1 4.16Å; I87-Y184 HydrophobicContact CG1-CE1 4.44Å; I87-Y184 WeakPolarHBondContact CG2-OH 3.33Å |
| 88 | N | 85.6 | Confident | 83.9 | Confident | 64 Ų | 64 | 40.4 Ų | 40.4 | 34% | 0.342 | 20% | 0.201 | S | C | . | . | trans | -69.5 | 158.9 | 176.2 | 66 | 44.6 | 0 | 0 | 0 | 110.9 | Y90 E91 M92 | N88-Y90 VanDerWaalsContact C-N 3.31Å; N88-Y90 PolarHBondContact O-N 2.78Å; N88-Y90 PolarHBondContact OD1-N 2.92Å; N88-E91 PolarHBondContact ND2-OE1 3.13Å; N88-E91 PolarHBondContact O-N 2.77Å; N88-E91 WeakPolarHBondContact OD1-CB 3.38Å; N88-E91 WeakPolarHBondContact OD1-CG 3.19Å; N88-E91 PolarHBondContact OD1-N 2.76Å; N88-M92 WeakPolarHBondContact O-CB 3.46Å; N88-M92 PolarHBondContact O-N 3.15Å | ||
| 89 | S | 84.2 | Confident | 83.9 | Confident | 54 Ų | 54 | 40.8 Ų | 40.8 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.3 | -42 | -176.6 | 47.9 | 0 | 0 | 0 | 0 | 113 | M92 E93 | S89-M92 PolarHBondContact O-N 2.97Å; S89-E93 WeakPolarHBondContact O-CG 3.4Å; S89-E93 PolarHBondContact O-N 2.82Å |
| 90 | Y | 85.3 | Confident | 84.1 | Confident | 140 Ų | 140 | 46.4 Ų | 46.4 | 55% | 0.549 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.2 | -52.2 | 179.8 | 179.9 | -108.6 | 0 | 0 | 0 | 113.2 | N88 M92 L94 | N88-Y90 VanDerWaalsContact C-N 3.31Å; N88-Y90 PolarHBondContact O-N 2.78Å; N88-Y90 PolarHBondContact OD1-N 2.92Å; Y90-M92 VanDerWaalsContact C-N 3.34Å; Y90-M92 PolarHBondContact O-N 2.82Å; Y90-L94 HydrophobicContact CD1-CD1 4.03Å; Y90-L94 HydrophobicContact CE1-CD1 3.51Å; Y90-L94 HydrophobicContact CE1-CG 4.48Å; Y90-L94 HydrophobicContact CE2-CD1 4.39Å; Y90-L94 WeakPolarHBondContact O-CG 3.3Å; Y90-L94 PolarHBondContact O-N 2.8Å |
| 91 | E | 86.8 | Confident | 84.5 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 177.9 | -71.8 | 175.4 | -124.6 | 0 | 0 | 112 | I87 N88 L94 I95 I176 K183 Y184 | I87-E91 HydrophobicContact CG2-CB 3.86Å; N88-E91 PolarHBondContact ND2-OE1 3.13Å; N88-E91 PolarHBondContact O-N 2.77Å; N88-E91 WeakPolarHBondContact OD1-CB 3.38Å; N88-E91 WeakPolarHBondContact OD1-CG 3.19Å; N88-E91 PolarHBondContact OD1-N 2.76Å; E91-L94 WeakPolarHBondContact O-CB 3.16Å; E91-L94 PolarHBondContact O-N 3.39Å; E91-I95 WeakPolarHBondContact O-CB 3.28Å; E91-I95 VanDerWaalsContact O-CG1 3.24Å; E91-I95 WeakPolarHBondContact O-CG1 3.45Å; E91-I95 PolarHBondContact O-N 3.17Å; E91-I176 HydrophobicContact CB-CD1 4.36Å; E91-I176 HydrophobicContact CG-CD1 3.94Å; E91-I176 HydrophobicContact CG-CG1 4.37Å; E91-K183 IonicContact OE1-NZ 2.69Å; E91-K183 PolarHBondContact OE1-NZ 3.36Å; E91-K183 WeakPolarHBondContact OE2-CE 3.45Å; E91-K183 IonicContact OE2-NZ 3.17Å; E91-K183 PolarHBondContact OE2-NZ 2.98Å; E91-Y184 WeakPolarHBondContact OE2-CE2 3.14Å; E91-Y184 PolarHBondContact OE2-OH 3.05Å |
| 92 | M | 87.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | -179.6 | -175.8 | 48.3 | 141.5 | 0 | 0 | 111.8 | I87 N88 S89 Y90 L94 I95 K96 L113 Y117 Y128 | I87-M92 HydrophobicContact CB-CB 4.4Å; I87-M92 HydrophobicContact CD1-SD 4.46Å; I87-M92 HydrophobicContact CG2-CB 3.78Å; N88-M92 WeakPolarHBondContact O-CB 3.46Å; N88-M92 PolarHBondContact O-N 3.15Å; S89-M92 PolarHBondContact O-N 2.97Å; Y90-M92 VanDerWaalsContact C-N 3.34Å; Y90-M92 PolarHBondContact O-N 2.82Å; M92-L94 VanDerWaalsContact C-N 3.33Å; M92-L94 PolarHBondContact O-N 3.42Å; M92-I95 PolarHBondContact O-N 2.8Å; M92-K96 HydrophobicContact CG-CD 4.27Å; M92-K96 WeakPolarHBondContact O-CB 3.35Å; M92-K96 VanDerWaalsContact O-CG 3.29Å; M92-K96 WeakPolarHBondContact O-CG 3.28Å; M92-K96 PolarHBondContact O-N 2.81Å; M92-K96 HydrophobicContact SD-CD 4.44Å; M92-K96 HydrophobicContact SD-CG 4.14Å; M92-L113 HydrophobicContact CE-CB 4.18Å; M92-L113 HydrophobicContact CE-CD2 3.92Å; M92-L113 WeakPolarHBondContact CE-O 3.39Å; M92-L113 HydrophobicContact SD-CD2 4.4Å; M92-Y117 HydrophobicContact CE-CD1 4.27Å; M92-Y117 HydrophobicContact CE-CD2 3.63Å; M92-Y117 HydrophobicContact CE-CE2 4.46Å; M92-Y117 HydrophobicContact CE-CG 3.48Å; M92-Y117 VanDerWaalsContact CE-CG 3.48Å; M92-Y128 HydrophobicContact CB-CD2 3.39Å; M92-Y128 HydrophobicContact CB-CE2 3.73Å; M92-Y128 HydrophobicContact CB-CG 4.02Å; M92-Y128 HydrophobicContact CG-CD1 4.1Å; M92-Y128 HydrophobicContact CG-CD2 3.4Å; M92-Y128 VanDerWaalsContact CG-CD2 3.4Å; M92-Y128 HydrophobicContact CG-CE1 4.3Å; M92-Y128 HydrophobicContact CG-CE2 3.6Å; M92-Y128 HydrophobicContact CG-CG 3.64Å |
| 93 | E | 87.7 | Confident | 84.4 | Confident | 95 Ų | 95 | 55 Ų | 55 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 172 | -64.4 | -45.5 | 136.4 | 0 | 0 | 111.1 | S89 I95 K96 D97 Y128 | S89-E93 WeakPolarHBondContact O-CG 3.4Å; S89-E93 PolarHBondContact O-N 2.82Å; E93-I95 PolarHBondContact O-N 2.95Å; E93-K96 PolarHBondContact O-N 2.76Å; E93-D97 VanDerWaalsContact O-CB 3.27Å; E93-D97 WeakPolarHBondContact O-CB 3.25Å; E93-D97 PolarHBondContact O-N 3.12Å; E93-Y128 WeakPolarHBondContact OE1-CE2 3.42Å; E93-Y128 PolarHBondContact OE1-OH 3.47Å |
| 94 | L | 87 | Confident | 84.1 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 173.3 | -76.4 | 176.4 | 0 | 0 | 0 | 112.8 | Y90 E91 M92 D97 W98 L170 L175 I176 | Y90-L94 HydrophobicContact CD1-CD1 4.03Å; Y90-L94 HydrophobicContact CE1-CD1 3.51Å; Y90-L94 HydrophobicContact CE1-CG 4.48Å; Y90-L94 HydrophobicContact CE2-CD1 4.39Å; Y90-L94 WeakPolarHBondContact O-CG 3.3Å; Y90-L94 PolarHBondContact O-N 2.8Å; E91-L94 WeakPolarHBondContact O-CB 3.16Å; E91-L94 PolarHBondContact O-N 3.39Å; M92-L94 VanDerWaalsContact C-N 3.33Å; M92-L94 PolarHBondContact O-N 3.42Å; L94-D97 PolarHBondContact O-N 2.82Å; L94-W98 WeakPolarHBondContact O-CB 3.22Å; L94-W98 VanDerWaalsContact O-CD1 3.26Å; L94-W98 PolarHBondContact O-N 3.03Å; L94-L170 HydrophobicContact CB-CD1 4.23Å; L94-L170 HydrophobicContact CB-CD2 4.44Å; L94-L175 HydrophobicContact CD1-CB 4.19Å; L94-L175 HydrophobicContact CD2-CD1 4.33Å; L94-I176 HydrophobicContact CD1-CG1 4.08Å |
| 95 | I | 87.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | -179.9 | -68 | 163.1 | 0 | 0 | 0 | 110.1 | I87 E91 M92 E93 D97 W98 S99 L113 I166 I167 L170 Y184 | I87-I95 HydrophobicContact CG2-CD1 4.49Å; E91-I95 WeakPolarHBondContact O-CB 3.28Å; E91-I95 VanDerWaalsContact O-CG1 3.24Å; E91-I95 WeakPolarHBondContact O-CG1 3.45Å; E91-I95 PolarHBondContact O-N 3.17Å; M92-I95 PolarHBondContact O-N 2.8Å; E93-I95 PolarHBondContact O-N 2.95Å; I95-D97 PolarHBondContact O-N 2.83Å; I95-W98 PolarHBondContact O-N 2.56Å; I95-S99 VanDerWaalsContact O-CB 3.32Å; I95-S99 WeakPolarHBondContact O-CB 3.3Å; I95-S99 PolarHBondContact O-N 2.65Å; I95-L113 HydrophobicContact CG2-CD1 3.79Å; I95-I166 HydrophobicContact CG1-CG2 4.29Å; I95-I166 HydrophobicContact CG2-CD1 3.96Å; I95-I166 HydrophobicContact CG2-CG2 4.45Å; I95-I167 HydrophobicContact CD1-CD1 4.03Å; I95-I167 HydrophobicContact CG1-CD1 4.16Å; I95-L170 HydrophobicContact CG1-CD1 4.09Å; I95-Y184 HydrophobicContact CD1-CE1 3.98Å |
| 96 | K | 86 | Confident | 84 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -48.9 | 173.3 | -77.8 | 178.2 | 179.5 | -175.5 | 0 | 111.7 | M92 E93 S99 F110 Y128 | M92-K96 HydrophobicContact CG-CD 4.27Å; M92-K96 WeakPolarHBondContact O-CB 3.35Å; M92-K96 VanDerWaalsContact O-CG 3.29Å; M92-K96 WeakPolarHBondContact O-CG 3.28Å; M92-K96 PolarHBondContact O-N 2.81Å; M92-K96 HydrophobicContact SD-CD 4.44Å; M92-K96 HydrophobicContact SD-CG 4.14Å; E93-K96 PolarHBondContact O-N 2.76Å; K96-S99 PolarHBondContact O-OG 2.85Å; K96-F110 HydrophobicContact CB-CD2 4.42Å; K96-F110 HydrophobicContact CB-CE2 3.91Å; K96-F110 HydrophobicContact CD-CE2 4.43Å; K96-F110 HydrophobicContact CG-CD2 4.43Å; K96-F110 HydrophobicContact CG-CE2 3.93Å; K96-Y128 PolarHBondContact NZ-OH 3.3Å |
| 97 | D | 86.4 | Confident | 84 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 43% | 0.428 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | -176.2 | -139 | 31.1 | 0 | 0 | 0 | 112.1 | E93 L94 I95 K100 K101 | E93-D97 VanDerWaalsContact O-CB 3.27Å; E93-D97 WeakPolarHBondContact O-CB 3.25Å; E93-D97 PolarHBondContact O-N 3.12Å; L94-D97 PolarHBondContact O-N 2.82Å; I95-D97 PolarHBondContact O-N 2.83Å; D97-K100 PolarHBondContact O-N 3.22Å; D97-K101 WeakPolarHBondContact O-CD 3.24Å; D97-K101 VanDerWaalsContact O-CG 3.28Å; D97-K101 WeakPolarHBondContact O-CG 3.47Å; D97-K101 PolarHBondContact O-N 2.86Å; D97-K101 WeakPolarHBondContact OD2-CE 3.19Å; D97-K101 IonicContact OD2-NZ 2.74Å; D97-K101 PolarHBondContact OD2-NZ 2.81Å |
| 98 | W | 85 | Confident | 83.9 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -80.2 | -26.6 | 179.1 | -78.4 | 81.5 | 0 | 0 | 0 | 113.9 | L94 I95 K100 K101 I102 I166 V169 L170 Q173 L175 | L94-W98 WeakPolarHBondContact O-CB 3.22Å; L94-W98 VanDerWaalsContact O-CD1 3.26Å; L94-W98 PolarHBondContact O-N 3.03Å; I95-W98 PolarHBondContact O-N 2.56Å; W98-K100 PolarHBondContact O-N 2.84Å; W98-K101 HydrophobicContact CD2-CD 4.35Å; W98-K101 HydrophobicContact CG-CD 4.46Å; W98-K101 PolarHBondContact O-N 3.04Å; W98-K101 VanDerWaalsContact O-N 3.07Å; W98-I102 HydrophobicContact CB-CD1 4.38Å; W98-I102 HydrophobicContact CE3-CD1 4.08Å; W98-I102 HydrophobicContact CE3-CG1 4Å; W98-I102 PolarHBondContact O-N 3.48Å; W98-I166 HydrophobicContact CB-CG2 4.12Å; W98-V169 HydrophobicContact CE3-CG1 3.85Å; W98-V169 HydrophobicContact CH2-CG1 4.34Å; W98-V169 HydrophobicContact CZ3-CG1 3.57Å; W98-L170 HydrophobicContact CB-CD2 4.29Å; W98-L170 VanDerWaalsContact CD1-CD2 3.42Å; W98-L170 HydrophobicContact CD2-CD2 3.96Å; W98-L170 HydrophobicContact CG-CD2 3.64Å; W98-Q173 HydrophobicContact CH2-CG 3.84Å; W98-Q173 HydrophobicContact CZ2-CG 4.21Å; W98-L175 HydrophobicContact CZ2-CD1 3.69Å |
| 99 | S | 84.9 | Confident | 83.9 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.5 | -29.5 | 169.3 | 77.4 | 0 | 0 | 0 | 0 | 112.9 | I95 K96 F110 | I95-S99 VanDerWaalsContact O-CB 3.32Å; I95-S99 WeakPolarHBondContact O-CB 3.3Å; I95-S99 PolarHBondContact O-N 2.65Å; K96-S99 PolarHBondContact O-OG 2.85Å; S99-F110 WeakPolarHBondContact OG-CD2 3.44Å |
| 100 | K | 84.4 | Confident | 84 | Confident | 133 Ų | 133 | 60.8 Ų | 60.8 | 58% | 0.578 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -86 | -24.8 | 175.9 | -67.6 | 170.6 | 178 | 164.7 | 0 | 113.6 | D97 W98 F110 | D97-K100 PolarHBondContact O-N 3.22Å; W98-K100 PolarHBondContact O-N 2.84Å; K100-F110 HydrophobicContact CD-CE2 4.4Å; K100-F110 VanDerWaalsContact CE-CE1 3.47Å; K100-F110 HydrophobicContact CG-CD2 4.43Å; K100-F110 VanDerWaalsContact NZ-CE2 3.33Å |
| 101 | K | 83.4 | Confident | 84.1 | Confident | 113 Ų | 113 | 59.7 Ų | 59.7 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -88.5 | -33.1 | -175.5 | -69.4 | 165.4 | -170.2 | 172.2 | 0 | 113.4 | D97 W98 Q103 | D97-K101 WeakPolarHBondContact O-CD 3.24Å; D97-K101 VanDerWaalsContact O-CG 3.28Å; D97-K101 WeakPolarHBondContact O-CG 3.47Å; D97-K101 PolarHBondContact O-N 2.86Å; D97-K101 WeakPolarHBondContact OD2-CE 3.19Å; D97-K101 IonicContact OD2-NZ 2.74Å; D97-K101 PolarHBondContact OD2-NZ 2.81Å; W98-K101 HydrophobicContact CD2-CD 4.35Å; W98-K101 HydrophobicContact CG-CD 4.46Å; W98-K101 PolarHBondContact O-N 3.04Å; W98-K101 VanDerWaalsContact O-N 3.07Å; K101-Q103 PolarHBondContact O-N 2.84Å |
| 102 | I | 82.8 | Confident | 84.2 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 20% | 0.195 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -83.5 | 112 | -176.4 | -62.7 | 164 | 0 | 0 | 0 | 110.1 | W98 G104 I105 I166 V169 | W98-I102 HydrophobicContact CB-CD1 4.38Å; W98-I102 HydrophobicContact CE3-CD1 4.08Å; W98-I102 HydrophobicContact CE3-CG1 4Å; W98-I102 PolarHBondContact O-N 3.48Å; I102-G104 PolarHBondContact O-N 2.88Å; I102-I105 HydrophobicContact CB-CD1 3.71Å; I102-I105 HydrophobicContact CB-CG1 4.19Å; I102-I105 HydrophobicContact CD1-CD1 4.01Å; I102-I105 HydrophobicContact CG1-CD1 4.44Å; I102-I105 HydrophobicContact CG2-CD1 3.96Å; I102-I105 HydrophobicContact CG2-CG1 4.02Å; I102-I166 HydrophobicContact CD1-CG1 4.22Å; I102-V169 HydrophobicContact CD1-CB 4.18Å; I102-V169 HydrophobicContact CD1-CG1 4.29Å; I102-V169 HydrophobicContact CD1-CG2 4.17Å |
| 103 | Q | 75.2 | Confident | 84.1 | Confident | 198 Ų | 198 | 59.7 Ų | 59.7 | 93% | 0.925 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 118 | 172.8 | -67.8 | -174.9 | -5.9 | 0 | 0 | 110.6 | K101 | K101-Q103 PolarHBondContact O-N 2.84Š|
| 104 | G | 75.8 | Confident | 84 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 71% | 0.711 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.9 | -22.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I102 | I102-G104 PolarHBondContact O-N 2.88Š|
| 105 | I | 80 | Confident | 83.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -70.4 | 138.6 | 173.7 | -61.5 | 178.4 | 0 | 0 | 0 | 109.4 | I102 C109 Q165 I166 | I102-I105 HydrophobicContact CB-CD1 3.71Å; I102-I105 HydrophobicContact CB-CG1 4.19Å; I102-I105 HydrophobicContact CD1-CD1 4.01Å; I102-I105 HydrophobicContact CG1-CD1 4.44Å; I102-I105 HydrophobicContact CG2-CD1 3.96Å; I102-I105 HydrophobicContact CG2-CG1 4.02Å; I105-C109 HydrophobicContact CG2-CB 3.91Å; I105-Q165 HydrophobicContact CD1-CB 4.45Å; I105-Q165 HydrophobicContact CG1-CB 4.31Å; I105-I166 HydrophobicContact CD1-CD1 3.89Å; I105-I166 HydrophobicContact CD1-CG1 3.39Å |
| 106 | S | 80 | Confident | 84 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 42% | 0.42 | 32% | 0.322 | S | S | . | . | trans | -71.4 | 133.1 | 174.9 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | K108 C109 | S106-K108 PolarHBondContact O-N 2.86Å; S106-K108 VanDerWaalsContact O-N 3.11Å; S106-C109 VanDerWaalsContact O-CB 3.29Å; S106-C109 WeakPolarHBondContact O-CB 3.39Å; S106-C109 PolarHBondContact O-N 2.82Å | ||
| 107 | P | 82.9 | Confident | 84.1 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.9 | -28.2 | 177.4 | 22.8 | -32.9 | 0 | 0 | 0 | 112.8 | C109 F110 E111 | P107-C109 PolarHBondContact O-N 3.03Å; P107-C109 VanDerWaalsContact O-N 3.1Å; P107-F110 WeakPolarHBondContact O-CB 3.47Å; P107-F110 PolarHBondContact O-N 3.44Å; P107-E111 PolarHBondContact O-N 3.36Å; P107-E111 VanDerWaalsContact O-N 3.14Å |
| 108 | K | 84.1 | Confident | 84.1 | Confident | 103 Ų | 103 | 60.6 Ų | 60.6 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -52.4 | -28.8 | 169.8 | -77.6 | -164.1 | 158.7 | -138.8 | 0 | 114.6 | S106 F110 E111 A112 A158 | S106-K108 PolarHBondContact O-N 2.86Å; S106-K108 VanDerWaalsContact O-N 3.11Å; K108-F110 VanDerWaalsContact C-N 3.33Å; K108-E111 WeakPolarHBondContact CA-OE2 3.25Å; K108-A112 WeakPolarHBondContact O-CB 3.44Å; K108-A112 PolarHBondContact O-N 2.83Å; K108-A158 HydrophobicContact CB-CB 4.08Å |
| 109 | C | 86 | Confident | 84.1 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 175.6 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | I105 S106 P107 L113 | I105-C109 HydrophobicContact CG2-CB 3.91Å; S106-C109 VanDerWaalsContact O-CB 3.29Å; S106-C109 WeakPolarHBondContact O-CB 3.39Å; S106-C109 PolarHBondContact O-N 2.82Å; P107-C109 PolarHBondContact O-N 3.03Å; P107-C109 VanDerWaalsContact O-N 3.1Å; C109-L113 WeakPolarHBondContact O-CB 3.24Å; C109-L113 WeakPolarHBondContact O-CD1 3.47Å; C109-L113 WeakPolarHBondContact O-CG 3.24Å; C109-L113 PolarHBondContact O-N 3.27Å; C109-L113 VanDerWaalsContact O-N 3.1Å |
| 110 | F | 85.9 | Confident | 84.2 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.6 | -44.7 | 176.2 | -179.7 | -100 | 0 | 0 | 0 | 111.1 | K96 S99 K100 P107 K108 A112 L113 E114 | K96-F110 HydrophobicContact CB-CD2 4.42Å; K96-F110 HydrophobicContact CB-CE2 3.91Å; K96-F110 HydrophobicContact CD-CE2 4.43Å; K96-F110 HydrophobicContact CG-CD2 4.43Å; K96-F110 HydrophobicContact CG-CE2 3.93Å; S99-F110 WeakPolarHBondContact OG-CD2 3.44Å; K100-F110 HydrophobicContact CD-CE2 4.4Å; K100-F110 VanDerWaalsContact CE-CE1 3.47Å; K100-F110 HydrophobicContact CG-CD2 4.43Å; K100-F110 VanDerWaalsContact NZ-CE2 3.33Å; P107-F110 WeakPolarHBondContact O-CB 3.47Å; P107-F110 PolarHBondContact O-N 3.44Å; K108-F110 VanDerWaalsContact C-N 3.33Å; F110-A112 VanDerWaalsContact C-N 3.32Å; F110-A112 PolarHBondContact O-N 3.37Å; F110-L113 PolarHBondContact O-N 3.34Å; F110-L113 VanDerWaalsContact O-N 3.12Å; F110-E114 HydrophobicContact CE1-CG 3.91Å; F110-E114 WeakPolarHBondContact CE1-OE2 3.39Å; F110-E114 HydrophobicContact CE2-CG 4.1Å; F110-E114 HydrophobicContact CZ-CG 3.6Å; F110-E114 WeakPolarHBondContact CZ-OE1 3.37Å; F110-E114 WeakPolarHBondContact CZ-OE2 3.4Å; F110-E114 PolarHBondContact O-N 2.72Å |
| 111 | E | 87.2 | Confident | 84.3 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 175.7 | -64.1 | 166.2 | 175.2 | 0 | 0 | 111.5 | P107 K108 E114 E115 | P107-E111 PolarHBondContact O-N 3.36Å; P107-E111 VanDerWaalsContact O-N 3.14Å; K108-E111 WeakPolarHBondContact CA-OE2 3.25Å; E111-E114 PolarHBondContact O-N 3.22Å; E111-E115 PolarHBondContact O-N 3.15Å |
| 112 | A | 88.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K108 F110 E114 W116 D155 M159 | K108-A112 WeakPolarHBondContact O-CB 3.44Å; K108-A112 PolarHBondContact O-N 2.83Å; F110-A112 VanDerWaalsContact C-N 3.32Å; F110-A112 PolarHBondContact O-N 3.37Å; A112-E114 VanDerWaalsContact C-N 3.31Å; A112-E114 PolarHBondContact O-N 2.78Å; A112-W116 WeakPolarHBondContact O-CB 3.49Å; A112-W116 PolarHBondContact O-N 3.1Å; A112-D155 HydrophobicContact CB-CB 3.84Å; A112-M159 HydrophobicContact CB-CE 4.16Å; A112-M159 HydrophobicContact CB-CG 3.65Å; A112-M159 HydrophobicContact CB-SD 3.98Å |
| 113 | L | 87.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.2 | -19.8 | 177.1 | -73.1 | 167.3 | 0 | 0 | 0 | 113.4 | M92 I95 C109 F110 Y117 M159 | M92-L113 HydrophobicContact CE-CB 4.18Å; M92-L113 HydrophobicContact CE-CD2 3.92Å; M92-L113 WeakPolarHBondContact CE-O 3.39Å; M92-L113 HydrophobicContact SD-CD2 4.4Å; I95-L113 HydrophobicContact CG2-CD1 3.79Å; C109-L113 WeakPolarHBondContact O-CB 3.24Å; C109-L113 WeakPolarHBondContact O-CD1 3.47Å; C109-L113 WeakPolarHBondContact O-CG 3.24Å; C109-L113 PolarHBondContact O-N 3.27Å; C109-L113 VanDerWaalsContact O-N 3.1Å; F110-L113 PolarHBondContact O-N 3.34Å; F110-L113 VanDerWaalsContact O-N 3.12Å; L113-Y117 HydrophobicContact CD2-CD2 3.91Å; L113-Y117 HydrophobicContact CD2-CE2 3.95Å; L113-M159 HydrophobicContact CD2-CG 4.24Å; L113-M159 HydrophobicContact CD2-SD 3.87Å; L113-M159 HydrophobicContact CG-CG 4.19Å; L113-M159 HydrophobicContact CG-SD 4.22Å |
| 114 | E | 85.2 | Confident | 84.8 | Confident | 105 Ų | 105 | 47.6 Ų | 47.6 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -87.6 | -37.2 | 170.1 | -70.4 | -160.8 | 136.3 | 0 | 0 | 113 | F110 E111 A112 | F110-E114 HydrophobicContact CE1-CG 3.91Å; F110-E114 WeakPolarHBondContact CE1-OE2 3.39Å; F110-E114 HydrophobicContact CE2-CG 4.1Å; F110-E114 HydrophobicContact CZ-CG 3.6Å; F110-E114 WeakPolarHBondContact CZ-OE1 3.37Å; F110-E114 WeakPolarHBondContact CZ-OE2 3.4Å; F110-E114 PolarHBondContact O-N 2.72Å; E111-E114 PolarHBondContact O-N 3.22Å; A112-E114 VanDerWaalsContact C-N 3.31Å; A112-E114 PolarHBondContact O-N 2.78Å |
| 115 | E | 85.4 | Confident | 84.9 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 34% | 0.341 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.1 | -42.7 | 179 | 179.8 | 74.7 | 166.6 | 0 | 0 | 112.9 | E111 R151 | E111-E115 PolarHBondContact O-N 3.15Å; E115-R151 IonicContact OE1-CZ 3.19Å; E115-R151 IonicContact OE1-NH1 2.8Å; E115-R151 PolarHBondContact OE1-NH1 3.22Å; E115-R151 IonicContact OE1-NH2 2.68Å; E115-R151 PolarHBondContact OE1-NH2 2.92Å |
| 116 | W | 87.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -95.7 | -16.3 | -169.2 | -66.7 | 107.9 | 0 | 0 | 0 | 114.8 | A112 L130 K131 R151 W152 D155 M159 | A112-W116 WeakPolarHBondContact O-CB 3.49Å; A112-W116 PolarHBondContact O-N 3.1Å; W116-L130 HydrophobicContact CB-CD1 4.08Å; W116-K131 WeakPolarHBondContact O-CB 3.22Å; W116-K131 PolarHBondContact O-N 3.02Å; W116-R151 HydrophobicContact CZ2-CG 4.42Å; W116-W152 HydrophobicContact CB-CZ3 4.18Å; W116-W152 AromaticContact CD2-CE3 3.73Å; W116-W152 HydrophobicContact CD2-CE3 3.73Å; W116-W152 HydrophobicContact CD2-CZ3 4.01Å; W116-W152 AromaticContact CE2-CE3 3.92Å; W116-W152 HydrophobicContact CE3-CE3 4.02Å; W116-W152 HydrophobicContact CE3-CZ3 4.35Å; W116-W152 HydrophobicContact CG-CE3 4.05Å; W116-W152 AromaticContact CG-CZ3 3.91Å; W116-W152 HydrophobicContact CG-CZ3 3.91Å; W116-W152 HydrophobicContact CH2-CB 4.4Å; W116-W152 HydrophobicContact CZ2-CB 4.24Å; W116-W152 HydrophobicContact CZ2-CE3 4.39Å; W116-W152 HydrophobicContact CZ3-CE3 4.49Å; W116-D155 PolarHBondContact NE1-OD2 3.23Å; W116-M159 HydrophobicContact CB-CE 4.19Å; W116-M159 HydrophobicContact CG-CE 4.21Å |
| 117 | Y | 88.8 | Confident | 85 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114.1 | 178.4 | -80.9 | -83.1 | 0 | 0 | 0 | 111.9 | I83 P84 I87 M92 L113 Y128 L130 M159 | I83-Y117 HydrophobicContact CG2-CE2 4.29Å; I83-Y117 WeakPolarHBondContact CG2-OH 3.45Å; P84-Y117 WeakPolarHBondContact O-CE1 3.24Å; P84-Y117 PolarHBondContact O-OH 2.77Å; I87-Y117 HydrophobicContact CD1-CD1 4.47Å; I87-Y117 HydrophobicContact CD1-CE1 3.8Å; I87-Y117 HydrophobicContact CD1-CE2 4.12Å; I87-Y117 HydrophobicContact CG1-CE1 3.92Å; M92-Y117 HydrophobicContact CE-CD1 4.27Å; M92-Y117 HydrophobicContact CE-CD2 3.63Å; M92-Y117 HydrophobicContact CE-CE2 4.46Å; M92-Y117 HydrophobicContact CE-CG 3.48Å; M92-Y117 VanDerWaalsContact CE-CG 3.48Å; L113-Y117 HydrophobicContact CD2-CD2 3.91Å; L113-Y117 HydrophobicContact CD2-CE2 3.95Å; Y117-Y128 WeakPolarHBondContact O-CD1 3.36Å; Y117-L130 HydrophobicContact CD1-CB 4.2Å; Y117-L130 HydrophobicContact CD1-CD1 4.29Å; Y117-L130 HydrophobicContact CD2-CD1 4.01Å; Y117-L130 HydrophobicContact CE1-CB 3.86Å; Y117-L130 HydrophobicContact CE1-CD1 4.02Å; Y117-L130 HydrophobicContact CE2-CD1 3.74Å; Y117-L130 HydrophobicContact CG-CD1 4.29Å; Y117-M159 HydrophobicContact CD2-SD 4.44Å; Y117-M159 HydrophobicContact CE2-SD 4.2Å |
| 118 | L | 86.4 | Confident | 85.2 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 29% | 0.288 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.8 | -179.7 | -59.9 | 179 | 0 | 0 | 0 | 110.3 | D120 Y128 H129 K131 W654 | L118-D120 PolarHBondContact O-N 3.23Å; L118-Y128 WeakPolarHBondContact O-CA 3.46Å; L118-H129 PolarHBondContact N-O 2.73Å; L118-H129 VanDerWaalsContact N-O 3.1Å; L118-H129 PolarHBondContact O-N 2.87Å; L118-K131 HydrophobicContact CD1-CD 4.42Å; L118-K131 HydrophobicContact CD1-CG 4.47Å; L118-W654 HydrophobicContact CB-CD2 4.04Å; L118-W654 HydrophobicContact CB-CE3 3.48Å; L118-W654 VanDerWaalsContact CB-CE3 3.48Å; L118-W654 HydrophobicContact CB-CH2 4.12Å; L118-W654 HydrophobicContact CB-CZ3 3.53Å; L118-W654 HydrophobicContact CD1-CB 4.35Å; L118-W654 HydrophobicContact CD1-CD2 3.72Å; L118-W654 HydrophobicContact CD1-CE3 4.08Å; L118-W654 HydrophobicContact CD1-CG 3.86Å; L118-W654 HydrophobicContact CG-CE3 4.44Å |
| 119 | C | 85.6 | Confident | 85.3 | Confident | 38 Ų | 38 | 44.5 Ų | 44.5 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 116.4 | 175.5 | 176 | 0 | 0 | 0 | 0 | 109.3 | K121 Y128 S653 | C119-K121 PolarHBondContact O-N 2.83Å; C119-Y128 HydrophobicContact CB-CD1 3.95Å; C119-Y128 HydrophobicContact CB-CE1 3.76Å; C119-Y128 HydrophobicContact CB-CE2 4.42Å; C119-Y128 HydrophobicContact CB-CG 4.36Å; C119-Y128 VanDerWaalsContact N-CD1 3.33Å; C119-S653 PolarHBondContact O-OG 2.79Å |
| 120 | D | 87.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -90.3 | 97 | 179.6 | -171.3 | 17.2 | 0 | 0 | 0 | 110.2 | L118 N122 D123 A127 R618 K652 S653 W654 | L118-D120 PolarHBondContact O-N 3.23Å; D120-N122 PolarHBondContact O-N 3.48Å; D120-N122 VanDerWaalsContact O-N 3.16Å; D120-N122 WeakPolarHBondContact OD1-CB 3.42Å; D120-N122 PolarHBondContact OD1-N 3.41Å; D120-D123 HydrophobicContact CB-CB 4.31Å; D120-D123 VanDerWaalsContact O-CB 3.22Å; D120-D123 WeakPolarHBondContact O-CB 3.41Å; D120-D123 PolarHBondContact O-N 3.46Å; D120-A127 PolarHBondContact N-O 2.97Å; D120-R618 IonicContact OD1-NH2 3.98Å; D120-R618 IonicContact OD2-CZ 3.69Å; D120-R618 VanDerWaalsContact OD2-CZ 3.27Å; D120-R618 IonicContact OD2-NH1 3.61Å; D120-R618 PolarHBondContact OD2-NH1 2.77Å; D120-R618 IonicContact OD2-NH2 3.67Å; D120-R618 PolarHBondContact OD2-NH2 2.99Å; D120-K652 HydrophobicContact CB-CD 4.39Å; D120-K652 VanDerWaalsContact CG-CD 3.5Å; D120-K652 WeakPolarHBondContact OD1-CA 3.19Å; D120-K652 WeakPolarHBondContact OD2-CD 3.41Å; D120-K652 IonicContact OD2-NZ 2.99Å; D120-K652 PolarHBondContact OD2-NZ 3.06Å; D120-S653 PolarHBondContact OD1-N 2.86Å; D120-W654 HydrophobicContact CB-CZ3 3.87Å | ||
| 121 | K | 85 | Confident | 85.1 | Confident | 117 Ų | 117 | 45.7 Ų | 45.7 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -2.4 | 174.6 | -56.2 | -179.3 | -178.4 | 177.4 | 0 | 113.5 | C119 C619 Q621 S653 | C119-K121 PolarHBondContact O-N 2.83Å; K121-C619 PolarHBondContact O-SG 3.45Å; K121-Q621 PolarHBondContact O-NE2 2.69Å; K121-Q621 VanDerWaalsContact O-NE2 3.08Å; K121-S653 PolarHBondContact N-OG 3.25Å |
| 122 | N | 87.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8.1 | 166.7 | -71.3 | 4 | 0 | 0 | 0 | 112.1 | D120 R618 C619 Q621 Q624 W651 | D120-N122 PolarHBondContact O-N 3.48Å; D120-N122 VanDerWaalsContact O-N 3.16Å; D120-N122 WeakPolarHBondContact OD1-CB 3.42Å; D120-N122 PolarHBondContact OD1-N 3.41Å; N122-R618 VanDerWaalsContact C-NH1 3.35Å; N122-R618 CarbonylContact O-C 3.54Å; N122-R618 VanDerWaalsContact O-CA 3.25Å; N122-R618 WeakPolarHBondContact O-CA 3.43Å; N122-R618 PolarHBondContact O-NH1 3.49Å; N122-C619 WeakPolarHBondContact CA-O 3.28Å; N122-C619 WeakPolarHBondContact CB-O 3.22Å; N122-C619 PolarHBondContact O-N 2.96Å; N122-C619 PolarHBondContact OD1-O 3.3Å; N122-Q621 WeakPolarHBondContact OD1-CG 3.48Å; N122-Q621 PolarHBondContact OD1-N 3.07Å; N122-Q621 PolarHBondContact OD1-NE2 2.92Å; N122-Q624 PolarHBondContact ND2-OE1 2.92Å; N122-Q624 PolarHBondContact OD1-OE1 2.88Å; N122-W651 PolarHBondContact ND2-O 3.21Å |
| 123 | D | 82.1 | Confident | 84.4 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -84 | 127.4 | 165.3 | -167.7 | -41.5 | 0 | 0 | 0 | 108.4 | D120 N125 Q126 H129 | D120-D123 HydrophobicContact CB-CB 4.31Å; D120-D123 VanDerWaalsContact O-CB 3.22Å; D120-D123 WeakPolarHBondContact O-CB 3.41Å; D120-D123 PolarHBondContact O-N 3.46Å; D123-N125 PolarHBondContact O-N 3.13Å; D123-N125 VanDerWaalsContact O-N 3.16Å; D123-N125 WeakPolarHBondContact OD1-CB 3.42Å; D123-N125 PolarHBondContact OD1-N 2.83Å; D123-N125 PolarHBondContact OD1-ND2 3.21Å; D123-N125 VanDerWaalsContact OD1-ND2 3.07Å; D123-Q126 PolarHBondContact O-N 2.97Å; D123-H129 IonicContact OD2-CD2 2.74Å; D123-H129 IonicContact OD2-CE1 3.86Å; D123-H129 IonicContact OD2-NE2 3.73Å; D123-H129 PolarHBondContact OD2-NE2 3.34Å |
| 124 | I | 82 | Confident | 83.8 | Confident | 92 Ų | 92 | 42 Ų | 42 | 47% | 0.472 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26 | 178.8 | -70.5 | 177.3 | 0 | 0 | 0 | 111.5 | G617 | I124-G617 WeakPolarHBondContact CG1-O 3.31Å; I124-G617 PolarHBondContact N-O 3.37Å; I124-G617 VanDerWaalsContact N-O 3.08Å |
| 125 | N | 78.6 | Confident | 83.2 | Confident | 124 Ų | 124 | 38 Ų | 38 | 66% | 0.663 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3.6 | 176.3 | -50 | -79.7 | 0 | 0 | 0 | 113.5 | D123 A127 | D123-N125 PolarHBondContact O-N 3.13Å; D123-N125 VanDerWaalsContact O-N 3.16Å; D123-N125 WeakPolarHBondContact OD1-CB 3.42Å; D123-N125 PolarHBondContact OD1-N 2.83Å; D123-N125 PolarHBondContact OD1-ND2 3.21Å; D123-N125 VanDerWaalsContact OD1-ND2 3.07Å; N125-A127 VanDerWaalsContact C-N 3.29Å; N125-A127 PolarHBondContact O-N 3.17Å |
| 126 | Q | 80 | Confident | 82.2 | Confident | 105 Ų | 105 | 37 Ų | 37 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | trans | 49.9 | 46.5 | -177.3 | -56.6 | -175.2 | 17.5 | 0 | 0 | 113 | D123 | D123-Q126 PolarHBondContact O-N 2.97Š| ||
| 127 | A | 83.2 | Confident | 81.1 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 155.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D120 N125 | D120-A127 PolarHBondContact N-O 2.97Å; N125-A127 VanDerWaalsContact C-N 3.29Å; N125-A127 PolarHBondContact O-N 3.17Å |
| 128 | Y | 86.9 | Confident | 80.2 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 11% | 0.114 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.8 | 162.8 | -78.5 | -89.6 | 0 | 0 | 0 | 109.2 | T86 I87 M92 E93 K96 Y117 L118 C119 | T86-Y128 WeakPolarHBondContact CA-O 3.18Å; I87-Y128 PolarHBondContact N-O 3.17Å; I87-Y128 PolarHBondContact O-N 2.92Å; M92-Y128 HydrophobicContact CB-CD2 3.39Å; M92-Y128 HydrophobicContact CB-CE2 3.73Å; M92-Y128 HydrophobicContact CB-CG 4.02Å; M92-Y128 HydrophobicContact CG-CD1 4.1Å; M92-Y128 HydrophobicContact CG-CD2 3.4Å; M92-Y128 VanDerWaalsContact CG-CD2 3.4Å; M92-Y128 HydrophobicContact CG-CE1 4.3Å; M92-Y128 HydrophobicContact CG-CE2 3.6Å; M92-Y128 HydrophobicContact CG-CG 3.64Å; E93-Y128 WeakPolarHBondContact OE1-CE2 3.42Å; E93-Y128 PolarHBondContact OE1-OH 3.47Å; K96-Y128 PolarHBondContact NZ-OH 3.3Å; Y117-Y128 WeakPolarHBondContact O-CD1 3.36Å; L118-Y128 WeakPolarHBondContact O-CA 3.46Å; C119-Y128 HydrophobicContact CB-CD1 3.95Å; C119-Y128 HydrophobicContact CB-CE1 3.76Å; C119-Y128 HydrophobicContact CB-CE2 4.42Å; C119-Y128 HydrophobicContact CB-CG 4.36Å; C119-Y128 VanDerWaalsContact N-CD1 3.33Å |
| 129 | H | 85.3 | Confident | 79 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 7% | 0.069 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.9 | 176.2 | -74.4 | -119 | 0 | 0 | 0 | 109.1 | F85 L118 D123 K131 K652 W654 | F85-H129 AromaticContact CE1-ND1 3.93Å; L118-H129 PolarHBondContact N-O 2.73Å; L118-H129 VanDerWaalsContact N-O 3.1Å; L118-H129 PolarHBondContact O-N 2.87Å; D123-H129 IonicContact OD2-CD2 2.74Å; D123-H129 IonicContact OD2-CE1 3.86Å; D123-H129 IonicContact OD2-NE2 3.73Å; D123-H129 PolarHBondContact OD2-NE2 3.34Å; H129-K131 PolarHBondContact O-N 3.06Å; H129-K652 PolarHBondContact CE1-NZ 2.88Å; H129-K652 VanDerWaalsContact CE1-NZ 3.34Å; H129-K652 PolarHBondContact ND1-NZ 3.17Å; H129-W654 HydrophobicContact CB-CH2 4.02Å; H129-W654 HydrophobicContact CB-CZ3 4.49Å |
| 130 | L | 85.3 | Confident | 78 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 119.7 | 173.3 | -171.8 | 69.4 | 0 | 0 | 0 | 109.2 | H48 I83 F85 W116 Y117 W152 | H48-L130 HydrophobicContact CB-CD2 3.77Å; H48-L130 VanDerWaalsContact CD2-CD2 3.48Å; H48-L130 WeakPolarHBondContact CD2-CD2 3.29Å; H48-L130 VanDerWaalsContact CG-CD2 3.45Å; I83-L130 HydrophobicContact CG2-CD2 4.24Å; F85-L130 HydrophobicContact CD2-CB 4.12Å; F85-L130 HydrophobicContact CE2-CB 4.47Å; F85-L130 WeakPolarHBondContact O-CB 3.33Å; F85-L130 PolarHBondContact O-N 3.33Å; W116-L130 HydrophobicContact CB-CD1 4.08Å; Y117-L130 HydrophobicContact CD1-CB 4.2Å; Y117-L130 HydrophobicContact CD1-CD1 4.29Å; Y117-L130 HydrophobicContact CD2-CD1 4.01Å; Y117-L130 HydrophobicContact CE1-CB 3.86Å; Y117-L130 HydrophobicContact CE1-CD1 4.02Å; Y117-L130 HydrophobicContact CE2-CD1 3.74Å; Y117-L130 HydrophobicContact CG-CD1 4.29Å; L130-W152 HydrophobicContact CD1-CH2 3.9Å; L130-W152 HydrophobicContact CD1-CZ3 3.98Å; L130-W152 HydrophobicContact CD2-CH2 3.87Å; L130-W152 HydrophobicContact CD2-CZ2 4.49Å; L130-W152 HydrophobicContact CG-CH2 4.38Å |
| 131 | K | 82.9 | Confident | 77.3 | Confident | 52 Ų | 52 | 49 Ų | 49 | 23% | 0.226 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 138.9 | 178.8 | -179 | -158.8 | 167.6 | -163.5 | 0 | 110 | H48 W116 L118 H129 | H48-K131 PolarHBondContact CD2-O 3.49Å; H48-K131 VanDerWaalsContact CD2-O 3.27Å; H48-K131 PolarHBondContact NE2-O 3.22Å; W116-K131 WeakPolarHBondContact O-CB 3.22Å; W116-K131 PolarHBondContact O-N 3.02Å; L118-K131 HydrophobicContact CD1-CD 4.42Å; L118-K131 HydrophobicContact CD1-CG 4.47Å; H129-K131 PolarHBondContact O-N 3.06Å |
| 132 | P | 79.9 | Confident | 76.8 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 144.3 | 170.1 | -27.1 | 35.8 | 0 | 0 | 0 | 113.3 | L46 V134 | L46-P132 CarbonylContact O-C 3.41Å; L46-P132 WeakPolarHBondContact O-CA 3.49Å; P132-V134 WeakPolarHBondContact CB-O 3.38Å; P132-V134 PolarHBondContact O-N 2.93Å |
| 133 | I | 79.8 | Confident | 76.2 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -56.1 | -40 | 168.6 | -51.3 | -176.2 | 0 | 0 | 0 | 110.1 | L46 H48 E148 K149 W152 | L46-I133 HydrophobicContact CD2-CB 3.83Å; L46-I133 HydrophobicContact CD2-CD1 4.05Å; L46-I133 HydrophobicContact CD2-CG1 4.42Å; L46-I133 HydrophobicContact CD2-CG2 3.92Å; L46-I133 PolarHBondContact O-N 2.99Å; H48-I133 WeakPolarHBondContact CE1-CG1 3.03Å; H48-I133 WeakPolarHBondContact NE2-CG1 3.37Å; I133-E148 HydrophobicContact CG2-CB 3.99Å; I133-K149 HydrophobicContact CG2-CG 4.42Å; I133-W152 HydrophobicContact CD1-CB 4Å; I133-W152 HydrophobicContact CD1-CD2 4.24Å; I133-W152 HydrophobicContact CD1-CG 3.55Å; I133-W152 HydrophobicContact CG1-CB 4.1Å; I133-W152 HydrophobicContact CG1-CD2 4.24Å; I133-W152 HydrophobicContact CG1-CG 3.84Å; I133-W152 HydrophobicContact CG2-CB 4.02Å |
| 134 | V | 74.7 | Confident | 75.9 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -143.7 | 128.9 | -178.7 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | L46 P132 Q138 L139 F144 V145 E148 | L46-V134 HydrophobicContact CD2-CG2 4.07Å; P132-V134 WeakPolarHBondContact CB-O 3.38Å; P132-V134 PolarHBondContact O-N 2.93Å; V134-Q138 HydrophobicContact CG1-CB 3.59Å; V134-L139 HydrophobicContact CB-CD2 4.18Å; V134-L139 HydrophobicContact CG1-CD2 3.79Å; V134-L139 HydrophobicContact CG1-CG 3.9Å; V134-F144 HydrophobicContact CG1-CD1 4.38Å; V134-F144 HydrophobicContact CG1-CE1 4.26Å; V134-V145 HydrophobicContact CG1-CG2 4.14Å; V134-V145 HydrophobicContact CG2-CB 4.48Å; V134-V145 HydrophobicContact CG2-CG1 4.45Å; V134-V145 HydrophobicContact CG2-CG2 4.27Å; V134-E148 HydrophobicContact CG2-CB 4.31Å |
| 135 | E | 72.2 | Confident | 75.6 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | trans | -72.4 | 149.3 | 172.7 | -69.1 | -68.6 | 170.2 | 0 | 0 | 110.7 | F137 Q138 | E135-F137 HydrophobicContact CB-CD1 3.79Å; E135-F137 HydrophobicContact CB-CE1 3.45Å; E135-F137 VanDerWaalsContact CB-CE1 3.45Å; E135-F137 HydrophobicContact CB-CZ 4.16Å; E135-F137 HydrophobicContact CG-CE1 4.05Å; E135-F137 PolarHBondContact O-N 2.94Å; E135-Q138 HydrophobicContact CB-CG 4.21Å; E135-Q138 WeakPolarHBondContact O-CB 3.3Å; E135-Q138 PolarHBondContact O-N 2.71Å | ||
| 136 | A | 65.9 | Low | 75.5 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 44% | 0.438 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -50 | -40.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q138 H708 | A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 3.02Å; A136-H708 PolarHBondContact O-CE1 3.13Å |
| 137 | F | 64.5 | Low | 75.4 | Confident | 85 Ų | 85 | 57.1 Ų | 57.1 | 37% | 0.373 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -72.9 | -16.4 | -179.8 | 67.7 | -89.2 | 0 | 0 | 0 | 114.6 | E135 W686 P687 | E135-F137 HydrophobicContact CB-CD1 3.79Å; E135-F137 HydrophobicContact CB-CE1 3.45Å; E135-F137 VanDerWaalsContact CB-CE1 3.45Å; E135-F137 HydrophobicContact CB-CZ 4.16Å; E135-F137 HydrophobicContact CG-CE1 4.05Å; E135-F137 PolarHBondContact O-N 2.94Å; F137-W686 HydrophobicContact CE1-CE3 4.35Å; F137-P687 HydrophobicContact CB-CB 4.08Å; F137-P687 HydrophobicContact CB-CG 3.95Å; F137-P687 HydrophobicContact CD1-CG 4.3Å; F137-P687 HydrophobicContact CD2-CG 3.96Å; F137-P687 HydrophobicContact CG-CB 4.31Å; F137-P687 HydrophobicContact CG-CG 3.83Å |
| 138 | Q | 68.8 | Low | 75.4 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -87.8 | -12 | -177.6 | -61.8 | 173.3 | -28.5 | 0 | 0 | 112.9 | V134 E135 A136 G140 D141 F144 | V134-Q138 HydrophobicContact CG1-CB 3.59Å; E135-Q138 HydrophobicContact CB-CG 4.21Å; E135-Q138 WeakPolarHBondContact O-CB 3.3Å; E135-Q138 PolarHBondContact O-N 2.71Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 3.02Å; Q138-G140 PolarHBondContact O-N 2.87Å; Q138-D141 PolarHBondContact O-N 2.84Å; Q138-F144 HydrophobicContact CB-CD1 4.08Å; Q138-F144 HydrophobicContact CB-CE1 3.9Å; Q138-F144 HydrophobicContact CG-CE1 4.27Å |
| 139 | L | 62.7 | Low | 75.1 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.9 | -174.9 | -71.6 | 164.1 | 0 | 0 | 0 | 114.7 | V43 L46 V134 V145 H708 | V43-L139 HydrophobicContact CG1-CD1 4.01Å; L46-L139 HydrophobicContact CD1-CD2 3.44Å; L46-L139 VanDerWaalsContact CD1-CD2 3.44Å; V134-L139 HydrophobicContact CB-CD2 4.18Å; V134-L139 HydrophobicContact CG1-CD2 3.79Å; V134-L139 HydrophobicContact CG1-CG 3.9Å; L139-V145 HydrophobicContact CD2-CG2 3.94Å; L139-H708 VanDerWaalsContact CD1-CE1 3.47Å; L139-H708 WeakPolarHBondContact CD1-CE1 3.45Å; L139-H708 VanDerWaalsContact CD1-NE2 3.27Å; L139-H708 WeakPolarHBondContact CD1-NE2 3.44Å |
| 140 | G | 64.1 | Low | 74.8 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 76% | 0.763 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q138 | Q138-G140 PolarHBondContact O-N 2.87Š|
| 141 | D | 72.7 | Confident | 74.9 | Confident | 86 Ų | 86 | 68.1 Ų | 68.1 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | trans | -96.7 | 94.1 | 174.5 | -175 | 0.9 | 0 | 0 | 0 | 111.5 | Q138 R143 F144 V145 | Q138-D141 PolarHBondContact O-N 2.84Å; D141-R143 PolarHBondContact O-N 3.15Å; D141-R143 WeakPolarHBondContact OD1-CB 3.38Å; D141-R143 PolarHBondContact OD1-N 3.12Å; D141-F144 HydrophobicContact CB-CB 3.9Å; D141-F144 WeakPolarHBondContact O-CB 3.48Å; D141-F144 PolarHBondContact O-N 2.81Å; D141-F144 PolarHBondContact OD1-N 3.31Å; D141-V145 WeakPolarHBondContact O-CG2 3.25Å; D141-V145 PolarHBondContact O-N 2.84Å | ||
| 142 | N | 73.8 | Confident | 75 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 67% | 0.674 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -52 | -27.9 | 174.6 | -73.8 | -59.8 | 0 | 0 | 0 | 114.2 | E146 | N142-E146 WeakPolarHBondContact O-CB 3.38Å; N142-E146 PolarHBondContact O-N 3.2Å |
| 143 | R | 74.5 | Confident | 75.2 | Confident | 200 Ų | 200 | 69.6 Ų | 69.6 | 76% | 0.755 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -76.5 | -40.3 | 177.5 | -63.2 | -179.4 | 175.4 | 178.1 | 0.3 | 111.8 | D141 V145 E146 N147 | D141-R143 PolarHBondContact O-N 3.15Å; D141-R143 WeakPolarHBondContact OD1-CB 3.38Å; D141-R143 PolarHBondContact OD1-N 3.12Å; R143-V145 VanDerWaalsContact C-N 3.34Å; R143-E146 PolarHBondContact O-N 3.05Å; R143-N147 WeakPolarHBondContact O-CB 3.49Å; R143-N147 PolarHBondContact O-N 3.26Å; R143-N147 VanDerWaalsContact O-N 3.07Å; R143-N147 PolarHBondContact O-ND2 3.38Å |
| 144 | F | 76.4 | Confident | 75.3 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 31% | 0.307 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 171.4 | -178.6 | -98.6 | 0 | 0 | 0 | 110.3 | V134 Q138 D141 E146 N147 E148 | V134-F144 HydrophobicContact CG1-CD1 4.38Å; V134-F144 HydrophobicContact CG1-CE1 4.26Å; Q138-F144 HydrophobicContact CB-CD1 4.08Å; Q138-F144 HydrophobicContact CB-CE1 3.9Å; Q138-F144 HydrophobicContact CG-CE1 4.27Å; D141-F144 HydrophobicContact CB-CB 3.9Å; D141-F144 WeakPolarHBondContact O-CB 3.48Å; D141-F144 PolarHBondContact O-N 2.81Å; D141-F144 PolarHBondContact OD1-N 3.31Å; F144-E146 PolarHBondContact O-N 2.85Å; F144-N147 PolarHBondContact O-N 3.29Å; F144-E148 HydrophobicContact CD1-CG 4.45Å; F144-E148 HydrophobicContact CD2-CG 4.46Å; F144-E148 HydrophobicContact CE1-CG 3.96Å; F144-E148 HydrophobicContact CE2-CG 3.96Å; F144-E148 HydrophobicContact CZ-CG 3.69Å; F144-E148 PolarHBondContact O-N 3.29Å |
| 145 | V | 75.2 | Confident | 75.9 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 177 | 176.5 | 0 | 0 | 0 | 0 | 112.7 | L46 V134 L139 D141 R143 K149 | L46-V145 HydrophobicContact CD1-CG1 4.1Å; V134-V145 HydrophobicContact CG1-CG2 4.14Å; V134-V145 HydrophobicContact CG2-CB 4.48Å; V134-V145 HydrophobicContact CG2-CG1 4.45Å; V134-V145 HydrophobicContact CG2-CG2 4.27Å; L139-V145 HydrophobicContact CD2-CG2 3.94Å; D141-V145 WeakPolarHBondContact O-CG2 3.25Å; D141-V145 PolarHBondContact O-N 2.84Å; R143-V145 VanDerWaalsContact C-N 3.34Å; V145-K149 HydrophobicContact CG1-CD 4.17Å; V145-K149 WeakPolarHBondContact O-CB 3.49Å; V145-K149 WeakPolarHBondContact O-CD 3.5Å; V145-K149 WeakPolarHBondContact O-CG 3.35Å; V145-K149 PolarHBondContact O-N 3Å; V145-K149 VanDerWaalsContact O-N 3.12Å |
| 146 | E | 76.1 | Confident | 76.6 | Confident | 116 Ų | 116 | 75.6 Ų | 75.6 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 178.9 | -160.6 | 87 | -116.7 | 0 | 0 | 111.9 | N142 R143 F144 Q150 | N142-E146 WeakPolarHBondContact O-CB 3.38Å; N142-E146 PolarHBondContact O-N 3.2Å; R143-E146 PolarHBondContact O-N 3.05Å; F144-E146 PolarHBondContact O-N 2.85Å; E146-Q150 WeakPolarHBondContact O-CG 3.4Å; E146-Q150 PolarHBondContact O-N 2.95Å |
| 147 | N | 79.6 | Confident | 77.4 | Confident | 109 Ų | 109 | 77.9 Ų | 77.9 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.4 | -50.5 | 179 | -72.4 | -22.7 | 0 | 0 | 0 | 112.3 | R143 F144 K149 Q150 R151 | R143-N147 WeakPolarHBondContact O-CB 3.49Å; R143-N147 PolarHBondContact O-N 3.26Å; R143-N147 VanDerWaalsContact O-N 3.07Å; R143-N147 PolarHBondContact O-ND2 3.38Å; F144-N147 PolarHBondContact O-N 3.29Å; N147-K149 VanDerWaalsContact C-N 3.31Å; N147-K149 PolarHBondContact O-N 2.84Å; N147-Q150 PolarHBondContact O-N 3.01Å; N147-Q150 VanDerWaalsContact O-N 3.12Å; N147-R151 PolarHBondContact O-N 2.81Å |
| 148 | E | 81.8 | Confident | 78.3 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 16% | 0.159 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.5 | -32.6 | 179.1 | -67.6 | -56.2 | 134.8 | 0 | 0 | 111.6 | I133 V134 F144 Q150 R151 W152 | I133-E148 HydrophobicContact CG2-CB 3.99Å; V134-E148 HydrophobicContact CG2-CB 4.31Å; F144-E148 HydrophobicContact CD1-CG 4.45Å; F144-E148 HydrophobicContact CD2-CG 4.46Å; F144-E148 HydrophobicContact CE1-CG 3.96Å; F144-E148 HydrophobicContact CE2-CG 3.96Å; F144-E148 HydrophobicContact CZ-CG 3.69Å; F144-E148 PolarHBondContact O-N 3.29Å; E148-Q150 PolarHBondContact O-N 2.74Å; E148-R151 PolarHBondContact O-N 2.95Å; E148-R151 VanDerWaalsContact OE2-CD 3.29Å; E148-R151 WeakPolarHBondContact OE2-CD 3.24Å; E148-R151 IonicContact OE2-NH1 3.5Å; E148-R151 PolarHBondContact OE2-NH1 2.99Å; E148-W152 WeakPolarHBondContact O-CB 3.26Å; E148-W152 PolarHBondContact O-N 2.95Å |
| 149 | K | 80.8 | Confident | 79.2 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 21% | 0.213 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.4 | -46.1 | 168.5 | -81.3 | 173.2 | -175.1 | 173.5 | 0 | 112.4 | L46 I133 V145 N147 Y153 | L46-K149 HydrophobicContact CD2-CD 4.23Å; L46-K149 HydrophobicContact CD2-CG 3.68Å; I133-K149 HydrophobicContact CG2-CG 4.42Å; V145-K149 HydrophobicContact CG1-CD 4.17Å; V145-K149 WeakPolarHBondContact O-CB 3.49Å; V145-K149 WeakPolarHBondContact O-CD 3.5Å; V145-K149 WeakPolarHBondContact O-CG 3.35Å; V145-K149 PolarHBondContact O-N 3Å; V145-K149 VanDerWaalsContact O-N 3.12Å; N147-K149 VanDerWaalsContact C-N 3.31Å; N147-K149 PolarHBondContact O-N 2.84Å; K149-Y153 HydrophobicContact CB-CE2 4.24Å; K149-Y153 WeakPolarHBondContact O-CB 3.31Å; K149-Y153 WeakPolarHBondContact O-CD2 3.2Å; K149-Y153 PolarHBondContact O-N 2.74Å |
| 150 | Q | 79.4 | Confident | 80.2 | Confident | 108 Ų | 108 | 71 Ų | 71 | 51% | 0.505 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 178.6 | -70.3 | -65.4 | -12 | 0 | 0 | 112.1 | E146 N147 E148 Y153 D154 | E146-Q150 WeakPolarHBondContact O-CG 3.4Å; E146-Q150 PolarHBondContact O-N 2.95Å; N147-Q150 PolarHBondContact O-N 3.01Å; N147-Q150 VanDerWaalsContact O-N 3.12Å; E148-Q150 PolarHBondContact O-N 2.74Å; Q150-Y153 PolarHBondContact O-N 3.08Å; Q150-D154 PolarHBondContact O-N 3.28Å; Q150-D154 VanDerWaalsContact O-N 3.1Å |
| 151 | R | 86.3 | Confident | 81 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.4 | -52.2 | 174.5 | -170.5 | -175.9 | 179.7 | -153 | -3.9 | 111 | E115 W116 N147 E148 Y153 D154 D155 | E115-R151 IonicContact OE1-CZ 3.19Å; E115-R151 IonicContact OE1-NH1 2.8Å; E115-R151 PolarHBondContact OE1-NH1 3.22Å; E115-R151 IonicContact OE1-NH2 2.68Å; E115-R151 PolarHBondContact OE1-NH2 2.92Å; W116-R151 HydrophobicContact CZ2-CG 4.42Å; N147-R151 PolarHBondContact O-N 2.81Å; E148-R151 PolarHBondContact O-N 2.95Å; E148-R151 VanDerWaalsContact OE2-CD 3.29Å; E148-R151 WeakPolarHBondContact OE2-CD 3.24Å; E148-R151 IonicContact OE2-NH1 3.5Å; E148-R151 PolarHBondContact OE2-NH1 2.99Å; R151-Y153 VanDerWaalsContact C-N 3.34Å; R151-Y153 PolarHBondContact O-N 3.18Å; R151-D154 PolarHBondContact O-N 2.97Å; R151-D155 PolarHBondContact O-N 3.18Å |
| 152 | W | 86.6 | Confident | 81.6 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.2 | -44.9 | 172.3 | 169.3 | -107.1 | 0 | 0 | 0 | 112.5 | H48 I83 W116 L130 I133 E148 D154 D155 R156 M159 | H48-W152 AromaticContact CE1-CD2 3.64Å; H48-W152 AromaticContact CE1-CE2 3.29Å; H48-W152 AromaticContact CE1-CE3 3.97Å; H48-W152 AromaticContact CE1-CH2 3.73Å; H48-W152 AromaticContact CE1-CZ2 3.35Å; H48-W152 WeakPolarHBondContact CE1-CZ2 3.07Å; H48-W152 AromaticContact CE1-NE1 3.72Å; H48-W152 AromaticContact ND1-CE2 3.99Å; H48-W152 AromaticContact ND1-CZ2 3.76Å; I83-W152 HydrophobicContact CD1-CH2 4.27Å; W116-W152 HydrophobicContact CB-CZ3 4.18Å; W116-W152 AromaticContact CD2-CE3 3.73Å; W116-W152 HydrophobicContact CD2-CE3 3.73Å; W116-W152 HydrophobicContact CD2-CZ3 4.01Å; W116-W152 AromaticContact CE2-CE3 3.92Å; W116-W152 HydrophobicContact CE3-CE3 4.02Å; W116-W152 HydrophobicContact CE3-CZ3 4.35Å; W116-W152 HydrophobicContact CG-CE3 4.05Å; W116-W152 AromaticContact CG-CZ3 3.91Å; W116-W152 HydrophobicContact CG-CZ3 3.91Å; W116-W152 HydrophobicContact CH2-CB 4.4Å; W116-W152 HydrophobicContact CZ2-CB 4.24Å; W116-W152 HydrophobicContact CZ2-CE3 4.39Å; W116-W152 HydrophobicContact CZ3-CE3 4.49Å; L130-W152 HydrophobicContact CD1-CH2 3.9Å; L130-W152 HydrophobicContact CD1-CZ3 3.98Å; L130-W152 HydrophobicContact CD2-CH2 3.87Å; L130-W152 HydrophobicContact CD2-CZ2 4.49Å; L130-W152 HydrophobicContact CG-CH2 4.38Å; I133-W152 HydrophobicContact CD1-CB 4Å; I133-W152 HydrophobicContact CD1-CD2 4.24Å; I133-W152 HydrophobicContact CD1-CG 3.55Å; I133-W152 HydrophobicContact CG1-CB 4.1Å; I133-W152 HydrophobicContact CG1-CD2 4.24Å; I133-W152 HydrophobicContact CG1-CG 3.84Å; I133-W152 HydrophobicContact CG2-CB 4.02Å; E148-W152 WeakPolarHBondContact O-CB 3.26Å; E148-W152 PolarHBondContact O-N 2.95Å; W152-D154 VanDerWaalsContact C-N 3.26Å; W152-D154 PolarHBondContact O-N 2.9Å; W152-D155 PolarHBondContact O-N 2.84Å; W152-R156 HydrophobicContact CD2-CB 4.26Å; W152-R156 HydrophobicContact CH2-CB 4.42Å; W152-R156 HydrophobicContact CZ2-CB 3.96Å; W152-R156 HydrophobicContact CZ2-CG 4.11Å; W152-R156 WeakPolarHBondContact O-CB 3.45Å; W152-R156 PolarHBondContact O-N 2.83Å; W152-M159 HydrophobicContact CE3-CE 4.35Å; W152-M159 HydrophobicContact CH2-CE 3.95Å; W152-M159 HydrophobicContact CZ3-CE 3.53Å |
| 153 | Y | 82.8 | Confident | 82.2 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 39% | 0.388 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -28.4 | -179.4 | -71.5 | -40.8 | 0 | 0 | 0 | 113.5 | K149 Q150 R151 K157 | K149-Y153 HydrophobicContact CB-CE2 4.24Å; K149-Y153 WeakPolarHBondContact O-CB 3.31Å; K149-Y153 WeakPolarHBondContact O-CD2 3.2Å; K149-Y153 PolarHBondContact O-N 2.74Å; Q150-Y153 PolarHBondContact O-N 3.08Å; R151-Y153 VanDerWaalsContact C-N 3.34Å; R151-Y153 PolarHBondContact O-N 3.18Å; Y153-K157 VanDerWaalsContact O-CD 3.24Å; Y153-K157 WeakPolarHBondContact O-CD 3.49Å; Y153-K157 WeakPolarHBondContact O-CE 3.42Å; Y153-K157 VanDerWaalsContact O-CG 3.23Å; Y153-K157 WeakPolarHBondContact O-CG 3.08Å; Y153-K157 PolarHBondContact O-NZ 3Å |
| 154 | D | 82.4 | Confident | 82.5 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -83.1 | -41 | 173.8 | -82.9 | -5.8 | 0 | 0 | 0 | 112.6 | Q150 R151 W152 K157 A158 | Q150-D154 PolarHBondContact O-N 3.28Å; Q150-D154 VanDerWaalsContact O-N 3.1Å; R151-D154 PolarHBondContact O-N 2.97Å; W152-D154 VanDerWaalsContact C-N 3.26Å; W152-D154 PolarHBondContact O-N 2.9Å; D154-K157 WeakPolarHBondContact O-CB 2.98Å; D154-K157 PolarHBondContact O-N 3.3Å; D154-K157 IonicContact OD1-NZ 2.65Å; D154-K157 PolarHBondContact OD1-NZ 2.8Å; D154-A158 PolarHBondContact O-N 3.23Å; D154-A158 VanDerWaalsContact O-N 3.12Å |
| 155 | D | 88 | Confident | 82.8 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 178 | -68.4 | -15.8 | 0 | 0 | 0 | 111.7 | A112 W116 R151 W152 K157 A158 M159 | A112-D155 HydrophobicContact CB-CB 3.84Å; W116-D155 PolarHBondContact NE1-OD2 3.23Å; R151-D155 PolarHBondContact O-N 3.18Å; W152-D155 PolarHBondContact O-N 2.84Å; D155-K157 VanDerWaalsContact C-N 3.3Å; D155-K157 PolarHBondContact O-N 3.21Å; D155-A158 WeakPolarHBondContact O-CB 3.33Å; D155-A158 PolarHBondContact O-N 2.88Å; D155-A158 VanDerWaalsContact O-N 3.11Å; D155-M159 WeakPolarHBondContact O-CG 3.18Å; D155-M159 PolarHBondContact O-N 2.91Å |
| 156 | R | 85.6 | Confident | 83.4 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.2 | -38.5 | 170.2 | 175.1 | 168.2 | -174.7 | -99 | -5.9 | 112.4 | E80 I83 W152 H160 | E80-R156 IonicContact OE2-CZ 3.84Å; E80-R156 VanDerWaalsContact OE2-CZ 3.22Å; E80-R156 IonicContact OE2-NH1 2.71Å; E80-R156 PolarHBondContact OE2-NH1 2.93Å; E80-R156 IonicContact OE2-NH2 3.15Å; E80-R156 PolarHBondContact OE2-NH2 3.03Å; I83-R156 HydrophobicContact CD1-CB 4.29Å; I83-R156 HydrophobicContact CD1-CG 3.75Å; W152-R156 HydrophobicContact CD2-CB 4.26Å; W152-R156 HydrophobicContact CH2-CB 4.42Å; W152-R156 HydrophobicContact CZ2-CB 3.96Å; W152-R156 HydrophobicContact CZ2-CG 4.11Å; W152-R156 WeakPolarHBondContact O-CB 3.45Å; W152-R156 PolarHBondContact O-N 2.83Å; R156-H160 PolarHBondContact NE-NE2 3.41Å; R156-H160 VanDerWaalsContact NE-NE2 3.19Å; R156-H160 PolarHBondContact NH2-NE2 3.49Å; R156-H160 WeakPolarHBondContact O-CB 2.99Å; R156-H160 PolarHBondContact O-CD2 3.16Å; R156-H160 PolarHBondContact O-N 2.87Å |
| 157 | K | 82.4 | Confident | 84 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68 | -41.9 | 175.3 | -65.6 | 159.5 | -160.2 | 148.7 | 0 | 110.6 | Y153 D154 D155 L161 | Y153-K157 VanDerWaalsContact O-CD 3.24Å; Y153-K157 WeakPolarHBondContact O-CD 3.49Å; Y153-K157 WeakPolarHBondContact O-CE 3.42Å; Y153-K157 VanDerWaalsContact O-CG 3.23Å; Y153-K157 WeakPolarHBondContact O-CG 3.08Å; Y153-K157 PolarHBondContact O-NZ 3Å; D154-K157 WeakPolarHBondContact O-CB 2.98Å; D154-K157 PolarHBondContact O-N 3.3Å; D154-K157 IonicContact OD1-NZ 2.65Å; D154-K157 PolarHBondContact OD1-NZ 2.8Å; D155-K157 VanDerWaalsContact C-N 3.3Å; D155-K157 PolarHBondContact O-N 3.21Å; K157-L161 WeakPolarHBondContact O-CB 3.08Å; K157-L161 VanDerWaalsContact O-CG 3.29Å; K157-L161 WeakPolarHBondContact O-CG 3.46Å; K157-L161 PolarHBondContact O-N 3.42Å |
| 158 | A | 84.6 | Confident | 84.3 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K108 D154 D155 L161 G162 | K108-A158 HydrophobicContact CB-CB 4.08Å; D154-A158 PolarHBondContact O-N 3.23Å; D154-A158 VanDerWaalsContact O-N 3.12Å; D155-A158 WeakPolarHBondContact O-CB 3.33Å; D155-A158 PolarHBondContact O-N 2.88Å; D155-A158 VanDerWaalsContact O-N 3.11Å; A158-L161 PolarHBondContact O-N 2.8Å; A158-G162 PolarHBondContact O-N 3.24Å |
| 159 | M | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 175.4 | -72.2 | -171.5 | -78.3 | 0 | 0 | 111.9 | I83 A112 L113 W116 Y117 W152 D155 L161 G162 I163 | I83-M159 HydrophobicContact CD1-CB 3.94Å; I83-M159 HydrophobicContact CD1-CE 4.25Å; A112-M159 HydrophobicContact CB-CE 4.16Å; A112-M159 HydrophobicContact CB-CG 3.65Å; A112-M159 HydrophobicContact CB-SD 3.98Å; L113-M159 HydrophobicContact CD2-CG 4.24Å; L113-M159 HydrophobicContact CD2-SD 3.87Å; L113-M159 HydrophobicContact CG-CG 4.19Å; L113-M159 HydrophobicContact CG-SD 4.22Å; W116-M159 HydrophobicContact CB-CE 4.19Å; W116-M159 HydrophobicContact CG-CE 4.21Å; Y117-M159 HydrophobicContact CD2-SD 4.44Å; Y117-M159 HydrophobicContact CE2-SD 4.2Å; W152-M159 HydrophobicContact CE3-CE 4.35Å; W152-M159 HydrophobicContact CH2-CE 3.95Å; W152-M159 HydrophobicContact CZ3-CE 3.53Å; D155-M159 WeakPolarHBondContact O-CG 3.18Å; D155-M159 PolarHBondContact O-N 2.91Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-L161 PolarHBondContact O-N 3.24Å; M159-G162 PolarHBondContact O-N 2.96Å; M159-I163 HydrophobicContact CB-CD1 4.34Å; M159-I163 WeakPolarHBondContact O-CB 3.33Å; M159-I163 VanDerWaalsContact O-CG1 3.26Å; M159-I163 WeakPolarHBondContact O-CG1 3.32Å; M159-I163 PolarHBondContact O-N 2.99Å |
| 160 | H | 83.5 | Confident | 84.7 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.8 | -44.7 | 175.6 | -88.2 | -41.4 | 0 | 0 | 0 | 112.9 | Y81 E82 I83 R156 G162 N164 | Y81-H160 PolarHBondContact O-CE1 2.79Å; Y81-H160 PolarHBondContact O-NE2 2.85Å; E82-H160 PolarHBondContact N-CE1 3.41Å; E82-H160 PolarHBondContact O-CE1 2.72Å; I83-H160 VanDerWaalsContact CG1-CE1 3.49Å; I83-H160 WeakPolarHBondContact CG1-CE1 3.42Å; I83-H160 PolarHBondContact N-CE1 2.56Å; I83-H160 VanDerWaalsContact N-CE1 3.27Å; R156-H160 PolarHBondContact NE-NE2 3.41Å; R156-H160 VanDerWaalsContact NE-NE2 3.19Å; R156-H160 PolarHBondContact NH2-NE2 3.49Å; R156-H160 WeakPolarHBondContact O-CB 2.99Å; R156-H160 PolarHBondContact O-CD2 3.16Å; R156-H160 PolarHBondContact O-N 2.87Å; H160-G162 VanDerWaalsContact C-N 3.35Å; H160-G162 PolarHBondContact O-N 3.17Å; H160-N164 WeakPolarHBondContact O-CB 3.32Å; H160-N164 VanDerWaalsContact O-CG 3.28Å; H160-N164 PolarHBondContact O-N 2.87Å; H160-N164 PolarHBondContact O-ND2 2.88Å |
| 161 | L | 81.1 | Confident | 85 | Confident | 96 Ų | 96 | 44 Ų | 44 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.7 | -33.4 | 179.2 | -71.7 | 169.8 | 0 | 0 | 0 | 112.8 | K157 A158 M159 Q165 | K157-L161 WeakPolarHBondContact O-CB 3.08Å; K157-L161 VanDerWaalsContact O-CG 3.29Å; K157-L161 WeakPolarHBondContact O-CG 3.46Å; K157-L161 PolarHBondContact O-N 3.42Å; A158-L161 PolarHBondContact O-N 2.8Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-L161 PolarHBondContact O-N 3.24Å; L161-Q165 WeakPolarHBondContact O-CG 3.43Å |
| 162 | G | 84.5 | Confident | 85 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -75.7 | -49.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A158 M159 H160 N164 Q165 I166 | A158-G162 PolarHBondContact O-N 3.24Å; M159-G162 PolarHBondContact O-N 2.96Å; H160-G162 VanDerWaalsContact C-N 3.35Å; H160-G162 PolarHBondContact O-N 3.17Å; G162-N164 VanDerWaalsContact C-N 3.3Å; G162-N164 PolarHBondContact O-N 2.91Å; G162-Q165 CarbonylContact O-C 3.59Å; G162-Q165 WeakPolarHBondContact O-CA 3.44Å; G162-Q165 WeakPolarHBondContact O-CB 3.48Å; G162-Q165 PolarHBondContact O-N 3.03Å; G162-I166 VanDerWaalsContact O-CG1 3.28Å; G162-I166 WeakPolarHBondContact O-CG1 3.1Å; G162-I166 PolarHBondContact O-N 3.17Å |
| 163 | I | 87 | Confident | 85 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.9 | -44.1 | -179.8 | -69.4 | 169.2 | 0 | 0 | 0 | 110.8 | M159 Q165 I166 I167 Y184 | M159-I163 HydrophobicContact CB-CD1 4.34Å; M159-I163 WeakPolarHBondContact O-CB 3.33Å; M159-I163 VanDerWaalsContact O-CG1 3.26Å; M159-I163 WeakPolarHBondContact O-CG1 3.32Å; M159-I163 PolarHBondContact O-N 2.99Å; I163-Q165 PolarHBondContact O-N 3.37Å; I163-Q165 VanDerWaalsContact O-N 3.15Å; I163-I166 PolarHBondContact O-N 3.34Å; I163-I166 VanDerWaalsContact O-N 3.15Å; I163-I167 HydrophobicContact CG2-CG1 3.74Å; I163-I167 WeakPolarHBondContact O-CG1 3.35Å; I163-I167 PolarHBondContact O-N 3.21Å; I163-Y184 HydrophobicContact CG2-CD1 3.8Å; I163-Y184 HydrophobicContact CG2-CG 4.18Å |
| 164 | N | 80.5 | Confident | 85 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -18.6 | 175.6 | -76 | -44.8 | 0 | 0 | 0 | 114.3 | H160 G162 P168 | H160-N164 WeakPolarHBondContact O-CB 3.32Å; H160-N164 VanDerWaalsContact O-CG 3.28Å; H160-N164 PolarHBondContact O-N 2.87Å; H160-N164 PolarHBondContact O-ND2 2.88Å; G162-N164 VanDerWaalsContact C-N 3.3Å; G162-N164 PolarHBondContact O-N 2.91Å; N164-P168 WeakPolarHBondContact O-CD 3.09Å; N164-P168 WeakPolarHBondContact O-CG 3.47Å |
| 165 | Q | 83 | Confident | 85.2 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 41% | 0.407 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -95.9 | -32.5 | 173.3 | -65.7 | 177.2 | 20.1 | 0 | 0 | 112.4 | I105 L161 G162 I163 V169 | I105-Q165 HydrophobicContact CD1-CB 4.45Å; I105-Q165 HydrophobicContact CG1-CB 4.31Å; L161-Q165 WeakPolarHBondContact O-CG 3.43Å; G162-Q165 CarbonylContact O-C 3.59Å; G162-Q165 WeakPolarHBondContact O-CA 3.44Å; G162-Q165 WeakPolarHBondContact O-CB 3.48Å; G162-Q165 PolarHBondContact O-N 3.03Å; I163-Q165 PolarHBondContact O-N 3.37Å; I163-Q165 VanDerWaalsContact O-N 3.15Å; Q165-V169 WeakPolarHBondContact O-CG2 3.49Å |
| 166 | I | 88.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.8 | -52.1 | -177.2 | -65.6 | 163.2 | 0 | 0 | 0 | 111.6 | I95 W98 I102 I105 G162 I163 V169 L170 | I95-I166 HydrophobicContact CG1-CG2 4.29Å; I95-I166 HydrophobicContact CG2-CD1 3.96Å; I95-I166 HydrophobicContact CG2-CG2 4.45Å; W98-I166 HydrophobicContact CB-CG2 4.12Å; I102-I166 HydrophobicContact CD1-CG1 4.22Å; I105-I166 HydrophobicContact CD1-CD1 3.89Å; I105-I166 HydrophobicContact CD1-CG1 3.39Å; G162-I166 VanDerWaalsContact O-CG1 3.28Å; G162-I166 WeakPolarHBondContact O-CG1 3.1Å; G162-I166 PolarHBondContact O-N 3.17Å; I163-I166 PolarHBondContact O-N 3.34Å; I163-I166 VanDerWaalsContact O-N 3.15Å; I166-V169 WeakPolarHBondContact O-CB 3.25Å; I166-V169 PolarHBondContact O-N 3.41Å; I166-L170 HydrophobicContact CG2-CD1 3.58Å; I166-L170 HydrophobicContact CG2-CG 3.93Å; I166-L170 PolarHBondContact O-N 3.21Å |
| 167 | I | 88.6 | Confident | 85.1 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | -170.3 | -61.4 | -62.7 | 0 | 0 | 0 | 112.4 | I95 I163 V169 L170 T171 I176 A181 Y184 | I95-I167 HydrophobicContact CD1-CD1 4.03Å; I95-I167 HydrophobicContact CG1-CD1 4.16Å; I163-I167 HydrophobicContact CG2-CG1 3.74Å; I163-I167 WeakPolarHBondContact O-CG1 3.35Å; I163-I167 PolarHBondContact O-N 3.21Å; I167-V169 PolarHBondContact O-N 3.14Å; I167-L170 HydrophobicContact CD1-CD1 4.39Å; I167-L170 PolarHBondContact O-N 3.36Å; I167-L170 VanDerWaalsContact O-N 3.16Å; I167-T171 PolarHBondContact O-N 3.2Å; I167-T171 PolarHBondContact O-OG1 2.95Å; I167-I176 HydrophobicContact CD1-CD1 4.3Å; I167-A181 HydrophobicContact CG2-CB 3.81Å; I167-Y184 HydrophobicContact CD1-CD1 4.21Å; I167-Y184 HydrophobicContact CD1-CD2 3.54Å; I167-Y184 HydrophobicContact CD1-CE1 4.33Å; I167-Y184 HydrophobicContact CD1-CE2 3.68Å; I167-Y184 HydrophobicContact CD1-CG 3.82Å; I167-Y184 HydrophobicContact CG1-CD1 4.3Å; I167-Y184 HydrophobicContact CG1-CD2 3.88Å; I167-Y184 HydrophobicContact CG1-CE2 4.5Å; I167-Y184 HydrophobicContact CG1-CG 3.76Å; I167-Y184 HydrophobicContact CG2-CD2 4.23Å |
| 168 | P | 85.2 | Confident | 84.9 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.8 | -33.6 | 176.2 | -24.8 | 35.9 | 0 | 0 | 0 | 113.5 | N164 Q172 | N164-P168 WeakPolarHBondContact O-CD 3.09Å; N164-P168 WeakPolarHBondContact O-CG 3.47Å; P168-Q172 WeakPolarHBondContact O-CB 3.3Å; P168-Q172 WeakPolarHBondContact O-CG 3.21Å; P168-Q172 PolarHBondContact O-N 2.77Å |
| 169 | V | 85.6 | Confident | 84.5 | Confident | 40 Ų | 40 | 56 Ų | 56 | 24% | 0.242 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72 | -43.9 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | W98 I102 Q165 I166 I167 T171 Q172 Q173 | W98-V169 HydrophobicContact CE3-CG1 3.85Å; W98-V169 HydrophobicContact CH2-CG1 4.34Å; W98-V169 HydrophobicContact CZ3-CG1 3.57Å; I102-V169 HydrophobicContact CD1-CB 4.18Å; I102-V169 HydrophobicContact CD1-CG1 4.29Å; I102-V169 HydrophobicContact CD1-CG2 4.17Å; Q165-V169 WeakPolarHBondContact O-CG2 3.49Å; I166-V169 WeakPolarHBondContact O-CB 3.25Å; I166-V169 PolarHBondContact O-N 3.41Å; I167-V169 PolarHBondContact O-N 3.14Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-T171 PolarHBondContact O-N 3.39Å; V169-Q172 PolarHBondContact O-N 3.34Å; V169-Q173 HydrophobicContact CG1-CG 4.4Å; V169-Q173 VanDerWaalsContact O-CG 3.28Å; V169-Q173 WeakPolarHBondContact O-CG 3.42Å; V169-Q173 PolarHBondContact O-N 3.06Å |
| 170 | L | 87 | Confident | 84.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 175.6 | -69 | 179.5 | 0 | 0 | 0 | 112.1 | L94 I95 W98 I166 I167 Q173 G174 L175 I176 | L94-L170 HydrophobicContact CB-CD1 4.23Å; L94-L170 HydrophobicContact CB-CD2 4.44Å; I95-L170 HydrophobicContact CG1-CD1 4.09Å; W98-L170 HydrophobicContact CB-CD2 4.29Å; W98-L170 VanDerWaalsContact CD1-CD2 3.42Å; W98-L170 HydrophobicContact CD2-CD2 3.96Å; W98-L170 HydrophobicContact CG-CD2 3.64Å; I166-L170 HydrophobicContact CG2-CD1 3.58Å; I166-L170 HydrophobicContact CG2-CG 3.93Å; I166-L170 PolarHBondContact O-N 3.21Å; I167-L170 HydrophobicContact CD1-CD1 4.39Å; I167-L170 PolarHBondContact O-N 3.36Å; I167-L170 VanDerWaalsContact O-N 3.16Å; L170-Q173 PolarHBondContact O-N 2.9Å; L170-G174 PolarHBondContact O-N 3.1Å; L170-L175 HydrophobicContact CD2-CB 4.16Å; L170-L175 HydrophobicContact CD2-CD1 3.84Å; L170-L175 PolarHBondContact O-N 2.81Å; L170-I176 HydrophobicContact CB-CB 4.3Å; L170-I176 HydrophobicContact CB-CD1 4.14Å; L170-I176 HydrophobicContact CB-CG1 4.13Å; L170-I176 HydrophobicContact CD1-CD1 3.52Å; L170-I176 HydrophobicContact CD1-CG1 4.22Å; L170-I176 HydrophobicContact CG-CD1 4.44Å |
| 171 | T | 85.9 | Confident | 84.2 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 25% | 0.245 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 175.1 | -47.2 | 0 | 0 | 0 | 0 | 112.1 | I167 V169 Q173 G174 A181 | I167-T171 PolarHBondContact O-N 3.2Å; I167-T171 PolarHBondContact O-OG1 2.95Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-T171 PolarHBondContact O-N 3.39Å; T171-Q173 VanDerWaalsContact C-N 3.3Å; T171-Q173 PolarHBondContact O-N 3.38Å; T171-G174 PolarHBondContact O-N 2.87Å; T171-G174 VanDerWaalsContact O-N 3.1Å; T171-A181 HydrophobicContact CG2-CB 4.5Å; T171-A181 WeakPolarHBondContact OG1-CB 3.48Å |
| 172 | Q | 86.1 | Confident | 84.1 | Confident | 159 Ų | 159 | 58.1 Ų | 58.1 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.1 | -29.7 | 175.5 | -75.8 | 171.9 | 23.4 | 0 | 0 | 113.4 | P168 V169 G174 | P168-Q172 WeakPolarHBondContact O-CB 3.3Å; P168-Q172 WeakPolarHBondContact O-CG 3.21Å; P168-Q172 PolarHBondContact O-N 2.77Å; V169-Q172 PolarHBondContact O-N 3.34Å; Q172-G174 VanDerWaalsContact C-N 3.31Å |
| 173 | Q | 86.6 | Confident | 84 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.4 | 173.4 | -64.5 | -66.7 | -44.9 | 0 | 0 | 113.1 | W98 V169 L170 T171 L175 | W98-Q173 HydrophobicContact CH2-CG 3.84Å; W98-Q173 HydrophobicContact CZ2-CG 4.21Å; V169-Q173 HydrophobicContact CG1-CG 4.4Å; V169-Q173 VanDerWaalsContact O-CG 3.28Å; V169-Q173 WeakPolarHBondContact O-CG 3.42Å; V169-Q173 PolarHBondContact O-N 3.06Å; L170-Q173 PolarHBondContact O-N 2.9Å; T171-Q173 VanDerWaalsContact C-N 3.3Å; T171-Q173 PolarHBondContact O-N 3.38Å; Q173-L175 HydrophobicContact CB-CD1 3.99Å; Q173-L175 HydrophobicContact CB-CG 3.96Å; Q173-L175 PolarHBondContact O-N 2.89Å |
| 174 | G | 82.8 | Confident | 83.8 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 19.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L170 T171 Q172 | L170-G174 PolarHBondContact O-N 3.1Å; T171-G174 PolarHBondContact O-N 2.87Å; T171-G174 VanDerWaalsContact O-N 3.1Å; Q172-G174 VanDerWaalsContact C-N 3.31Å |
| 175 | L | 85.2 | Confident | 83.8 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -84 | -22.1 | 179.4 | -66.6 | 173.9 | 0 | 0 | 0 | 113 | L94 W98 L170 Q173 | L94-L175 HydrophobicContact CD1-CB 4.19Å; L94-L175 HydrophobicContact CD2-CD1 4.33Å; W98-L175 HydrophobicContact CZ2-CD1 3.69Å; L170-L175 HydrophobicContact CD2-CB 4.16Å; L170-L175 HydrophobicContact CD2-CD1 3.84Å; L170-L175 PolarHBondContact O-N 2.81Å; Q173-L175 HydrophobicContact CB-CD1 3.99Å; Q173-L175 HydrophobicContact CB-CG 3.96Å; Q173-L175 PolarHBondContact O-N 2.89Å |
| 176 | I | 85.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -132.6 | 132.8 | 171 | -65.4 | -174.1 | 0 | 0 | 0 | 106.4 | E91 L94 I167 L170 E180 A181 | E91-I176 HydrophobicContact CB-CD1 4.36Å; E91-I176 HydrophobicContact CG-CD1 3.94Å; E91-I176 HydrophobicContact CG-CG1 4.37Å; L94-I176 HydrophobicContact CD1-CG1 4.08Å; I167-I176 HydrophobicContact CD1-CD1 4.3Å; L170-I176 HydrophobicContact CB-CB 4.3Å; L170-I176 HydrophobicContact CB-CD1 4.14Å; L170-I176 HydrophobicContact CB-CG1 4.13Å; L170-I176 HydrophobicContact CD1-CD1 3.52Å; L170-I176 HydrophobicContact CD1-CG1 4.22Å; L170-I176 HydrophobicContact CG-CD1 4.44Å; I176-E180 HydrophobicContact CG2-CB 3.5Å; I176-E180 VanDerWaalsContact CG2-CB 3.5Å; I176-A181 HydrophobicContact CG2-CB 4.29Å |
| 177 | T | 85.6 | Confident | 83.7 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | trans | -68.6 | 159.4 | 179.1 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | Q179 E180 A181 | T177-Q179 PolarHBondContact O-N 3.2Å; T177-Q179 VanDerWaalsContact O-N 3.14Å; T177-E180 VanDerWaalsContact CB-OE2 3.23Å; T177-E180 WeakPolarHBondContact CB-OE2 3.4Å; T177-E180 VanDerWaalsContact CG2-OE2 3.27Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.43Å; T177-E180 PolarHBondContact N-OE2 3.08Å; T177-E180 PolarHBondContact O-N 2.82Å; T177-E180 VanDerWaalsContact OG1-CD 3.24Å; T177-E180 WeakPolarHBondContact OG1-CG 3.33Å; T177-E180 PolarHBondContact OG1-N 3.01Å; T177-E180 PolarHBondContact OG1-OE2 3.15Å; T177-A181 WeakPolarHBondContact O-CB 3.47Å; T177-A181 PolarHBondContact O-N 3.21Å | ||
| 178 | S | 78.1 | Confident | 83.2 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61 | -21.2 | 175.1 | -50.6 | 0 | 0 | 0 | 0 | 113.6 | I182 | S178-I182 WeakPolarHBondContact O-CD1 3.35Å; S178-I182 WeakPolarHBondContact O-CG1 3.44Å |
| 179 | Q | 77.3 | Confident | 83 | Confident | 168 Ų | 168 | 56.2 Ų | 56.2 | 79% | 0.785 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -79.6 | -46.7 | 174.8 | -72.9 | -178 | -32 | 0 | 0 | 111.7 | T177 A181 I182 | T177-Q179 PolarHBondContact O-N 3.2Å; T177-Q179 VanDerWaalsContact O-N 3.14Å; Q179-A181 VanDerWaalsContact C-N 3.25Å; Q179-A181 PolarHBondContact O-N 2.6Å; Q179-I182 PolarHBondContact O-N 3.11Å |
| 180 | E | 80.9 | Confident | 83 | Confident | 77 Ų | 77 | 55.9 Ų | 55.9 | 36% | 0.36 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -32 | 176.3 | -68 | 156.3 | 142 | 0 | 0 | 112 | I176 T177 I182 K183 | I176-E180 HydrophobicContact CG2-CB 3.5Å; I176-E180 VanDerWaalsContact CG2-CB 3.5Å; T177-E180 VanDerWaalsContact CB-OE2 3.23Å; T177-E180 WeakPolarHBondContact CB-OE2 3.4Å; T177-E180 VanDerWaalsContact CG2-OE2 3.27Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.43Å; T177-E180 PolarHBondContact N-OE2 3.08Å; T177-E180 PolarHBondContact O-N 2.82Å; T177-E180 VanDerWaalsContact OG1-CD 3.24Å; T177-E180 WeakPolarHBondContact OG1-CG 3.33Å; T177-E180 PolarHBondContact OG1-N 3.01Å; T177-E180 PolarHBondContact OG1-OE2 3.15Å; E180-I182 VanDerWaalsContact C-N 3.34Å; E180-I182 PolarHBondContact O-N 3.02Å; E180-K183 WeakPolarHBondContact O-CE 3.46Å; E180-K183 WeakPolarHBondContact O-CG 3.42Å |
| 181 | A | 82.4 | Confident | 82.7 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -30.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I167 T171 I176 T177 Q179 K183 Y184 | I167-A181 HydrophobicContact CG2-CB 3.81Å; T171-A181 HydrophobicContact CG2-CB 4.5Å; T171-A181 WeakPolarHBondContact OG1-CB 3.48Å; I176-A181 HydrophobicContact CG2-CB 4.29Å; T177-A181 WeakPolarHBondContact O-CB 3.47Å; T177-A181 PolarHBondContact O-N 3.21Å; Q179-A181 VanDerWaalsContact C-N 3.25Å; Q179-A181 PolarHBondContact O-N 2.6Å; A181-K183 VanDerWaalsContact C-N 3.29Å; A181-K183 PolarHBondContact O-N 3.34Å; A181-Y184 PolarHBondContact O-N 3.15Å |
| 182 | I | 80.3 | Confident | 82.7 | Confident | 82 Ų | 82 | 57.1 Ų | 57.1 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -39.6 | -174.5 | -79 | 163.6 | 0 | 0 | 0 | 111.8 | S178 Q179 E180 Y184 S185 L186 | S178-I182 WeakPolarHBondContact O-CD1 3.35Å; S178-I182 WeakPolarHBondContact O-CG1 3.44Å; Q179-I182 PolarHBondContact O-N 3.11Å; E180-I182 VanDerWaalsContact C-N 3.34Å; E180-I182 PolarHBondContact O-N 3.02Å; I182-Y184 PolarHBondContact O-N 3.3Å; I182-S185 PolarHBondContact O-N 2.83Å; I182-S185 PolarHBondContact O-OG 2.74Å; I182-L186 HydrophobicContact CG2-CD1 3.92Å; I182-L186 HydrophobicContact CG2-CD2 3.95Å; I182-L186 HydrophobicContact CG2-CG 3.8Å; I182-L186 PolarHBondContact O-N 2.92Å |
| 183 | K | 81.2 | Confident | 82.7 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.3 | -176 | 76.6 | -163.2 | 171.7 | -173.4 | 0 | 114.6 | P84 E91 E180 A181 | P84-K183 HydrophobicContact CG-CG 4.43Å; E91-K183 IonicContact OE1-NZ 2.69Å; E91-K183 PolarHBondContact OE1-NZ 3.36Å; E91-K183 WeakPolarHBondContact OE2-CE 3.45Å; E91-K183 IonicContact OE2-NZ 3.17Å; E91-K183 PolarHBondContact OE2-NZ 2.98Å; E180-K183 WeakPolarHBondContact O-CE 3.46Å; E180-K183 WeakPolarHBondContact O-CG 3.42Å; A181-K183 VanDerWaalsContact C-N 3.29Å; A181-K183 PolarHBondContact O-N 3.34Å |
| 184 | Y | 84 | Confident | 82.6 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -5.5 | 175.4 | -59.7 | -79.4 | 0 | 0 | 0 | 113.9 | P84 I87 E91 I95 I163 I167 A181 I182 | P84-Y184 HydrophobicContact CG-CD1 3.8Å; P84-Y184 HydrophobicContact CG-CE1 3.93Å; I87-Y184 HydrophobicContact CD1-CE1 4.16Å; I87-Y184 HydrophobicContact CG1-CE1 4.44Å; I87-Y184 WeakPolarHBondContact CG2-OH 3.33Å; E91-Y184 WeakPolarHBondContact OE2-CE2 3.14Å; E91-Y184 PolarHBondContact OE2-OH 3.05Å; I95-Y184 HydrophobicContact CD1-CE1 3.98Å; I163-Y184 HydrophobicContact CG2-CD1 3.8Å; I163-Y184 HydrophobicContact CG2-CG 4.18Å; I167-Y184 HydrophobicContact CD1-CD1 4.21Å; I167-Y184 HydrophobicContact CD1-CD2 3.54Å; I167-Y184 HydrophobicContact CD1-CE1 4.33Å; I167-Y184 HydrophobicContact CD1-CE2 3.68Å; I167-Y184 HydrophobicContact CD1-CG 3.82Å; I167-Y184 HydrophobicContact CG1-CD1 4.3Å; I167-Y184 HydrophobicContact CG1-CD2 3.88Å; I167-Y184 HydrophobicContact CG1-CE2 4.5Å; I167-Y184 HydrophobicContact CG1-CG 3.76Å; I167-Y184 HydrophobicContact CG2-CD2 4.23Å; A181-Y184 PolarHBondContact O-N 3.15Å; I182-Y184 PolarHBondContact O-N 3.3Å |
| 185 | S | 80.9 | Confident | 82.7 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 6.3 | -174.5 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | Y78 Y81 I182 Q246 | Y78-S185 PolarHBondContact OH-O 2.9Å; Y81-S185 WeakPolarHBondContact CD1-O 3.31Å; Y81-S185 WeakPolarHBondContact CE1-O 3.35Å; I182-S185 PolarHBondContact O-N 2.83Å; I182-S185 PolarHBondContact O-OG 2.74Å; S185-Q246 PolarHBondContact O-NE2 3.2Å |
| 186 | L | 83.4 | Confident | 82.6 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | trans | -85.9 | 143.6 | 174.7 | -69.6 | 176.2 | 0 | 0 | 0 | 111.6 | Y81 E82 I182 E190 H191 I194 | Y81-L186 WeakPolarHBondContact CA-O 3.5Å; E82-L186 PolarHBondContact N-O 2.77Å; I182-L186 HydrophobicContact CG2-CD1 3.92Å; I182-L186 HydrophobicContact CG2-CD2 3.95Å; I182-L186 HydrophobicContact CG2-CG 3.8Å; I182-L186 PolarHBondContact O-N 2.92Å; L186-E190 HydrophobicContact CD2-CB 4.18Å; L186-E190 HydrophobicContact CD2-CG 3.77Å; L186-H191 WeakPolarHBondContact CD1-ND1 3.43Å; L186-I194 HydrophobicContact CD1-CD1 3.64Å; L186-I194 HydrophobicContact CD2-CD1 3.59Å; L186-I194 HydrophobicContact CG-CD1 4.29Å | ||
| 187 | S | 84.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -84.3 | 155.6 | 157.1 | 65.7 | 0 | 0 | 0 | 0 | 111 | Y78 E80 T189 E190 H191 | Y78-S187 VanDerWaalsContact CE1-CB 3.41Å; Y78-S187 PolarHBondContact O-OG 3.39Å; Y78-S187 PolarHBondContact OH-N 2.81Å; E80-S187 WeakPolarHBondContact O-CB 3.36Å; S187-T189 PolarHBondContact O-N 2.98Å; S187-E190 PolarHBondContact O-N 3.24Å; S187-E190 PolarHBondContact OG-N 2.9Å; S187-H191 PolarHBondContact O-N 3.21Å |
| 188 | V | 77.5 | Confident | 82.5 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 16% | 0.158 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.8 | -34.5 | 173 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | P51 Y55 E82 H191 E192 | P51-V188 HydrophobicContact CB-CG1 4.13Å; P51-V188 HydrophobicContact CB-CG2 4.26Å; P51-V188 HydrophobicContact CG-CG2 4.38Å; Y55-V188 HydrophobicContact CE1-CG1 3.92Å; Y55-V188 WeakPolarHBondContact OH-CA 3.41Å; Y55-V188 WeakPolarHBondContact OH-CG1 3.46Å; E82-V188 HydrophobicContact CB-CG2 4.29Å; E82-V188 HydrophobicContact CG-CG2 4.08Å; V188-H191 PolarHBondContact O-N 2.84Å; V188-E192 WeakPolarHBondContact O-CB 3.28Å; V188-E192 VanDerWaalsContact O-CG 3.26Å; V188-E192 WeakPolarHBondContact O-CG 3.25Å; V188-E192 PolarHBondContact O-N 3.1Å |
| 189 | T | 81.4 | Confident | 82.9 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 26% | 0.258 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 176.2 | -30.4 | 0 | 0 | 0 | 0 | 112.5 | L74 Y78 S187 I193 | L74-T189 HydrophobicContact CD2-CG2 4.09Å; Y78-T189 PolarHBondContact O-OG1 3.44Å; S187-T189 PolarHBondContact O-N 2.98Å; T189-I193 WeakPolarHBondContact O-CD1 2.96Å; T189-I193 WeakPolarHBondContact O-CG1 3.37Å; T189-I193 PolarHBondContact O-N 3.32Å |
| 190 | E | 85.8 | Confident | 83.1 | Confident | 33 Ų | 33 | 31.5 Ų | 31.5 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.9 | -37 | 176.8 | -172 | 168 | -171.3 | 0 | 0 | 111.1 | Y78 L186 S187 I193 I194 L250 | Y78-E190 HydrophobicContact CE2-CB 4.43Å; Y78-E190 WeakPolarHBondContact CE2-OE2 3.49Å; Y78-E190 VanDerWaalsContact CZ-OE2 3.27Å; Y78-E190 PolarHBondContact OH-OE2 3.01Å; L186-E190 HydrophobicContact CD2-CB 4.18Å; L186-E190 HydrophobicContact CD2-CG 3.77Å; S187-E190 PolarHBondContact O-N 3.24Å; S187-E190 PolarHBondContact OG-N 2.9Å; E190-I193 CarbonylContact O-C 3.6Å; E190-I193 PolarHBondContact O-N 2.89Å; E190-I193 VanDerWaalsContact O-N 3.1Å; E190-I194 HydrophobicContact CG-CD1 4.04Å; E190-I194 HydrophobicContact CG-CG1 4.41Å; E190-I194 VanDerWaalsContact O-CG1 3.32Å; E190-I194 WeakPolarHBondContact O-CG1 3.28Å; E190-I194 PolarHBondContact O-N 3.38Å; E190-L250 HydrophobicContact CB-CD2 3.86Å; E190-L250 HydrophobicContact CG-CD1 3.91Å; E190-L250 HydrophobicContact CG-CD2 3.72Å; E190-L250 HydrophobicContact CG-CG 4.44Å |
| 191 | H | 81.3 | Confident | 83.1 | Confident | 52 Ų | 52 | 33.3 Ų | 33.3 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 175.1 | -151.8 | 97.5 | 0 | 0 | 0 | 112.2 | Y55 L186 S187 V188 I193 I194 L195 | Y55-H191 AromaticContact CD1-CD2 3.74Å; Y55-H191 AromaticContact CD2-CD2 3.78Å; Y55-H191 HydrophobicContact CE1-CB 3.67Å; Y55-H191 AromaticContact CE1-CD2 3.55Å; Y55-H191 AromaticContact CE1-CG 3.89Å; Y55-H191 AromaticContact CE2-CD2 3.6Å; Y55-H191 AromaticContact CG-CD2 3.87Å; Y55-H191 AromaticContact CZ-CD2 3.49Å; Y55-H191 VanDerWaalsContact CZ-CD2 3.49Å; Y55-H191 AromaticContact CZ-CG 3.66Å; Y55-H191 WeakPolarHBondContact OH-CB 3.19Å; L186-H191 WeakPolarHBondContact CD1-ND1 3.43Å; S187-H191 PolarHBondContact O-N 3.21Å; V188-H191 PolarHBondContact O-N 2.84Å; H191-I193 VanDerWaalsContact C-N 3.26Å; H191-I193 PolarHBondContact O-N 2.92Å; H191-I194 PolarHBondContact O-N 3.21Å; H191-L195 WeakPolarHBondContact O-CG 3.38Å; H191-L195 PolarHBondContact O-N 3.03Å |
| 192 | E | 84.6 | Confident | 83 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.1 | -38.2 | 168.6 | -76.8 | 167.9 | 159.6 | 0 | 0 | 112 | R37 C54 Y55 F70 V188 G196 | R37-E192 IonicContact CZ-OE1 3.2Å; R37-E192 IonicContact CZ-OE2 3.18Å; R37-E192 IonicContact NE-OE1 2.8Å; R37-E192 PolarHBondContact NE-OE1 2.93Å; R37-E192 IonicContact NE-OE2 2.67Å; R37-E192 IonicContact NH1-OE1 3.11Å; R37-E192 PolarHBondContact NH1-OE1 3.19Å; R37-E192 IonicContact NH2-OE1 2.76Å; R37-E192 PolarHBondContact NH2-OE1 3.11Å; R37-E192 IonicContact NH2-OE2 2.7Å; R37-E192 PolarHBondContact NH2-OE2 3.08Å; C54-E192 HydrophobicContact CB-CG 4.44Å; Y55-E192 HydrophobicContact CD1-CG 4.43Å; Y55-E192 HydrophobicContact CE1-CG 4.2Å; F70-E192 HydrophobicContact CZ-CB 4.33Å; F70-E192 WeakPolarHBondContact CZ-O 3.38Å; V188-E192 WeakPolarHBondContact O-CB 3.28Å; V188-E192 VanDerWaalsContact O-CG 3.26Å; V188-E192 WeakPolarHBondContact O-CG 3.25Å; V188-E192 PolarHBondContact O-N 3.1Å; E192-G196 WeakPolarHBondContact O-CA 3.37Å; E192-G196 PolarHBondContact O-N 3.05Å |
| 193 | I | 87.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -78 | -37.2 | 177.6 | -72.5 | 165.6 | 0 | 0 | 0 | 112.4 | F70 L74 T189 E190 H191 I197 L198 L250 L255 | F70-I193 HydrophobicContact CE1-CG1 4.22Å; F70-I193 HydrophobicContact CZ-CG1 4.44Å; L74-I193 HydrophobicContact CD1-CD1 3.94Å; L74-I193 HydrophobicContact CD2-CD1 4.07Å; L74-I193 HydrophobicContact CG-CD1 4.4Å; T189-I193 WeakPolarHBondContact O-CD1 2.96Å; T189-I193 WeakPolarHBondContact O-CG1 3.37Å; T189-I193 PolarHBondContact O-N 3.32Å; E190-I193 CarbonylContact O-C 3.6Å; E190-I193 PolarHBondContact O-N 2.89Å; E190-I193 VanDerWaalsContact O-N 3.1Å; H191-I193 VanDerWaalsContact C-N 3.26Å; H191-I193 PolarHBondContact O-N 2.92Å; I193-I197 HydrophobicContact CG2-CB 4.47Å; I193-I197 HydrophobicContact CG2-CD1 4.37Å; I193-I197 WeakPolarHBondContact O-CA 3.35Å; I193-I197 WeakPolarHBondContact O-CB 3.4Å; I193-I197 PolarHBondContact O-N 3.41Å; I193-L198 HydrophobicContact CG2-CG 4.39Å; I193-L198 PolarHBondContact O-N 2.96Å; I193-L250 HydrophobicContact CD1-CD2 4.17Å; I193-L250 HydrophobicContact CG2-CD1 4.13Å; I193-L255 HydrophobicContact CG2-CD2 4.16Å |
| 194 | I | 85.1 | Confident | 82.8 | Confident | 29 Ų | 29 | 35 Ų | 35 | 15% | 0.149 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -57.7 | -51.8 | 174 | -74.6 | 160.6 | 0 | 0 | 0 | 108.9 | L186 E190 H191 L198 N199 | L186-I194 HydrophobicContact CD1-CD1 3.64Å; L186-I194 HydrophobicContact CD2-CD1 3.59Å; L186-I194 HydrophobicContact CG-CD1 4.29Å; E190-I194 HydrophobicContact CG-CD1 4.04Å; E190-I194 HydrophobicContact CG-CG1 4.41Å; E190-I194 VanDerWaalsContact O-CG1 3.32Å; E190-I194 WeakPolarHBondContact O-CG1 3.28Å; E190-I194 PolarHBondContact O-N 3.38Å; H191-I194 PolarHBondContact O-N 3.21Å; I194-L198 HydrophobicContact CG1-CD1 3.91Å; I194-L198 PolarHBondContact O-N 2.59Å; I194-N199 WeakPolarHBondContact O-CB 3.42Å; I194-N199 PolarHBondContact O-N 3.15Å |
| 195 | L | 82.9 | Confident | 82.7 | Confident | 20 Ų | 20 | 37.1 Ų | 37.1 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -67.7 | -51.7 | 177.7 | -64.3 | 169.6 | 0 | 0 | 0 | 111.6 | Y55 V58 K62 H191 I197 | Y55-L195 VanDerWaalsContact CB-CD1 3.47Å; Y55-L195 HydrophobicContact CD1-CD1 3.78Å; Y55-L195 HydrophobicContact CG-CD1 3.7Å; V58-L195 HydrophobicContact CG1-CB 3.94Å; K62-L195 WeakPolarHBondContact CE-O 3.09Å; K62-L195 PolarHBondContact NZ-O 2.69Å; H191-L195 WeakPolarHBondContact O-CG 3.38Å; H191-L195 PolarHBondContact O-N 3.03Å; L195-I197 PolarHBondContact O-N 2.85Å |
| 196 | G | 83.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -73.3 | -22.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | E192 | E192-G196 WeakPolarHBondContact O-CA 3.37Å; E192-G196 PolarHBondContact O-N 3.05Å |
| 197 | I | 86.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -131.6 | -47.6 | -174.6 | -54.6 | 179.7 | 0 | 0 | 0 | 112.8 | F70 T72 I193 L195 K205 C208 L255 V258 L259 | F70-I197 HydrophobicContact CD1-CD1 3.74Å; F70-I197 HydrophobicContact CD1-CG1 3.48Å; F70-I197 VanDerWaalsContact CD1-CG1 3.48Å; F70-I197 HydrophobicContact CE1-CD1 3.83Å; F70-I197 HydrophobicContact CE1-CG1 3.83Å; F70-I197 HydrophobicContact CG-CG1 4.5Å; T72-I197 HydrophobicContact CG2-CD1 3.86Å; I193-I197 HydrophobicContact CG2-CB 4.47Å; I193-I197 HydrophobicContact CG2-CD1 4.37Å; I193-I197 WeakPolarHBondContact O-CA 3.35Å; I193-I197 WeakPolarHBondContact O-CB 3.4Å; I193-I197 PolarHBondContact O-N 3.41Å; L195-I197 PolarHBondContact O-N 2.85Å; I197-K205 WeakPolarHBondContact O-CE 3.44Å; I197-K205 WeakPolarHBondContact O-CG 3.32Å; I197-C208 HydrophobicContact CG1-CB 4.46Å; I197-L255 HydrophobicContact CD1-CD2 3.68Å; I197-L255 HydrophobicContact CG2-CD2 4.36Å; I197-V258 HydrophobicContact CG2-CG1 4.06Å; I197-L259 HydrophobicContact CD1-CD1 4.4Å; I197-L259 HydrophobicContact CG2-CD2 3.99Å; I197-L259 HydrophobicContact CG2-CG 4.11Å |
| 198 | L | 84.1 | Confident | 83 | Confident | 38 Ų | 38 | 42 Ų | 42 | 20% | 0.199 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -78.8 | -47 | -169.1 | -49.4 | -175.9 | 0 | 0 | 0 | 111.8 | I193 I194 A200 K205 T254 V258 | I193-L198 HydrophobicContact CG2-CG 4.39Å; I193-L198 PolarHBondContact O-N 2.96Å; I194-L198 HydrophobicContact CG1-CD1 3.91Å; I194-L198 PolarHBondContact O-N 2.59Å; L198-A200 VanDerWaalsContact C-N 3.25Å; L198-A200 PolarHBondContact O-N 2.92Å; L198-K205 VanDerWaalsContact O-CE 3.25Å; L198-K205 WeakPolarHBondContact O-CE 3.41Å; L198-K205 PolarHBondContact O-NZ 3.43Å; L198-T254 HydrophobicContact CD1-CG2 3.8Å; L198-T254 HydrophobicContact CD2-CG2 3.95Å; L198-V258 HydrophobicContact CD2-CB 4.26Å; L198-V258 HydrophobicContact CD2-CG1 4.42Å; L198-V258 HydrophobicContact CD2-CG2 3.85Å |
| 199 | N | 84.7 | Confident | 83.7 | Confident | 106 Ų | 106 | 40.7 Ų | 40.7 | 57% | 0.567 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -85.2 | 10.1 | 174.5 | -61 | 1.8 | 0 | 0 | 0 | 112.7 | I194 | I194-N199 WeakPolarHBondContact O-CB 3.42Å; I194-N199 PolarHBondContact O-N 3.15Å |
| 200 | A | 82.1 | Confident | 84.1 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -84.8 | 151.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L198 D204 K205 | L198-A200 VanDerWaalsContact C-N 3.25Å; L198-A200 PolarHBondContact O-N 2.92Å; A200-D204 HydrophobicContact CB-CB 3.88Å; A200-K205 HydrophobicContact CB-CG 4.37Å; A200-K205 WeakPolarHBondContact O-CD 3.49Å; A200-K205 WeakPolarHBondContact O-CE 3.48Å; A200-K205 PolarHBondContact O-NZ 2.77Å |
| 201 | D | 82.2 | Confident | 84.5 | Confident | 114 Ų | 114 | 37.2 Ų | 37.2 | 61% | 0.61 | 19% | 0.188 | S | C | * | . | trans | -73.6 | 166.8 | -179.7 | -78.2 | -26.8 | 0 | 0 | 0 | 112.6 | S203 D204 K205 | D201-S203 WeakPolarHBondContact CB-OG 3.3Å; D201-S203 PolarHBondContact O-N 2.86Å; D201-S203 VanDerWaalsContact O-N 3.15Å; D201-D204 PolarHBondContact O-N 2.69Å; D201-K205 WeakPolarHBondContact O-CB 3.16Å; D201-K205 WeakPolarHBondContact O-CG 3.38Å; D201-K205 PolarHBondContact O-N 3.25Å | ||
| 202 | D | 78.8 | Confident | 84.9 | Confident | 121 Ų | 121 | 34.9 Ų | 34.9 | 65% | 0.647 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.6 | 178.5 | -83.5 | -5.3 | 0 | 0 | 0 | 113.4 | R206 | D202-R206 PolarHBondContact O-NE 3.4Å; D202-R206 PolarHBondContact O-NH2 3.28Å |
| 203 | S | 78.5 | Confident | 85.3 | Confident | 54 Ų | 54 | 34.3 Ų | 34.3 | 38% | 0.378 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -59 | 161.2 | 39.7 | 0 | 0 | 0 | 0 | 111 | D201 R206 | D201-S203 WeakPolarHBondContact CB-OG 3.3Å; D201-S203 PolarHBondContact O-N 2.86Å; D201-S203 VanDerWaalsContact O-N 3.15Å; S203-R206 WeakPolarHBondContact O-CB 3.29Å; S203-R206 PolarHBondContact O-N 3.42Å |
| 204 | D | 80.1 | Confident | 85.4 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70 | -38.5 | -173.2 | -67.8 | -14.6 | 0 | 0 | 0 | 112.7 | A200 D201 R206 K207 C208 | A200-D204 HydrophobicContact CB-CB 3.88Å; D201-D204 PolarHBondContact O-N 2.69Å; D204-R206 PolarHBondContact O-N 2.88Å; D204-K207 CarbonylContact O-C 3.52Å; D204-K207 WeakPolarHBondContact O-CA 3.3Å; D204-K207 VanDerWaalsContact O-CB 3.31Å; D204-K207 WeakPolarHBondContact O-CB 3.32Å; D204-K207 PolarHBondContact O-N 2.92Å; D204-C208 PolarHBondContact O-N 2.98Å; D204-C208 PolarHBondContact O-SG 3.18Å |
| 205 | K | 81.6 | Confident | 85.5 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.4 | -26.1 | 172.8 | -76.1 | 164.9 | 171.2 | 145.6 | 0 | 113 | I197 L198 A200 D201 V258 | I197-K205 WeakPolarHBondContact O-CE 3.44Å; I197-K205 WeakPolarHBondContact O-CG 3.32Å; L198-K205 VanDerWaalsContact O-CE 3.25Å; L198-K205 WeakPolarHBondContact O-CE 3.41Å; L198-K205 PolarHBondContact O-NZ 3.43Å; A200-K205 HydrophobicContact CB-CG 4.37Å; A200-K205 WeakPolarHBondContact O-CD 3.49Å; A200-K205 WeakPolarHBondContact O-CE 3.48Å; A200-K205 PolarHBondContact O-NZ 2.77Å; D201-K205 WeakPolarHBondContact O-CB 3.16Å; D201-K205 WeakPolarHBondContact O-CG 3.38Å; D201-K205 PolarHBondContact O-N 3.25Å; K205-V258 HydrophobicContact CD-CG1 3.95Å; K205-V258 HydrophobicContact CG-CG1 4.12Å |
| 206 | R | 80.7 | Confident | 85.5 | Confident | 115 Ų | 115 | 37.6 Ų | 37.6 | 43% | 0.434 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -77.9 | -26.8 | 172.1 | -75.1 | 177.1 | -84.1 | 160.6 | -10.5 | 113.4 | D202 S203 D204 L299 E306 | D202-R206 PolarHBondContact O-NE 3.4Å; D202-R206 PolarHBondContact O-NH2 3.28Å; S203-R206 WeakPolarHBondContact O-CB 3.29Å; S203-R206 PolarHBondContact O-N 3.42Å; D204-R206 PolarHBondContact O-N 2.88Å; R206-L299 WeakPolarHBondContact O-CD2 3.43Å; R206-E306 IonicContact NH1-OE1 2.6Å |
| 207 | K | 84.7 | Confident | 85.5 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 19% | 0.191 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -81 | -26.5 | 176.8 | -60.5 | 173.6 | 165.5 | -171.1 | 0 | 112.5 | S65 I66 G67 T69 D204 | S65-K207 PolarHBondContact O-NZ 3.31Å; I66-K207 WeakPolarHBondContact O-CE 3.32Å; I66-K207 PolarHBondContact O-NZ 2.84Å; I66-K207 VanDerWaalsContact O-NZ 3.11Å; G67-K207 WeakPolarHBondContact O-CD 3.41Å; T69-K207 HydrophobicContact CG2-CD 3.74Å; D204-K207 CarbonylContact O-C 3.52Å; D204-K207 WeakPolarHBondContact O-CA 3.3Å; D204-K207 VanDerWaalsContact O-CB 3.31Å; D204-K207 WeakPolarHBondContact O-CB 3.32Å; D204-K207 PolarHBondContact O-N 2.92Å |
| 208 | C | 89.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -79.1 | 155 | -176.3 | -60.8 | 0 | 0 | 0 | 0 | 115.1 | T69 F70 I197 D204 L259 N263 | T69-C208 PolarHBondContact OG1-SG 3.39Å; T69-C208 VanDerWaalsContact OG1-SG 3.39Å; F70-C208 VanDerWaalsContact O-CA 3.23Å; F70-C208 WeakPolarHBondContact O-CA 3.4Å; F70-C208 WeakPolarHBondContact O-CB 3.39Å; I197-C208 HydrophobicContact CG1-CB 4.46Å; D204-C208 PolarHBondContact O-N 2.98Å; D204-C208 PolarHBondContact O-SG 3.18Å; C208-L259 HydrophobicContact CB-CD2 4.06Å; C208-N263 PolarHBondContact O-ND2 2.87Å | ||
| 209 | A | 91 | Very high | 85.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 160 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F70 I71 T72 F211 N263 L299 | F70-A209 PolarHBondContact O-N 3.13Å; I71-A209 WeakPolarHBondContact CA-O 3.24Å; I71-A209 HydrophobicContact CG1-CB 4.44Å; I71-A209 HydrophobicContact CG2-CB 4.41Å; T72-A209 PolarHBondContact N-O 3.12Å; A209-F211 HydrophobicContact CB-CE2 4.14Å; A209-N263 WeakPolarHBondContact CA-O 3.3Å; A209-L299 HydrophobicContact CB-CD1 4.04Å |
| 210 | A | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T72 L255 L259 N263 I264 R265 | T72-A210 HydrophobicContact CG2-CB 3.63Å; T72-A210 WeakPolarHBondContact O-CA 3.38Å; A210-L255 HydrophobicContact CB-CD1 4.03Å; A210-L259 HydrophobicContact CB-CD1 3.67Å; A210-N263 PolarHBondContact N-O 2.92Å; A210-I264 CarbonylContact O-C 3.56Å; A210-I264 WeakPolarHBondContact O-CA 3.35Å; A210-R265 PolarHBondContact O-N 2.79Å |
| 211 | F | 93.1 | Very high | 85.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.7 | 176 | -63.6 | -103 | 0 | 0 | 0 | 109 | I71 T72 V73 L74 A209 R265 Y267 F288 F292 K295 | I71-F211 HydrophobicContact CG2-CD2 3.76Å; I71-F211 HydrophobicContact CG2-CE2 3.68Å; T72-F211 PolarHBondContact O-N 2.96Å; V73-F211 CarbonylContact C-O 3.55Å; V73-F211 VanDerWaalsContact CA-O 3.28Å; V73-F211 WeakPolarHBondContact CA-O 3.15Å; V73-F211 HydrophobicContact CG1-CB 4.31Å; V73-F211 HydrophobicContact CG2-CB 4.4Å; L74-F211 PolarHBondContact N-O 3.26Å; A209-F211 HydrophobicContact CB-CE2 4.14Å; F211-R265 CarbonylContact C-O 3.58Å; F211-R265 WeakPolarHBondContact CA-O 3.38Å; F211-R265 HydrophobicContact CD1-CB 3.71Å; F211-R265 HydrophobicContact CD1-CG 4.15Å; F211-R265 HydrophobicContact CE1-CB 4.01Å; F211-R265 HydrophobicContact CE1-CG 3.9Å; F211-R265 HydrophobicContact CG-CB 4.38Å; F211-Y267 HydrophobicContact CB-CE2 4.49Å; F211-Y267 HydrophobicContact CD1-CE2 4.09Å; F211-F288 HydrophobicContact CB-CE2 3.99Å; F211-F288 HydrophobicContact CD1-CD2 4.2Å; F211-F288 AromaticContact CD1-CE2 3.94Å; F211-F288 HydrophobicContact CD1-CE2 3.94Å; F211-F288 HydrophobicContact CG-CE2 4.16Å; F211-F292 HydrophobicContact CD1-CD2 4.33Å; F211-F292 HydrophobicContact CD2-CD2 4.03Å; F211-F292 HydrophobicContact CD2-CE2 4.31Å; F211-F292 HydrophobicContact CE1-CB 3.93Å; F211-F292 AromaticContact CE1-CD2 3.95Å; F211-F292 HydrophobicContact CE1-CD2 3.95Å; F211-F292 HydrophobicContact CE1-CG 4.33Å; F211-F292 AromaticContact CE2-CD2 3.62Å; F211-F292 HydrophobicContact CE2-CD2 3.62Å; F211-F292 AromaticContact CE2-CE2 3.98Å; F211-F292 HydrophobicContact CE2-CE2 3.98Å; F211-F292 HydrophobicContact CE2-CG 4.47Å; F211-F292 HydrophobicContact CG-CD2 4.39Å; F211-F292 HydrophobicContact CZ-CB 4.06Å; F211-F292 AromaticContact CZ-CD2 3.59Å; F211-F292 HydrophobicContact CZ-CD2 3.59Å; F211-F292 HydrophobicContact CZ-CE2 4.37Å; F211-F292 HydrophobicContact CZ-CG 4.04Å; F211-K295 HydrophobicContact CZ-CB 4.23Å; F211-K295 HydrophobicContact CZ-CG 4.33Å |
| 212 | T | 91.1 | Very high | 85.2 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.5 | -173.3 | 84 | 0 | 0 | 0 | 0 | 112.1 | L74 R251 R265 N266 Y267 | L74-T212 CarbonylContact O-C 3.6Å; L74-T212 WeakPolarHBondContact O-CA 3.34Å; T212-R251 HydrophobicContact CG2-CG 3.67Å; T212-R265 PolarHBondContact N-O 3.21Å; T212-N266 VanDerWaalsContact OG1-CG 3.28Å; T212-N266 PolarHBondContact OG1-OD1 3.02Å; T212-Y267 WeakPolarHBondContact O-CD2 3.37Å; T212-Y267 PolarHBondContact O-N 3.47Å |
| 213 | R | 91.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.2 | 173.5 | 176.9 | 173.8 | 51.8 | 60.5 | -10.7 | 110.7 | D3 E7 L74 G75 R251 Y267 I269 | D3-R213 PolarHBondContact O-NH2 3Å; D3-R213 IonicContact OD1-CZ 3.71Å; D3-R213 IonicContact OD1-NH1 3.53Å; D3-R213 PolarHBondContact OD1-NH1 3.45Å; D3-R213 IonicContact OD1-NH2 2.99Å; D3-R213 PolarHBondContact OD1-NH2 2.95Å; E7-R213 WeakPolarHBondContact OE1-CD 3.34Å; E7-R213 IonicContact OE1-CZ 2.81Å; E7-R213 IonicContact OE1-NE 3.6Å; E7-R213 PolarHBondContact OE1-NE 3.23Å; E7-R213 IonicContact OE1-NH2 3.92Å; L74-R213 PolarHBondContact O-N 3.16Å; G75-R213 CarbonylContact C-O 3.57Å; G75-R213 WeakPolarHBondContact CA-O 3.31Å; R213-R251 PolarHBondContact O-NH1 3.23Å; R213-R251 VanDerWaalsContact O-NH1 3.1Å; R213-Y267 CarbonylContact C-O 3.55Å; R213-Y267 WeakPolarHBondContact CA-O 3.46Å; R213-I269 VanDerWaalsContact CD-CD1 3.42Å; R213-I269 HydrophobicContact CG-CD1 3.86Å; R213-I269 HydrophobicContact CG-CG1 4.28Å |
| 214 | T | 89.9 | Confident | 85.6 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 20% | 0.202 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.7 | 167.2 | -57.4 | 0 | 0 | 0 | 0 | 109.3 | R251 Y267 E268 I269 | T214-R251 VanDerWaalsContact OG1-CZ 3.31Å; T214-R251 PolarHBondContact OG1-NH1 2.74Å; T214-R251 PolarHBondContact OG1-NH2 3.4Å; T214-Y267 PolarHBondContact N-O 3.06Å; T214-E268 CarbonylContact O-C 3.35Å; T214-E268 WeakPolarHBondContact O-CA 3.46Å; T214-I269 PolarHBondContact O-N 3.42Å |
| 215 | I | 87.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.7 | 166.7 | -40.8 | -178.5 | 0 | 0 | 0 | 107.7 | Q76 V221 F230 I269 W271 I274 | Q76-I215 VanDerWaalsContact OE1-CB 3.28Å; Q76-I215 VanDerWaalsContact OE1-CG1 3.31Å; Q76-I215 PolarHBondContact OE1-O 3.29Å; I215-V221 HydrophobicContact CG2-CG2 3.86Å; I215-F230 HydrophobicContact CD1-CB 3.9Å; I215-F230 HydrophobicContact CD1-CD1 3.97Å; I215-F230 HydrophobicContact CD1-CG 4.11Å; I215-I269 CarbonylContact C-O 3.52Å; I215-I269 WeakPolarHBondContact CA-O 3.39Å; I215-W271 HydrophobicContact CD1-CE3 4.2Å; I215-W271 HydrophobicContact CD1-CZ3 4.2Å; I215-W271 HydrophobicContact CG2-CB 3.99Å; I215-W271 HydrophobicContact CG2-CE3 3.9Å; I215-I274 HydrophobicContact CB-CD1 4.33Å; I215-I274 HydrophobicContact CD1-CD1 3.82Å; I215-I274 HydrophobicContact CG1-CD1 3.62Å; I215-I274 HydrophobicContact CG2-CD1 3.95Å |
| 216 | K | 82.1 | Confident | 85.5 | Confident | 84 Ų | 84 | 54 Ų | 54 | 37% | 0.365 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -83 | 178.7 | 168.7 | -54.6 | -169.1 | 179.2 | -159.2 | 0 | 110.1 | I218 E268 I269 | K216-I218 PolarHBondContact O-N 3.4Å; K216-E268 WeakPolarHBondContact CE-OE2 3.49Å; K216-E268 IonicContact NZ-OE2 2.73Å; K216-E268 PolarHBondContact NZ-OE2 3.03Å; K216-I269 PolarHBondContact N-O 2.96Å |
| 217 | E | 84.8 | Confident | 85.6 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | trans | 49.8 | 48 | 178.1 | -52.7 | 79.4 | -131.4 | 0 | 0 | 114.3 | D219 E220 V221 P270 W271 | E217-D219 PolarHBondContact O-N 3.41Å; E217-E220 HydrophobicContact CB-CB 4.2Å; E217-E220 HydrophobicContact CB-CG 3.97Å; E217-E220 WeakPolarHBondContact O-CA 3.38Å; E217-E220 WeakPolarHBondContact O-CB 3.27Å; E217-E220 PolarHBondContact O-N 3.05Å; E217-V221 PolarHBondContact O-N 3.44Å; E217-P270 WeakPolarHBondContact OE2-CA 3.41Å; E217-P270 VanDerWaalsContact OE2-CB 3.28Å; E217-P270 WeakPolarHBondContact OE2-CB 3.29Å; E217-W271 PolarHBondContact OE2-N 3.19Å; E217-W271 VanDerWaalsContact OE2-N 3.09Å | ||
| 218 | I | 81.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 23% | 0.226 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.2 | -32.9 | -176.7 | -61.9 | 178.3 | 0 | 0 | 0 | 112.4 | K216 E220 V221 L222 L231 F244 | K216-I218 PolarHBondContact O-N 3.4Å; I218-E220 VanDerWaalsContact C-N 3.26Å; I218-E220 PolarHBondContact O-N 2.94Å; I218-V221 WeakPolarHBondContact O-CB 3.47Å; I218-V221 PolarHBondContact O-N 2.91Å; I218-V221 VanDerWaalsContact O-N 3.13Å; I218-L222 HydrophobicContact CG2-CD1 4.12Å; I218-L222 HydrophobicContact CG2-CG 4.28Å; I218-L222 WeakPolarHBondContact O-CG 3.28Å; I218-L222 PolarHBondContact O-N 2.9Å; I218-L231 HydrophobicContact CG2-CD1 4.11Å; I218-F244 HydrophobicContact CD1-CE2 4.2Å; I218-F244 HydrophobicContact CD1-CZ 3.7Å |
| 219 | D | 82 | Confident | 85 | Confident | 123 Ų | 123 | 55.3 Ų | 55.3 | 66% | 0.658 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.6 | -26.6 | 175.7 | -58.6 | -55.6 | 0 | 0 | 0 | 113.6 | E217 Q223 | E217-D219 PolarHBondContact O-N 3.41Å; D219-Q223 WeakPolarHBondContact O-CG 3.27Å; D219-Q223 PolarHBondContact O-NE2 2.88Å |
| 220 | E | 83.2 | Confident | 84.8 | Confident | 98 Ų | 98 | 56 Ų | 56 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -77.3 | -41.6 | 170 | -63.2 | -174.3 | -175.2 | 0 | 0 | 111.1 | E217 I218 L222 Q223 S224 | E217-E220 HydrophobicContact CB-CB 4.2Å; E217-E220 HydrophobicContact CB-CG 3.97Å; E217-E220 WeakPolarHBondContact O-CA 3.38Å; E217-E220 WeakPolarHBondContact O-CB 3.27Å; E217-E220 PolarHBondContact O-N 3.05Å; I218-E220 VanDerWaalsContact C-N 3.26Å; I218-E220 PolarHBondContact O-N 2.94Å; E220-L222 VanDerWaalsContact C-N 3.26Å; E220-L222 PolarHBondContact O-N 3.17Å; E220-Q223 PolarHBondContact O-N 3.25Å; E220-S224 PolarHBondContact O-N 3.18Å; E220-S224 VanDerWaalsContact O-N 3.1Å |
| 221 | V | 82.9 | Confident | 84.6 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.1 | -43.5 | 176.3 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | I215 E217 I218 Q223 S224 A227 L231 W271 | I215-V221 HydrophobicContact CG2-CG2 3.86Å; E217-V221 PolarHBondContact O-N 3.44Å; I218-V221 WeakPolarHBondContact O-CB 3.47Å; I218-V221 PolarHBondContact O-N 2.91Å; I218-V221 VanDerWaalsContact O-N 3.13Å; V221-Q223 VanDerWaalsContact C-N 3.27Å; V221-Q223 PolarHBondContact O-N 3.12Å; V221-S224 PolarHBondContact O-N 3.42Å; V221-A227 WeakPolarHBondContact O-CB 3.44Å; V221-L231 HydrophobicContact CB-CD1 4.15Å; V221-L231 HydrophobicContact CG1-CD1 3.73Å; V221-L231 HydrophobicContact CG1-CG 4.24Å; V221-W271 HydrophobicContact CB-CD2 4.34Å; V221-W271 HydrophobicContact CB-CE3 4.39Å; V221-W271 HydrophobicContact CG1-CD2 4.43Å; V221-W271 HydrophobicContact CG1-CE3 4.1Å; V221-W271 HydrophobicContact CG1-CH2 4.24Å; V221-W271 HydrophobicContact CG1-CZ3 3.99Å; V221-W271 HydrophobicContact CG2-CB 3.99Å; V221-W271 HydrophobicContact CG2-CD2 3.76Å; V221-W271 HydrophobicContact CG2-CE3 3.73Å; V221-W271 HydrophobicContact CG2-CG 3.88Å; V221-W271 HydrophobicContact CG2-CZ3 4.45Å |
| 222 | L | 82.9 | Confident | 84.3 | Confident | 58 Ų | 58 | 56.4 Ų | 56.4 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.7 | 178.2 | -69.3 | 170.8 | 0 | 0 | 0 | 113.8 | I218 E220 L231 M233 L239 | I218-L222 HydrophobicContact CG2-CD1 4.12Å; I218-L222 HydrophobicContact CG2-CG 4.28Å; I218-L222 WeakPolarHBondContact O-CG 3.28Å; I218-L222 PolarHBondContact O-N 2.9Å; E220-L222 VanDerWaalsContact C-N 3.26Å; E220-L222 PolarHBondContact O-N 3.17Å; L222-L231 HydrophobicContact CD2-CD1 3.88Å; L222-L231 HydrophobicContact CG-CD1 4.25Å; L222-M233 HydrophobicContact CD2-CE 3.67Å; L222-M233 HydrophobicContact CD2-SD 3.67Å; L222-L239 HydrophobicContact CD2-CB 4.09Å |
| 223 | Q | 82.3 | Confident | 83.9 | Confident | 160 Ų | 160 | 57.8 Ų | 57.8 | 75% | 0.748 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -23.8 | 174.5 | -71.1 | 171.8 | 72.3 | 0 | 0 | 112.6 | D219 E220 V221 | D219-Q223 WeakPolarHBondContact O-CG 3.27Å; D219-Q223 PolarHBondContact O-NE2 2.88Å; E220-Q223 PolarHBondContact O-N 3.25Å; V221-Q223 VanDerWaalsContact C-N 3.27Å; V221-Q223 PolarHBondContact O-N 3.12Å |
| 224 | S | 83.4 | Confident | 83.3 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -71 | 140.6 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | E220 V221 Q226 A227 E275 | E220-S224 PolarHBondContact O-N 3.18Å; E220-S224 VanDerWaalsContact O-N 3.1Å; V221-S224 PolarHBondContact O-N 3.42Å; S224-Q226 PolarHBondContact O-N 3.47Å; S224-Q226 PolarHBondContact OG-N 3.37Å; S224-Q226 VanDerWaalsContact OG-N 3.1Å; S224-A227 WeakPolarHBondContact O-CB 3.39Å; S224-A227 PolarHBondContact O-N 3.39Å; S224-E275 PolarHBondContact OG-OE1 3.1Å |
| 225 | K | 79.2 | Confident | 82.5 | Confident | 215 Ų | 215 | 67.4 Ų | 67.4 | 94% | 0.935 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -4.2 | 168.9 | -61.7 | -178 | -178.2 | 178.3 | 0 | 113.2 | ||
| 226 | Q | 81.7 | Confident | 81.8 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -5.4 | 177.8 | -53.3 | -160.4 | 79.1 | 0 | 0 | 114 | S224 N228 K229 F230 W271 E275 | S224-Q226 PolarHBondContact O-N 3.47Å; S224-Q226 PolarHBondContact OG-N 3.37Å; S224-Q226 VanDerWaalsContact OG-N 3.1Å; Q226-N228 VanDerWaalsContact C-N 3.32Å; Q226-N228 PolarHBondContact O-N 3.27Å; Q226-N228 VanDerWaalsContact O-N 3.16Å; Q226-K229 HydrophobicContact CB-CD 4.3Å; Q226-K229 VanDerWaalsContact O-CB 3.3Å; Q226-K229 WeakPolarHBondContact O-CB 3.21Å; Q226-K229 WeakPolarHBondContact O-CG 3.39Å; Q226-K229 PolarHBondContact O-N 2.8Å; Q226-F230 HydrophobicContact CB-CE2 4.26Å; Q226-W271 HydrophobicContact CB-CH2 4.11Å; Q226-W271 HydrophobicContact CB-CZ2 4.26Å; Q226-E275 PolarHBondContact NE2-OE1 2.6Å |
| 227 | A | 80.9 | Confident | 81.4 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -41.8 | -54.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V221 S224 K229 F230 L231 M233 | V221-A227 WeakPolarHBondContact O-CB 3.44Å; S224-A227 WeakPolarHBondContact O-CB 3.39Å; S224-A227 PolarHBondContact O-N 3.39Å; A227-K229 PolarHBondContact O-N 2.91Å; A227-F230 PolarHBondContact O-N 2.74Å; A227-L231 PolarHBondContact O-N 2.82Å; A227-M233 HydrophobicContact CB-CE 4.22Å |
| 228 | N | 81.5 | Confident | 81.3 | Confident | 105 Ų | 105 | 70.9 Ų | 70.9 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.8 | -0.5 | -177.6 | -52 | 30.7 | 0 | 0 | 0 | 114.8 | R77 Q226 | R77-N228 PolarHBondContact NH1-O 3.3Å; Q226-N228 VanDerWaalsContact C-N 3.32Å; Q226-N228 PolarHBondContact O-N 3.27Å; Q226-N228 VanDerWaalsContact O-N 3.16Å |
| 229 | K | 81.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -85.9 | -40.6 | 167.9 | -61.8 | 180 | -175.3 | 178.9 | 0 | 111.8 | K2 R77 Q226 A227 | K2-K229 HydrophobicContact CB-CB 4.16Å; K2-K229 HydrophobicContact CB-CG 4.31Å; K2-K229 HydrophobicContact CD-CG 4.33Å; R77-K229 PolarHBondContact NH1-O 3.11Å; Q226-K229 HydrophobicContact CB-CD 4.3Å; Q226-K229 VanDerWaalsContact O-CB 3.3Å; Q226-K229 WeakPolarHBondContact O-CB 3.21Å; Q226-K229 WeakPolarHBondContact O-CG 3.39Å; Q226-K229 PolarHBondContact O-N 2.8Å; A227-K229 PolarHBondContact O-N 2.91Å |
| 230 | F | 86 | Confident | 81.7 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -107.6 | -20.9 | -166.6 | -58.7 | -87.2 | 0 | 0 | 0 | 113.8 | D3 Q76 R77 I215 Q226 A227 W271 I274 | D3-F230 WeakPolarHBondContact O-CE1 3.38Å; D3-F230 VanDerWaalsContact OD1-CD1 3.23Å; D3-F230 WeakPolarHBondContact OD1-CD1 3.35Å; Q76-F230 CarbonylContact C-O 3.55Å; R77-F230 PolarHBondContact N-O 3.47Å; I215-F230 HydrophobicContact CD1-CB 3.9Å; I215-F230 HydrophobicContact CD1-CD1 3.97Å; I215-F230 HydrophobicContact CD1-CG 4.11Å; Q226-F230 HydrophobicContact CB-CE2 4.26Å; A227-F230 PolarHBondContact O-N 2.74Å; F230-W271 HydrophobicContact CD1-CZ3 4.44Å; F230-W271 AromaticContact CD2-CH2 3.59Å; F230-W271 HydrophobicContact CD2-CH2 3.59Å; F230-W271 AromaticContact CD2-CZ3 3.64Å; F230-W271 HydrophobicContact CD2-CZ3 3.64Å; F230-W271 AromaticContact CE2-CH2 3.54Å; F230-W271 HydrophobicContact CE2-CH2 3.54Å; F230-W271 AromaticContact CE2-CZ3 3.76Å; F230-W271 HydrophobicContact CE2-CZ3 3.76Å; F230-W271 HydrophobicContact CG-CH2 4.43Å; F230-W271 HydrophobicContact CG-CZ3 4.03Å; F230-W271 HydrophobicContact CZ-CH2 4.33Å; F230-W271 HydrophobicContact CZ-CZ3 4.23Å; F230-I274 HydrophobicContact CD1-CG2 4.41Å; F230-I274 HydrophobicContact CE1-CG2 3.6Å; F230-I274 HydrophobicContact CZ-CG2 3.66Å |
| 231 | L | 87.2 | Confident | 81.8 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -128.1 | 153 | 177.4 | -61.3 | 172.3 | 0 | 0 | 0 | 109.5 | Q76 I218 V221 L222 A227 M233 L239 F244 | Q76-L231 HydrophobicContact CB-CD2 4Å; I218-L231 HydrophobicContact CG2-CD1 4.11Å; V221-L231 HydrophobicContact CB-CD1 4.15Å; V221-L231 HydrophobicContact CG1-CD1 3.73Å; V221-L231 HydrophobicContact CG1-CG 4.24Å; L222-L231 HydrophobicContact CD2-CD1 3.88Å; L222-L231 HydrophobicContact CG-CD1 4.25Å; A227-L231 PolarHBondContact O-N 2.82Å; L231-M233 HydrophobicContact CB-SD 4.3Å; L231-L239 HydrophobicContact CB-CD1 4.08Å; L231-L239 HydrophobicContact CD1-CD1 4.31Å; L231-L239 HydrophobicContact CD2-CD1 4.41Å; L231-L239 HydrophobicContact CG-CD1 4.5Å; L231-F244 HydrophobicContact CD2-CD2 4.33Å; L231-F244 HydrophobicContact CD2-CE2 4.16Å |
| 232 | D | 86.3 | Confident | 81.9 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | trans | -91.2 | 130.7 | 170.9 | -68.3 | -61.2 | 0 | 0 | 0 | 110.6 | R77 Y78 G79 D240 R243 | R77-D232 WeakPolarHBondContact CG-OD2 3.38Å; R77-D232 IonicContact CZ-OD1 3.06Å; R77-D232 VanDerWaalsContact CZ-OD1 3.23Å; R77-D232 IonicContact NE-OD1 2.68Å; R77-D232 PolarHBondContact NE-OD1 2.85Å; R77-D232 IonicContact NE-OD2 2.96Å; R77-D232 IonicContact NH2-OD1 2.82Å; R77-D232 PolarHBondContact NH2-OD1 2.83Å; Y78-D232 PolarHBondContact N-OD2 2.79Å; G79-D232 PolarHBondContact N-OD2 3.15Å; D232-D240 PolarHBondContact O-N 3.34Å; D232-R243 IonicContact OD1-NH1 2.76Å | ||
| 233 | M | 83.3 | Confident | 82.1 | Confident | 32 Ų | 32 | 70.4 Ų | 70.4 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 139.8 | -165.3 | -58.8 | -70.6 | -79.8 | 0 | 0 | 109.9 | L222 A227 L231 G237 T238 L239 | L222-M233 HydrophobicContact CD2-CE 3.67Å; L222-M233 HydrophobicContact CD2-SD 3.67Å; A227-M233 HydrophobicContact CB-CE 4.22Å; L231-M233 HydrophobicContact CB-SD 4.3Å; M233-G237 WeakPolarHBondContact CE-O 3.49Å; M233-T238 WeakPolarHBondContact CA-O 3.29Å; M233-L239 HydrophobicContact SD-CD1 4.42Å |
| 234 | N | 80 | Confident | 82.4 | Confident | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | trans | -71.3 | 162 | 175.3 | -72.5 | -42.9 | 0 | 0 | 0 | 111.8 | N236 G237 T238 L239 | N234-N236 WeakPolarHBondContact CB-OD1 3.42Å; N234-N236 PolarHBondContact O-N 3.08Å; N234-N236 VanDerWaalsContact O-N 3.07Å; N234-G237 PolarHBondContact O-N 3.04Å; N234-T238 PolarHBondContact N-O 2.66Å; N234-T238 PolarHBondContact ND2-OG1 2.88Å; N234-L239 PolarHBondContact ND2-O 3.2Å | ||
| 235 | H | 71.7 | Confident | 82.6 | Confident | 181 Ų | 181 | 69.3 Ų | 69.3 | 84% | 0.838 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.1 | -179.8 | -60.6 | -54.1 | 0 | 0 | 0 | 114.5 | ||
| 236 | N | 74.6 | Confident | 83 | Confident | 118 Ų | 118 | 61.3 Ų | 61.3 | 63% | 0.631 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.1 | 174.9 | 65.6 | -8.8 | 0 | 0 | 0 | 113.8 | N234 T238 | N234-N236 WeakPolarHBondContact CB-OD1 3.42Å; N234-N236 PolarHBondContact O-N 3.08Å; N234-N236 VanDerWaalsContact O-N 3.07Å; N236-T238 PolarHBondContact OD1-N 2.88Å; N236-T238 VanDerWaalsContact OD1-N 3.12Å; N236-T238 PolarHBondContact OD1-OG1 2.97Å; N236-T238 VanDerWaalsContact OD1-OG1 3.12Å |
| 237 | G | 73.7 | Confident | 83.3 | Confident | 50 Ų | 50 | 59 Ų | 59 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 83.5 | 10.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | M233 N234 | M233-G237 WeakPolarHBondContact CE-O 3.49Å; N234-G237 PolarHBondContact O-N 3.04Å |
| 238 | T | 82.6 | Confident | 83.6 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | trans | -88.8 | 155.6 | 170.9 | 69.1 | 0 | 0 | 0 | 0 | 111.9 | M233 N234 N236 D240 | M233-T238 WeakPolarHBondContact CA-O 3.29Å; N234-T238 PolarHBondContact N-O 2.66Å; N234-T238 PolarHBondContact ND2-OG1 2.88Å; N236-T238 PolarHBondContact OD1-N 2.88Å; N236-T238 VanDerWaalsContact OD1-N 3.12Å; N236-T238 PolarHBondContact OD1-OG1 2.97Å; N236-T238 VanDerWaalsContact OD1-OG1 3.12Å; T238-D240 PolarHBondContact O-N 3.21Å | ||
| 239 | L | 84.6 | Confident | 83.8 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -56.2 | 135.1 | 169.5 | -178 | 62.9 | 0 | 0 | 0 | 110.3 | L222 L231 M233 N234 K241 F244 | L222-L239 HydrophobicContact CD2-CB 4.09Å; L231-L239 HydrophobicContact CB-CD1 4.08Å; L231-L239 HydrophobicContact CD1-CD1 4.31Å; L231-L239 HydrophobicContact CD2-CD1 4.41Å; L231-L239 HydrophobicContact CG-CD1 4.5Å; M233-L239 HydrophobicContact SD-CD1 4.42Å; N234-L239 PolarHBondContact ND2-O 3.2Å; L239-K241 PolarHBondContact O-N 2.86Å; L239-F244 HydrophobicContact CD1-CB 4.39Å; L239-F244 HydrophobicContact CD1-CD2 4.23Å; L239-F244 HydrophobicContact CD1-CG 4.46Å; L239-F244 HydrophobicContact CD2-CB 4.4Å; L239-F244 HydrophobicContact CD2-CD1 4.32Å; L239-F244 HydrophobicContact CD2-CD2 4.27Å; L239-F244 HydrophobicContact CD2-CG 4.06Å; L239-F244 HydrophobicContact CG-CB 4.4Å |
| 240 | D | 86 | Confident | 84 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | trans | -82.9 | 106.5 | 171.4 | -167.9 | -3.6 | 0 | 0 | 0 | 110.7 | D232 T238 T242 R243 F244 | D232-D240 PolarHBondContact O-N 3.34Å; T238-D240 PolarHBondContact O-N 3.21Å; D240-T242 PolarHBondContact OD1-OG1 3.32Å; D240-R243 IonicContact OD2-CZ 2.92Å; D240-R243 IonicContact OD2-NE 2.59Å; D240-R243 PolarHBondContact OD2-NE 3.18Å; D240-R243 IonicContact OD2-NH2 2.69Å; D240-R243 PolarHBondContact OD2-NH2 3.32Å; D240-F244 VanDerWaalsContact O-CB 3.26Å; D240-F244 WeakPolarHBondContact O-CB 3.45Å; D240-F244 PolarHBondContact O-N 3.34Å | ||
| 241 | K | 86 | Confident | 84.1 | Confident | 149 Ų | 149 | 55.7 Ų | 55.7 | 65% | 0.648 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.9 | -39.5 | -171.2 | -70 | -167.8 | 174.3 | -168.4 | 0 | 113.3 | L239 F244 E245 | L239-K241 PolarHBondContact O-N 2.86Å; K241-F244 CarbonylContact O-C 3.6Å; K241-F244 PolarHBondContact O-N 3.01Å; K241-E245 WeakPolarHBondContact O-CB 3.29Å; K241-E245 WeakPolarHBondContact O-CG 3.28Å; K241-E245 PolarHBondContact O-N 2.89Å |
| 242 | T | 84.4 | Confident | 83.9 | Confident | 75 Ų | 75 | 59 Ų | 59 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -46.4 | -176.3 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | D240 F244 E245 Q246 | D240-T242 PolarHBondContact OD1-OG1 3.32Å; T242-F244 VanDerWaalsContact C-N 3.33Å; T242-F244 PolarHBondContact O-N 2.94Å; T242-E245 PolarHBondContact O-N 2.83Å; T242-Q246 WeakPolarHBondContact O-CG 3.27Å; T242-Q246 PolarHBondContact O-N 2.87Å |
| 243 | R | 86.8 | Confident | 83.9 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 12% | 0.121 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -32.6 | 174.3 | -75.3 | -173.2 | -73.1 | 161.6 | -2.5 | 113 | Y78 G79 Y81 D232 D240 I247 | Y78-R243 HydrophobicContact CD1-CB 4.16Å; Y78-R243 HydrophobicContact CD1-CG 3.75Å; Y78-R243 HydrophobicContact CE1-CG 4.35Å; Y78-R243 HydrophobicContact CG-CB 4.25Å; Y78-R243 HydrophobicContact CG-CG 4.34Å; G79-R243 VanDerWaalsContact O-CD 3.29Å; G79-R243 WeakPolarHBondContact O-CD 3.1Å; G79-R243 PolarHBondContact O-NH1 3.31Å; Y81-R243 HydrophobicContact CE1-CG 3.96Å; Y81-R243 HydrophobicContact CE2-CG 4.46Å; Y81-R243 VanDerWaalsContact OH-CG 3.29Å; Y81-R243 WeakPolarHBondContact OH-CG 3.33Å; D232-R243 IonicContact OD1-NH1 2.76Å; D240-R243 IonicContact OD2-CZ 2.92Å; D240-R243 IonicContact OD2-NE 2.59Å; D240-R243 PolarHBondContact OD2-NE 3.18Å; D240-R243 IonicContact OD2-NH2 2.69Å; D240-R243 PolarHBondContact OD2-NH2 3.32Å; R243-I247 WeakPolarHBondContact O-CG2 3.49Å; R243-I247 PolarHBondContact O-N 3.27Å |
| 244 | F | 88.1 | Confident | 84 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 20% | 0.197 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.8 | -34.2 | 172.9 | -172.8 | -99.6 | 0 | 0 | 0 | 112.6 | Q76 I218 L231 L239 D240 K241 T242 I247 N248 | Q76-F244 HydrophobicContact CB-CE2 4.44Å; I218-F244 HydrophobicContact CD1-CE2 4.2Å; I218-F244 HydrophobicContact CD1-CZ 3.7Å; L231-F244 HydrophobicContact CD2-CD2 4.33Å; L231-F244 HydrophobicContact CD2-CE2 4.16Å; L239-F244 HydrophobicContact CD1-CB 4.39Å; L239-F244 HydrophobicContact CD1-CD2 4.23Å; L239-F244 HydrophobicContact CD1-CG 4.46Å; L239-F244 HydrophobicContact CD2-CB 4.4Å; L239-F244 HydrophobicContact CD2-CD1 4.32Å; L239-F244 HydrophobicContact CD2-CD2 4.27Å; L239-F244 HydrophobicContact CD2-CG 4.06Å; L239-F244 HydrophobicContact CG-CB 4.4Å; D240-F244 VanDerWaalsContact O-CB 3.26Å; D240-F244 WeakPolarHBondContact O-CB 3.45Å; D240-F244 PolarHBondContact O-N 3.34Å; K241-F244 CarbonylContact O-C 3.6Å; K241-F244 PolarHBondContact O-N 3.01Å; T242-F244 VanDerWaalsContact C-N 3.33Å; T242-F244 PolarHBondContact O-N 2.94Å; F244-I247 WeakPolarHBondContact O-CG2 3.44Å; F244-N248 VanDerWaalsContact CE1-ND2 3.31Å; F244-N248 WeakPolarHBondContact CE1-ND2 3.32Å; F244-N248 WeakPolarHBondContact CZ-ND2 3.26Å; F244-N248 PolarHBondContact O-N 2.9Å; F244-N248 PolarHBondContact O-ND2 2.77Å |
| 245 | E | 87.5 | Confident | 84.2 | Confident | 110 Ų | 110 | 61.4 Ų | 61.4 | 51% | 0.514 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.9 | -50.5 | 171.1 | -74 | 158.9 | -166 | 0 | 0 | 110 | K241 T242 I247 N248 D249 | K241-E245 WeakPolarHBondContact O-CB 3.29Å; K241-E245 WeakPolarHBondContact O-CG 3.28Å; K241-E245 PolarHBondContact O-N 2.89Å; T242-E245 PolarHBondContact O-N 2.83Å; E245-I247 PolarHBondContact O-N 2.89Å; E245-N248 WeakPolarHBondContact O-CA 3.33Å; E245-N248 WeakPolarHBondContact O-CB 3.33Å; E245-N248 PolarHBondContact O-N 3.41Å; E245-D249 PolarHBondContact O-N 2.78Å |
| 246 | Q | 87.7 | Confident | 84.8 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -53.8 | -46 | 177.3 | -71.8 | 177.5 | -76.8 | 0 | 0 | 113.7 | Y78 Y81 S185 T242 N248 D249 L250 | Y78-Q246 HydrophobicContact CD2-CB 3.88Å; Y78-Q246 HydrophobicContact CE2-CB 3.7Å; Y81-Q246 PolarHBondContact OH-OE1 2.78Å; S185-Q246 PolarHBondContact O-NE2 3.2Å; T242-Q246 WeakPolarHBondContact O-CG 3.27Å; T242-Q246 PolarHBondContact O-N 2.87Å; Q246-N248 VanDerWaalsContact C-N 3.32Å; Q246-N248 PolarHBondContact O-N 2.84Å; Q246-D249 PolarHBondContact O-N 3Å; Q246-L250 VanDerWaalsContact O-CB 3.28Å; Q246-L250 WeakPolarHBondContact O-CB 3.42Å; Q246-L250 PolarHBondContact O-N 2.74Å |
| 247 | I | 89 | Confident | 85.2 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.9 | -31.9 | 177.4 | -170.3 | 57.3 | 0 | 0 | 0 | 112.3 | L74 Y78 R243 F244 E245 L250 R251 | L74-I247 HydrophobicContact CD2-CD1 4.45Å; Y78-I247 HydrophobicContact CD2-CB 4.05Å; R243-I247 WeakPolarHBondContact O-CG2 3.49Å; R243-I247 PolarHBondContact O-N 3.27Å; F244-I247 WeakPolarHBondContact O-CG2 3.44Å; E245-I247 PolarHBondContact O-N 2.89Å; I247-L250 HydrophobicContact CD1-CD2 4.45Å; I247-R251 WeakPolarHBondContact O-CB 3.48Å; I247-R251 PolarHBondContact O-N 3.46Å; I247-R251 VanDerWaalsContact O-N 3.08Å |
| 248 | N | 86.5 | Confident | 85.7 | Confident | 31 Ų | 31 | 54 Ų | 54 | 17% | 0.166 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.1 | -40.7 | 175 | -83.1 | -63.5 | 0 | 0 | 0 | 111.4 | F244 E245 Q246 N252 | F244-N248 VanDerWaalsContact CE1-ND2 3.31Å; F244-N248 WeakPolarHBondContact CE1-ND2 3.32Å; F244-N248 WeakPolarHBondContact CZ-ND2 3.26Å; F244-N248 PolarHBondContact O-N 2.9Å; F244-N248 PolarHBondContact O-ND2 2.77Å; E245-N248 WeakPolarHBondContact O-CA 3.33Å; E245-N248 WeakPolarHBondContact O-CB 3.33Å; E245-N248 PolarHBondContact O-N 3.41Å; Q246-N248 VanDerWaalsContact C-N 3.32Å; Q246-N248 PolarHBondContact O-N 2.84Å; N248-N252 WeakPolarHBondContact O-CA 3.25Å; N248-N252 WeakPolarHBondContact O-CB 3.43Å; N248-N252 PolarHBondContact O-N 3.07Å; N248-N252 PolarHBondContact O-ND2 2.85Å; N248-N252 PolarHBondContact OD1-ND2 3.37Å |
| 249 | D | 86.6 | Confident | 85.8 | Confident | 83 Ų | 83 | 50.9 Ų | 50.9 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.2 | -50.3 | 177 | -69 | -17.4 | 0 | 0 | 0 | 111 | E245 Q246 R251 I253 T254 | E245-D249 PolarHBondContact O-N 2.78Å; Q246-D249 PolarHBondContact O-N 3Å; D249-R251 VanDerWaalsContact C-N 3.29Å; D249-R251 PolarHBondContact O-N 2.84Å; D249-I253 HydrophobicContact CB-CD1 4.33Å; D249-I253 CarbonylContact O-C 3.56Å; D249-I253 WeakPolarHBondContact O-CA 3.46Å; D249-I253 VanDerWaalsContact O-CB 3.27Å; D249-I253 WeakPolarHBondContact O-CB 3.46Å; D249-I253 PolarHBondContact O-N 2.81Å; D249-I253 WeakPolarHBondContact OD1-CD1 3.16Å; D249-T254 PolarHBondContact O-N 3.21Å; D249-T254 PolarHBondContact O-OG1 2.79Å |
| 250 | L | 86.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -54 | -45.7 | 176.3 | -180 | 61.6 | 0 | 0 | 0 | 112.1 | E190 I193 Q246 I247 T254 L255 | E190-L250 HydrophobicContact CB-CD2 3.86Å; E190-L250 HydrophobicContact CG-CD1 3.91Å; E190-L250 HydrophobicContact CG-CD2 3.72Å; E190-L250 HydrophobicContact CG-CG 4.44Å; I193-L250 HydrophobicContact CD1-CD2 4.17Å; I193-L250 HydrophobicContact CG2-CD1 4.13Å; Q246-L250 VanDerWaalsContact O-CB 3.28Å; Q246-L250 WeakPolarHBondContact O-CB 3.42Å; Q246-L250 PolarHBondContact O-N 2.74Å; I247-L250 HydrophobicContact CD1-CD2 4.45Å; L250-T254 HydrophobicContact CD1-CG2 4.35Å; L250-T254 WeakPolarHBondContact O-CB 3.35Å; L250-L255 WeakPolarHBondContact O-CG 3.3Å; L250-L255 PolarHBondContact O-N 3.07Å |
| 251 | R | 86.7 | Confident | 85.5 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 6% | 0.06 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -82.9 | -38.3 | -172.2 | -169.9 | -168.1 | 76.4 | 154.9 | 12.6 | 113.8 | L74 G75 T212 R213 T214 I247 D249 | L74-R251 HydrophobicContact CB-CG 4.19Å; L74-R251 HydrophobicContact CD1-CB 4.18Å; L74-R251 HydrophobicContact CD1-CG 4.04Å; G75-R251 WeakPolarHBondContact O-CD 3.5Å; G75-R251 PolarHBondContact O-NH1 3.39Å; T212-R251 HydrophobicContact CG2-CG 3.67Å; R213-R251 PolarHBondContact O-NH1 3.23Å; R213-R251 VanDerWaalsContact O-NH1 3.1Å; T214-R251 VanDerWaalsContact OG1-CZ 3.31Å; T214-R251 PolarHBondContact OG1-NH1 2.74Å; T214-R251 PolarHBondContact OG1-NH2 3.4Å; I247-R251 WeakPolarHBondContact O-CB 3.48Å; I247-R251 PolarHBondContact O-N 3.46Å; I247-R251 VanDerWaalsContact O-N 3.08Å; D249-R251 VanDerWaalsContact C-N 3.29Å; D249-R251 PolarHBondContact O-N 2.84Å |
| 252 | N | 84 | Confident | 85.4 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -101.2 | -24.5 | -172.3 | -47.1 | -36.9 | 0 | 0 | 0 | 112.7 | N248 A256 | N248-N252 WeakPolarHBondContact O-CA 3.25Å; N248-N252 WeakPolarHBondContact O-CB 3.43Å; N248-N252 PolarHBondContact O-N 3.07Å; N248-N252 PolarHBondContact O-ND2 2.85Å; N248-N252 PolarHBondContact OD1-ND2 3.37Å; N252-A256 WeakPolarHBondContact O-CB 3.29Å |
| 253 | I | 84.8 | Confident | 85.6 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 52% | 0.518 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -111.2 | -60.8 | -177.9 | -50.2 | 178.7 | 0 | 0 | 0 | 110.3 | D249 A256 A257 | D249-I253 HydrophobicContact CB-CD1 4.33Å; D249-I253 CarbonylContact O-C 3.56Å; D249-I253 WeakPolarHBondContact O-CA 3.46Å; D249-I253 VanDerWaalsContact O-CB 3.27Å; D249-I253 WeakPolarHBondContact O-CB 3.46Å; D249-I253 PolarHBondContact O-N 2.81Å; D249-I253 WeakPolarHBondContact OD1-CD1 3.16Å; I253-A256 PolarHBondContact O-N 3.4Å; I253-A257 WeakPolarHBondContact O-CB 3.47Å; I253-A257 PolarHBondContact O-N 2.89Å |
| 254 | T | 85.3 | Confident | 85.7 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 28% | 0.276 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -64.7 | -47.5 | -171.5 | -49.4 | 0 | 0 | 0 | 0 | 112.3 | L198 D249 L250 A256 A257 V258 | L198-T254 HydrophobicContact CD1-CG2 3.8Å; L198-T254 HydrophobicContact CD2-CG2 3.95Å; D249-T254 PolarHBondContact O-N 3.21Å; D249-T254 PolarHBondContact O-OG1 2.79Å; L250-T254 HydrophobicContact CD1-CG2 4.35Å; L250-T254 WeakPolarHBondContact O-CB 3.35Å; T254-A256 VanDerWaalsContact C-N 3.32Å; T254-A256 PolarHBondContact O-N 3.12Å; T254-A257 PolarHBondContact O-N 2.89Å; T254-V258 PolarHBondContact O-N 3.49Å |
| 255 | L | 85.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -35.3 | 174.2 | -75.7 | 178.2 | 0 | 0 | 0 | 112.9 | T72 L74 I193 I197 A210 L250 A257 V258 L259 | T72-L255 HydrophobicContact CG2-CD1 4.03Å; T72-L255 HydrophobicContact CG2-CD2 4.42Å; L74-L255 HydrophobicContact CD1-CD1 3.69Å; I193-L255 HydrophobicContact CG2-CD2 4.16Å; I197-L255 HydrophobicContact CD1-CD2 3.68Å; I197-L255 HydrophobicContact CG2-CD2 4.36Å; A210-L255 HydrophobicContact CB-CD1 4.03Å; L250-L255 WeakPolarHBondContact O-CG 3.3Å; L250-L255 PolarHBondContact O-N 3.07Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-V258 PolarHBondContact O-N 3.34Å; L255-L259 HydrophobicContact CD2-CD1 4.24Å; L255-L259 WeakPolarHBondContact O-CB 3.35Å; L255-L259 PolarHBondContact O-N 3.36Å |
| 256 | A | 83.4 | Confident | 85.9 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -73.1 | -24.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | N252 I253 T254 I264 | N252-A256 WeakPolarHBondContact O-CB 3.29Å; I253-A256 PolarHBondContact O-N 3.4Å; T254-A256 VanDerWaalsContact C-N 3.32Å; T254-A256 PolarHBondContact O-N 3.12Å; A256-I264 HydrophobicContact CB-CD1 4.39Å |
| 257 | A | 83.5 | Confident | 86.1 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 70% | 0.702 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.9 | -25.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I253 T254 L255 | I253-A257 WeakPolarHBondContact O-CB 3.47Å; I253-A257 PolarHBondContact O-N 2.89Å; T254-A257 PolarHBondContact O-N 2.89Å; L255-A257 VanDerWaalsContact C-N 3.34Å |
| 258 | V | 83.5 | Confident | 86.1 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -108.1 | -41.2 | -173.7 | 178.8 | 0 | 0 | 0 | 0 | 113.1 | I197 L198 K205 T254 L255 | I197-V258 HydrophobicContact CG2-CG1 4.06Å; L198-V258 HydrophobicContact CD2-CB 4.26Å; L198-V258 HydrophobicContact CD2-CG1 4.42Å; L198-V258 HydrophobicContact CD2-CG2 3.85Å; K205-V258 HydrophobicContact CD-CG1 3.95Å; K205-V258 HydrophobicContact CG-CG1 4.12Å; T254-V258 PolarHBondContact O-N 3.49Å; L255-V258 PolarHBondContact O-N 3.34Å |
| 259 | L | 85.8 | Confident | 86.3 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -91.2 | 135.5 | 177.1 | -64.6 | 179.6 | 0 | 0 | 0 | 110.8 | I197 C208 A210 L255 I264 | I197-L259 HydrophobicContact CD1-CD1 4.4Å; I197-L259 HydrophobicContact CG2-CD2 3.99Å; I197-L259 HydrophobicContact CG2-CG 4.11Å; C208-L259 HydrophobicContact CB-CD2 4.06Å; A210-L259 HydrophobicContact CB-CD1 3.67Å; L255-L259 HydrophobicContact CD2-CD1 4.24Å; L255-L259 WeakPolarHBondContact O-CB 3.35Å; L255-L259 PolarHBondContact O-N 3.36Å; L259-I264 HydrophobicContact CB-CD1 4.08Å; L259-I264 HydrophobicContact CB-CG1 3.94Å; L259-I264 HydrophobicContact CD1-CG1 4.48Å |
| 260 | K | 83 | Confident | 86.3 | Confident | 153 Ų | 153 | 63 Ų | 63 | 67% | 0.665 | 33% | 0.334 | S | S | * | . | trans | -61.4 | 143.9 | 172.1 | -62.2 | -174.1 | -179.8 | -175.7 | 0 | 109.9 | N262 N263 | K260-N262 PolarHBondContact O-N 2.76Å; K260-N263 WeakPolarHBondContact O-CA 3.41Å; K260-N263 WeakPolarHBondContact O-CB 3.41Å; K260-N263 PolarHBondContact O-N 3.27Å | ||
| 261 | E | 80.2 | Confident | 86.2 | Confident | 169 Ų | 169 | 63.1 Ų | 63.1 | 79% | 0.79 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -50 | -39.3 | -176.3 | -165.8 | 173.6 | -158.4 | 0 | 0 | 113.4 | N263 I264 | E261-N263 PolarHBondContact O-N 2.91Å; E261-N263 VanDerWaalsContact O-N 3.11Å; E261-I264 PolarHBondContact O-N 2.86Å |
| 262 | N | 84.7 | Confident | 86 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 68% | 0.684 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -65.9 | -8.1 | 175.2 | -72.1 | -16.1 | 0 | 0 | 0 | 115.5 | K260 K295 | K260-N262 PolarHBondContact O-N 2.76Å; N262-K295 WeakPolarHBondContact O-CE 3.27Å; N262-K295 PolarHBondContact O-NZ 3.19Å |
| 263 | N | 87.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -102.5 | -2.2 | 174.2 | -71.4 | 23.3 | 0 | 0 | 0 | 112.6 | C208 A209 A210 K260 E261 K295 | C208-N263 PolarHBondContact O-ND2 2.87Å; A209-N263 WeakPolarHBondContact CA-O 3.3Å; A210-N263 PolarHBondContact N-O 2.92Å; K260-N263 WeakPolarHBondContact O-CA 3.41Å; K260-N263 WeakPolarHBondContact O-CB 3.41Å; K260-N263 PolarHBondContact O-N 3.27Å; E261-N263 PolarHBondContact O-N 2.91Å; E261-N263 VanDerWaalsContact O-N 3.11Å; N263-K295 PolarHBondContact OD1-NZ 2.98Å |
| 264 | I | 89.2 | Confident | 85.9 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.4 | 179.1 | -51.1 | -179 | 0 | 0 | 0 | 109.7 | A210 A256 L259 E261 N266 | A210-I264 CarbonylContact O-C 3.56Å; A210-I264 WeakPolarHBondContact O-CA 3.35Å; A256-I264 HydrophobicContact CB-CD1 4.39Å; L259-I264 HydrophobicContact CB-CD1 4.08Å; L259-I264 HydrophobicContact CB-CG1 3.94Å; L259-I264 HydrophobicContact CD1-CG1 4.48Å; E261-I264 PolarHBondContact O-N 2.86Å; I264-N266 WeakPolarHBondContact CG2-OD1 3.46Å |
| 265 | R | 90.6 | Very high | 85.6 | Confident | 94 Ų | 94 | 59 Ų | 59 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 109.4 | 176.5 | -69.7 | -58 | -153.5 | -156.8 | 8.7 | 110.9 | A210 F211 T212 Y267 D291 | A210-R265 PolarHBondContact O-N 2.79Å; F211-R265 CarbonylContact C-O 3.58Å; F211-R265 WeakPolarHBondContact CA-O 3.38Å; F211-R265 HydrophobicContact CD1-CB 3.71Å; F211-R265 HydrophobicContact CD1-CG 4.15Å; F211-R265 HydrophobicContact CE1-CB 4.01Å; F211-R265 HydrophobicContact CE1-CG 3.9Å; F211-R265 HydrophobicContact CG-CB 4.38Å; T212-R265 PolarHBondContact N-O 3.21Å; R265-Y267 HydrophobicContact CB-CE2 3.84Å; R265-Y267 WeakPolarHBondContact O-CE2 3.27Å; R265-D291 IonicContact NH2-OD1 2.78Å |
| 266 | N | 90 | Very high | 85.2 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 57% | 0.572 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.9 | -178.4 | -61.6 | -16.1 | 0 | 0 | 0 | 111.1 | T212 I264 | T212-N266 VanDerWaalsContact OG1-CG 3.28Å; T212-N266 PolarHBondContact OG1-OD1 3.02Å; I264-N266 WeakPolarHBondContact CG2-OD1 3.46Å |
| 267 | Y | 91.5 | Very high | 84.8 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.1 | 179 | -51.1 | -92.9 | 0 | 0 | 0 | 109.9 | F211 T212 R213 T214 R265 Y284 K287 F288 D291 | F211-Y267 HydrophobicContact CB-CE2 4.49Å; F211-Y267 HydrophobicContact CD1-CE2 4.09Å; T212-Y267 WeakPolarHBondContact O-CD2 3.37Å; T212-Y267 PolarHBondContact O-N 3.47Å; R213-Y267 CarbonylContact C-O 3.55Å; R213-Y267 WeakPolarHBondContact CA-O 3.46Å; T214-Y267 PolarHBondContact N-O 3.06Å; R265-Y267 HydrophobicContact CB-CE2 3.84Å; R265-Y267 WeakPolarHBondContact O-CE2 3.27Å; Y267-Y284 HydrophobicContact CD1-CD2 4.1Å; Y267-Y284 AromaticContact CD1-CE2 3.79Å; Y267-Y284 HydrophobicContact CD1-CE2 3.79Å; Y267-Y284 HydrophobicContact CD2-CE2 4.22Å; Y267-Y284 HydrophobicContact CE1-CE2 4.49Å; Y267-Y284 HydrophobicContact CG-CD2 4.3Å; Y267-Y284 AromaticContact CG-CE2 3.64Å; Y267-Y284 HydrophobicContact CG-CE2 3.64Å; Y267-K287 HydrophobicContact CE1-CD 4.4Å; Y267-K287 HydrophobicContact CE1-CG 4.45Å; Y267-F288 HydrophobicContact CD2-CD2 4.49Å; Y267-F288 HydrophobicContact CE1-CB 4.29Å; Y267-F288 AromaticContact CE2-CD2 3.82Å; Y267-F288 HydrophobicContact CE2-CD2 3.82Å; Y267-F288 AromaticContact CZ-CD2 3.97Å; Y267-D291 VanDerWaalsContact OH-CB 3.23Å; Y267-D291 WeakPolarHBondContact OH-CB 3.23Å |
| 268 | E | 89.6 | Confident | 84.8 | Confident | 134 Ų | 134 | 65.2 Ų | 65.2 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.7 | 171.5 | -45.4 | -176.3 | 142.5 | 0 | 0 | 110.1 | T214 K216 | T214-E268 CarbonylContact O-C 3.35Å; T214-E268 WeakPolarHBondContact O-CA 3.46Å; K216-E268 WeakPolarHBondContact CE-OE2 3.49Å; K216-E268 IonicContact NZ-OE2 2.73Å; K216-E268 PolarHBondContact NZ-OE2 3.03Å |
| 269 | I | 89.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 134.9 | -172.7 | -44 | -177.2 | 0 | 0 | 0 | 109.8 | R213 T214 I215 K216 A273 I274 Y284 | R213-I269 VanDerWaalsContact CD-CD1 3.42Å; R213-I269 HydrophobicContact CG-CD1 3.86Å; R213-I269 HydrophobicContact CG-CG1 4.28Å; T214-I269 PolarHBondContact O-N 3.42Å; I215-I269 CarbonylContact C-O 3.52Å; I215-I269 WeakPolarHBondContact CA-O 3.39Å; K216-I269 PolarHBondContact N-O 2.96Å; I269-A273 HydrophobicContact CG2-CB 4.01Å; I269-I274 HydrophobicContact CG2-CG1 4.13Å; I269-Y284 HydrophobicContact CD1-CD1 3.35Å; I269-Y284 HydrophobicContact CD1-CD2 3.57Å; I269-Y284 HydrophobicContact CD1-CE1 3.4Å; I269-Y284 HydrophobicContact CD1-CE2 3.65Å; I269-Y284 HydrophobicContact CD1-CG 3.43Å; I269-Y284 VanDerWaalsContact CD1-CG 3.43Å; I269-Y284 HydrophobicContact CG1-CD2 4.24Å; I269-Y284 HydrophobicContact CG1-CG 4.3Å |
| 270 | P | 86.6 | Confident | 84.6 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | trans | -68.2 | 149 | 172.4 | 29.6 | -34.8 | 0 | 0 | 0 | 112 | E217 S272 A273 | E217-P270 WeakPolarHBondContact OE2-CA 3.41Å; E217-P270 VanDerWaalsContact OE2-CB 3.28Å; E217-P270 WeakPolarHBondContact OE2-CB 3.29Å; P270-S272 VanDerWaalsContact C-N 3.26Å; P270-S272 PolarHBondContact O-N 2.87Å; P270-A273 HydrophobicContact CG-CB 4.07Å; P270-A273 PolarHBondContact O-N 3.31Å | ||
| 271 | W | 85.8 | Confident | 84.8 | Confident | 5 Ų | 5 | 69 Ų | 69 | 2% | 0.019 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -38.2 | -177.8 | 171.4 | -113.9 | 0 | 0 | 0 | 112.7 | I215 E217 V221 Q226 F230 A273 I274 E275 | I215-W271 HydrophobicContact CD1-CE3 4.2Å; I215-W271 HydrophobicContact CD1-CZ3 4.2Å; I215-W271 HydrophobicContact CG2-CB 3.99Å; I215-W271 HydrophobicContact CG2-CE3 3.9Å; E217-W271 PolarHBondContact OE2-N 3.19Å; E217-W271 VanDerWaalsContact OE2-N 3.09Å; V221-W271 HydrophobicContact CB-CD2 4.34Å; V221-W271 HydrophobicContact CB-CE3 4.39Å; V221-W271 HydrophobicContact CG1-CD2 4.43Å; V221-W271 HydrophobicContact CG1-CE3 4.1Å; V221-W271 HydrophobicContact CG1-CH2 4.24Å; V221-W271 HydrophobicContact CG1-CZ3 3.99Å; V221-W271 HydrophobicContact CG2-CB 3.99Å; V221-W271 HydrophobicContact CG2-CD2 3.76Å; V221-W271 HydrophobicContact CG2-CE3 3.73Å; V221-W271 HydrophobicContact CG2-CG 3.88Å; V221-W271 HydrophobicContact CG2-CZ3 4.45Å; Q226-W271 HydrophobicContact CB-CH2 4.11Å; Q226-W271 HydrophobicContact CB-CZ2 4.26Å; F230-W271 HydrophobicContact CD1-CZ3 4.44Å; F230-W271 AromaticContact CD2-CH2 3.59Å; F230-W271 HydrophobicContact CD2-CH2 3.59Å; F230-W271 AromaticContact CD2-CZ3 3.64Å; F230-W271 HydrophobicContact CD2-CZ3 3.64Å; F230-W271 AromaticContact CE2-CH2 3.54Å; F230-W271 HydrophobicContact CE2-CH2 3.54Å; F230-W271 AromaticContact CE2-CZ3 3.76Å; F230-W271 HydrophobicContact CE2-CZ3 3.76Å; F230-W271 HydrophobicContact CG-CH2 4.43Å; F230-W271 HydrophobicContact CG-CZ3 4.03Å; F230-W271 HydrophobicContact CZ-CH2 4.33Å; F230-W271 HydrophobicContact CZ-CZ3 4.23Å; W271-A273 PolarHBondContact O-N 3.17Å; W271-A273 VanDerWaalsContact O-N 3.16Å; W271-I274 HydrophobicContact CE3-CB 4.11Å; W271-I274 HydrophobicContact CE3-CG2 4.29Å; W271-I274 HydrophobicContact CZ3-CB 4.27Å; W271-I274 HydrophobicContact CZ3-CG2 3.94Å; W271-I274 PolarHBondContact O-N 3.19Å; W271-E275 HydrophobicContact CD2-CB 4.45Å; W271-E275 HydrophobicContact CZ2-CB 3.94Å; W271-E275 HydrophobicContact CZ2-CG 4.3Å; W271-E275 WeakPolarHBondContact CZ2-OE1 3.35Å; W271-E275 PolarHBondContact NE1-OE2 3.06Å; W271-E275 PolarHBondContact O-N 3.13Å |
| 272 | S | 81.8 | Confident | 85.2 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.2 | -35.9 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | P270 N276 | P270-S272 VanDerWaalsContact C-N 3.26Å; P270-S272 PolarHBondContact O-N 2.87Å; S272-N276 PolarHBondContact O-N 2.98Å; S272-N276 PolarHBondContact O-ND2 2.83Å |
| 273 | A | 82.6 | Confident | 85.3 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -82.3 | -9.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I269 P270 W271 E280 R281 | I269-A273 HydrophobicContact CG2-CB 4.01Å; P270-A273 HydrophobicContact CG-CB 4.07Å; P270-A273 PolarHBondContact O-N 3.31Å; W271-A273 PolarHBondContact O-N 3.17Å; W271-A273 VanDerWaalsContact O-N 3.16Å; A273-E280 HydrophobicContact CB-CB 3.91Å; A273-R281 WeakPolarHBondContact O-CB 3.49Å; A273-R281 WeakPolarHBondContact O-CD 3.39Å; A273-R281 WeakPolarHBondContact O-CG 3.34Å |
| 274 | I | 83.3 | Confident | 85.5 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -92.1 | -46.8 | 170.6 | -62.6 | -175.6 | 0 | 0 | 0 | 109.7 | I215 F230 I269 W271 N276 R281 | I215-I274 HydrophobicContact CB-CD1 4.33Å; I215-I274 HydrophobicContact CD1-CD1 3.82Å; I215-I274 HydrophobicContact CG1-CD1 3.62Å; I215-I274 HydrophobicContact CG2-CD1 3.95Å; F230-I274 HydrophobicContact CD1-CG2 4.41Å; F230-I274 HydrophobicContact CE1-CG2 3.6Å; F230-I274 HydrophobicContact CZ-CG2 3.66Å; I269-I274 HydrophobicContact CG2-CG1 4.13Å; W271-I274 HydrophobicContact CE3-CB 4.11Å; W271-I274 HydrophobicContact CE3-CG2 4.29Å; W271-I274 HydrophobicContact CZ3-CB 4.27Å; W271-I274 HydrophobicContact CZ3-CG2 3.94Å; W271-I274 PolarHBondContact O-N 3.19Å; I274-N276 PolarHBondContact O-N 3.05Å; I274-R281 PolarHBondContact O-NH1 2.99Å |
| 275 | E | 79.4 | Confident | 85.6 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 33% | 0.327 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -32.8 | -177.2 | -176.8 | 145.6 | -113.7 | 0 | 0 | 113.3 | S224 Q226 W271 | S224-E275 PolarHBondContact OG-OE1 3.1Å; Q226-E275 PolarHBondContact NE2-OE1 2.6Å; W271-E275 HydrophobicContact CD2-CB 4.45Å; W271-E275 HydrophobicContact CZ2-CB 3.94Å; W271-E275 HydrophobicContact CZ2-CG 4.3Å; W271-E275 WeakPolarHBondContact CZ2-OE1 3.35Å; W271-E275 PolarHBondContact NE1-OE2 3.06Å; W271-E275 PolarHBondContact O-N 3.13Å |
| 276 | N | 78.1 | Confident | 85.6 | Confident | 98 Ų | 98 | 66.2 Ų | 66.2 | 52% | 0.524 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -116.1 | 142.9 | -177.7 | -57 | -82.5 | 0 | 0 | 0 | 112.6 | S272 I274 G278 | S272-N276 PolarHBondContact O-N 2.98Å; S272-N276 PolarHBondContact O-ND2 2.83Å; I274-N276 PolarHBondContact O-N 3.05Å; N276-G278 PolarHBondContact O-N 3.23Å |
| 277 | D | 75 | Confident | 85.7 | Confident | 134 Ų | 134 | 66.9 Ų | 66.9 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | trans | -73.3 | 113.6 | 171.9 | -79 | 35.9 | 0 | 0 | 0 | 109.7 | R281 | D277-R281 IonicContact OD1-CZ 3.52Å; D277-R281 IonicContact OD1-NH1 3.4Å; D277-R281 PolarHBondContact OD1-NH1 3.15Å; D277-R281 IonicContact OD1-NH2 2.71Å; D277-R281 PolarHBondContact OD1-NH2 2.9Å; D277-R281 IonicContact OD2-NH2 2.86Å; D277-R281 PolarHBondContact OD2-NH2 2.67Å | ||
| 278 | G | 82.5 | Confident | 85.8 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 42% | 0.423 | 34% | 0.344 | S | S | . | . | trans | -160.5 | 177.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | N276 E280 R281 A282 | N276-G278 PolarHBondContact O-N 3.23Å; G278-E280 PolarHBondContact O-N 3.33Å; G278-R281 PolarHBondContact O-N 2.69Å; G278-A282 PolarHBondContact O-N 3.26Å; G278-A282 VanDerWaalsContact O-N 3.12Å | ||
| 279 | L | 82.9 | Confident | 85.9 | Confident | 133 Ų | 133 | 60 Ų | 60 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | -173.1 | -178.6 | 63.2 | 0 | 0 | 0 | 113 | R281 A282 L283 | L279-R281 VanDerWaalsContact C-N 3.33Å; L279-R281 PolarHBondContact O-N 3.3Å; L279-A282 PolarHBondContact O-N 2.92Å; L279-L283 HydrophobicContact CD1-CD1 4.34Å; L279-L283 HydrophobicContact CD1-CG 4.28Å; L279-L283 HydrophobicContact CG-CD1 3.98Å; L279-L283 HydrophobicContact CG-CG 4.36Å; L279-L283 WeakPolarHBondContact O-CG 3.3Å; L279-L283 PolarHBondContact O-N 2.89Å |
| 280 | E | 83.8 | Confident | 86.1 | Confident | 117 Ų | 117 | 64.3 Ų | 64.3 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 179.4 | -64.6 | -170 | 155.5 | 0 | 0 | 111.9 | A273 G278 A282 L283 Y284 | A273-E280 HydrophobicContact CB-CB 3.91Å; G278-E280 PolarHBondContact O-N 3.33Å; E280-A282 VanDerWaalsContact C-N 3.35Å; E280-A282 PolarHBondContact O-N 2.84Å; E280-L283 PolarHBondContact O-N 3.31Å; E280-Y284 WeakPolarHBondContact O-CB 3.48Å; E280-Y284 PolarHBondContact O-N 2.76Å |
| 281 | R | 87.3 | Confident | 86.4 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 14% | 0.143 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.5 | -155.6 | 170.3 | 103.2 | -161.8 | -11.2 | 111.9 | A273 I274 D277 G278 L279 L285 | A273-R281 WeakPolarHBondContact O-CB 3.49Å; A273-R281 WeakPolarHBondContact O-CD 3.39Å; A273-R281 WeakPolarHBondContact O-CG 3.34Å; I274-R281 PolarHBondContact O-NH1 2.99Å; D277-R281 IonicContact OD1-CZ 3.52Å; D277-R281 IonicContact OD1-NH1 3.4Å; D277-R281 PolarHBondContact OD1-NH1 3.15Å; D277-R281 IonicContact OD1-NH2 2.71Å; D277-R281 PolarHBondContact OD1-NH2 2.9Å; D277-R281 IonicContact OD2-NH2 2.86Å; D277-R281 PolarHBondContact OD2-NH2 2.67Å; G278-R281 PolarHBondContact O-N 2.69Å; L279-R281 VanDerWaalsContact C-N 3.33Å; L279-R281 PolarHBondContact O-N 3.3Å; R281-L285 HydrophobicContact CG-CD1 4.02Å; R281-L285 HydrophobicContact CG-CG 4.46Å; R281-L285 VanDerWaalsContact O-CB 3.3Å; R281-L285 WeakPolarHBondContact O-CB 3.42Å; R281-L285 VanDerWaalsContact O-CG 3.27Å; R281-L285 WeakPolarHBondContact O-CG 3.39Å; R281-L285 PolarHBondContact O-N 2.96Å |
| 282 | A | 86.9 | Confident | 86.8 | Confident | 58 Ų | 58 | 64.1 Ų | 64.1 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | G278 L279 E280 R286 | G278-A282 PolarHBondContact O-N 3.26Å; G278-A282 VanDerWaalsContact O-N 3.12Å; L279-A282 PolarHBondContact O-N 2.92Å; E280-A282 VanDerWaalsContact C-N 3.35Å; E280-A282 PolarHBondContact O-N 2.84Å; A282-R286 WeakPolarHBondContact O-CB 3.47Å; A282-R286 PolarHBondContact O-N 2.91Å |
| 283 | L | 88.1 | Confident | 87.3 | Confident | 104 Ų | 104 | 63.3 Ų | 63.3 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 175 | -71.4 | 172.1 | 0 | 0 | 0 | 111.8 | L279 E280 K287 | L279-L283 HydrophobicContact CD1-CD1 4.34Å; L279-L283 HydrophobicContact CD1-CG 4.28Å; L279-L283 HydrophobicContact CG-CD1 3.98Å; L279-L283 HydrophobicContact CG-CG 4.36Å; L279-L283 WeakPolarHBondContact O-CG 3.3Å; L279-L283 PolarHBondContact O-N 2.89Å; E280-L283 PolarHBondContact O-N 3.31Å; L283-K287 WeakPolarHBondContact O-CB 3.46Å; L283-K287 PolarHBondContact O-N 3.17Å |
| 284 | Y | 91.7 | Very high | 87.8 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.1 | -56.8 | 173.2 | 160.4 | -114.8 | 0 | 0 | 0 | 111.2 | E7 Y267 I269 E280 R286 K287 F288 | E7-Y284 HydrophobicContact CG-CE1 4.17Å; E7-Y284 VanDerWaalsContact CG-OH 3.29Å; E7-Y284 WeakPolarHBondContact CG-OH 3.48Å; Y267-Y284 HydrophobicContact CD1-CD2 4.1Å; Y267-Y284 AromaticContact CD1-CE2 3.79Å; Y267-Y284 HydrophobicContact CD1-CE2 3.79Å; Y267-Y284 HydrophobicContact CD2-CE2 4.22Å; Y267-Y284 HydrophobicContact CE1-CE2 4.49Å; Y267-Y284 HydrophobicContact CG-CD2 4.3Å; Y267-Y284 AromaticContact CG-CE2 3.64Å; Y267-Y284 HydrophobicContact CG-CE2 3.64Å; I269-Y284 HydrophobicContact CD1-CD1 3.35Å; I269-Y284 HydrophobicContact CD1-CD2 3.57Å; I269-Y284 HydrophobicContact CD1-CE1 3.4Å; I269-Y284 HydrophobicContact CD1-CE2 3.65Å; I269-Y284 HydrophobicContact CD1-CG 3.43Å; I269-Y284 VanDerWaalsContact CD1-CG 3.43Å; I269-Y284 HydrophobicContact CG1-CD2 4.24Å; I269-Y284 HydrophobicContact CG1-CG 4.3Å; E280-Y284 WeakPolarHBondContact O-CB 3.48Å; E280-Y284 PolarHBondContact O-N 2.76Å; Y284-R286 VanDerWaalsContact C-N 3.26Å; Y284-R286 PolarHBondContact O-N 2.82Å; Y284-K287 PolarHBondContact O-N 2.86Å; Y284-F288 HydrophobicContact CD2-CB 4.38Å; Y284-F288 HydrophobicContact CE2-CB 3.83Å; Y284-F288 HydrophobicContact CE2-CG 4.46Å; Y284-F288 WeakPolarHBondContact O-CB 3.4Å; Y284-F288 PolarHBondContact O-N 2.86Å |
| 285 | L | 90.9 | Very high | 88.2 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -35.5 | -175.6 | -73.9 | 173 | 0 | 0 | 0 | 112 | L6 E7 V10 R281 G289 | L6-L285 HydrophobicContact CB-CD1 4.28Å; L6-L285 HydrophobicContact CB-CD2 4.02Å; E7-L285 HydrophobicContact CG-CD2 4.37Å; V10-L285 HydrophobicContact CG2-CB 4.14Å; V10-L285 HydrophobicContact CG2-CD1 4.2Å; V10-L285 HydrophobicContact CG2-CD2 4.16Å; V10-L285 HydrophobicContact CG2-CG 4.39Å; R281-L285 HydrophobicContact CG-CD1 4.02Å; R281-L285 HydrophobicContact CG-CG 4.46Å; R281-L285 VanDerWaalsContact O-CB 3.3Å; R281-L285 WeakPolarHBondContact O-CB 3.42Å; R281-L285 VanDerWaalsContact O-CG 3.27Å; R281-L285 WeakPolarHBondContact O-CG 3.39Å; R281-L285 PolarHBondContact O-N 2.96Å; L285-G289 PolarHBondContact O-N 3.21Å |
| 286 | R | 91 | Very high | 88.8 | Confident | 170 Ų | 170 | 63.8 Ų | 63.8 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.9 | -44.9 | 172.4 | -178.9 | 175.5 | 178.4 | 160.8 | 1.5 | 112 | A282 Y284 G289 M290 | A282-R286 WeakPolarHBondContact O-CB 3.47Å; A282-R286 PolarHBondContact O-N 2.91Å; Y284-R286 VanDerWaalsContact C-N 3.26Å; Y284-R286 PolarHBondContact O-N 2.82Å; R286-G289 PolarHBondContact O-N 2.89Å; R286-M290 HydrophobicContact CG-SD 4.02Å; R286-M290 WeakPolarHBondContact O-CB 3.21Å; R286-M290 WeakPolarHBondContact O-CG 3.47Å; R286-M290 PolarHBondContact O-N 3.33Å |
| 287 | K | 91.8 | Very high | 89.3 | Confident | 121 Ų | 121 | 61 Ų | 61 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -52 | 176.6 | -178.1 | -174.9 | 172.9 | -170.4 | 0 | 110.5 | Y267 L283 Y284 G289 M290 D291 | Y267-K287 HydrophobicContact CE1-CD 4.4Å; Y267-K287 HydrophobicContact CE1-CG 4.45Å; L283-K287 WeakPolarHBondContact O-CB 3.46Å; L283-K287 PolarHBondContact O-N 3.17Å; Y284-K287 PolarHBondContact O-N 2.86Å; K287-G289 VanDerWaalsContact C-N 3.33Å; K287-G289 PolarHBondContact O-N 2.87Å; K287-M290 PolarHBondContact O-N 3.16Å; K287-M290 VanDerWaalsContact O-N 3.14Å; K287-D291 WeakPolarHBondContact CE-OD2 3.13Å; K287-D291 WeakPolarHBondContact CG-OD2 3.19Å; K287-D291 WeakPolarHBondContact O-CB 3.28Å; K287-D291 PolarHBondContact O-N 2.76Å |
| 288 | F | 94.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.9 | -46.8 | 176.8 | 165.8 | -99.9 | 0 | 0 | 0 | 112.1 | E7 L11 V73 F211 Y267 Y284 M290 D291 F292 | E7-F288 HydrophobicContact CB-CD1 4.31Å; E7-F288 HydrophobicContact CB-CE1 3.65Å; E7-F288 HydrophobicContact CB-CZ 3.85Å; E7-F288 HydrophobicContact CG-CE1 4.26Å; E7-F288 HydrophobicContact CG-CZ 4.41Å; L11-F288 HydrophobicContact CD1-CE1 4.27Å; L11-F288 HydrophobicContact CD1-CZ 4.04Å; L11-F288 HydrophobicContact CD2-CE1 3.69Å; L11-F288 HydrophobicContact CD2-CZ 4.02Å; L11-F288 HydrophobicContact CG-CE1 3.79Å; L11-F288 HydrophobicContact CG-CZ 4.08Å; V73-F288 HydrophobicContact CG1-CE2 4.44Å; V73-F288 HydrophobicContact CG1-CZ 4.48Å; F211-F288 HydrophobicContact CB-CE2 3.99Å; F211-F288 HydrophobicContact CD1-CD2 4.2Å; F211-F288 AromaticContact CD1-CE2 3.94Å; F211-F288 HydrophobicContact CD1-CE2 3.94Å; F211-F288 HydrophobicContact CG-CE2 4.16Å; Y267-F288 HydrophobicContact CD2-CD2 4.49Å; Y267-F288 HydrophobicContact CE1-CB 4.29Å; Y267-F288 AromaticContact CE2-CD2 3.82Å; Y267-F288 HydrophobicContact CE2-CD2 3.82Å; Y267-F288 AromaticContact CZ-CD2 3.97Å; Y284-F288 HydrophobicContact CD2-CB 4.38Å; Y284-F288 HydrophobicContact CE2-CB 3.83Å; Y284-F288 HydrophobicContact CE2-CG 4.46Å; Y284-F288 WeakPolarHBondContact O-CB 3.4Å; Y284-F288 PolarHBondContact O-N 2.86Å; F288-M290 PolarHBondContact O-N 2.89Å; F288-D291 PolarHBondContact O-N 2.63Å; F288-F292 VanDerWaalsContact O-CB 3.29Å; F288-F292 WeakPolarHBondContact O-CB 3.36Å; F288-F292 PolarHBondContact O-N 3.04Å |
| 289 | G | 91.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | I15 L285 R286 K287 F292 E293 | I15-G289 WeakPolarHBondContact CD1-O 3.4Å; L285-G289 PolarHBondContact O-N 3.21Å; R286-G289 PolarHBondContact O-N 2.89Å; K287-G289 VanDerWaalsContact C-N 3.33Å; K287-G289 PolarHBondContact O-N 2.87Å; G289-F292 PolarHBondContact O-N 2.73Å; G289-E293 VanDerWaalsContact O-CB 3.26Å; G289-E293 WeakPolarHBondContact O-CB 3.44Å; G289-E293 PolarHBondContact O-N 2.86Å |
| 290 | M | 92 | Very high | 90.6 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 177.8 | -73.8 | 175.1 | 152.6 | 0 | 0 | 113 | R286 K287 F288 F292 E293 S294 | R286-M290 HydrophobicContact CG-SD 4.02Å; R286-M290 WeakPolarHBondContact O-CB 3.21Å; R286-M290 WeakPolarHBondContact O-CG 3.47Å; R286-M290 PolarHBondContact O-N 3.33Å; K287-M290 PolarHBondContact O-N 3.16Å; K287-M290 VanDerWaalsContact O-N 3.14Å; F288-M290 PolarHBondContact O-N 2.89Å; M290-F292 VanDerWaalsContact C-N 3.32Å; M290-E293 PolarHBondContact O-N 3.33Å; M290-S294 WeakPolarHBondContact O-CB 2.97Å; M290-S294 PolarHBondContact O-N 3.37Å |
| 291 | D | 93.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 47 Ų | 47 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -35.8 | 175.9 | -83.3 | -37.3 | 0 | 0 | 0 | 111.3 | R265 Y267 K287 F288 K295 | R265-D291 IonicContact NH2-OD1 2.78Å; Y267-D291 VanDerWaalsContact OH-CB 3.23Å; Y267-D291 WeakPolarHBondContact OH-CB 3.23Å; K287-D291 WeakPolarHBondContact CE-OD2 3.13Å; K287-D291 WeakPolarHBondContact CG-OD2 3.19Å; K287-D291 WeakPolarHBondContact O-CB 3.28Å; K287-D291 PolarHBondContact O-N 2.76Å; F288-D291 PolarHBondContact O-N 2.63Å; D291-K295 WeakPolarHBondContact O-CB 3.28Å; D291-K295 PolarHBondContact O-N 3.12Å |
| 292 | F | 94.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.9 | -50.1 | 173.3 | -169.8 | -74.9 | 0 | 0 | 0 | 111.7 | L11 I15 Y16 L19 I71 F211 F288 G289 M290 S294 K295 T296 | L11-F292 HydrophobicContact CD1-CD2 3.99Å; L11-F292 HydrophobicContact CD1-CE1 4.47Å; L11-F292 HydrophobicContact CD1-CE2 3.65Å; L11-F292 HydrophobicContact CD1-CZ 3.92Å; L11-F292 HydrophobicContact CD2-CB 3.9Å; L11-F292 HydrophobicContact CD2-CD1 3.7Å; L11-F292 HydrophobicContact CD2-CD2 3.74Å; L11-F292 HydrophobicContact CD2-CE1 4.11Å; L11-F292 HydrophobicContact CD2-CE2 4.14Å; L11-F292 HydrophobicContact CD2-CG 3.51Å; L11-F292 HydrophobicContact CD2-CZ 4.31Å; I15-F292 HydrophobicContact CG2-CD1 3.91Å; Y16-F292 HydrophobicContact CE1-CE1 4.03Å; Y16-F292 HydrophobicContact CE1-CZ 4.13Å; L19-F292 HydrophobicContact CD1-CE1 4.17Å; I71-F292 HydrophobicContact CD1-CE2 4.46Å; I71-F292 HydrophobicContact CD1-CZ 4.07Å; I71-F292 HydrophobicContact CG2-CE2 3.86Å; I71-F292 HydrophobicContact CG2-CZ 4.38Å; F211-F292 HydrophobicContact CD1-CD2 4.33Å; F211-F292 HydrophobicContact CD2-CD2 4.03Å; F211-F292 HydrophobicContact CD2-CE2 4.31Å; F211-F292 HydrophobicContact CE1-CB 3.93Å; F211-F292 AromaticContact CE1-CD2 3.95Å; F211-F292 HydrophobicContact CE1-CD2 3.95Å; F211-F292 HydrophobicContact CE1-CG 4.33Å; F211-F292 AromaticContact CE2-CD2 3.62Å; F211-F292 HydrophobicContact CE2-CD2 3.62Å; F211-F292 AromaticContact CE2-CE2 3.98Å; F211-F292 HydrophobicContact CE2-CE2 3.98Å; F211-F292 HydrophobicContact CE2-CG 4.47Å; F211-F292 HydrophobicContact CG-CD2 4.39Å; F211-F292 HydrophobicContact CZ-CB 4.06Å; F211-F292 AromaticContact CZ-CD2 3.59Å; F211-F292 HydrophobicContact CZ-CD2 3.59Å; F211-F292 HydrophobicContact CZ-CE2 4.37Å; F211-F292 HydrophobicContact CZ-CG 4.04Å; F288-F292 VanDerWaalsContact O-CB 3.29Å; F288-F292 WeakPolarHBondContact O-CB 3.36Å; F288-F292 PolarHBondContact O-N 3.04Å; G289-F292 PolarHBondContact O-N 2.73Å; M290-F292 VanDerWaalsContact C-N 3.32Å; F292-S294 PolarHBondContact O-N 2.81Å; F292-K295 PolarHBondContact O-N 3.35Å; F292-T296 WeakPolarHBondContact CD1-OG1 3.36Å; F292-T296 HydrophobicContact CE1-CG2 4.45Å; F292-T296 WeakPolarHBondContact CE1-OG1 3.44Å; F292-T296 VanDerWaalsContact O-CB 3.32Å; F292-T296 WeakPolarHBondContact O-CB 3.39Å; F292-T296 PolarHBondContact O-N 3.1Å; F292-T296 PolarHBondContact O-OG1 2.88Å |
| 293 | E | 92.6 | Very high | 90.4 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.6 | -52.5 | 178 | -172.9 | 176 | 152.7 | 0 | 0 | 111.1 | I15 K18 G289 M290 I297 | I15-E293 HydrophobicContact CD1-CB 4.37Å; I15-E293 WeakPolarHBondContact CD1-OE2 3.47Å; I15-E293 HydrophobicContact CG2-CB 3.87Å; I15-E293 HydrophobicContact CG2-CG 4.33Å; K18-E293 VanDerWaalsContact CD-CD 3.47Å; K18-E293 HydrophobicContact CD-CG 4.46Å; K18-E293 WeakPolarHBondContact CD-OE1 3.42Å; K18-E293 WeakPolarHBondContact CD-OE2 3.46Å; K18-E293 IonicContact NZ-OE1 3.46Å; K18-E293 PolarHBondContact NZ-OE1 3.15Å; K18-E293 IonicContact NZ-OE2 2.88Å; K18-E293 PolarHBondContact NZ-OE2 2.96Å; G289-E293 VanDerWaalsContact O-CB 3.26Å; G289-E293 WeakPolarHBondContact O-CB 3.44Å; G289-E293 PolarHBondContact O-N 2.86Å; M290-E293 PolarHBondContact O-N 3.33Å; E293-I297 HydrophobicContact CG-CD1 4.2Å; E293-I297 WeakPolarHBondContact O-CB 3.48Å; E293-I297 VanDerWaalsContact O-CG1 3.26Å; E293-I297 WeakPolarHBondContact O-CG1 3.45Å; E293-I297 PolarHBondContact O-N 3.41Å |
| 294 | S | 92.6 | Very high | 89.7 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 54% | 0.538 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 112.8 | M290 F292 S298 | M290-S294 WeakPolarHBondContact O-CB 2.97Å; M290-S294 PolarHBondContact O-N 3.37Å; F292-S294 PolarHBondContact O-N 2.81Å; S294-S298 WeakPolarHBondContact O-CB 3.05Å; S294-S298 PolarHBondContact O-N 2.96Å |
| 295 | K | 92.9 | Very high | 88.9 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 10% | 0.104 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.2 | -42.8 | -178.8 | -179.3 | 61.5 | -170 | -174.3 | 0 | 112.2 | F211 N262 N263 D291 F292 S298 L299 | F211-K295 HydrophobicContact CZ-CB 4.23Å; F211-K295 HydrophobicContact CZ-CG 4.33Å; N262-K295 WeakPolarHBondContact O-CE 3.27Å; N262-K295 PolarHBondContact O-NZ 3.19Å; N263-K295 PolarHBondContact OD1-NZ 2.98Å; D291-K295 WeakPolarHBondContact O-CB 3.28Å; D291-K295 PolarHBondContact O-N 3.12Å; F292-K295 PolarHBondContact O-N 3.35Å; K295-S298 WeakPolarHBondContact O-CB 3.27Å; K295-S298 PolarHBondContact O-N 2.95Å; K295-L299 HydrophobicContact CG-CD1 4.23Å; K295-L299 WeakPolarHBondContact O-CG 3.31Å; K295-L299 PolarHBondContact O-N 2.8Å |
| 296 | T | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.5 | -41 | -179.4 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | L19 F31 P68 I71 F292 S298 L299 I300 | L19-T296 HydrophobicContact CD1-CG2 3.78Å; L19-T296 HydrophobicContact CD2-CG2 4.25Å; F31-T296 HydrophobicContact CE2-CG2 4.34Å; P68-T296 HydrophobicContact CG-CG2 4.14Å; I71-T296 HydrophobicContact CD1-CG2 4.34Å; F292-T296 WeakPolarHBondContact CD1-OG1 3.36Å; F292-T296 HydrophobicContact CE1-CG2 4.45Å; F292-T296 WeakPolarHBondContact CE1-OG1 3.44Å; F292-T296 VanDerWaalsContact O-CB 3.32Å; F292-T296 WeakPolarHBondContact O-CB 3.39Å; F292-T296 PolarHBondContact O-N 3.1Å; F292-T296 PolarHBondContact O-OG1 2.88Å; T296-S298 PolarHBondContact O-N 3.19Å; T296-L299 PolarHBondContact O-N 3.49Å; T296-L299 VanDerWaalsContact O-N 3.15Å; T296-I300 HydrophobicContact CG2-CD1 3.98Å; T296-I300 WeakPolarHBondContact O-CD1 3.44Å; T296-I300 VanDerWaalsContact O-CG1 3.29Å; T296-I300 WeakPolarHBondContact O-CG1 3.31Å; T296-I300 PolarHBondContact O-N 3.2Å |
| 297 | I | 90.2 | Very high | 86.8 | Confident | 38 Ų | 38 | 42.3 Ų | 42.3 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.1 | -48.1 | 168.2 | -73.9 | 170.1 | 0 | 0 | 0 | 111.2 | L19 Y22 E293 L299 I300 D301 | L19-I297 HydrophobicContact CD2-CD1 4.28Å; L19-I297 HydrophobicContact CD2-CG1 3.67Å; Y22-I297 HydrophobicContact CD1-CD1 4.49Å; Y22-I297 HydrophobicContact CD1-CG1 3.99Å; Y22-I297 HydrophobicContact CD2-CD1 4.32Å; Y22-I297 HydrophobicContact CE1-CB 4.3Å; Y22-I297 HydrophobicContact CE1-CG1 3.94Å; Y22-I297 HydrophobicContact CE1-CG2 3.74Å; Y22-I297 HydrophobicContact CE2-CD1 4.37Å; Y22-I297 HydrophobicContact CE2-CG2 4.28Å; Y22-I297 HydrophobicContact CG-CD1 4.36Å; Y22-I297 HydrophobicContact CG-CG1 4.34Å; Y22-I297 VanDerWaalsContact OH-CG2 3.31Å; Y22-I297 WeakPolarHBondContact OH-CG2 3.48Å; E293-I297 HydrophobicContact CG-CD1 4.2Å; E293-I297 WeakPolarHBondContact O-CB 3.48Å; E293-I297 VanDerWaalsContact O-CG1 3.26Å; E293-I297 WeakPolarHBondContact O-CG1 3.45Å; E293-I297 PolarHBondContact O-N 3.41Å; I297-L299 PolarHBondContact O-N 3.23Å; I297-I300 PolarHBondContact O-N 3.46Å; I297-D301 WeakPolarHBondContact O-CB 3.33Å; I297-D301 PolarHBondContact O-N 3.46Å |
| 298 | S | 90.2 | Very high | 85.2 | Confident | 65 Ų | 65 | 38.9 Ų | 38.9 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -23.3 | 178.7 | 174.5 | 0 | 0 | 0 | 0 | 114.2 | S294 K295 T296 K302 | S294-S298 WeakPolarHBondContact O-CB 3.05Å; S294-S298 PolarHBondContact O-N 2.96Å; K295-S298 WeakPolarHBondContact O-CB 3.27Å; K295-S298 PolarHBondContact O-N 2.95Å; T296-S298 PolarHBondContact O-N 3.19Å; S298-K302 WeakPolarHBondContact O-CB 3.43Å |
| 299 | L | 89.8 | Confident | 83.3 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -85.3 | -40.5 | 175.1 | -70 | 165.3 | 0 | 0 | 0 | 111.4 | P68 R206 A209 K295 T296 I297 K302 A303 | P68-L299 HydrophobicContact CG-CB 3.81Å; P68-L299 HydrophobicContact CG-CD1 4.47Å; R206-L299 WeakPolarHBondContact O-CD2 3.43Å; A209-L299 HydrophobicContact CB-CD1 4.04Å; K295-L299 HydrophobicContact CG-CD1 4.23Å; K295-L299 WeakPolarHBondContact O-CG 3.31Å; K295-L299 PolarHBondContact O-N 2.8Å; T296-L299 PolarHBondContact O-N 3.49Å; T296-L299 VanDerWaalsContact O-N 3.15Å; I297-L299 PolarHBondContact O-N 3.23Å; L299-K302 PolarHBondContact O-N 3.1Å; L299-A303 WeakPolarHBondContact O-CB 2.87Å; L299-A303 PolarHBondContact O-N 3.23Å |
| 300 | I | 87.6 | Confident | 81.2 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -55.8 | 174.2 | -66.6 | 158.4 | 0 | 0 | 0 | 110.2 | L19 Y27 F31 P68 T296 I297 K302 A303 V304 | L19-I300 HydrophobicContact CD2-CD1 4.45Å; Y27-I300 HydrophobicContact CD2-CG2 4.34Å; Y27-I300 HydrophobicContact CE2-CG2 4.24Å; F31-I300 HydrophobicContact CD2-CD1 4.36Å; F31-I300 HydrophobicContact CE2-CD1 4.35Å; P68-I300 HydrophobicContact CG-CG1 4.03Å; T296-I300 HydrophobicContact CG2-CD1 3.98Å; T296-I300 WeakPolarHBondContact O-CD1 3.44Å; T296-I300 VanDerWaalsContact O-CG1 3.29Å; T296-I300 WeakPolarHBondContact O-CG1 3.31Å; T296-I300 PolarHBondContact O-N 3.2Å; I297-I300 PolarHBondContact O-N 3.46Å; I300-K302 PolarHBondContact O-N 3.12Å; I300-A303 PolarHBondContact O-N 3.24Å; I300-A303 VanDerWaalsContact O-N 3.13Å; I300-V304 HydrophobicContact CG2-CG2 4.41Å; I300-V304 WeakPolarHBondContact O-CG2 3.36Å; I300-V304 PolarHBondContact O-N 3.11Å |
| 301 | D | 86.8 | Confident | 79.2 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.3 | -42.8 | 178.9 | -85.6 | 26.6 | 0 | 0 | 0 | 111.7 | Y22 K26 Y27 I297 S305 | Y22-D301 WeakPolarHBondContact CE1-OD1 3.5Å; Y22-D301 VanDerWaalsContact OH-CG 3.29Å; Y22-D301 PolarHBondContact OH-OD1 2.85Å; Y22-D301 PolarHBondContact OH-OD2 3.38Å; K26-D301 IonicContact NZ-OD1 3.84Å; K26-D301 PolarHBondContact NZ-OD1 3.39Å; K26-D301 IonicContact NZ-OD2 3.24Å; K26-D301 PolarHBondContact NZ-OD2 3.48Å; Y27-D301 PolarHBondContact OH-OD1 3.39Å; I297-D301 WeakPolarHBondContact O-CB 3.33Å; I297-D301 PolarHBondContact O-N 3.46Å; D301-S305 WeakPolarHBondContact O-CB 3.46Å; D301-S305 PolarHBondContact O-N 3.24Å; D301-S305 VanDerWaalsContact O-N 3.1Å; D301-S305 PolarHBondContact O-OG 2.77Å |
| 302 | K | 84.1 | Confident | 77.3 | Confident | 78 Ų | 78 | 56 Ų | 56 | 34% | 0.339 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.6 | -47 | 179.6 | -177.1 | 178.7 | 172.9 | -67.8 | 0 | 111.9 | S298 L299 I300 S305 E306 | S298-K302 WeakPolarHBondContact O-CB 3.43Å; L299-K302 PolarHBondContact O-N 3.1Å; I300-K302 PolarHBondContact O-N 3.12Å; K302-S305 WeakPolarHBondContact CA-OG 3.48Å; K302-S305 PolarHBondContact O-N 2.92Å; K302-S305 PolarHBondContact O-OG 2.8Å; K302-E306 IonicContact NZ-OE1 2.73Å; K302-E306 PolarHBondContact NZ-OE1 3.28Å; K302-E306 IonicContact NZ-OE2 3.8Å; K302-E306 PolarHBondContact NZ-OE2 3.38Å; K302-E306 PolarHBondContact O-N 2.85Å |
| 303 | A | 81 | Confident | 75.9 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -46 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I66 L299 I300 S305 E306 M307 | I66-A303 WeakPolarHBondContact O-CB 3.15Å; L299-A303 WeakPolarHBondContact O-CB 2.87Å; L299-A303 PolarHBondContact O-N 3.23Å; I300-A303 PolarHBondContact O-N 3.24Å; I300-A303 VanDerWaalsContact O-N 3.13Å; A303-S305 VanDerWaalsContact C-N 3.3Å; A303-S305 PolarHBondContact O-N 2.79Å; A303-E306 PolarHBondContact O-N 3.09Å; A303-E306 VanDerWaalsContact O-N 3.11Å; A303-M307 WeakPolarHBondContact O-CB 3.37Å; A303-M307 PolarHBondContact O-N 2.78Å |
| 304 | V | 74.9 | Confident | 74.9 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 111 | Y27 F29 I300 E306 M307 S308 | Y27-V304 HydrophobicContact CD1-CG1 3.75Å; Y27-V304 HydrophobicContact CD2-CG2 4.38Å; Y27-V304 HydrophobicContact CE1-CB 4.26Å; Y27-V304 HydrophobicContact CE1-CG1 3.72Å; Y27-V304 HydrophobicContact CE2-CG2 4.46Å; Y27-V304 HydrophobicContact CG-CG1 4.33Å; Y27-V304 HydrophobicContact CG-CG2 4.44Å; F29-V304 HydrophobicContact CD2-CG2 4.16Å; F29-V304 HydrophobicContact CE2-CG1 4.27Å; F29-V304 HydrophobicContact CE2-CG2 3.88Å; I300-V304 HydrophobicContact CG2-CG2 4.41Å; I300-V304 WeakPolarHBondContact O-CG2 3.36Å; I300-V304 PolarHBondContact O-N 3.11Å; V304-E306 VanDerWaalsContact C-N 3.33Å; V304-E306 PolarHBondContact O-N 3.35Å; V304-M307 PolarHBondContact O-N 2.87Å; V304-S308 WeakPolarHBondContact O-CB 3.19Å; V304-S308 PolarHBondContact O-N 3.25Å; V304-S308 PolarHBondContact O-OG 2.77Å |
| 305 | S | 74.9 | Confident | 74.4 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 47% | 0.469 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.9 | -22.6 | 175.9 | 74.6 | 0 | 0 | 0 | 0 | 115.2 | D301 K302 A303 N309 | D301-S305 WeakPolarHBondContact O-CB 3.46Å; D301-S305 PolarHBondContact O-N 3.24Å; D301-S305 VanDerWaalsContact O-N 3.1Å; D301-S305 PolarHBondContact O-OG 2.77Å; K302-S305 WeakPolarHBondContact CA-OG 3.48Å; K302-S305 PolarHBondContact O-N 2.92Å; K302-S305 PolarHBondContact O-OG 2.8Å; A303-S305 VanDerWaalsContact C-N 3.3Å; A303-S305 PolarHBondContact O-N 2.79Å; S305-N309 PolarHBondContact O-ND2 2.89Å |
| 306 | E | 72.5 | Confident | 73.7 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -79.3 | -35.4 | 171.1 | -75.1 | 175.5 | 147.2 | 0 | 0 | 110.3 | R206 K302 A303 V304 N309 | R206-E306 IonicContact NH1-OE1 2.6Å; K302-E306 IonicContact NZ-OE1 2.73Å; K302-E306 PolarHBondContact NZ-OE1 3.28Å; K302-E306 IonicContact NZ-OE2 3.8Å; K302-E306 PolarHBondContact NZ-OE2 3.38Å; K302-E306 PolarHBondContact O-N 2.85Å; A303-E306 PolarHBondContact O-N 3.09Å; A303-E306 VanDerWaalsContact O-N 3.11Å; V304-E306 VanDerWaalsContact C-N 3.33Å; V304-E306 PolarHBondContact O-N 3.35Å; E306-N309 PolarHBondContact O-ND2 2.95Å |
| 307 | M | 65.5 | Low | 72.9 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -85 | -28.9 | -174.9 | -148.9 | 163 | -168.1 | 0 | 0 | 114.8 | I66 A303 V304 N309 F310 E311 | I66-M307 HydrophobicContact CB-SD 4Å; I66-M307 HydrophobicContact CD1-SD 4.11Å; I66-M307 HydrophobicContact CG1-CE 4.04Å; I66-M307 HydrophobicContact CG1-SD 3.68Å; I66-M307 HydrophobicContact CG2-SD 3.51Å; I66-M307 VanDerWaalsContact CG2-SD 3.51Å; A303-M307 WeakPolarHBondContact O-CB 3.37Å; A303-M307 PolarHBondContact O-N 2.78Å; V304-M307 PolarHBondContact O-N 2.87Å; M307-N309 PolarHBondContact O-N 2.75Å; M307-F310 PolarHBondContact O-N 3.39Å; M307-E311 HydrophobicContact CE-CG 4.31Å; M307-E311 WeakPolarHBondContact CE-OE1 3.15Å; M307-E311 HydrophobicContact CG-CG 4.13Å; M307-E311 PolarHBondContact O-N 2.83Å |
| 308 | S | 57.1 | Low | 72.5 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 5 | 178.6 | 66.8 | 0 | 0 | 0 | 0 | 115.2 | V304 N312 | V304-S308 WeakPolarHBondContact O-CB 3.19Å; V304-S308 PolarHBondContact O-N 3.25Å; V304-S308 PolarHBondContact O-OG 2.77Å; S308-N312 PolarHBondContact O-ND2 2.7Å |
| 309 | N | 54.2 | Low | 72.3 | Confident | 117 Ų | 117 | 62.5 Ų | 62.5 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -11.3 | 174.6 | -52.9 | -71.1 | 0 | 0 | 0 | 112.6 | S305 E306 M307 | S305-N309 PolarHBondContact O-ND2 2.89Å; E306-N309 PolarHBondContact O-ND2 2.95Å; M307-N309 PolarHBondContact O-N 2.75Å |
| 310 | F | 48.3 | Very low | 71.9 | Confident | 166 Ų | 166 | 65.2 Ų | 65.2 | 73% | 0.728 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | -40.9 | -174.7 | -74.7 | -82.7 | 0 | 0 | 0 | 114.2 | M307 N312 | M307-F310 PolarHBondContact O-N 3.39Å; F310-N312 PolarHBondContact O-N 2.83Å |
| 311 | E | 49.1 | Very low | 71.5 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 38% | 0.379 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.9 | -171.1 | -66.6 | -170.2 | 142.5 | 0 | 0 | 115.5 | M307 D313 | M307-E311 HydrophobicContact CE-CG 4.31Å; M307-E311 WeakPolarHBondContact CE-OE1 3.15Å; M307-E311 HydrophobicContact CG-CG 4.13Å; M307-E311 PolarHBondContact O-N 2.83Å; E311-D313 PolarHBondContact O-N 3.49Å; E311-D313 VanDerWaalsContact O-N 3.11Å |
| 312 | N | 54.4 | Low | 71.6 | Confident | 130 Ų | 130 | 64.5 Ų | 64.5 | 70% | 0.695 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -8.4 | -172.2 | -70.3 | 0.1 | 0 | 0 | 0 | 115 | S308 F310 | S308-N312 PolarHBondContact O-ND2 2.7Å; F310-N312 PolarHBondContact O-N 2.83Å |
| 313 | D | 65.4 | Low | 71.7 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | trans | -99.8 | 105.1 | 169.9 | -175.1 | 12.2 | 0 | 0 | 0 | 111.1 | E311 L315 Y316 V317 R458 | E311-D313 PolarHBondContact O-N 3.49Å; E311-D313 VanDerWaalsContact O-N 3.11Å; D313-L315 PolarHBondContact O-N 3.14Å; D313-L315 VanDerWaalsContact O-N 3.08Å; D313-L315 VanDerWaalsContact OD1-CB 3.3Å; D313-L315 WeakPolarHBondContact OD1-CB 3.4Å; D313-L315 PolarHBondContact OD1-N 3.08Å; D313-Y316 WeakPolarHBondContact O-CB 2.88Å; D313-Y316 PolarHBondContact O-N 2.86Å; D313-V317 PolarHBondContact O-N 2.89Å; D313-R458 IonicContact OD1-NH2 3.59Å; D313-R458 PolarHBondContact OD1-NH2 3.03Å | ||
| 314 | E | 71 | Confident | 71.6 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -50 | -32.4 | 174.1 | -57.5 | 162.2 | 155.9 | 0 | 0 | 112.9 | E318 Y455 R458 R485 | E314-E318 VanDerWaalsContact O-CB 3.28Å; E314-E318 WeakPolarHBondContact O-CB 3.44Å; E314-E318 PolarHBondContact O-N 3.31Å; E314-Y455 HydrophobicContact CB-CE1 4Å; E314-R458 IonicContact OE2-CZ 2.82Å; E314-R458 IonicContact OE2-NH1 2.82Å; E314-R458 PolarHBondContact OE2-NH1 2.81Å; E314-R458 IonicContact OE2-NH2 3.67Å; E314-R485 IonicContact OE1-CZ 2.65Å; E314-R485 IonicContact OE1-NE 2.65Å; E314-R485 IonicContact OE1-NH2 2.87Å; E314-R485 PolarHBondContact OE1-NH2 3.22Å; E314-R485 IonicContact OE2-CZ 3.78Å; E314-R485 VanDerWaalsContact OE2-CZ 3.27Å; E314-R485 IonicContact OE2-NE 3.19Å; E314-R485 PolarHBondContact OE2-NE 2.96Å; E314-R485 IonicContact OE2-NH2 3.7Å; E314-R485 PolarHBondContact OE2-NH2 2.88Å |
| 315 | L | 81 | Confident | 71.8 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 179.8 | 179.4 | 68.2 | 0 | 0 | 0 | 111.8 | D313 V319 Y455 R458 Q459 A462 | D313-L315 PolarHBondContact O-N 3.14Å; D313-L315 VanDerWaalsContact O-N 3.08Å; D313-L315 VanDerWaalsContact OD1-CB 3.3Å; D313-L315 WeakPolarHBondContact OD1-CB 3.4Å; D313-L315 PolarHBondContact OD1-N 3.08Å; L315-V319 HydrophobicContact CD1-CG2 4.29Å; L315-V319 WeakPolarHBondContact O-CB 3.46Å; L315-V319 VanDerWaalsContact O-CG2 3.28Å; L315-V319 WeakPolarHBondContact O-CG2 3.31Å; L315-V319 PolarHBondContact O-N 2.82Å; L315-Y455 HydrophobicContact CD1-CD1 4.29Å; L315-Y455 WeakPolarHBondContact CD1-O 3.16Å; L315-R458 HydrophobicContact CD1-CB 3.91Å; L315-R458 HydrophobicContact CD2-CB 4.07Å; L315-R458 HydrophobicContact CG-CB 4.48Å; L315-Q459 HydrophobicContact CD1-CB 4.1Å; L315-A462 HydrophobicContact CD2-CB 4.18Å |
| 316 | Y | 78.3 | Confident | 72.2 | Confident | 135 Ų | 135 | 66.3 Ų | 66.3 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 177.9 | 177.5 | -99.4 | 0 | 0 | 0 | 111 | D313 V319 L320 | D313-Y316 WeakPolarHBondContact O-CB 2.88Å; D313-Y316 PolarHBondContact O-N 2.86Å; Y316-V319 PolarHBondContact O-N 3.35Å; Y316-L320 HydrophobicContact CE1-CD2 4.12Å; Y316-L320 VanDerWaalsContact O-CB 3.27Å; Y316-L320 WeakPolarHBondContact O-CB 3.29Å; Y316-L320 PolarHBondContact O-N 3.19Å |
| 317 | V | 74.9 | Confident | 72.7 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 178 | -177.7 | 0 | 0 | 0 | 0 | 111 | D313 V319 L320 Q321 | D313-V317 PolarHBondContact O-N 2.89Å; V317-V319 PolarHBondContact O-N 3.32Å; V317-L320 PolarHBondContact O-N 2.79Å; V317-Q321 WeakPolarHBondContact O-CB 3.25Å; V317-Q321 PolarHBondContact O-N 2.79Å |
| 318 | E | 82.1 | Confident | 73.2 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.028 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.5 | -50.4 | 175.4 | 169 | 70.4 | -168.6 | 0 | 0 | 111.7 | E314 L320 Q321 H322 R438 S443 G445 Y455 | E314-E318 VanDerWaalsContact O-CB 3.28Å; E314-E318 WeakPolarHBondContact O-CB 3.44Å; E314-E318 PolarHBondContact O-N 3.31Å; E318-L320 PolarHBondContact O-N 3.36Å; E318-Q321 PolarHBondContact O-N 3.17Å; E318-H322 PolarHBondContact O-CD2 3.06Å; E318-H322 PolarHBondContact O-N 3.48Å; E318-H322 IonicContact OE1-CD2 2.7Å; E318-H322 PolarHBondContact OE1-CD2 2.99Å; E318-H322 VanDerWaalsContact OE1-CD2 3.3Å; E318-H322 IonicContact OE1-NE2 3.56Å; E318-H322 PolarHBondContact OE1-NE2 3.24Å; E318-H322 IonicContact OE2-NE2 2.67Å; E318-R438 IonicContact OE1-NE 3.22Å; E318-R438 PolarHBondContact OE1-NE 3.44Å; E318-S443 PolarHBondContact OE1-OG 2.95Å; E318-S443 VanDerWaalsContact OE2-CB 3.26Å; E318-S443 WeakPolarHBondContact OE2-CB 3.42Å; E318-S443 PolarHBondContact OE2-OG 3.06Å; E318-G445 WeakPolarHBondContact OE2-CA 3.49Å; E318-G445 PolarHBondContact OE2-N 2.9Å; E318-Y455 HydrophobicContact CB-CD1 3.88Å; E318-Y455 HydrophobicContact CB-CE1 3.95Å; E318-Y455 HydrophobicContact CG-CD1 3.65Å; E318-Y455 HydrophobicContact CG-CE1 4.17Å; E318-Y455 HydrophobicContact CG-CG 4.1Å |
| 319 | V | 85.5 | Confident | 74.3 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | -179.8 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L315 Y316 V317 Q321 H322 L323 Q459 | L315-V319 HydrophobicContact CD1-CG2 4.29Å; L315-V319 WeakPolarHBondContact O-CB 3.46Å; L315-V319 VanDerWaalsContact O-CG2 3.28Å; L315-V319 WeakPolarHBondContact O-CG2 3.31Å; L315-V319 PolarHBondContact O-N 2.82Å; Y316-V319 PolarHBondContact O-N 3.35Å; V317-V319 PolarHBondContact O-N 3.32Å; V319-Q321 VanDerWaalsContact C-N 3.35Å; V319-H322 PolarHBondContact O-N 3.17Å; V319-L323 HydrophobicContact CG1-CD1 3.86Å; V319-L323 HydrophobicContact CG1-CG 4.36Å; V319-L323 WeakPolarHBondContact O-CG 3.4Å; V319-L323 PolarHBondContact O-N 2.88Å; V319-Q459 HydrophobicContact CG2-CG 4.46Å |
| 320 | L | 81.5 | Confident | 75.6 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.4 | -178.5 | 59.7 | 0 | 0 | 0 | 111.7 | Y316 V317 E318 L323 N324 | Y316-L320 HydrophobicContact CE1-CD2 4.12Å; Y316-L320 VanDerWaalsContact O-CB 3.27Å; Y316-L320 WeakPolarHBondContact O-CB 3.29Å; Y316-L320 PolarHBondContact O-N 3.19Å; V317-L320 PolarHBondContact O-N 2.79Å; E318-L320 PolarHBondContact O-N 3.36Å; L320-L323 PolarHBondContact O-N 2.87Å; L320-N324 WeakPolarHBondContact O-CB 3.2Å; L320-N324 VanDerWaalsContact O-CG 3.29Å; L320-N324 PolarHBondContact O-N 2.76Å |
| 321 | Q | 79.1 | Confident | 76.7 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 176.6 | -175.6 | 164.2 | 2.7 | 0 | 0 | 111.6 | V317 E318 V319 N324 H325 T442 | V317-Q321 WeakPolarHBondContact O-CB 3.25Å; V317-Q321 PolarHBondContact O-N 2.79Å; E318-Q321 PolarHBondContact O-N 3.17Å; V319-Q321 VanDerWaalsContact C-N 3.35Å; Q321-N324 PolarHBondContact O-N 3.11Å; Q321-H325 PolarHBondContact O-N 2.81Å; Q321-H325 PolarHBondContact O-ND1 3.2Å; Q321-T442 PolarHBondContact NE2-O 2.81Å |
| 322 | H | 88.2 | Confident | 77.5 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 177.1 | -69.5 | -66 | 0 | 0 | 0 | 113.2 | E318 V319 C326 R438 F439 T442 S443 T446 | E318-H322 PolarHBondContact O-CD2 3.06Å; E318-H322 PolarHBondContact O-N 3.48Å; E318-H322 IonicContact OE1-CD2 2.7Å; E318-H322 PolarHBondContact OE1-CD2 2.99Å; E318-H322 VanDerWaalsContact OE1-CD2 3.3Å; E318-H322 IonicContact OE1-NE2 3.56Å; E318-H322 PolarHBondContact OE1-NE2 3.24Å; E318-H322 IonicContact OE2-NE2 2.67Å; V319-H322 PolarHBondContact O-N 3.17Å; H322-C326 VanDerWaalsContact O-CB 3.27Å; H322-C326 WeakPolarHBondContact O-CB 2.97Å; H322-C326 PolarHBondContact O-N 2.86Å; H322-R438 WeakPolarHBondContact CD2-CD 3.46Å; H322-R438 VanDerWaalsContact NE2-CD 3.3Å; H322-R438 WeakPolarHBondContact NE2-CD 3.48Å; H322-F439 PolarHBondContact CE1-O 2.81Å; H322-F439 AromaticContact ND1-CD2 3.78Å; H322-F439 PolarHBondContact ND1-N 2.97Å; H322-F439 VanDerWaalsContact ND1-N 3.16Å; H322-F439 WeakPolarHBondContact O-CE2 3.19Å; H322-T442 PolarHBondContact CE1-OG1 2.91Å; H322-S443 PolarHBondContact NE2-OG 3.35Å; H322-T446 WeakPolarHBondContact NE2-CG2 3.4Å |
| 323 | L | 86.2 | Confident | 78.6 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 45% | 0.45 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -34.5 | 176.3 | -70.5 | 174.9 | 0 | 0 | 0 | 112.7 | V319 L320 C326 N327 | V319-L323 HydrophobicContact CG1-CD1 3.86Å; V319-L323 HydrophobicContact CG1-CG 4.36Å; V319-L323 WeakPolarHBondContact O-CG 3.4Å; V319-L323 PolarHBondContact O-N 2.88Å; L320-L323 PolarHBondContact O-N 2.87Å; L323-C326 WeakPolarHBondContact O-CB 3.14Å; L323-C326 PolarHBondContact O-N 2.84Å; L323-N327 PolarHBondContact O-N 2.9Å; L323-N327 PolarHBondContact O-ND2 3Å |
| 324 | N | 80.4 | Confident | 78.9 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 40% | 0.401 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66 | -50 | 174.5 | -73.3 | -11.6 | 0 | 0 | 0 | 111.5 | L320 Q321 C326 N327 E328 | L320-N324 WeakPolarHBondContact O-CB 3.2Å; L320-N324 VanDerWaalsContact O-CG 3.29Å; L320-N324 PolarHBondContact O-N 2.76Å; Q321-N324 PolarHBondContact O-N 3.11Å; N324-C326 VanDerWaalsContact C-N 3.26Å; N324-C326 PolarHBondContact O-N 3.03Å; N324-N327 WeakPolarHBondContact O-CB 3.48Å; N324-N327 PolarHBondContact O-N 3.4Å; N324-N327 VanDerWaalsContact O-N 3.08Å; N324-E328 WeakPolarHBondContact O-CG 3.43Å; N324-E328 PolarHBondContact O-N 3.3Å |
| 325 | H | 77.9 | Confident | 79.1 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.2 | -41.9 | 172.6 | -73 | 86.4 | 0 | 0 | 0 | 111.6 | Q321 N327 E328 F329 F439 | Q321-H325 PolarHBondContact O-N 2.81Å; Q321-H325 PolarHBondContact O-ND1 3.2Å; H325-N327 VanDerWaalsContact C-N 3.34Å; H325-N327 PolarHBondContact O-N 2.78Å; H325-E328 PolarHBondContact O-N 2.83Å; H325-F329 HydrophobicContact CB-CD2 4.42Å; H325-F329 HydrophobicContact CB-CE2 3.99Å; H325-F329 WeakPolarHBondContact O-CD2 3.45Å; H325-F329 WeakPolarHBondContact O-CG 3.34Å; H325-F329 PolarHBondContact O-N 3.04Å; H325-F439 HydrophobicContact CB-CD2 3.86Å; H325-F439 HydrophobicContact CB-CE2 3.88Å |
| 326 | C | 84.3 | Confident | 79.2 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 112 | H322 L323 N324 I330 F439 | H322-C326 VanDerWaalsContact O-CB 3.27Å; H322-C326 WeakPolarHBondContact O-CB 2.97Å; H322-C326 PolarHBondContact O-N 2.86Å; L323-C326 WeakPolarHBondContact O-CB 3.14Å; L323-C326 PolarHBondContact O-N 2.84Å; N324-C326 VanDerWaalsContact C-N 3.26Å; N324-C326 PolarHBondContact O-N 3.03Å; C326-I330 WeakPolarHBondContact O-CB 3.46Å; C326-I330 VanDerWaalsContact O-CD1 3.25Å; C326-I330 WeakPolarHBondContact O-CD1 3.44Å; C326-I330 WeakPolarHBondContact O-CG1 3.49Å; C326-I330 PolarHBondContact O-N 2.78Å; C326-F439 HydrophobicContact CB-CE2 3.98Å; C326-F439 HydrophobicContact CB-CZ 4.18Å |
| 327 | N | 82 | Confident | 79.3 | Confident | 88 Ų | 88 | 54.4 Ų | 54.4 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 176.3 | -74.6 | -37 | 0 | 0 | 0 | 112.1 | L323 N324 H325 I330 Q331 | L323-N327 PolarHBondContact O-N 2.9Å; L323-N327 PolarHBondContact O-ND2 3Å; N324-N327 WeakPolarHBondContact O-CB 3.48Å; N324-N327 PolarHBondContact O-N 3.4Å; N324-N327 VanDerWaalsContact O-N 3.08Å; H325-N327 VanDerWaalsContact C-N 3.34Å; H325-N327 PolarHBondContact O-N 2.78Å; N327-I330 PolarHBondContact O-N 3.39Å; N327-Q331 WeakPolarHBondContact O-CG 3.27Å; N327-Q331 PolarHBondContact O-N 2.87Å; N327-Q331 VanDerWaalsContact O-N 3.15Å |
| 328 | E | 75.8 | Confident | 79.7 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.9 | -51.3 | 176.6 | -71.9 | 173.6 | -168.9 | 0 | 0 | 111.2 | N324 H325 I330 Q331 | N324-E328 WeakPolarHBondContact O-CG 3.43Å; N324-E328 PolarHBondContact O-N 3.3Å; H325-E328 PolarHBondContact O-N 2.83Å; E328-I330 PolarHBondContact O-N 3.23Å; E328-I330 VanDerWaalsContact O-N 3.13Å; E328-Q331 PolarHBondContact O-N 3.48Å |
| 329 | F | 80.3 | Confident | 79.9 | Confident | 43 Ų | 43 | 56 Ų | 56 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -14.3 | 179.2 | -61.6 | -47.3 | 0 | 0 | 0 | 114.7 | H325 T366 A370 F439 Y789 | H325-F329 HydrophobicContact CB-CD2 4.42Å; H325-F329 HydrophobicContact CB-CE2 3.99Å; H325-F329 WeakPolarHBondContact O-CD2 3.45Å; H325-F329 WeakPolarHBondContact O-CG 3.34Å; H325-F329 PolarHBondContact O-N 3.04Å; F329-T366 HydrophobicContact CD1-CG2 4.37Å; F329-T366 HydrophobicContact CD2-CG2 3.61Å; F329-T366 HydrophobicContact CE1-CG2 4.1Å; F329-T366 HydrophobicContact CE2-CG2 3.3Å; F329-T366 HydrophobicContact CG-CG2 4.16Å; F329-T366 HydrophobicContact CZ-CG2 3.58Å; F329-A370 HydrophobicContact CB-CB 3.72Å; F329-A370 HydrophobicContact CD2-CB 4.41Å; F329-F439 HydrophobicContact CD2-CD1 4.47Å; F329-F439 AromaticContact CD2-CE1 3.81Å; F329-F439 HydrophobicContact CD2-CE1 3.81Å; F329-F439 HydrophobicContact CD2-CE2 4.36Å; F329-F439 AromaticContact CD2-CZ 3.75Å; F329-F439 HydrophobicContact CD2-CZ 3.75Å; F329-F439 HydrophobicContact CE2-CD1 4.11Å; F329-F439 AromaticContact CE2-CE1 3.92Å; F329-F439 HydrophobicContact CE2-CE1 3.92Å; F329-F439 HydrophobicContact CE2-CE2 4.43Å; F329-F439 HydrophobicContact CE2-CG 4.45Å; F329-F439 HydrophobicContact CE2-CZ 4.09Å; F329-Y789 HydrophobicContact CZ-CE1 4.43Å |
| 330 | I | 82.7 | Confident | 80 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 17% | 0.174 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -93.8 | -31.2 | 179.7 | -73.7 | 169.7 | 0 | 0 | 0 | 112.9 | C326 N327 E328 E332 F333 A370 V374 | C326-I330 WeakPolarHBondContact O-CB 3.46Å; C326-I330 VanDerWaalsContact O-CD1 3.25Å; C326-I330 WeakPolarHBondContact O-CD1 3.44Å; C326-I330 WeakPolarHBondContact O-CG1 3.49Å; C326-I330 PolarHBondContact O-N 2.78Å; N327-I330 PolarHBondContact O-N 3.39Å; E328-I330 PolarHBondContact O-N 3.23Å; E328-I330 VanDerWaalsContact O-N 3.13Å; I330-E332 PolarHBondContact O-N 3.18Å; I330-F333 PolarHBondContact O-N 2.79Å; I330-A370 HydrophobicContact CD1-CB 4.34Å; I330-A370 WeakPolarHBondContact CD1-O 3.39Å; I330-A370 HydrophobicContact CG1-CB 3.98Å; I330-V374 HydrophobicContact CD1-CB 3.86Å; I330-V374 HydrophobicContact CD1-CG2 3.36Å |
| 331 | Q | 71 | Confident | 80.3 | Confident | 157 Ų | 157 | 57.2 Ų | 57.2 | 73% | 0.734 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -55.8 | -27.9 | -178.4 | -77.1 | 177 | 48.8 | 0 | 0 | 113 | N327 E328 | N327-Q331 WeakPolarHBondContact O-CG 3.27Å; N327-Q331 PolarHBondContact O-N 2.87Å; N327-Q331 VanDerWaalsContact O-N 3.15Å; E328-Q331 PolarHBondContact O-N 3.48Å |
| 332 | E | 65.4 | Low | 80.7 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 10.1 | -172.8 | -49.9 | 179.3 | 117.6 | 0 | 0 | 112.5 | I330 H334 L608 R612 | I330-E332 PolarHBondContact O-N 3.18Å; E332-H334 PolarHBondContact O-CD2 3.19Å; E332-H334 PolarHBondContact O-N 2.86Å; E332-L608 WeakPolarHBondContact O-CD1 3.34Å; E332-R612 VanDerWaalsContact CD-NH2 3.28Å; E332-R612 IonicContact OE1-CZ 2.75Å; E332-R612 IonicContact OE1-NE 2.79Å; E332-R612 IonicContact OE1-NH1 3.8Å; E332-R612 PolarHBondContact OE1-NH1 3.46Å; E332-R612 IonicContact OE1-NH2 2.76Å; E332-R612 PolarHBondContact OE1-NH2 3.28Å; E332-R612 IonicContact OE2-CZ 2.75Å; E332-R612 IonicContact OE2-NH1 2.76Å; E332-R612 PolarHBondContact OE2-NH1 2.88Å; E332-R612 IonicContact OE2-NH2 2.77Å; E332-R612 PolarHBondContact OE2-NH2 3.02Å |
| 333 | F | 77.9 | Confident | 80.7 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | trans | -76.7 | 117.6 | -173 | -174.1 | -84.6 | 0 | 0 | 0 | 112.8 | I330 G335 R336 L340 S367 V368 K371 | I330-F333 PolarHBondContact O-N 2.79Å; F333-G335 WeakPolarHBondContact CE1-O 3.48Å; F333-R336 HydrophobicContact CZ-CB 3.97Å; F333-R336 HydrophobicContact CZ-CG 4.23Å; F333-L340 HydrophobicContact CE1-CD1 4.07Å; F333-L340 HydrophobicContact CZ-CD1 4.33Å; F333-S367 VanDerWaalsContact CD2-O 3.28Å; F333-S367 WeakPolarHBondContact CD2-O 3.24Å; F333-S367 WeakPolarHBondContact CE2-O 3.24Å; F333-V368 HydrophobicContact CE2-CB 4.47Å; F333-V368 HydrophobicContact CE2-CG2 3.97Å; F333-V368 HydrophobicContact CZ-CG2 4.32Å; F333-K371 HydrophobicContact CB-CD 4.49Å; F333-K371 HydrophobicContact CD1-CB 4.14Å; F333-K371 HydrophobicContact CD1-CD 3.79Å; F333-K371 HydrophobicContact CD1-CG 3.71Å; F333-K371 HydrophobicContact CD2-CB 3.9Å; F333-K371 HydrophobicContact CD2-CG 4.39Å; F333-K371 HydrophobicContact CE1-CB 4.07Å; F333-K371 HydrophobicContact CE1-CD 4.22Å; F333-K371 HydrophobicContact CE1-CG 3.64Å; F333-K371 HydrophobicContact CE2-CB 3.82Å; F333-K371 HydrophobicContact CE2-CG 4.33Å; F333-K371 HydrophobicContact CG-CB 4.05Å; F333-K371 HydrophobicContact CG-CD 4.09Å; F333-K371 HydrophobicContact CG-CG 4.1Å; F333-K371 HydrophobicContact CZ-CB 3.89Å; F333-K371 HydrophobicContact CZ-CG 3.94Å | ||
| 334 | H | 70.8 | Confident | 80.9 | Confident | 63 Ų | 63 | 55.6 Ų | 55.6 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | trans | -124.3 | 138.2 | 174.1 | -73.7 | -82.4 | 0 | 0 | 0 | 112.3 | E332 T611 | E332-H334 PolarHBondContact O-CD2 3.19Å; E332-H334 PolarHBondContact O-N 2.86Å; H334-T611 PolarHBondContact CE1-OG1 2.65Å; H334-T611 WeakPolarHBondContact NE2-CB 3.31Å; H334-T611 WeakPolarHBondContact NE2-CG2 3.36Å; H334-T611 PolarHBondContact NE2-OG1 3.35Å | ||
| 335 | G | 76.7 | Confident | 81.2 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | trans | 85.3 | -146.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | F333 S337 M604 | F333-G335 WeakPolarHBondContact CE1-O 3.48Å; G335-S337 VanDerWaalsContact C-N 3.25Å; G335-S337 PolarHBondContact O-N 2.94Å; G335-M604 VanDerWaalsContact CA-CE 3.49Å | ||
| 336 | R | 82.6 | Confident | 81.7 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | trans | 55.7 | 28.9 | 178 | -53.1 | -61.6 | -163.6 | -176.6 | 5.1 | 115.6 | F333 D338 V339 L340 S363 V368 K598 V599 | F333-R336 HydrophobicContact CZ-CB 3.97Å; F333-R336 HydrophobicContact CZ-CG 4.23Å; R336-D338 WeakPolarHBondContact CA-OD1 3.42Å; R336-D338 PolarHBondContact O-N 3.09Å; R336-V339 PolarHBondContact O-N 3.08Å; R336-L340 VanDerWaalsContact O-CG 3.3Å; R336-L340 WeakPolarHBondContact O-CG 3.48Å; R336-L340 PolarHBondContact O-N 3.11Å; R336-S363 PolarHBondContact NH2-O 3.26Å; R336-V368 HydrophobicContact CB-CG2 4.29Å; R336-V368 HydrophobicContact CG-CG2 4Å; R336-K598 VanDerWaalsContact CZ-O 3.31Å; R336-K598 PolarHBondContact NH1-O 2.71Å; R336-K598 PolarHBondContact NH2-O 2.78Å; R336-V599 PolarHBondContact NH1-O 2.79Å; R336-V599 PolarHBondContact NH2-O 3Å | ||
| 337 | S | 79.9 | Confident | 81.9 | Confident | 90 Ų | 90 | 58.1 Ų | 58.1 | 63% | 0.629 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.1 | -31 | 179.9 | 46.8 | 0 | 0 | 0 | 0 | 113.1 | G335 E341 | G335-S337 VanDerWaalsContact C-N 3.25Å; G335-S337 PolarHBondContact O-N 2.94Å; S337-E341 WeakPolarHBondContact O-CB 3.18Å; S337-E341 PolarHBondContact O-N 3.01Å |
| 338 | D | 83.3 | Confident | 82.1 | Confident | 96 Ų | 96 | 57 Ų | 57 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.2 | -54.7 | 170.7 | 58.9 | -40.9 | 0 | 0 | 0 | 112.3 | R336 E341 V342 | R336-D338 WeakPolarHBondContact CA-OD1 3.42Å; R336-D338 PolarHBondContact O-N 3.09Å; D338-E341 PolarHBondContact O-N 2.84Å; D338-V342 PolarHBondContact O-N 2.81Å |
| 339 | V | 86.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | R336 E341 V342 V343 L357 V368 I595 V597 | R336-V339 PolarHBondContact O-N 3.08Å; V339-E341 VanDerWaalsContact C-N 3.32Å; V339-E341 PolarHBondContact O-N 2.93Å; V339-V342 PolarHBondContact O-N 3.3Å; V339-V343 WeakPolarHBondContact O-CG2 3.46Å; V339-V343 PolarHBondContact O-N 2.92Å; V339-V343 VanDerWaalsContact O-N 3.14Å; V339-L357 HydrophobicContact CG1-CD2 3.78Å; V339-V368 HydrophobicContact CG1-CG1 3.88Å; V339-I595 HydrophobicContact CB-CD1 4.39Å; V339-I595 HydrophobicContact CG1-CD1 4.3Å; V339-I595 HydrophobicContact CG1-CG2 4.16Å; V339-I595 HydrophobicContact CG2-CD1 4.2Å; V339-V597 HydrophobicContact CG1-CG2 4.46Å |
| 340 | L | 88.4 | Confident | 82.3 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.6 | -66.9 | 175.1 | 0 | 0 | 0 | 112 | F333 R336 K344 K371 L372 W379 | F333-L340 HydrophobicContact CE1-CD1 4.07Å; F333-L340 HydrophobicContact CZ-CD1 4.33Å; R336-L340 VanDerWaalsContact O-CG 3.3Å; R336-L340 WeakPolarHBondContact O-CG 3.48Å; R336-L340 PolarHBondContact O-N 3.11Å; L340-K344 VanDerWaalsContact O-CB 3.3Å; L340-K344 WeakPolarHBondContact O-CB 3.12Å; L340-K344 PolarHBondContact O-N 3.15Å; L340-K371 HydrophobicContact CD1-CG 4.29Å; L340-K371 HydrophobicContact CD2-CB 4.46Å; L340-K371 HydrophobicContact CD2-CG 4.17Å; L340-L372 HydrophobicContact CD2-CD2 3.51Å; L340-L372 HydrophobicContact CD2-CG 3.83Å; L340-W379 HydrophobicContact CB-CH2 4.4Å; L340-W379 WeakPolarHBondContact O-CH2 3.41Å |
| 341 | E | 86.8 | Confident | 82.2 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.7 | -40 | 179.8 | -161.4 | -173.1 | 149.5 | 0 | 0 | 112.4 | S337 D338 V339 K344 R345 | S337-E341 WeakPolarHBondContact O-CB 3.18Å; S337-E341 PolarHBondContact O-N 3.01Å; D338-E341 PolarHBondContact O-N 2.84Å; V339-E341 VanDerWaalsContact C-N 3.32Å; V339-E341 PolarHBondContact O-N 2.93Å; E341-K344 WeakPolarHBondContact O-CB 3.15Å; E341-K344 PolarHBondContact O-N 3.4Å; E341-R345 WeakPolarHBondContact O-CG 3.38Å; E341-R345 PolarHBondContact O-N 3.32Å; E341-R345 IonicContact OE1-CZ 2.74Å; E341-R345 IonicContact OE1-NE 3.34Å; E341-R345 PolarHBondContact OE1-NE 2.76Å; E341-R345 IonicContact OE1-NH2 3.16Å; E341-R345 PolarHBondContact OE1-NH2 2.97Å |
| 342 | V | 87.4 | Confident | 82.8 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | D338 V339 K344 R345 Y346 F355 I595 | D338-V342 PolarHBondContact O-N 2.81Å; V339-V342 PolarHBondContact O-N 3.3Å; V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 2.89Å; V342-R345 WeakPolarHBondContact O-CB 3.13Å; V342-R345 PolarHBondContact O-N 2.83Å; V342-Y346 PolarHBondContact O-N 2.71Å; V342-F355 HydrophobicContact CG1-CE2 4.15Å; V342-F355 HydrophobicContact CG1-CZ 3.97Å; V342-I595 HydrophobicContact CB-CD1 3.92Å; V342-I595 HydrophobicContact CG1-CD1 4.14Å; V342-I595 HydrophobicContact CG2-CD1 3.95Å |
| 343 | V | 88.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 176.5 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | V339 R345 Y346 I347 F355 L372 | V339-V343 WeakPolarHBondContact O-CG2 3.46Å; V339-V343 PolarHBondContact O-N 2.92Å; V339-V343 VanDerWaalsContact O-N 3.14Å; V343-R345 VanDerWaalsContact C-N 3.35Å; V343-R345 PolarHBondContact O-N 3.37Å; V343-Y346 PolarHBondContact O-N 2.8Å; V343-I347 HydrophobicContact CG1-CD1 3.9Å; V343-I347 HydrophobicContact CG1-CG1 4.24Å; V343-I347 WeakPolarHBondContact O-CG1 3.45Å; V343-I347 PolarHBondContact O-N 2.83Å; V343-F355 HydrophobicContact CG2-CD1 4.14Å; V343-F355 HydrophobicContact CG2-CE1 3.56Å; V343-F355 HydrophobicContact CG2-CZ 3.91Å; V343-L372 HydrophobicContact CB-CD1 4.33Å; V343-L372 HydrophobicContact CB-CD2 3.65Å; V343-L372 HydrophobicContact CG1-CD1 4.06Å; V343-L372 HydrophobicContact CG1-CD2 3.62Å; V343-L372 HydrophobicContact CG1-CG 4.44Å; V343-L372 HydrophobicContact CG2-CD1 4.07Å; V343-L372 HydrophobicContact CG2-CD2 4.2Å |
| 344 | K | 89.4 | Confident | 84.4 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58 | -46.4 | 171.2 | -179.2 | 173 | -179.8 | 174.1 | 0 | 111.4 | L340 E341 V342 Y346 I347 Q348 W379 E382 | L340-K344 VanDerWaalsContact O-CB 3.3Å; L340-K344 WeakPolarHBondContact O-CB 3.12Å; L340-K344 PolarHBondContact O-N 3.15Å; E341-K344 WeakPolarHBondContact O-CB 3.15Å; E341-K344 PolarHBondContact O-N 3.4Å; V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 2.89Å; K344-Y346 VanDerWaalsContact C-N 3.35Å; K344-Y346 PolarHBondContact O-N 2.78Å; K344-I347 PolarHBondContact O-N 2.72Å; K344-Q348 VanDerWaalsContact CE-CD 3.48Å; K344-Q348 VanDerWaalsContact CE-NE2 3.31Å; K344-Q348 HydrophobicContact CG-CG 4.31Å; K344-Q348 WeakPolarHBondContact O-CB 3.34Å; K344-Q348 WeakPolarHBondContact O-CG 3.32Å; K344-Q348 PolarHBondContact O-N 2.98Å; K344-W379 HydrophobicContact CB-CD2 3.89Å; K344-W379 HydrophobicContact CB-CE3 3.64Å; K344-W379 HydrophobicContact CB-CH2 3.9Å; K344-W379 HydrophobicContact CB-CZ2 4.16Å; K344-W379 HydrophobicContact CB-CZ3 3.65Å; K344-W379 HydrophobicContact CD-CD2 3.8Å; K344-W379 HydrophobicContact CD-CE3 4.43Å; K344-W379 HydrophobicContact CD-CG 3.82Å; K344-W379 HydrophobicContact CD-CZ2 4.41Å; K344-W379 HydrophobicContact CG-CB 4.29Å; K344-W379 HydrophobicContact CG-CD2 3.63Å; K344-W379 HydrophobicContact CG-CE3 3.79Å; K344-W379 HydrophobicContact CG-CG 3.87Å; K344-W379 HydrophobicContact CG-CZ3 4.31Å; K344-E382 WeakPolarHBondContact CE-OE2 3.44Å; K344-E382 IonicContact NZ-OE1 3.27Å; K344-E382 PolarHBondContact NZ-OE1 3.17Å; K344-E382 IonicContact NZ-OE2 2.91Å; K344-E382 PolarHBondContact NZ-OE2 3.34Å |
| 345 | R | 86.7 | Confident | 85.4 | Confident | 157 Ų | 157 | 46.9 Ų | 46.9 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 176.1 | -65.7 | 169.1 | -169.3 | -178.2 | 3.8 | 111.7 | E341 V342 V343 G349 | E341-R345 WeakPolarHBondContact O-CG 3.38Å; E341-R345 PolarHBondContact O-N 3.32Å; E341-R345 IonicContact OE1-CZ 2.74Å; E341-R345 IonicContact OE1-NE 3.34Å; E341-R345 PolarHBondContact OE1-NE 2.76Å; E341-R345 IonicContact OE1-NH2 3.16Å; E341-R345 PolarHBondContact OE1-NH2 2.97Å; V342-R345 WeakPolarHBondContact O-CB 3.13Å; V342-R345 PolarHBondContact O-N 2.83Å; V343-R345 VanDerWaalsContact C-N 3.35Å; V343-R345 PolarHBondContact O-N 3.37Å; R345-G349 PolarHBondContact O-N 3.17Å |
| 346 | Y | 89.7 | Confident | 86.1 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 174.3 | 165.5 | -98.5 | 0 | 0 | 0 | 113.2 | V342 V343 K344 D353 F355 K542 L543 I544 | V342-Y346 PolarHBondContact O-N 2.71Å; V343-Y346 PolarHBondContact O-N 2.8Å; K344-Y346 VanDerWaalsContact C-N 3.35Å; K344-Y346 PolarHBondContact O-N 2.78Å; Y346-D353 VanDerWaalsContact CE2-O 3.3Å; Y346-D353 WeakPolarHBondContact CE2-O 3.25Å; Y346-D353 PolarHBondContact OH-O 3.26Å; Y346-F355 HydrophobicContact CD1-CB 3.76Å; Y346-F355 HydrophobicContact CD1-CD2 4.06Å; Y346-F355 HydrophobicContact CD1-CG 4.08Å; Y346-F355 HydrophobicContact CD2-CB 4.09Å; Y346-F355 AromaticContact CD2-CD2 3.78Å; Y346-F355 HydrophobicContact CD2-CD2 3.78Å; Y346-F355 HydrophobicContact CD2-CG 4.37Å; Y346-F355 HydrophobicContact CE1-CB 3.62Å; Y346-F355 HydrophobicContact CE1-CG 4.43Å; Y346-F355 HydrophobicContact CE2-CB 3.95Å; Y346-F355 HydrophobicContact CE2-CD2 4.44Å; Y346-F355 HydrophobicContact CG-CB 4.01Å; Y346-F355 AromaticContact CG-CD2 3.57Å; Y346-F355 HydrophobicContact CG-CD2 3.57Å; Y346-F355 HydrophobicContact CG-CE2 4.41Å; Y346-F355 HydrophobicContact CG-CG 4.06Å; Y346-K542 HydrophobicContact CE1-CB 4.06Å; Y346-K542 HydrophobicContact CE1-CD 3.86Å; Y346-K542 HydrophobicContact CE1-CG 4.4Å; Y346-K542 HydrophobicContact CE2-CD 4.44Å; Y346-K542 PolarHBondContact O-NZ 2.86Å; Y346-L543 PolarHBondContact OH-O 3.24Å; Y346-I544 HydrophobicContact CD1-CG1 4.4Å; Y346-I544 HydrophobicContact CE1-CD1 4.14Å; Y346-I544 HydrophobicContact CE1-CG1 3.98Å |
| 347 | I | 87.6 | Confident | 86.5 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.5 | -36.4 | 179.6 | -68.9 | 177 | 0 | 0 | 0 | 111.2 | V343 K344 A376 W379 I380 L512 F514 I544 | V343-I347 HydrophobicContact CG1-CD1 3.9Å; V343-I347 HydrophobicContact CG1-CG1 4.24Å; V343-I347 WeakPolarHBondContact O-CG1 3.45Å; V343-I347 PolarHBondContact O-N 2.83Å; K344-I347 PolarHBondContact O-N 2.72Å; I347-A376 HydrophobicContact CD1-CB 3.73Å; I347-W379 HydrophobicContact CD1-CE3 4.28Å; I347-W379 HydrophobicContact CD1-CZ3 4.26Å; I347-I380 HydrophobicContact CG2-CD1 4.36Å; I347-I380 HydrophobicContact CG2-CG1 4.27Å; I347-L512 HydrophobicContact CG2-CD1 4.38Å; I347-L512 HydrophobicContact CG2-CD2 4.16Å; I347-F514 HydrophobicContact CD1-CZ 4.13Å; I347-I544 HydrophobicContact CD1-CD1 4.45Å |
| 348 | Q | 85.9 | Confident | 87.1 | Confident | 66 Ų | 66 | 41.9 Ų | 41.9 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -84.4 | -15.6 | 179.3 | -65.3 | -174.8 | -41.9 | 0 | 0 | 114.3 | K344 W379 E382 I383 | K344-Q348 VanDerWaalsContact CE-CD 3.48Å; K344-Q348 VanDerWaalsContact CE-NE2 3.31Å; K344-Q348 HydrophobicContact CG-CG 4.31Å; K344-Q348 WeakPolarHBondContact O-CB 3.34Å; K344-Q348 WeakPolarHBondContact O-CG 3.32Å; K344-Q348 PolarHBondContact O-N 2.98Å; Q348-W379 HydrophobicContact CG-CB 4.47Å; Q348-W379 PolarHBondContact NE2-O 2.79Å; Q348-E382 PolarHBondContact NE2-OE2 2.74Å; Q348-I383 HydrophobicContact CB-CD1 4.1Å; Q348-I383 HydrophobicContact CG-CD1 4.01Å |
| 349 | G | 82.1 | Confident | 87.2 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 34% | 0.34 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -94.9 | 172.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R345 S351 K542 | R345-G349 PolarHBondContact O-N 3.17Å; G349-S351 PolarHBondContact O-N 3.38Å; G349-K542 PolarHBondContact O-NZ 3.32Å |
| 350 | D | 78.8 | Confident | 87.1 | Confident | 125 Ų | 125 | 42.9 Ų | 42.9 | 67% | 0.668 | 22% | 0.216 | S | C | * | . | trans | -84.4 | 1.2 | -173.1 | -69.1 | -80.1 | 0 | 0 | 0 | 115.9 | T352 R539 | D350-T352 PolarHBondContact O-N 3.07Å; D350-R539 IonicContact OD1-NE 2.77Å; D350-R539 IonicContact OD1-NH2 2.73Å; D350-R539 PolarHBondContact OD1-NH2 3.33Å; D350-R539 VanDerWaalsContact OD1-NH2 3.11Å | ||
| 351 | S | 81.3 | Confident | 86.7 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | trans | -56.8 | 136.1 | 176.4 | 171 | 0 | 0 | 0 | 0 | 112.1 | G349 D353 K542 N593 | G349-S351 PolarHBondContact O-N 3.38Å; S351-D353 PolarHBondContact OG-OD2 3.44Å; S351-K542 PolarHBondContact O-NZ 3.2Å; S351-N593 PolarHBondContact OG-ND2 2.98Å; S351-N593 PolarHBondContact OG-OD1 3.28Å | ||
| 352 | T | 83.5 | Confident | 86.3 | Confident | 41 Ų | 41 | 39 Ų | 39 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | trans | -114.4 | 8.3 | -178.2 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | D350 P536 L537 | D350-T352 PolarHBondContact O-N 3.07Å; T352-P536 VanDerWaalsContact OG1-CB 3.3Å; T352-P536 WeakPolarHBondContact OG1-CB 3.45Å; T352-L537 WeakPolarHBondContact O-CB 3.44Å; T352-L537 WeakPolarHBondContact O-CD1 3.28Å; T352-L537 WeakPolarHBondContact O-CG 3.39Å; T352-L537 PolarHBondContact O-N 2.97Å | ||
| 353 | D | 86.1 | Confident | 86.1 | Confident | 43 Ų | 43 | 36.8 Ų | 36.8 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -88.9 | 159.5 | 176.6 | -34.4 | -74 | 0 | 0 | 0 | 110.2 | Y346 S351 N593 | Y346-D353 VanDerWaalsContact CE2-O 3.3Å; Y346-D353 WeakPolarHBondContact CE2-O 3.25Å; Y346-D353 PolarHBondContact OH-O 3.26Å; S351-D353 PolarHBondContact OG-OD2 3.44Å; D353-N593 PolarHBondContact OD2-ND2 2.64Å |
| 354 | P | 89.4 | Confident | 85.8 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 146.5 | 171.7 | 29.4 | -35.6 | 0 | 0 | 0 | 111.6 | I533 V535 L543 F562 | P354-I533 HydrophobicContact CG-CG2 4.32Å; P354-V535 HydrophobicContact CG-CG2 4.41Å; P354-L543 WeakPolarHBondContact CA-O 3.38Å; P354-L543 HydrophobicContact CB-CB 4.49Å; P354-L543 HydrophobicContact CB-CD2 4.42Å; P354-L543 HydrophobicContact CB-CG 4.42Å; P354-F562 HydrophobicContact CG-CD1 4.43Å; P354-F562 HydrophobicContact CG-CD2 3.98Å; P354-F562 HydrophobicContact CG-CE2 4.09Å; P354-F562 HydrophobicContact CG-CG 4.18Å; P354-F562 HydrophobicContact CG-CZ 4.37Å |
| 355 | F | 92.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 133.5 | 175 | -169.5 | -80.3 | 0 | 0 | 0 | 111.1 | V342 V343 Y346 L357 L543 I544 I545 N593 I595 | V342-F355 HydrophobicContact CG1-CE2 4.15Å; V342-F355 HydrophobicContact CG1-CZ 3.97Å; V343-F355 HydrophobicContact CG2-CD1 4.14Å; V343-F355 HydrophobicContact CG2-CE1 3.56Å; V343-F355 HydrophobicContact CG2-CZ 3.91Å; Y346-F355 HydrophobicContact CD1-CB 3.76Å; Y346-F355 HydrophobicContact CD1-CD2 4.06Å; Y346-F355 HydrophobicContact CD1-CG 4.08Å; Y346-F355 HydrophobicContact CD2-CB 4.09Å; Y346-F355 AromaticContact CD2-CD2 3.78Å; Y346-F355 HydrophobicContact CD2-CD2 3.78Å; Y346-F355 HydrophobicContact CD2-CG 4.37Å; Y346-F355 HydrophobicContact CE1-CB 3.62Å; Y346-F355 HydrophobicContact CE1-CG 4.43Å; Y346-F355 HydrophobicContact CE2-CB 3.95Å; Y346-F355 HydrophobicContact CE2-CD2 4.44Å; Y346-F355 HydrophobicContact CG-CB 4.01Å; Y346-F355 AromaticContact CG-CD2 3.57Å; Y346-F355 HydrophobicContact CG-CD2 3.57Å; Y346-F355 HydrophobicContact CG-CE2 4.41Å; Y346-F355 HydrophobicContact CG-CG 4.06Å; F355-L357 HydrophobicContact CD1-CG 4.5Å; F355-L357 HydrophobicContact CE1-CG 4.28Å; F355-L543 PolarHBondContact N-O 3.11Å; F355-I544 HydrophobicContact CB-CG1 4.35Å; F355-I544 HydrophobicContact CD1-CG2 4.26Å; F355-I544 WeakPolarHBondContact O-CA 3.14Å; F355-I545 PolarHBondContact O-N 3.02Å; F355-N593 WeakPolarHBondContact CA-O 3.17Å; F355-N593 HydrophobicContact CD2-CB 4.12Å; F355-N593 WeakPolarHBondContact CD2-O 3.28Å; F355-N593 WeakPolarHBondContact CG-O 3.48Å; F355-I595 HydrophobicContact CE1-CB 4.39Å; F355-I595 HydrophobicContact CE1-CG2 3.57Å; F355-I595 HydrophobicContact CZ-CB 4.11Å; F355-I595 HydrophobicContact CZ-CG2 3.73Å |
| 356 | V | 92 | Very high | 85.8 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.9 | -169.9 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | I545 T547 L555 F558 N593 F594 I595 | V356-I545 WeakPolarHBondContact CA-O 3.38Å; V356-T547 HydrophobicContact CG1-CG2 4.14Å; V356-L555 HydrophobicContact CG1-CD1 4.21Å; V356-F558 HydrophobicContact CG1-CD2 4.4Å; V356-F558 HydrophobicContact CG1-CG 4.45Å; V356-F558 HydrophobicContact CG2-CB 4.31Å; V356-F558 HydrophobicContact CG2-CD1 3.56Å; V356-F558 HydrophobicContact CG2-CD2 4.47Å; V356-F558 HydrophobicContact CG2-CE1 3.98Å; V356-F558 HydrophobicContact CG2-CG 3.88Å; V356-N593 PolarHBondContact N-O 3.07Å; V356-F594 HydrophobicContact CB-CD1 3.7Å; V356-F594 HydrophobicContact CB-CE1 3.86Å; V356-F594 HydrophobicContact CB-CG 4.36Å; V356-F594 HydrophobicContact CG1-CD1 4.1Å; V356-F594 HydrophobicContact CG1-CE1 4.2Å; V356-F594 HydrophobicContact CG2-CD1 4.2Å; V356-F594 HydrophobicContact CG2-CE1 3.86Å; V356-F594 HydrophobicContact CG2-CZ 4.25Å; V356-F594 WeakPolarHBondContact O-CA 3.15Å; V356-I595 PolarHBondContact O-N 3.09Å |
| 357 | L | 91.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 110.2 | 172.8 | -78.3 | 157.2 | 0 | 0 | 0 | 110.2 | V339 F355 V368 M369 L372 I544 I545 S546 T547 I595 V597 | V339-L357 HydrophobicContact CG1-CD2 3.78Å; F355-L357 HydrophobicContact CD1-CG 4.5Å; F355-L357 HydrophobicContact CE1-CG 4.28Å; L357-V368 HydrophobicContact CD2-CG1 4.49Å; L357-M369 HydrophobicContact CD1-CE 3.91Å; L357-M369 HydrophobicContact CD1-CG 4.15Å; L357-M369 HydrophobicContact CD1-SD 3.72Å; L357-L372 HydrophobicContact CD1-CD1 3.83Å; L357-I544 HydrophobicContact CD1-CG2 3.75Å; L357-I545 PolarHBondContact N-O 3.25Å; L357-S546 CarbonylContact O-C 3.59Å; L357-S546 WeakPolarHBondContact O-CA 2.98Å; L357-S546 WeakPolarHBondContact O-CB 3.33Å; L357-T547 PolarHBondContact O-N 2.86Å; L357-I595 HydrophobicContact CD2-CG2 3.46Å; L357-I595 VanDerWaalsContact CD2-CG2 3.46Å; L357-I595 HydrophobicContact CG-CG2 4.28Å; L357-V597 HydrophobicContact CD2-CG2 3.72Å |
| 358 | Y | 91.7 | Very high | 85.7 | Confident | 39 Ų | 39 | 30.3 Ų | 30.3 | 15% | 0.153 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 177.8 | 179.1 | 70.5 | -79.1 | 0 | 0 | 0 | 112.2 | T547 P549 L555 F594 I595 E596 V597 | Y358-T547 WeakPolarHBondContact CA-O 3.33Å; Y358-P549 HydrophobicContact CD2-CB 4.44Å; Y358-L555 HydrophobicContact CD1-CD1 4.24Å; Y358-L555 HydrophobicContact CD2-CD2 3.66Å; Y358-L555 HydrophobicContact CE2-CD2 4.18Å; Y358-L555 HydrophobicContact CG-CD1 4.07Å; Y358-L555 HydrophobicContact CG-CD2 3.95Å; Y358-F594 HydrophobicContact CE1-CB 4.09Å; Y358-I595 VanDerWaalsContact CD1-O 3.29Å; Y358-I595 WeakPolarHBondContact CD1-O 3.49Å; Y358-I595 PolarHBondContact N-O 3.16Å; Y358-E596 HydrophobicContact CD2-CB 4.35Å; Y358-E596 HydrophobicContact CD2-CG 4.23Å; Y358-E596 HydrophobicContact CE1-CB 4.3Å; Y358-E596 HydrophobicContact CE2-CB 3.88Å; Y358-E596 HydrophobicContact CE2-CG 4.02Å; Y358-E596 CarbonylContact O-C 3.32Å; Y358-E596 WeakPolarHBondContact O-CA 3.35Å; Y358-V597 PolarHBondContact O-N 3.21Å |
| 359 | G | 85.7 | Confident | 86 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | 134.9 | 172 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K365 L548 P549 | G359-K365 PolarHBondContact O-NZ 2.81Å; G359-L548 WeakPolarHBondContact O-CD2 3.43Å; G359-P549 WeakPolarHBondContact O-CD 3.46Å | ||
| 360 | Q | 83 | Confident | 86.3 | Confident | 117 Ų | 117 | 25.6 Ų | 25.6 | 55% | 0.547 | 15% | 0.147 | S | C | . | . | trans | -63.1 | 163.9 | -169.3 | -60.9 | -174.6 | 5 | 0 | 0 | 114.7 | G362 S363 K365 | Q360-G362 PolarHBondContact O-N 3.5Å; Q360-S363 PolarHBondContact O-N 2.69Å; Q360-S363 PolarHBondContact O-OG 3.34Å; Q360-K365 PolarHBondContact O-NZ 2.86Å | ||
| 361 | S | 81.7 | Confident | 86.8 | Confident | 30 Ų | 30 | 22.4 Ų | 22.4 | 21% | 0.21 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 125.4 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 362 | G | 78.3 | Confident | 87.3 | Confident | 14 Ų | 14 | 20.7 Ų | 20.7 | 14% | 0.144 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | Q360 G364 T638 L639 | Q360-G362 PolarHBondContact O-N 3.5Å; G362-G364 VanDerWaalsContact C-N 3.27Å; G362-G364 PolarHBondContact O-N 3.24Å; G362-T638 WeakPolarHBondContact O-CA 3.23Å; G362-T638 WeakPolarHBondContact O-CB 3.38Å; G362-T638 PolarHBondContact O-N 2.93Å; G362-L639 PolarHBondContact O-N 2.88Å |
| 363 | S | 82.2 | Confident | 87.5 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -77.5 | -2.1 | 177.6 | 72.2 | 0 | 0 | 0 | 0 | 115.7 | R336 Q360 V597 T638 | R336-S363 PolarHBondContact NH2-O 3.26Å; Q360-S363 PolarHBondContact O-N 2.69Å; Q360-S363 PolarHBondContact O-OG 3.34Å; S363-V597 WeakPolarHBondContact CB-O 3.39Å; S363-V597 PolarHBondContact OG-O 3.28Å; S363-T638 PolarHBondContact O-OG1 3.38Å |
| 364 | G | 82.2 | Confident | 87.6 | Confident | 15 Ų | 15 | 20.7 Ų | 20.7 | 16% | 0.155 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 98.2 | 11.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G362 T366 S367 V368 | G362-G364 VanDerWaalsContact C-N 3.27Å; G362-G364 PolarHBondContact O-N 3.24Å; G364-T366 VanDerWaalsContact C-N 3.32Å; G364-T366 PolarHBondContact O-N 3.34Å; G364-S367 PolarHBondContact O-N 3.31Å; G364-S367 VanDerWaalsContact O-N 3.08Å; G364-V368 PolarHBondContact O-N 2.95Å; G364-V368 VanDerWaalsContact O-N 3.08Å |
| 365 | K | 88.9 | Confident | 87.5 | Confident | 16 Ų | 16 | 21.8 Ų | 21.8 | 7% | 0.07 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -45.5 | -50.5 | 177.8 | -69.8 | -169.5 | -62.9 | -71.1 | 0 | 113.7 | G359 Q360 S367 V368 M369 T547 V597 | G359-K365 PolarHBondContact O-NZ 2.81Å; Q360-K365 PolarHBondContact O-NZ 2.86Å; K365-S367 PolarHBondContact O-N 2.75Å; K365-V368 WeakPolarHBondContact O-CA 2.93Å; K365-V368 WeakPolarHBondContact O-CB 3.5Å; K365-V368 PolarHBondContact O-N 2.87Å; K365-V368 VanDerWaalsContact O-N 3.12Å; K365-M369 PolarHBondContact O-N 3.28Å; K365-T547 WeakPolarHBondContact CE-O 3.46Å; K365-V597 HydrophobicContact CG-CB 3.89Å; K365-V597 HydrophobicContact CG-CG1 4.38Å; K365-V597 HydrophobicContact CG-CG2 3.98Å |
| 366 | T | 88.1 | Confident | 87.2 | Confident | 22 Ų | 22 | 21.8 Ų | 21.8 | 14% | 0.135 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.2 | -44.5 | 178.8 | -53 | 0 | 0 | 0 | 0 | 113.1 | F329 G364 V368 M369 A370 F439 D516 Y789 | F329-T366 HydrophobicContact CD1-CG2 4.37Å; F329-T366 HydrophobicContact CD2-CG2 3.61Å; F329-T366 HydrophobicContact CE1-CG2 4.1Å; F329-T366 HydrophobicContact CE2-CG2 3.3Å; F329-T366 HydrophobicContact CG-CG2 4.16Å; F329-T366 HydrophobicContact CZ-CG2 3.58Å; G364-T366 VanDerWaalsContact C-N 3.32Å; G364-T366 PolarHBondContact O-N 3.34Å; T366-V368 VanDerWaalsContact C-N 3.34Å; T366-M369 WeakPolarHBondContact O-CB 3.48Å; T366-M369 PolarHBondContact O-N 3.29Å; T366-A370 PolarHBondContact O-N 2.61Å; T366-F439 HydrophobicContact CG2-CD1 3.69Å; T366-F439 HydrophobicContact CG2-CE1 3.66Å; T366-D516 VanDerWaalsContact CA-OD2 3.23Å; T366-D516 WeakPolarHBondContact CA-OD2 3.31Å; T366-D516 WeakPolarHBondContact CB-OD2 3.37Å; T366-D516 WeakPolarHBondContact CG2-OD2 3.49Å; T366-D516 PolarHBondContact OG1-OD2 3.07Å; T366-Y789 WeakPolarHBondContact CG2-OH 3.07Å; T366-Y789 PolarHBondContact OG1-OH 3.45Å |
| 367 | S | 86.9 | Confident | 86.8 | Confident | 30 Ų | 30 | 26.4 Ų | 26.4 | 21% | 0.21 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.5 | -33.8 | 178.6 | -43.2 | 0 | 0 | 0 | 0 | 111.9 | F333 G364 K365 K371 | F333-S367 VanDerWaalsContact CD2-O 3.28Å; F333-S367 WeakPolarHBondContact CD2-O 3.24Å; F333-S367 WeakPolarHBondContact CE2-O 3.24Å; G364-S367 PolarHBondContact O-N 3.31Å; G364-S367 VanDerWaalsContact O-N 3.08Å; K365-S367 PolarHBondContact O-N 2.75Å; S367-K371 WeakPolarHBondContact O-CB 3.44Å; S367-K371 PolarHBondContact O-N 3.43Å |
| 368 | V | 88.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 170.8 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | F333 R336 V339 L357 G364 K365 T366 A370 K371 L372 V597 | F333-V368 HydrophobicContact CE2-CB 4.47Å; F333-V368 HydrophobicContact CE2-CG2 3.97Å; F333-V368 HydrophobicContact CZ-CG2 4.32Å; R336-V368 HydrophobicContact CB-CG2 4.29Å; R336-V368 HydrophobicContact CG-CG2 4Å; V339-V368 HydrophobicContact CG1-CG1 3.88Å; L357-V368 HydrophobicContact CD2-CG1 4.49Å; G364-V368 PolarHBondContact O-N 2.95Å; G364-V368 VanDerWaalsContact O-N 3.08Å; K365-V368 WeakPolarHBondContact O-CA 2.93Å; K365-V368 WeakPolarHBondContact O-CB 3.5Å; K365-V368 PolarHBondContact O-N 2.87Å; K365-V368 VanDerWaalsContact O-N 3.12Å; T366-V368 VanDerWaalsContact C-N 3.34Å; V368-A370 PolarHBondContact O-N 2.85Å; V368-K371 PolarHBondContact O-N 2.82Å; V368-L372 HydrophobicContact CG1-CD1 3.8Å; V368-L372 HydrophobicContact CG1-CG 4.19Å; V368-L372 WeakPolarHBondContact O-CB 3.43Å; V368-L372 WeakPolarHBondContact O-CG 3.47Å; V368-L372 PolarHBondContact O-N 3.42Å; V368-V597 HydrophobicContact CG2-CG1 4.39Å |
| 369 | M | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 175.3 | -83 | -68.2 | -148 | 0 | 0 | 112.9 | L357 K365 T366 L372 A373 F514 F515 D516 I544 S546 | L357-M369 HydrophobicContact CD1-CE 3.91Å; L357-M369 HydrophobicContact CD1-CG 4.15Å; L357-M369 HydrophobicContact CD1-SD 3.72Å; K365-M369 PolarHBondContact O-N 3.28Å; T366-M369 WeakPolarHBondContact O-CB 3.48Å; T366-M369 PolarHBondContact O-N 3.29Å; M369-L372 PolarHBondContact O-N 2.77Å; M369-A373 PolarHBondContact O-N 2.87Å; M369-A373 VanDerWaalsContact O-N 3.08Å; M369-F514 HydrophobicContact SD-CB 4.21Å; M369-F514 HydrophobicContact SD-CD1 3.87Å; M369-F515 WeakPolarHBondContact CE-O 3.26Å; M369-D516 HydrophobicContact CB-CB 4.15Å; M369-D516 HydrophobicContact CG-CB 3.98Å; M369-D516 WeakPolarHBondContact CG-OD1 3.39Å; M369-I544 HydrophobicContact CE-CB 4.48Å; M369-I544 HydrophobicContact CE-CG2 3.84Å; M369-I544 HydrophobicContact SD-CG2 3.96Å; M369-S546 VanDerWaalsContact CE-N 3.34Å |
| 370 | A | 89.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.8 | -50.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F329 I330 T366 V368 L372 A373 V374 F439 | F329-A370 HydrophobicContact CB-CB 3.72Å; F329-A370 HydrophobicContact CD2-CB 4.41Å; I330-A370 HydrophobicContact CD1-CB 4.34Å; I330-A370 WeakPolarHBondContact CD1-O 3.39Å; I330-A370 HydrophobicContact CG1-CB 3.98Å; T366-A370 PolarHBondContact O-N 2.61Å; V368-A370 PolarHBondContact O-N 2.85Å; A370-L372 PolarHBondContact O-N 2.93Å; A370-A373 PolarHBondContact O-N 3.36Å; A370-V374 PolarHBondContact O-N 3.09Å; A370-F439 HydrophobicContact CB-CE1 4.39Å; A370-F439 HydrophobicContact CB-CZ 3.96Å |
| 371 | K | 89.2 | Confident | 85.2 | Confident | 58 Ų | 58 | 26.9 Ų | 26.9 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 179.7 | -170.6 | 66.3 | 172.9 | -176.6 | 0 | 112.3 | F333 L340 S367 V368 V374 T375 | F333-K371 HydrophobicContact CB-CD 4.49Å; F333-K371 HydrophobicContact CD1-CB 4.14Å; F333-K371 HydrophobicContact CD1-CD 3.79Å; F333-K371 HydrophobicContact CD1-CG 3.71Å; F333-K371 HydrophobicContact CD2-CB 3.9Å; F333-K371 HydrophobicContact CD2-CG 4.39Å; F333-K371 HydrophobicContact CE1-CB 4.07Å; F333-K371 HydrophobicContact CE1-CD 4.22Å; F333-K371 HydrophobicContact CE1-CG 3.64Å; F333-K371 HydrophobicContact CE2-CB 3.82Å; F333-K371 HydrophobicContact CE2-CG 4.33Å; F333-K371 HydrophobicContact CG-CB 4.05Å; F333-K371 HydrophobicContact CG-CD 4.09Å; F333-K371 HydrophobicContact CG-CG 4.1Å; F333-K371 HydrophobicContact CZ-CB 3.89Å; F333-K371 HydrophobicContact CZ-CG 3.94Å; L340-K371 HydrophobicContact CD1-CG 4.29Å; L340-K371 HydrophobicContact CD2-CB 4.46Å; L340-K371 HydrophobicContact CD2-CG 4.17Å; S367-K371 WeakPolarHBondContact O-CB 3.44Å; S367-K371 PolarHBondContact O-N 3.43Å; V368-K371 PolarHBondContact O-N 2.82Å; K371-V374 PolarHBondContact O-N 2.8Å; K371-T375 HydrophobicContact CD-CG2 4.38Å; K371-T375 HydrophobicContact CG-CG2 4.43Å; K371-T375 PolarHBondContact O-N 2.83Å; K371-T375 PolarHBondContact O-OG1 3.34Å; K371-T375 VanDerWaalsContact O-OG1 3.14Å |
| 372 | L | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | 178.3 | -76.9 | 170.2 | 0 | 0 | 0 | 112.1 | L340 V343 L357 V368 M369 A370 V374 T375 A376 W379 F514 | L340-L372 HydrophobicContact CD2-CD2 3.51Å; L340-L372 HydrophobicContact CD2-CG 3.83Å; V343-L372 HydrophobicContact CB-CD1 4.33Å; V343-L372 HydrophobicContact CB-CD2 3.65Å; V343-L372 HydrophobicContact CG1-CD1 4.06Å; V343-L372 HydrophobicContact CG1-CD2 3.62Å; V343-L372 HydrophobicContact CG1-CG 4.44Å; V343-L372 HydrophobicContact CG2-CD1 4.07Å; V343-L372 HydrophobicContact CG2-CD2 4.2Å; L357-L372 HydrophobicContact CD1-CD1 3.83Å; V368-L372 HydrophobicContact CG1-CD1 3.8Å; V368-L372 HydrophobicContact CG1-CG 4.19Å; V368-L372 WeakPolarHBondContact O-CB 3.43Å; V368-L372 WeakPolarHBondContact O-CG 3.47Å; V368-L372 PolarHBondContact O-N 3.42Å; M369-L372 PolarHBondContact O-N 2.77Å; A370-L372 PolarHBondContact O-N 2.93Å; L372-V374 VanDerWaalsContact C-N 3.25Å; L372-V374 PolarHBondContact O-N 2.88Å; L372-T375 PolarHBondContact O-N 3.37Å; L372-T375 PolarHBondContact O-OG1 3Å; L372-A376 WeakPolarHBondContact O-CB 3.11Å; L372-A376 PolarHBondContact O-N 2.87Å; L372-W379 HydrophobicContact CD2-CH2 3.76Å; L372-W379 HydrophobicContact CD2-CZ3 3.95Å; L372-F514 HydrophobicContact CB-CD1 4.31Å; L372-F514 HydrophobicContact CB-CE1 3.74Å; L372-F514 HydrophobicContact CB-CZ 4.39Å |
| 373 | A | 89.1 | Confident | 84.3 | Confident | 8 Ų | 8 | 32 Ų | 32 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.7 | -34.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | M369 A370 V435 I437 F514 | M369-A373 PolarHBondContact O-N 2.87Å; M369-A373 VanDerWaalsContact O-N 3.08Å; A370-A373 PolarHBondContact O-N 3.36Å; A373-V435 HydrophobicContact CB-CG1 4.16Å; A373-I437 HydrophobicContact CB-CB 4.12Å; A373-I437 HydrophobicContact CB-CD1 3.8Å; A373-I437 HydrophobicContact CB-CG1 4.48Å; A373-F514 HydrophobicContact CB-CD2 3.79Å; A373-F514 HydrophobicContact CB-CE2 4.01Å; A373-F514 HydrophobicContact CB-CG 4.14Å |
| 374 | V | 87.4 | Confident | 83.2 | Confident | 76 Ų | 76 | 33.7 Ų | 33.7 | 46% | 0.461 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -77.3 | -42.3 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 112.5 | I330 A370 K371 L372 | I330-V374 HydrophobicContact CD1-CB 3.86Å; I330-V374 HydrophobicContact CD1-CG2 3.36Å; A370-V374 PolarHBondContact O-N 3.09Å; K371-V374 PolarHBondContact O-N 2.8Å; L372-V374 VanDerWaalsContact C-N 3.25Å; L372-V374 PolarHBondContact O-N 2.88Å |
| 375 | T | 86.6 | Confident | 81.8 | Confident | 27 Ų | 27 | 36.9 Ų | 36.9 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -77.6 | -26.3 | -178.1 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | K371 L372 R377 D378 W379 | K371-T375 HydrophobicContact CD-CG2 4.38Å; K371-T375 HydrophobicContact CG-CG2 4.43Å; K371-T375 PolarHBondContact O-N 2.83Å; K371-T375 PolarHBondContact O-OG1 3.34Å; K371-T375 VanDerWaalsContact O-OG1 3.14Å; L372-T375 PolarHBondContact O-N 3.37Å; L372-T375 PolarHBondContact O-OG1 3Å; T375-R377 VanDerWaalsContact C-N 3.26Å; T375-R377 PolarHBondContact O-N 3.47Å; T375-D378 PolarHBondContact O-N 2.78Å; T375-W379 PolarHBondContact O-N 3.39Å; T375-W379 WeakPolarHBondContact OG1-CH2 3.35Å; T375-W379 WeakPolarHBondContact OG1-CZ2 3.48Å |
| 376 | A | 87 | Confident | 80 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -25.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I347 L372 D378 W379 L512 F514 | I347-A376 HydrophobicContact CD1-CB 3.73Å; L372-A376 WeakPolarHBondContact O-CB 3.11Å; L372-A376 PolarHBondContact O-N 2.87Å; A376-D378 VanDerWaalsContact C-N 3.29Å; A376-D378 PolarHBondContact O-N 2.9Å; A376-W379 HydrophobicContact CB-CE3 4.06Å; A376-W379 HydrophobicContact CB-CZ3 4.4Å; A376-W379 PolarHBondContact O-N 2.68Å; A376-L512 HydrophobicContact CB-CD1 3.59Å; A376-F514 HydrophobicContact CB-CZ 4.02Å |
| 377 | R | 83.1 | Confident | 77.9 | Confident | 99 Ų | 99 | 43.8 Ų | 43.8 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -35.2 | 175.7 | -167 | 175.5 | -173.9 | 176.6 | 2.3 | 112 | T375 N381 I430 V433 | T375-R377 VanDerWaalsContact C-N 3.26Å; T375-R377 PolarHBondContact O-N 3.47Å; R377-N381 PolarHBondContact O-ND2 3.4Å; R377-I430 PolarHBondContact NH2-O 2.9Å; R377-V433 HydrophobicContact CG-CB 4.28Å; R377-V433 HydrophobicContact CG-CG1 4.38Å |
| 378 | D | 83.8 | Confident | 75.6 | Confident | 100 Ų | 100 | 48.5 Ų | 48.5 | 54% | 0.535 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -75 | -35.5 | 178.4 | -66.8 | -32.9 | 0 | 0 | 0 | 112.1 | T375 A376 I380 N381 E382 | T375-D378 PolarHBondContact O-N 2.78Å; A376-D378 VanDerWaalsContact C-N 3.29Å; A376-D378 PolarHBondContact O-N 2.9Å; D378-I380 VanDerWaalsContact C-N 3.25Å; D378-I380 PolarHBondContact O-N 2.82Å; D378-N381 WeakPolarHBondContact O-CB 3.47Å; D378-N381 PolarHBondContact O-N 2.85Å; D378-E382 PolarHBondContact O-N 3.06Å |
| 379 | W | 83.9 | Confident | 73 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.7 | -27.3 | 180 | -58.1 | -19.4 | 0 | 0 | 0 | 113.6 | L340 K344 I347 Q348 L372 T375 A376 | L340-W379 HydrophobicContact CB-CH2 4.4Å; L340-W379 WeakPolarHBondContact O-CH2 3.41Å; K344-W379 HydrophobicContact CB-CD2 3.89Å; K344-W379 HydrophobicContact CB-CE3 3.64Å; K344-W379 HydrophobicContact CB-CH2 3.9Å; K344-W379 HydrophobicContact CB-CZ2 4.16Å; K344-W379 HydrophobicContact CB-CZ3 3.65Å; K344-W379 HydrophobicContact CD-CD2 3.8Å; K344-W379 HydrophobicContact CD-CE3 4.43Å; K344-W379 HydrophobicContact CD-CG 3.82Å; K344-W379 HydrophobicContact CD-CZ2 4.41Å; K344-W379 HydrophobicContact CG-CB 4.29Å; K344-W379 HydrophobicContact CG-CD2 3.63Å; K344-W379 HydrophobicContact CG-CE3 3.79Å; K344-W379 HydrophobicContact CG-CG 3.87Å; K344-W379 HydrophobicContact CG-CZ3 4.31Å; I347-W379 HydrophobicContact CD1-CE3 4.28Å; I347-W379 HydrophobicContact CD1-CZ3 4.26Å; Q348-W379 HydrophobicContact CG-CB 4.47Å; Q348-W379 PolarHBondContact NE2-O 2.79Å; L372-W379 HydrophobicContact CD2-CH2 3.76Å; L372-W379 HydrophobicContact CD2-CZ3 3.95Å; T375-W379 PolarHBondContact O-N 3.39Å; T375-W379 WeakPolarHBondContact OG1-CH2 3.35Å; T375-W379 WeakPolarHBondContact OG1-CZ2 3.48Å; A376-W379 HydrophobicContact CB-CE3 4.06Å; A376-W379 HydrophobicContact CB-CZ3 4.4Å; A376-W379 PolarHBondContact O-N 2.68Å |
| 380 | I | 79.4 | Confident | 70.1 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -78.2 | -34.1 | 173.1 | -65.6 | 171.7 | 0 | 0 | 0 | 111 | I347 D378 E382 I383 S384 V433 H510 L512 | I347-I380 HydrophobicContact CG2-CD1 4.36Å; I347-I380 HydrophobicContact CG2-CG1 4.27Å; D378-I380 VanDerWaalsContact C-N 3.25Å; D378-I380 PolarHBondContact O-N 2.82Å; I380-E382 VanDerWaalsContact C-N 3.27Å; I380-E382 PolarHBondContact O-N 3.04Å; I380-I383 PolarHBondContact O-N 2.8Å; I380-S384 PolarHBondContact O-N 3.13Å; I380-V433 HydrophobicContact CB-CG2 4.07Å; I380-V433 HydrophobicContact CD1-CG1 3.87Å; I380-V433 HydrophobicContact CD1-CG2 4.16Å; I380-V433 HydrophobicContact CG2-CG2 3.75Å; I380-H510 HydrophobicContact CD1-CB 3.88Å; I380-L512 HydrophobicContact CD1-CD1 3.9Å; I380-L512 HydrophobicContact CD1-CD2 4.15Å; I380-L512 HydrophobicContact CD1-CG 4.22Å |
| 381 | N | 71.4 | Confident | 67.3 | Low | 27 Ų | 27 | 68.8 Ų | 68.8 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -33.8 | 175.7 | -70.8 | -42.8 | 0 | 0 | 0 | 112.1 | R377 D378 I383 S384 N385 | R377-N381 PolarHBondContact O-ND2 3.4Å; D378-N381 WeakPolarHBondContact O-CB 3.47Å; D378-N381 PolarHBondContact O-N 2.85Å; N381-I383 VanDerWaalsContact C-N 3.33Å; N381-I383 PolarHBondContact O-N 3.1Å; N381-S384 PolarHBondContact O-N 3.44Å; N381-S384 PolarHBondContact O-OG 2.99Å; N381-N385 PolarHBondContact O-N 3.24Å; N381-N385 VanDerWaalsContact O-N 3.17Å; N381-N385 PolarHBondContact O-ND2 2.78Å; N381-N385 VanDerWaalsContact O-ND2 3.11Å |
| 382 | E | 74.8 | Confident | 64.4 | Low | 89 Ų | 89 | 70.7 Ų | 70.7 | 42% | 0.416 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.1 | -46.8 | 173.4 | -66.3 | 173.4 | -166.5 | 0 | 0 | 112.1 | K344 Q348 D378 I380 N385 S386 | K344-E382 WeakPolarHBondContact CE-OE2 3.44Å; K344-E382 IonicContact NZ-OE1 3.27Å; K344-E382 PolarHBondContact NZ-OE1 3.17Å; K344-E382 IonicContact NZ-OE2 2.91Å; K344-E382 PolarHBondContact NZ-OE2 3.34Å; Q348-E382 PolarHBondContact NE2-OE2 2.74Å; D378-E382 PolarHBondContact O-N 3.06Å; I380-E382 VanDerWaalsContact C-N 3.27Å; I380-E382 PolarHBondContact O-N 3.04Å; E382-N385 PolarHBondContact O-N 3.39Å; E382-S386 PolarHBondContact O-N 3.26Å |
| 383 | I | 67.3 | Low | 61.3 | Low | 63 Ų | 63 | 79.1 Ų | 79.1 | 32% | 0.323 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 178 | -57.4 | 171.7 | 0 | 0 | 0 | 110.4 | Q348 I380 N381 N385 S386 I387 | Q348-I383 HydrophobicContact CB-CD1 4.1Å; Q348-I383 HydrophobicContact CG-CD1 4.01Å; I380-I383 PolarHBondContact O-N 2.8Å; N381-I383 VanDerWaalsContact C-N 3.33Å; N381-I383 PolarHBondContact O-N 3.1Å; I383-N385 PolarHBondContact O-N 3.19Å; I383-N385 VanDerWaalsContact O-N 3.16Å; I383-S386 PolarHBondContact O-N 3.13Å; I383-S386 PolarHBondContact O-OG 2.81Å; I383-S386 VanDerWaalsContact O-OG 3.07Å; I383-I387 HydrophobicContact CG2-CD1 4.13Å; I383-I387 WeakPolarHBondContact O-CD1 3.39Å; I383-I387 WeakPolarHBondContact O-CG1 3.23Å; I383-I387 PolarHBondContact O-N 2.85Å |
| 384 | S | 57.8 | Low | 58.4 | Low | 37 Ų | 37 | 86 Ų | 86 | 26% | 0.259 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.9 | -23.2 | -179.7 | 82.5 | 0 | 0 | 0 | 0 | 114 | I380 N381 | I380-S384 PolarHBondContact O-N 3.13Å; N381-S384 PolarHBondContact O-N 3.44Å; N381-S384 PolarHBondContact O-OG 2.99Å |
| 385 | N | 53.7 | Low | 55.4 | Low | 81 Ų | 81 | 91 Ų | 91 | 43% | 0.433 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -96 | -33.3 | -177.9 | -73 | -41 | 0 | 0 | 0 | 113 | N381 E382 I383 I387 K388 | N381-N385 PolarHBondContact O-N 3.24Å; N381-N385 VanDerWaalsContact O-N 3.17Å; N381-N385 PolarHBondContact O-ND2 2.78Å; N381-N385 VanDerWaalsContact O-ND2 3.11Å; E382-N385 PolarHBondContact O-N 3.39Å; I383-N385 PolarHBondContact O-N 3.19Å; I383-N385 VanDerWaalsContact O-N 3.16Å; N385-I387 VanDerWaalsContact C-N 3.31Å; N385-I387 PolarHBondContact O-N 3.16Å; N385-K388 PolarHBondContact O-N 3.15Å; N385-K388 PolarHBondContact OD1-NZ 2.87Å |
| 386 | S | 50.7 | Low | 52.4 | Low | 72 Ų | 72 | 99.1 Ų | 99.1 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 175.1 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | E382 I383 K388 H389 | E382-S386 PolarHBondContact O-N 3.26Å; I383-S386 PolarHBondContact O-N 3.13Å; I383-S386 PolarHBondContact O-OG 2.81Å; I383-S386 VanDerWaalsContact O-OG 3.07Å; S386-K388 PolarHBondContact O-N 2.96Å; S386-H389 PolarHBondContact O-N 3.13Å; S386-H389 VanDerWaalsContact O-N 3.13Å |
| 387 | I | 44.4 | Very low | 49.4 | Very low | 112 Ų | 112 | 110.6 Ų | 110.6 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -57.6 | -30.8 | 176.4 | -66.4 | 167.5 | 0 | 0 | 0 | 112.2 | I383 N385 H389 T390 | I383-I387 HydrophobicContact CG2-CD1 4.13Å; I383-I387 WeakPolarHBondContact O-CD1 3.39Å; I383-I387 WeakPolarHBondContact O-CG1 3.23Å; I383-I387 PolarHBondContact O-N 2.85Å; N385-I387 VanDerWaalsContact C-N 3.31Å; N385-I387 PolarHBondContact O-N 3.16Å; I387-H389 VanDerWaalsContact C-N 3.28Å; I387-H389 PolarHBondContact O-N 2.93Å; I387-T390 PolarHBondContact O-OG1 2.86Å |
| 388 | K | 38 | Very low | 46.7 | Very low | 129 Ų | 129 | 113.5 Ų | 113.5 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -72.6 | -15.5 | -179.5 | -69.3 | 171.7 | -176.8 | 155.9 | 0 | 114.4 | N385 S386 | N385-K388 PolarHBondContact O-N 3.15Å; N385-K388 PolarHBondContact OD1-NZ 2.87Å; S386-K388 PolarHBondContact O-N 2.96Å |
| 389 | H | 34.3 | Very low | 43.7 | Very low | 174 Ų | 174 | 120 Ų | 120 | 81% | 0.806 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -99.2 | -4.8 | -177.8 | -87.3 | -82.1 | 0 | 0 | 0 | 114.6 | S386 I387 N391 | S386-H389 PolarHBondContact O-N 3.13Å; S386-H389 VanDerWaalsContact O-N 3.13Å; I387-H389 VanDerWaalsContact C-N 3.28Å; I387-H389 PolarHBondContact O-N 2.93Å; H389-N391 PolarHBondContact O-N 2.83Å |
| 390 | T | 30 | Very low | 41 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | trans | -102.6 | 74.9 | -178.1 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | I387 S392 | I387-T390 PolarHBondContact O-OG1 2.86Å; T390-S392 PolarHBondContact O-N 2.87Å | ||
| 391 | N | 31 | Very low | 38.2 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 30.6 | -175.2 | -113.7 | -17.4 | 0 | 0 | 0 | 115.5 | H389 | H389-N391 PolarHBondContact O-N 2.83Š|
| 392 | S | 28.3 | Very low | 35.8 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 0.1 | -175.5 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | T390 N394 | T390-S392 PolarHBondContact O-N 2.87Å; S392-N394 PolarHBondContact O-N 3.17Å |
| 393 | F | 25.8 | Very low | 33.4 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 77% | 0.772 | 69% | 0.693 | S | S | * | * | trans | -90.8 | 73 | 175.8 | -99.1 | -89.9 | 0 | 0 | 0 | 113 | ||||
| 394 | N | 27.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 147 Ų | 147 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -139.5 | 17.2 | 177.6 | -111.2 | -44.3 | 0 | 0 | 0 | 114.9 | S392 | S392-N394 PolarHBondContact O-N 3.17Š| ||
| 395 | Q | 25.2 | Very low | 29.5 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | -115.9 | 24.7 | -177.9 | -72.8 | -161.8 | -9.8 | 0 | 0 | 115.8 | ||||
| 396 | F | 22.5 | Very low | 28 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -123.4 | 61.8 | 168.3 | -81.2 | -76.7 | 0 | 0 | 0 | 112.6 | ||||
| 397 | R | 24.9 | Very low | 26.6 | Very low | 241 Ų | 241 | 159.8 Ų | 159.8 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -100.2 | 106.8 | 169.7 | -154.5 | 169.8 | -168.8 | 156.7 | 3.6 | 109.6 | ||||
| 398 | I | 25.2 | Very low | 25.5 | Very low | 160 Ų | 160 | 159.8 Ų | 159.8 | 82% | 0.821 | 77% | 0.774 | S | S | * | * | trans | -64.8 | 141.2 | -168.9 | -65.7 | 173.4 | 0 | 0 | 0 | 112 | S400 | I398-S400 PolarHBondContact O-N 3.22Š| ||
| 399 | R | 21.3 | Very low | 24.7 | Very low | 238 Ų | 238 | 160.9 Ų | 160.9 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 90.3 | -176.4 | -72.7 | 174.3 | 165.9 | 165.8 | -5.4 | 112.7 | K401 | R399-K401 PolarHBondContact O-N 2.79Å; R399-K401 VanDerWaalsContact O-N 3.16Å | ||
| 400 | S | 26.9 | Very low | 24.2 | Very low | 119 Ų | 119 | 161 Ų | 161 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -72.5 | 100.2 | 166.2 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | I398 | I398-S400 PolarHBondContact O-N 3.22Š| ||
| 401 | K | 20.4 | Very low | 23.7 | Very low | 187 Ų | 187 | 165.9 Ų | 165.9 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -77 | 124.7 | 165.3 | -71.4 | 174.2 | 176.9 | 173.7 | 0 | 109.3 | R399 | R399-K401 PolarHBondContact O-N 2.79Å; R399-K401 VanDerWaalsContact O-N 3.16Å | ||
| 402 | H | 22.4 | Very low | 23.3 | Very low | 163 Ų | 163 | 166.2 Ų | 166.2 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | 179.6 | 159.8 | 114 | -109.8 | -89.8 | 0 | 0 | 0 | 114.9 | |||||
| 403 | N | 24.3 | Very low | 23 | Very low | 124 Ų | 124 | 171.5 Ų | 171.5 | 66% | 0.663 | 82% | 0.815 | S | S | * | * | trans | 69.6 | 81.7 | 154.6 | -62.9 | -10.3 | 0 | 0 | 0 | 121.4 | ||||
| 404 | K | 21.6 | Very low | 22.7 | Very low | 190 Ų | 190 | 171.7 Ų | 171.7 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | 61.1 | 119.4 | 117.4 | -70.2 | -179.9 | 177 | 177.1 | 0 | 121.4 | |||||
| 405 | S | 20.7 | Very low | 22.5 | Very low | 96 Ų | 96 | 172 Ų | 172 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | trans | 62.2 | 110.5 | 138.5 | 61 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 406 | N | 22.3 | Very low | 22.4 | Very low | 145 Ų | 145 | 169.9 Ų | 169.9 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | -169.2 | 154.8 | 90 | -101.6 | -57.1 | 0 | 0 | 0 | 115.2 | |||||
| 407 | R | 21.6 | Very low | 22.4 | Very low | 218 Ų | 218 | 165.3 Ų | 165.3 | 82% | 0.823 | 81% | 0.807 | S | S | * | * | trans | 57.5 | 92.8 | 154.2 | -71.8 | -178.1 | 174.3 | 170.7 | -1.5 | 121.6 | ||||
| 408 | T | 21.4 | Very low | 22.3 | Very low | 113 Ų | 113 | 161 Ų | 161 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | 48.2 | 118.5 | 115.3 | 57.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 409 | N | 21.1 | Very low | 22.2 | Very low | 152 Ų | 152 | 161.4 Ų | 161.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | 59 | 109.4 | 136.2 | -55.8 | 24.4 | 0 | 0 | 0 | 119.4 | ||||
| 410 | L | 23.4 | Very low | 22.3 | Very low | 175 Ų | 175 | 156.2 Ų | 156.2 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | -149 | 157.5 | 124.6 | -109.8 | 164.7 | 0 | 0 | 0 | 109.4 | |||||
| 411 | E | 20.4 | Very low | 22.1 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -96.5 | 171.5 | -158.6 | -65.1 | 171.1 | 144.8 | 0 | 0 | 114.5 | ||||
| 412 | E | 21.6 | Very low | 22.2 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -44.1 | 139.3 | 179.7 | -55.9 | 167.4 | 158.1 | 0 | 0 | 115.5 | ||||
| 413 | K | 22.6 | Very low | 22.4 | Very low | 208 Ų | 208 | 154.3 Ų | 154.3 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -164.6 | 129.2 | 130.2 | -107.2 | 141.3 | -165.9 | 154.5 | 0 | 113.9 | ||||
| 414 | E | 20.7 | Very low | 22.4 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 142.2 | 159.9 | -52.5 | 173.3 | 124.8 | 0 | 0 | 109.6 | ||||
| 415 | L | 22.3 | Very low | 22.8 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | 175.8 | 107.9 | 130.5 | -97.8 | 158.8 | 0 | 0 | 0 | 113.5 | ||||
| 416 | N | 22.4 | Very low | 23.2 | Very low | 138 Ų | 138 | 156 Ų | 156 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | 27.4 | 116.7 | 142.9 | -63.3 | -18 | 0 | 0 | 0 | 122.1 | ||||
| 417 | S | 22.3 | Very low | 23.6 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | 83.2 | 150.4 | 124.6 | 75 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 418 | N | 22.9 | Very low | 24.6 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 70.4 | 76.9 | 162 | -59.4 | -13.7 | 0 | 0 | 0 | 118.7 | ||||
| 419 | L | 23.4 | Very low | 25.5 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -154.5 | 117.7 | 137.2 | -106.4 | 166.1 | 0 | 0 | 0 | 108.8 | ||||
| 420 | V | 22.7 | Very low | 26.4 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | trans | -115.2 | 113.4 | -177.2 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 421 | P | 23.7 | Very low | 27.7 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 141.7 | 168.3 | 2 | 18.2 | 0 | 0 | 0 | 111.2 | N423 | P421-N423 PolarHBondContact O-N 2.58Š|
| 422 | N | 23.3 | Very low | 29.9 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.2 | -170.5 | -57.1 | -29.8 | 0 | 0 | 0 | 114.3 | ||
| 423 | N | 25.5 | Very low | 32.8 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 89% | 0.893 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 117 | 159.3 | -81.5 | -21.9 | 0 | 0 | 0 | 108.8 | P421 | P421-N423 PolarHBondContact O-N 2.58Š|
| 424 | S | 25.7 | Very low | 35.9 | Very low | 106 Ų | 106 | 113.2 Ų | 113.2 | 74% | 0.741 | 63% | 0.634 | S | S | * | * | trans | -158 | 48.8 | -178.6 | 69.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 425 | I | 30 | Very low | 39.2 | Very low | 171 Ų | 171 | 106.6 Ų | 106.6 | 88% | 0.877 | 61% | 0.606 | S | S | * | * | trans | -136.2 | 93.5 | 149.7 | -52.1 | -179.9 | 0 | 0 | 0 | 107.8 | ||||
| 426 | L | 28.4 | Very low | 42.6 | Very low | 170 Ų | 170 | 99 Ų | 99 | 89% | 0.89 | 57% | 0.566 | S | S | * | * | trans | -112.3 | 115.4 | 166.6 | -88.1 | 162 | 0 | 0 | 0 | 107 | ||||
| 427 | S | 30.6 | Very low | 46 | Very low | 94 Ų | 94 | 93 Ų | 93 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | trans | -60.9 | 144.7 | 173.3 | 50.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 428 | N | 41.3 | Very low | 49.4 | Very low | 104 Ų | 104 | 88.3 Ų | 88.3 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | trans | -63.9 | 139.5 | -178.6 | -81.5 | -36.9 | 0 | 0 | 0 | 111.3 | I430 D431 | N428-I430 HydrophobicContact CB-CB 4.3Å; N428-I430 PolarHBondContact O-N 2.88Å; N428-I430 VanDerWaalsContact O-N 3.09Å; N428-D431 PolarHBondContact O-N 2.92Å | ||
| 429 | P | 41.3 | Very low | 52.6 | Low | 55 Ų | 55 | 81.3 Ų | 81.3 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -57.5 | -24.1 | 172.6 | -25.6 | 34.9 | 0 | 0 | 0 | 113.7 | D431 S432 | P429-D431 PolarHBondContact O-N 3.49Å; P429-D431 VanDerWaalsContact O-N 3.13Å; P429-S432 VanDerWaalsContact O-CB 3.3Å; P429-S432 WeakPolarHBondContact O-CB 3.21Å; P429-S432 PolarHBondContact O-N 2.78Å; P429-S432 VanDerWaalsContact O-N 3.14Å; P429-S432 PolarHBondContact O-OG 2.78Å |
| 430 | I | 39.2 | Very low | 55.6 | Low | 85 Ų | 85 | 73.3 Ų | 73.3 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -55 | -29.9 | 179.1 | -63.1 | 166.9 | 0 | 0 | 0 | 112 | R377 N428 S432 | R377-I430 PolarHBondContact NH2-O 2.9Å; N428-I430 HydrophobicContact CB-CB 4.3Å; N428-I430 PolarHBondContact O-N 2.88Å; N428-I430 VanDerWaalsContact O-N 3.09Å; I430-S432 PolarHBondContact O-N 3.03Å |
| 431 | D | 52.5 | Low | 58.1 | Low | 87 Ų | 87 | 67.2 Ų | 67.2 | 47% | 0.465 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -88.1 | 20.8 | -176.9 | -50.9 | -41 | 0 | 0 | 0 | 113 | N428 P429 R509 | N428-D431 PolarHBondContact O-N 2.92Å; P429-D431 PolarHBondContact O-N 3.49Å; P429-D431 VanDerWaalsContact O-N 3.13Å; D431-R509 VanDerWaalsContact O-CZ 3.3Å; D431-R509 PolarHBondContact O-NH1 3.14Å; D431-R509 VanDerWaalsContact O-NH1 3.16Å; D431-R509 PolarHBondContact O-NH2 3.39Å |
| 432 | S | 65.9 | Low | 60.7 | Low | 29 Ų | 29 | 62 Ų | 62 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -108.2 | -8.6 | -178.4 | 69 | 0 | 0 | 0 | 0 | 115.9 | P429 I430 H510 | P429-S432 VanDerWaalsContact O-CB 3.3Å; P429-S432 WeakPolarHBondContact O-CB 3.21Å; P429-S432 PolarHBondContact O-N 2.78Å; P429-S432 VanDerWaalsContact O-N 3.14Å; P429-S432 PolarHBondContact O-OG 2.78Å; I430-S432 PolarHBondContact O-N 3.03Å; S432-H510 PolarHBondContact O-N 3.09Å; S432-H510 VanDerWaalsContact O-N 3.08Å |
| 433 | V | 82.3 | Confident | 63.3 | Low | 10 Ų | 10 | 54.9 Ų | 54.9 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.6 | -177.2 | -173.5 | 0 | 0 | 0 | 0 | 110 | R377 I380 V435 H510 L512 | R377-V433 HydrophobicContact CG-CB 4.28Å; R377-V433 HydrophobicContact CG-CG1 4.38Å; I380-V433 HydrophobicContact CB-CG2 4.07Å; I380-V433 HydrophobicContact CD1-CG1 3.87Å; I380-V433 HydrophobicContact CD1-CG2 4.16Å; I380-V433 HydrophobicContact CG2-CG2 3.75Å; V433-V435 HydrophobicContact CG1-CG2 4.09Å; V433-H510 WeakPolarHBondContact CA-O 3.27Å; V433-H510 HydrophobicContact CG1-CB 4.34Å; V433-H510 HydrophobicContact CG2-CB 4.29Å; V433-L512 HydrophobicContact CG1-CD1 4.39Å |
| 434 | I | 87.7 | Confident | 65.3 | Low | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.1 | 171.2 | -61.1 | 170.7 | 0 | 0 | 0 | 107.7 | I436 N463 I467 L504 H510 V511 L512 | I434-I436 HydrophobicContact CG2-CG1 4.18Å; I434-N463 HydrophobicContact CD1-CB 3.81Å; I434-I467 HydrophobicContact CD1-CD1 4.46Å; I434-L504 HydrophobicContact CD1-CD1 4Å; I434-L504 HydrophobicContact CD1-CD2 3.6Å; I434-L504 HydrophobicContact CD1-CG 4.43Å; I434-H510 PolarHBondContact N-O 2.84Å; I434-V511 HydrophobicContact CG2-CG1 4.47Å; I434-V511 WeakPolarHBondContact O-CA 3.47Å; I434-L512 PolarHBondContact O-N 2.8Å |
| 435 | V | 90.8 | Very high | 67.9 | Low | 41 Ų | 41 | 43.2 Ų | 43.2 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.6 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | A373 V433 L512 F514 | A373-V435 HydrophobicContact CB-CG1 4.16Å; V433-V435 HydrophobicContact CG1-CG2 4.09Å; V435-L512 WeakPolarHBondContact CA-O 3.42Å; V435-L512 HydrophobicContact CG2-CB 4.45Å; V435-L512 HydrophobicContact CG2-CD1 4.32Å; V435-F514 HydrophobicContact CG1-CD2 4.1Å; V435-F514 HydrophobicContact CG1-CE2 3.96Å |
| 436 | I | 92.8 | Very high | 70.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119.5 | 173.8 | -56.2 | -175.8 | 0 | 0 | 0 | 107.5 | I434 T456 Q459 L460 L512 I513 F514 | I434-I436 HydrophobicContact CG2-CG1 4.18Å; I436-T456 HydrophobicContact CD1-CG2 3.98Å; I436-T456 HydrophobicContact CG2-CG2 4.38Å; I436-Q459 HydrophobicContact CD1-CB 4.44Å; I436-Q459 HydrophobicContact CD1-CG 4.29Å; I436-L460 HydrophobicContact CD1-CD2 3.73Å; I436-L460 HydrophobicContact CD1-CG 4.09Å; I436-L512 PolarHBondContact N-O 2.79Å; I436-I513 HydrophobicContact CB-CG1 4.46Å; I436-I513 CarbonylContact O-C 3.5Å; I436-I513 WeakPolarHBondContact O-CA 3.41Å; I436-F514 PolarHBondContact O-N 3.27Å |
| 437 | I | 93.7 | Very high | 72.8 | Confident | 10 Ų | 10 | 27.6 Ų | 27.6 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141.9 | 166.5 | -174.6 | 161.7 | 0 | 0 | 0 | 109.5 | A373 F439 F514 | A373-I437 HydrophobicContact CB-CB 4.12Å; A373-I437 HydrophobicContact CB-CD1 3.8Å; A373-I437 HydrophobicContact CB-CG1 4.48Å; I437-F439 HydrophobicContact CD1-CE1 3.94Å; I437-F439 HydrophobicContact CD1-CE2 3.86Å; I437-F439 HydrophobicContact CD1-CZ 3.41Å; I437-F439 VanDerWaalsContact CD1-CZ 3.41Å; I437-F439 HydrophobicContact CG1-CE2 4.08Å; I437-F439 HydrophobicContact CG1-CZ 4.07Å; I437-F514 WeakPolarHBondContact CA-O 3.14Å; I437-F514 HydrophobicContact CB-CB 4.28Å; I437-F514 HydrophobicContact CD1-CB 4.49Å; I437-F514 HydrophobicContact CG1-CB 4.12Å |
| 438 | R | 93.4 | Very high | 75.1 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 124.6 | 168.6 | -71.6 | -58.1 | -172.9 | -76.4 | -4.2 | 109.3 | E318 H322 L440 T446 F514 F515 D516 | E318-R438 IonicContact OE1-NE 3.22Å; E318-R438 PolarHBondContact OE1-NE 3.44Å; H322-R438 WeakPolarHBondContact CD2-CD 3.46Å; H322-R438 VanDerWaalsContact NE2-CD 3.3Å; H322-R438 WeakPolarHBondContact NE2-CD 3.48Å; R438-L440 HydrophobicContact CB-CD2 4.03Å; R438-T446 HydrophobicContact CB-CG2 3.9Å; R438-T446 HydrophobicContact CG-CG2 4.02Å; R438-F514 PolarHBondContact N-O 2.68Å; R438-F515 HydrophobicContact CB-CD1 3.9Å; R438-F515 HydrophobicContact CB-CE1 4.12Å; R438-F515 HydrophobicContact CG-CD1 4.43Å; R438-F515 HydrophobicContact CG-CE1 4.14Å; R438-D516 PolarHBondContact O-N 2.73Å |
| 439 | F | 90 | Very high | 77.2 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.9 | 164.9 | -56.3 | -80.1 | 0 | 0 | 0 | 107 | H322 H325 C326 F329 T366 A370 I437 T442 T446 D516 | H322-F439 PolarHBondContact CE1-O 2.81Å; H322-F439 AromaticContact ND1-CD2 3.78Å; H322-F439 PolarHBondContact ND1-N 2.97Å; H322-F439 VanDerWaalsContact ND1-N 3.16Å; H322-F439 WeakPolarHBondContact O-CE2 3.19Å; H325-F439 HydrophobicContact CB-CD2 3.86Å; H325-F439 HydrophobicContact CB-CE2 3.88Å; C326-F439 HydrophobicContact CB-CE2 3.98Å; C326-F439 HydrophobicContact CB-CZ 4.18Å; F329-F439 HydrophobicContact CD2-CD1 4.47Å; F329-F439 AromaticContact CD2-CE1 3.81Å; F329-F439 HydrophobicContact CD2-CE1 3.81Å; F329-F439 HydrophobicContact CD2-CE2 4.36Å; F329-F439 AromaticContact CD2-CZ 3.75Å; F329-F439 HydrophobicContact CD2-CZ 3.75Å; F329-F439 HydrophobicContact CE2-CD1 4.11Å; F329-F439 AromaticContact CE2-CE1 3.92Å; F329-F439 HydrophobicContact CE2-CE1 3.92Å; F329-F439 HydrophobicContact CE2-CE2 4.43Å; F329-F439 HydrophobicContact CE2-CG 4.45Å; F329-F439 HydrophobicContact CE2-CZ 4.09Å; T366-F439 HydrophobicContact CG2-CD1 3.69Å; T366-F439 HydrophobicContact CG2-CE1 3.66Å; A370-F439 HydrophobicContact CB-CE1 4.39Å; A370-F439 HydrophobicContact CB-CZ 3.96Å; I437-F439 HydrophobicContact CD1-CE1 3.94Å; I437-F439 HydrophobicContact CD1-CE2 3.86Å; I437-F439 HydrophobicContact CD1-CZ 3.41Å; I437-F439 VanDerWaalsContact CD1-CZ 3.41Å; I437-F439 HydrophobicContact CG1-CE2 4.08Å; I437-F439 HydrophobicContact CG1-CZ 4.07Å; F439-T442 HydrophobicContact CB-CG2 3.69Å; F439-T442 WeakPolarHBondContact CB-OG1 3.11Å; F439-T442 PolarHBondContact O-OG1 2.92Å; F439-T442 VanDerWaalsContact O-OG1 3.11Å; F439-T446 PolarHBondContact O-OG1 2.87Å; F439-D516 HydrophobicContact CD1-CB 3.83Å; F439-D516 HydrophobicContact CE1-CB 4.41Å |
| 440 | L | 87 | Confident | 79.2 | Confident | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 133.7 | -169.9 | -56 | 177.2 | 0 | 0 | 0 | 110.3 | R438 T446 T452 F515 D516 I518 Q520 L521 | R438-L440 HydrophobicContact CB-CD2 4.03Å; L440-T446 HydrophobicContact CD2-CG2 3.98Å; L440-T452 HydrophobicContact CD2-CG2 3.83Å; L440-F515 HydrophobicContact CD1-CB 4.08Å; L440-D516 VanDerWaalsContact CB-O 3.26Å; L440-D516 WeakPolarHBondContact CB-O 3.22Å; L440-D516 VanDerWaalsContact CG-O 3.27Å; L440-D516 WeakPolarHBondContact CG-O 3.39Å; L440-D516 PolarHBondContact N-O 3.4Å; L440-I518 HydrophobicContact CD1-CB 4.25Å; L440-I518 HydrophobicContact CD1-CG1 4.46Å; L440-Q520 VanDerWaalsContact O-CB 3.31Å; L440-Q520 WeakPolarHBondContact O-CB 3.27Å; L440-L521 HydrophobicContact CB-CD2 4.12Å; L440-L521 HydrophobicContact CB-CG 4.3Å; L440-L521 HydrophobicContact CD1-CD1 4.03Å; L440-L521 HydrophobicContact CD1-CD2 4.37Å; L440-L521 HydrophobicContact CD1-CG 4.05Å; L440-L521 HydrophobicContact CD2-CD2 4.29Å; L440-L521 HydrophobicContact CG-CD2 4.48Å |
| 441 | G | 75.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 28.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T446 R778 | G441-T446 PolarHBondContact N-O 2.79Å; G441-T446 PolarHBondContact N-OG1 3.47Å; G441-T446 VanDerWaalsContact N-OG1 3.12Å; G441-R778 WeakPolarHBondContact O-CG 3.3Å; G441-R778 PolarHBondContact O-NE 3.01Å; G441-R778 PolarHBondContact O-NH2 3.19Å; G441-R778 VanDerWaalsContact O-NH2 3.12Å |
| 442 | T | 77.6 | Confident | 83.2 | Confident | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -113.4 | -4.9 | 169.3 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | Q321 H322 F439 E777 Y789 | Q321-T442 PolarHBondContact NE2-O 2.81Å; H322-T442 PolarHBondContact CE1-OG1 2.91Å; F439-T442 HydrophobicContact CB-CG2 3.69Å; F439-T442 WeakPolarHBondContact CB-OG1 3.11Å; F439-T442 PolarHBondContact O-OG1 2.92Å; F439-T442 VanDerWaalsContact O-OG1 3.11Å; T442-E777 CarbonylContact C-O 3.26Å; T442-Y789 HydrophobicContact CG2-CD2 4.01Å; T442-Y789 HydrophobicContact CG2-CE2 3.5Å |
| 443 | S | 78.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -140.3 | 167.3 | 175.4 | 77.7 | 0 | 0 | 0 | 0 | 111.3 | E318 H322 G445 T446 E777 | E318-S443 PolarHBondContact OE1-OG 2.95Å; E318-S443 VanDerWaalsContact OE2-CB 3.26Å; E318-S443 WeakPolarHBondContact OE2-CB 3.42Å; E318-S443 PolarHBondContact OE2-OG 3.06Å; H322-S443 PolarHBondContact NE2-OG 3.35Å; S443-G445 PolarHBondContact O-N 2.75Å; S443-G445 PolarHBondContact OG-N 3.08Å; S443-T446 PolarHBondContact O-N 3.02Å; S443-T446 PolarHBondContact OG-N 3.31Å; S443-T446 PolarHBondContact OG-OG1 3.37Å; S443-E777 PolarHBondContact N-O 3.25Å |
| 444 | P | 68.2 | Low | 84.7 | Confident | 28 Ų | 28 | 13.7 Ų | 13.7 | 18% | 0.182 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -51.2 | -50.6 | 167.2 | -32.2 | 40.2 | 0 | 0 | 0 | 113.9 | T446 S447 E779 V784 | P444-T446 PolarHBondContact O-N 3.4Å; P444-S447 WeakPolarHBondContact O-CB 3.34Å; P444-S447 PolarHBondContact O-N 2.94Å; P444-S447 PolarHBondContact O-OG 2.8Å; P444-E779 HydrophobicContact CB-CB 3.89Å; P444-V784 HydrophobicContact CG-CG2 4.03Å |
| 445 | G | 79.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -67 | -17.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E318 S443 Q451 T452 | E318-G445 WeakPolarHBondContact OE2-CA 3.49Å; E318-G445 PolarHBondContact OE2-N 2.9Å; S443-G445 PolarHBondContact O-N 2.75Å; S443-G445 PolarHBondContact OG-N 3.08Å; G445-Q451 CarbonylContact O-C 3.57Å; G445-Q451 WeakPolarHBondContact O-CB 2.94Å; G445-T452 VanDerWaalsContact O-CA 3.28Å; G445-T452 WeakPolarHBondContact O-CA 3.28Å; G445-T452 PolarHBondContact O-N 3.28Å |
| 446 | T | 85.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -108.8 | 19.7 | 178.4 | 68.6 | 0 | 0 | 0 | 0 | 114.9 | H322 R438 F439 L440 G441 S443 P444 T452 L521 | H322-T446 WeakPolarHBondContact NE2-CG2 3.4Å; R438-T446 HydrophobicContact CB-CG2 3.9Å; R438-T446 HydrophobicContact CG-CG2 4.02Å; F439-T446 PolarHBondContact O-OG1 2.87Å; L440-T446 HydrophobicContact CD2-CG2 3.98Å; G441-T446 PolarHBondContact N-O 2.79Å; G441-T446 PolarHBondContact N-OG1 3.47Å; G441-T446 VanDerWaalsContact N-OG1 3.12Å; S443-T446 PolarHBondContact O-N 3.02Å; S443-T446 PolarHBondContact OG-N 3.31Å; S443-T446 PolarHBondContact OG-OG1 3.37Å; P444-T446 PolarHBondContact O-N 3.4Å; T446-T452 WeakPolarHBondContact CA-OG1 3.49Å; T446-L521 VanDerWaalsContact O-CD2 3.26Å; T446-L521 WeakPolarHBondContact O-CD2 3.44Å |
| 447 | S | 75.9 | Confident | 84.8 | Confident | 14 Ų | 14 | 12.3 Ų | 12.3 | 10% | 0.098 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -70.1 | -37.8 | 177.3 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | P444 E522 E779 | P444-S447 WeakPolarHBondContact O-CB 3.34Å; P444-S447 PolarHBondContact O-N 2.94Å; P444-S447 PolarHBondContact O-OG 2.8Å; S447-E522 PolarHBondContact O-N 2.88Å; S447-E779 WeakPolarHBondContact CB-O 3.29Å |
| 448 | T | 78.5 | Confident | 84.7 | Confident | 27 Ų | 27 | 12.2 Ų | 12.2 | 17% | 0.166 | 6% | 0.058 | C | C | . | . | B | Isolated β-bridge | trans | -137.6 | 153.6 | -174.8 | 60.4 | 0 | 0 | 0 | 0 | 110 | R450 Q451 T452 E522 | T448-R450 PolarHBondContact O-N 3Å; T448-Q451 PolarHBondContact O-N 3.26Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.4Å; T448-Q451 PolarHBondContact OG1-N 2.83Å; T448-T452 PolarHBondContact O-N 2.83Å; T448-T452 PolarHBondContact O-OG1 3.46Å; T448-E522 HydrophobicContact CG2-CB 4.4Å; T448-E522 HydrophobicContact CG2-CG 4.49Å |
| 449 | L | 84.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55.5 | -40.5 | 177.9 | 179.6 | 63.1 | 0 | 0 | 0 | 112.3 | T452 L453 F490 L521 A527 W532 | L449-T452 PolarHBondContact O-N 3.08Å; L449-L453 HydrophobicContact CD1-CD1 4.11Å; L449-L453 HydrophobicContact CD1-CG 4.12Å; L449-L453 HydrophobicContact CG-CD1 4.12Å; L449-L453 HydrophobicContact CG-CG 4.48Å; L449-L453 WeakPolarHBondContact O-CG 3.31Å; L449-L453 PolarHBondContact O-N 3.3Å; L449-F490 HydrophobicContact CD2-CE2 3.9Å; L449-F490 HydrophobicContact CD2-CZ 3.62Å; L449-F490 HydrophobicContact CG-CE2 4.02Å; L449-F490 HydrophobicContact CG-CZ 4.21Å; L449-L521 HydrophobicContact CB-CD1 4.35Å; L449-L521 HydrophobicContact CD1-CD1 4.38Å; L449-A527 HydrophobicContact CB-CB 4.13Å; L449-A527 HydrophobicContact CD2-CB 4.2Å; L449-W532 HydrophobicContact CD1-CD2 3.75Å; L449-W532 HydrophobicContact CD1-CE3 4.1Å; L449-W532 HydrophobicContact CD1-CG 4.19Å; L449-W532 HydrophobicContact CD1-CH2 4.33Å; L449-W532 HydrophobicContact CD1-CZ2 3.99Å; L449-W532 HydrophobicContact CD1-CZ3 4.37Å; L449-W532 HydrophobicContact CD2-CB 3.99Å; L449-W532 VanDerWaalsContact CD2-CD1 3.42Å; L449-W532 HydrophobicContact CD2-CD2 4.05Å; L449-W532 HydrophobicContact CD2-CG 3.56Å; L449-W532 HydrophobicContact CG-CG 4.48Å |
| 450 | R | 84.3 | Confident | 84.6 | Confident | 79 Ų | 79 | 13.1 Ų | 13.1 | 30% | 0.298 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 179.3 | -163.3 | 179.4 | -57.5 | -158.1 | 8.1 | 112.7 | T448 K454 D488 F490 I493 D525 | T448-R450 PolarHBondContact O-N 3Å; R450-K454 WeakPolarHBondContact O-CG 3.44Å; R450-K454 PolarHBondContact O-N 3.1Å; R450-D488 PolarHBondContact NH1-O 3.28Å; R450-F490 HydrophobicContact CB-CD2 4.36Å; R450-F490 HydrophobicContact CG-CD2 4.28Å; R450-I493 HydrophobicContact CG-CD1 3.61Å; R450-D525 WeakPolarHBondContact CB-OD2 3.35Å; R450-D525 IonicContact CZ-OD1 2.69Å; R450-D525 IonicContact CZ-OD2 3.23Å; R450-D525 VanDerWaalsContact CZ-OD2 3.24Å; R450-D525 IonicContact NE-OD2 2.96Å; R450-D525 PolarHBondContact NE-OD2 3.44Å; R450-D525 IonicContact NH2-OD1 3.99Å; R450-D525 PolarHBondContact NH2-OD1 3Å; R450-D525 IonicContact NH2-OD2 3.85Å; R450-D525 PolarHBondContact NH2-OD2 2.73Å |
| 451 | Q | 84.6 | Confident | 84.7 | Confident | 45 Ų | 45 | 13 Ų | 13 | 21% | 0.21 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 174.9 | -67.4 | -72.4 | 55.8 | 0 | 0 | 110.7 | G445 T448 L453 K454 Y455 E779 | G445-Q451 CarbonylContact O-C 3.57Å; G445-Q451 WeakPolarHBondContact O-CB 2.94Å; T448-Q451 PolarHBondContact O-N 3.26Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.4Å; T448-Q451 PolarHBondContact OG1-N 2.83Å; Q451-L453 VanDerWaalsContact C-N 3.28Å; Q451-L453 PolarHBondContact O-N 3.2Å; Q451-K454 PolarHBondContact O-N 3.12Å; Q451-K454 VanDerWaalsContact O-N 3.11Å; Q451-Y455 WeakPolarHBondContact O-CD2 3.16Å; Q451-Y455 PolarHBondContact O-N 3.14Å; Q451-E779 PolarHBondContact NE2-OE2 3.5Å |
| 452 | T | 90.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.4 | -45.6 | 179.2 | -58 | 0 | 0 | 0 | 0 | 111 | L440 G445 T446 T448 L449 T456 F515 | L440-T452 HydrophobicContact CD2-CG2 3.83Å; G445-T452 VanDerWaalsContact O-CA 3.28Å; G445-T452 WeakPolarHBondContact O-CA 3.28Å; G445-T452 PolarHBondContact O-N 3.28Å; T446-T452 WeakPolarHBondContact CA-OG1 3.49Å; T448-T452 PolarHBondContact O-N 2.83Å; T448-T452 PolarHBondContact O-OG1 3.46Å; L449-T452 PolarHBondContact O-N 3.08Å; T452-T456 VanDerWaalsContact O-CB 3.29Å; T452-T456 WeakPolarHBondContact O-CB 3.49Å; T452-T456 PolarHBondContact O-N 3.41Å; T452-T456 PolarHBondContact O-OG1 3.34Å; T452-F515 HydrophobicContact CG2-CE1 4.2Å; T452-F515 HydrophobicContact CG2-CE2 4.34Å; T452-F515 HydrophobicContact CG2-CZ 3.93Å |
| 453 | L | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.8 | -47 | 175.8 | -66.8 | 176.4 | 0 | 0 | 0 | 111.8 | L449 Q451 Y455 T456 C457 F490 I493 L494 F497 W532 | L449-L453 HydrophobicContact CD1-CD1 4.11Å; L449-L453 HydrophobicContact CD1-CG 4.12Å; L449-L453 HydrophobicContact CG-CD1 4.12Å; L449-L453 HydrophobicContact CG-CG 4.48Å; L449-L453 WeakPolarHBondContact O-CG 3.31Å; L449-L453 PolarHBondContact O-N 3.3Å; Q451-L453 VanDerWaalsContact C-N 3.28Å; Q451-L453 PolarHBondContact O-N 3.2Å; L453-Y455 PolarHBondContact O-N 3.16Å; L453-T456 PolarHBondContact O-N 2.81Å; L453-C457 WeakPolarHBondContact O-CB 3.32Å; L453-C457 PolarHBondContact O-N 3.37Å; L453-C457 PolarHBondContact O-SG 2.66Å; L453-F490 HydrophobicContact CD1-CE2 4.01Å; L453-F490 HydrophobicContact CD1-CZ 4.3Å; L453-I493 HydrophobicContact CB-CG2 3.77Å; L453-L494 HydrophobicContact CD1-CD1 3.92Å; L453-F497 HydrophobicContact CD2-CD1 3.9Å; L453-F497 HydrophobicContact CD2-CD2 4.17Å; L453-F497 HydrophobicContact CD2-CE1 4.06Å; L453-F497 HydrophobicContact CD2-CE2 4.33Å; L453-F497 HydrophobicContact CD2-CG 3.95Å; L453-F497 HydrophobicContact CD2-CZ 4.27Å; L453-W532 HydrophobicContact CD2-CZ3 4.45Å |
| 454 | K | 88.9 | Confident | 85.6 | Confident | 18 Ų | 18 | 17.3 Ų | 17.3 | 8% | 0.078 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -52.8 | -50.6 | 175.9 | -81.7 | -169.1 | 177.3 | -167.7 | 0 | 112.7 | R450 Q451 C457 R458 R485 Q487 D488 I493 | R450-K454 WeakPolarHBondContact O-CG 3.44Å; R450-K454 PolarHBondContact O-N 3.1Å; Q451-K454 PolarHBondContact O-N 3.12Å; Q451-K454 VanDerWaalsContact O-N 3.11Å; K454-C457 PolarHBondContact O-N 2.86Å; K454-R458 PolarHBondContact O-N 3.35Å; K454-R485 PolarHBondContact NZ-O 2.89Å; K454-Q487 WeakPolarHBondContact CE-O 3.02Å; K454-Q487 PolarHBondContact NZ-O 3.01Å; K454-D488 IonicContact NZ-OD1 3.31Å; K454-D488 PolarHBondContact NZ-OD1 3.07Å; K454-I493 HydrophobicContact CD-CD1 4.42Å; K454-I493 HydrophobicContact CG-CD1 3.99Å; K454-I493 HydrophobicContact CG-CG1 4.35Å; K454-I493 HydrophobicContact CG-CG2 4.37Å |
| 455 | Y | 91 | Very high | 86.2 | Confident | 25 Ų | 25 | 16.5 Ų | 16.5 | 10% | 0.098 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.7 | -34.3 | -179.9 | -82.8 | -86.9 | 0 | 0 | 0 | 112.4 | E314 L315 E318 Q451 L453 Q459 | E314-Y455 HydrophobicContact CB-CE1 4Å; L315-Y455 HydrophobicContact CD1-CD1 4.29Å; L315-Y455 WeakPolarHBondContact CD1-O 3.16Å; E318-Y455 HydrophobicContact CB-CD1 3.88Å; E318-Y455 HydrophobicContact CB-CE1 3.95Å; E318-Y455 HydrophobicContact CG-CD1 3.65Å; E318-Y455 HydrophobicContact CG-CE1 4.17Å; E318-Y455 HydrophobicContact CG-CG 4.1Å; Q451-Y455 WeakPolarHBondContact O-CD2 3.16Å; Q451-Y455 PolarHBondContact O-N 3.14Å; L453-Y455 PolarHBondContact O-N 3.16Å; Y455-Q459 PolarHBondContact O-N 3.18Å |
| 456 | T | 91.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | 174.3 | -55 | 0 | 0 | 0 | 0 | 111.2 | I436 T452 L453 Q459 L460 F497 | I436-T456 HydrophobicContact CD1-CG2 3.98Å; I436-T456 HydrophobicContact CG2-CG2 4.38Å; T452-T456 VanDerWaalsContact O-CB 3.29Å; T452-T456 WeakPolarHBondContact O-CB 3.49Å; T452-T456 PolarHBondContact O-N 3.41Å; T452-T456 PolarHBondContact O-OG1 3.34Å; L453-T456 PolarHBondContact O-N 2.81Å; T456-Q459 WeakPolarHBondContact O-CB 3.46Å; T456-Q459 PolarHBondContact O-N 2.8Å; T456-Q459 VanDerWaalsContact O-N 3.14Å; T456-L460 HydrophobicContact CG2-CD1 4.35Å; T456-L460 WeakPolarHBondContact O-CG 3.48Å; T456-L460 PolarHBondContact O-N 3.42Å; T456-F497 HydrophobicContact CG2-CD2 4.38Å; T456-F497 HydrophobicContact CG2-CE2 3.7Å |
| 457 | C | 91.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 173.9 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | L453 K454 Q459 L460 V461 I484 F497 L500 | L453-C457 WeakPolarHBondContact O-CB 3.32Å; L453-C457 PolarHBondContact O-N 3.37Å; L453-C457 PolarHBondContact O-SG 2.66Å; K454-C457 PolarHBondContact O-N 2.86Å; C457-Q459 VanDerWaalsContact C-N 3.3Å; C457-Q459 PolarHBondContact O-N 3.06Å; C457-L460 PolarHBondContact O-N 3.09Å; C457-V461 PolarHBondContact O-N 2.97Å; C457-I484 HydrophobicContact CB-CD1 4Å; C457-I484 HydrophobicContact CB-CG2 3.75Å; C457-F497 WeakPolarHBondContact SG-CA 3.11Å; C457-F497 VanDerWaalsContact SG-CB 3.54Å; C457-L500 HydrophobicContact CB-CD1 4Å |
| 458 | R | 90.9 | Very high | 85 | Confident | 8 Ų | 8 | 20.8 Ų | 20.8 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 172.5 | -79.6 | 175.6 | 67 | 175.1 | 3.3 | 111.6 | D313 E314 L315 K454 A462 P481 I484 | D313-R458 IonicContact OD1-NH2 3.59Å; D313-R458 PolarHBondContact OD1-NH2 3.03Å; E314-R458 IonicContact OE2-CZ 2.82Å; E314-R458 IonicContact OE2-NH1 2.82Å; E314-R458 PolarHBondContact OE2-NH1 2.81Å; E314-R458 IonicContact OE2-NH2 3.67Å; L315-R458 HydrophobicContact CD1-CB 3.91Å; L315-R458 HydrophobicContact CD2-CB 4.07Å; L315-R458 HydrophobicContact CG-CB 4.48Å; K454-R458 PolarHBondContact O-N 3.35Å; R458-A462 WeakPolarHBondContact O-CB 3.27Å; R458-A462 PolarHBondContact O-N 3.06Å; R458-P481 HydrophobicContact CG-CB 4.46Å; R458-I484 HydrophobicContact CG-CB 4.36Å; R458-I484 HydrophobicContact CG-CG2 4.13Å |
| 459 | Q | 90.6 | Very high | 84 | Confident | 25 Ų | 25 | 23.9 Ų | 23.9 | 12% | 0.117 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 175.2 | -167.1 | 169.7 | -9.9 | 0 | 0 | 112.6 | L315 V319 I436 Y455 T456 C457 A462 N463 | L315-Q459 HydrophobicContact CD1-CB 4.1Å; V319-Q459 HydrophobicContact CG2-CG 4.46Å; I436-Q459 HydrophobicContact CD1-CB 4.44Å; I436-Q459 HydrophobicContact CD1-CG 4.29Å; Y455-Q459 PolarHBondContact O-N 3.18Å; T456-Q459 WeakPolarHBondContact O-CB 3.46Å; T456-Q459 PolarHBondContact O-N 2.8Å; T456-Q459 VanDerWaalsContact O-N 3.14Å; C457-Q459 VanDerWaalsContact C-N 3.3Å; C457-Q459 PolarHBondContact O-N 3.06Å; Q459-A462 PolarHBondContact O-N 3.49Å; Q459-N463 PolarHBondContact O-N 3.41Å; Q459-N463 VanDerWaalsContact O-N 3.15Å; Q459-N463 PolarHBondContact O-ND2 3.08Å |
| 460 | L | 90.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 177 | -67.6 | 168.9 | 0 | 0 | 0 | 111.1 | I436 T456 C457 A462 N463 I464 F497 L500 L501 L504 V511 | I436-L460 HydrophobicContact CD1-CD2 3.73Å; I436-L460 HydrophobicContact CD1-CG 4.09Å; T456-L460 HydrophobicContact CG2-CD1 4.35Å; T456-L460 WeakPolarHBondContact O-CG 3.48Å; T456-L460 PolarHBondContact O-N 3.42Å; C457-L460 PolarHBondContact O-N 3.09Å; L460-A462 PolarHBondContact O-N 3.22Å; L460-N463 PolarHBondContact O-N 2.89Å; L460-I464 WeakPolarHBondContact O-CD1 3.39Å; L460-I464 VanDerWaalsContact O-CG1 3.31Å; L460-I464 WeakPolarHBondContact O-CG1 3.3Å; L460-I464 PolarHBondContact O-N 2.83Å; L460-F497 HydrophobicContact CD1-CD2 4.01Å; L460-F497 HydrophobicContact CD1-CE2 4.03Å; L460-L500 HydrophobicContact CB-CB 4.22Å; L460-L500 HydrophobicContact CB-CD1 4.26Å; L460-L500 HydrophobicContact CD1-CB 4.22Å; L460-L501 HydrophobicContact CD1-CD2 3.98Å; L460-L501 HydrophobicContact CD1-CG 4.21Å; L460-L501 HydrophobicContact CD2-CD2 4.16Å; L460-L504 HydrophobicContact CB-CD1 4.43Å; L460-L504 HydrophobicContact CD2-CD1 3.64Å; L460-V511 HydrophobicContact CD2-CG1 4.15Å |
| 461 | V | 88.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -44 | 174.8 | 165 | 0 | 0 | 0 | 0 | 112.2 | C457 N463 I464 N465 I479 P481 I484 L500 | C457-V461 PolarHBondContact O-N 2.97Å; V461-N463 VanDerWaalsContact C-N 3.28Å; V461-N463 PolarHBondContact O-N 3.2Å; V461-I464 PolarHBondContact O-N 3.12Å; V461-N465 WeakPolarHBondContact CG1-ND2 3.28Å; V461-N465 WeakPolarHBondContact O-CB 3.45Å; V461-N465 PolarHBondContact O-N 3.23Å; V461-I479 HydrophobicContact CG1-CB 3.95Å; V461-I479 HydrophobicContact CG1-CG2 3.96Å; V461-I479 VanDerWaalsContact CG1-O 3.24Å; V461-I479 WeakPolarHBondContact CG1-O 3.4Å; V461-I479 HydrophobicContact CG2-CB 4.32Å; V461-I479 HydrophobicContact CG2-CG2 3.76Å; V461-P481 HydrophobicContact CG1-CG 3.98Å; V461-I484 HydrophobicContact CB-CD1 4.28Å; V461-I484 HydrophobicContact CG2-CD1 3.47Å; V461-I484 VanDerWaalsContact CG2-CD1 3.47Å; V461-L500 HydrophobicContact CG2-CD1 3.83Å; V461-L500 HydrophobicContact CG2-CD2 3.56Å; V461-L500 HydrophobicContact CG2-CG 4.38Å |
| 462 | A | 84.8 | Confident | 79.2 | Confident | 42 Ų | 42 | 34.8 Ų | 34.8 | 35% | 0.347 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L315 R458 Q459 L460 S466 | L315-A462 HydrophobicContact CD2-CB 4.18Å; R458-A462 WeakPolarHBondContact O-CB 3.27Å; R458-A462 PolarHBondContact O-N 3.06Å; Q459-A462 PolarHBondContact O-N 3.49Å; L460-A462 PolarHBondContact O-N 3.22Å; A462-S466 VanDerWaalsContact O-CB 3.32Å; A462-S466 WeakPolarHBondContact O-CB 3.45Å; A462-S466 PolarHBondContact O-N 3.15Å; A462-S466 VanDerWaalsContact O-N 3.09Å |
| 463 | N | 83 | Confident | 77 | Confident | 51 Ų | 51 | 37.2 Ų | 37.2 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 173.8 | -77.2 | -84.8 | 0 | 0 | 0 | 112.1 | I434 Q459 L460 V461 S466 I467 | I434-N463 HydrophobicContact CD1-CB 3.81Å; Q459-N463 PolarHBondContact O-N 3.41Å; Q459-N463 VanDerWaalsContact O-N 3.15Å; Q459-N463 PolarHBondContact O-ND2 3.08Å; L460-N463 PolarHBondContact O-N 2.89Å; V461-N463 VanDerWaalsContact C-N 3.28Å; V461-N463 PolarHBondContact O-N 3.2Å; N463-S466 PolarHBondContact O-N 3.24Å; N463-I467 WeakPolarHBondContact O-CD1 3.47Å; N463-I467 VanDerWaalsContact O-CG1 3.28Å; N463-I467 WeakPolarHBondContact O-CG1 3.17Å; N463-I467 PolarHBondContact O-N 3.36Å |
| 464 | I | 83 | Confident | 75 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 179.3 | -71.2 | 159.5 | 0 | 0 | 0 | 111 | L460 V461 S466 I467 G468 F476 I479 L500 L504 M507 | L460-I464 WeakPolarHBondContact O-CD1 3.39Å; L460-I464 VanDerWaalsContact O-CG1 3.31Å; L460-I464 WeakPolarHBondContact O-CG1 3.3Å; L460-I464 PolarHBondContact O-N 2.83Å; V461-I464 PolarHBondContact O-N 3.12Å; I464-S466 PolarHBondContact O-N 3.18Å; I464-I467 PolarHBondContact O-N 2.98Å; I464-G468 PolarHBondContact O-N 3.02Å; I464-F476 HydrophobicContact CG2-CE2 4.22Å; I464-F476 HydrophobicContact CG2-CZ 3.92Å; I464-F476 WeakPolarHBondContact O-CZ 2.96Å; I464-I479 HydrophobicContact CG2-CD1 4.4Å; I464-L500 HydrophobicContact CD1-CB 4.19Å; I464-L500 HydrophobicContact CD1-CD2 3.56Å; I464-L500 HydrophobicContact CD1-CG 4.47Å; I464-L504 HydrophobicContact CD1-CD1 3.99Å; I464-L504 HydrophobicContact CD1-CD2 4.49Å; I464-L504 HydrophobicContact CD1-CG 3.94Å; I464-L504 HydrophobicContact CG1-CD1 4.02Å; I464-L504 HydrophobicContact CG1-CD2 3.73Å; I464-L504 HydrophobicContact CG1-CG 3.73Å; I464-M507 HydrophobicContact CG1-CE 4.11Å; I464-M507 HydrophobicContact CG2-CE 4.25Å |
| 465 | N | 81.1 | Confident | 72.9 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.3 | -73.3 | -22 | 0 | 0 | 0 | 112.5 | V461 G468 S469 F478 I479 | V461-N465 WeakPolarHBondContact CG1-ND2 3.28Å; V461-N465 WeakPolarHBondContact O-CB 3.45Å; V461-N465 PolarHBondContact O-N 3.23Å; N465-G468 PolarHBondContact O-N 3.04Å; N465-S469 PolarHBondContact O-N 3.14Å; N465-F478 HydrophobicContact CB-CD2 3.95Å; N465-F478 HydrophobicContact CB-CE2 3.65Å; N465-F478 HydrophobicContact CB-CZ 4.17Å; N465-F478 WeakPolarHBondContact ND2-CE1 3.06Å; N465-F478 WeakPolarHBondContact ND2-CZ 3.18Å; N465-I479 PolarHBondContact ND2-O 3.2Å; N465-I479 PolarHBondContact OD1-N 3.24Å |
| 466 | S | 76.9 | Confident | 70.9 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | A462 N463 I464 G468 S469 | A462-S466 VanDerWaalsContact O-CB 3.32Å; A462-S466 WeakPolarHBondContact O-CB 3.45Å; A462-S466 PolarHBondContact O-N 3.15Å; A462-S466 VanDerWaalsContact O-N 3.09Å; N463-S466 PolarHBondContact O-N 3.24Å; I464-S466 PolarHBondContact O-N 3.18Å; S466-G468 PolarHBondContact O-N 3.39Å; S466-S469 PolarHBondContact O-N 2.95Å; S466-S469 PolarHBondContact O-OG 3.3Å |
| 467 | I | 72.3 | Confident | 69.2 | Low | 31 Ų | 31 | 57.7 Ų | 57.7 | 16% | 0.159 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 176.2 | -67.4 | 163.2 | 0 | 0 | 0 | 110.9 | I434 N463 I464 S469 M470 S471 L504 M507 R509 | I434-I467 HydrophobicContact CD1-CD1 4.46Å; N463-I467 WeakPolarHBondContact O-CD1 3.47Å; N463-I467 VanDerWaalsContact O-CG1 3.28Å; N463-I467 WeakPolarHBondContact O-CG1 3.17Å; N463-I467 PolarHBondContact O-N 3.36Å; I464-I467 PolarHBondContact O-N 2.98Å; I467-S469 VanDerWaalsContact C-N 3.27Å; I467-S469 PolarHBondContact O-N 2.9Å; I467-M470 WeakPolarHBondContact O-CB 3.45Å; I467-M470 PolarHBondContact O-N 3.01Å; I467-S471 PolarHBondContact O-N 3.45Å; I467-L504 HydrophobicContact CD1-CD2 4.23Å; I467-M507 HydrophobicContact CG2-SD 4.28Å; I467-R509 HydrophobicContact CD1-CG 4.23Å |
| 468 | G | 65.9 | Low | 68 | Low | 5 Ų | 5 | 64.7 Ų | 64.7 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I464 N465 S466 M470 S471 | I464-G468 PolarHBondContact O-N 3.02Å; N465-G468 PolarHBondContact O-N 3.04Å; S466-G468 PolarHBondContact O-N 3.39Å; G468-M470 PolarHBondContact O-N 2.72Å; G468-S471 WeakPolarHBondContact CA-OG 3.12Å; G468-S471 PolarHBondContact O-N 3.2Å; G468-S471 VanDerWaalsContact O-O 3.05Å; G468-S471 PolarHBondContact O-OG 3.43Å |
| 469 | S | 58.9 | Low | 67.3 | Low | 91 Ų | 91 | 66.7 Ų | 66.7 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.4 | -18.2 | 176.3 | 78.9 | 0 | 0 | 0 | 0 | 114.5 | N465 S466 I467 | N465-S469 PolarHBondContact O-N 3.14Å; S466-S469 PolarHBondContact O-N 2.95Å; S466-S469 PolarHBondContact O-OG 3.3Å; I467-S469 VanDerWaalsContact C-N 3.27Å; I467-S469 PolarHBondContact O-N 2.9Å |
| 470 | M | 55.1 | Low | 66.4 | Low | 137 Ų | 137 | 69.5 Ų | 69.5 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -90.9 | -22.4 | 176.2 | -60.4 | -177.9 | 74.3 | 0 | 0 | 112.7 | I467 G468 | I467-M470 WeakPolarHBondContact O-CB 3.45Å; I467-M470 PolarHBondContact O-N 3.01Å; G468-M470 PolarHBondContact O-N 2.72Å |
| 471 | S | 51.4 | Low | 65.4 | Low | 52 Ų | 52 | 71.2 Ų | 71.2 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -86.2 | 110.2 | 171 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | I467 G468 S473 | I467-S471 PolarHBondContact O-N 3.45Å; G468-S471 WeakPolarHBondContact CA-OG 3.12Å; G468-S471 PolarHBondContact O-N 3.2Å; G468-S471 VanDerWaalsContact O-O 3.05Å; G468-S471 PolarHBondContact O-OG 3.43Å; S471-S473 PolarHBondContact O-N 3.15Å |
| 472 | N | 45.2 | Very low | 64.6 | Low | 165 Ų | 165 | 75.5 Ų | 75.5 | 88% | 0.882 | 43% | 0.426 | S | S | * | . | trans | -71.4 | 54.5 | 172.1 | -70.9 | -9.4 | 0 | 0 | 0 | 112.2 | ||||
| 473 | S | 45.4 | Very low | 64 | Low | 52 Ų | 52 | 77.7 Ų | 77.7 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | trans | -106.9 | 114.6 | 173.4 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | S471 T475 F476 | S471-S473 PolarHBondContact O-N 3.15Å; S473-T475 PolarHBondContact O-N 3.19Å; S473-F476 PolarHBondContact O-N 3.18Å | ||
| 474 | D | 47.8 | Very low | 63.7 | Low | 177 Ų | 177 | 75.5 Ų | 75.5 | 95% | 0.947 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 1.5 | -179.6 | -57.7 | -52 | 0 | 0 | 0 | 114.4 | ||
| 475 | T | 46.3 | Very low | 63 | Low | 127 Ų | 127 | 80 Ų | 80 | 78% | 0.779 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 0.1 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | S473 T477 | S473-T475 PolarHBondContact O-N 3.19Å; T475-T477 PolarHBondContact O-N 3.44Å |
| 476 | F | 48.9 | Very low | 62.4 | Low | 60 Ų | 60 | 83.1 Ų | 83.1 | 26% | 0.263 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 119 | 178.8 | -175.8 | -89.9 | 0 | 0 | 0 | 111.8 | I464 S473 | I464-F476 HydrophobicContact CG2-CE2 4.22Å; I464-F476 HydrophobicContact CG2-CZ 3.92Å; I464-F476 WeakPolarHBondContact O-CZ 2.96Å; S473-F476 PolarHBondContact O-N 3.18Å |
| 477 | T | 55.3 | Low | 61.8 | Low | 110 Ų | 110 | 81.6 Ų | 81.6 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -89.3 | 118.7 | 175 | 39.3 | 0 | 0 | 0 | 0 | 110.8 | T475 | T475-T477 PolarHBondContact O-N 3.44Š|
| 478 | F | 66.9 | Low | 61.4 | Low | 147 Ų | 147 | 85.5 Ų | 85.5 | 65% | 0.645 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 128 | 174.6 | -171 | -81.6 | 0 | 0 | 0 | 110.2 | N465 | N465-F478 HydrophobicContact CB-CD2 3.95Å; N465-F478 HydrophobicContact CB-CE2 3.65Å; N465-F478 HydrophobicContact CB-CZ 4.17Å; N465-F478 WeakPolarHBondContact ND2-CE1 3.06Å; N465-F478 WeakPolarHBondContact ND2-CZ 3.18Å |
| 479 | I | 74.9 | Confident | 61.6 | Low | 50 Ų | 50 | 89.9 Ų | 89.9 | 26% | 0.256 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 121.9 | 179.5 | -58.3 | 171.2 | 0 | 0 | 0 | 108.5 | V461 I464 N465 P481 L500 | V461-I479 HydrophobicContact CG1-CB 3.95Å; V461-I479 HydrophobicContact CG1-CG2 3.96Å; V461-I479 VanDerWaalsContact CG1-O 3.24Å; V461-I479 WeakPolarHBondContact CG1-O 3.4Å; V461-I479 HydrophobicContact CG2-CB 4.32Å; V461-I479 HydrophobicContact CG2-CG2 3.76Å; I464-I479 HydrophobicContact CG2-CD1 4.4Å; N465-I479 PolarHBondContact ND2-O 3.2Å; N465-I479 PolarHBondContact OD1-N 3.24Å; I479-P481 WeakPolarHBondContact O-CD 3.3Å; I479-L500 HydrophobicContact CD1-CD2 4.15Å |
| 480 | D | 72.7 | Confident | 62.2 | Low | 84 Ų | 84 | 86.9 Ų | 86.9 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 118.6 | -179.8 | -176 | -8.7 | 0 | 0 | 0 | 111.6 | E482 V483 | D480-E482 PolarHBondContact O-N 2.8Å; D480-E482 PolarHBondContact OD1-N 3.29Å; D480-V483 HydrophobicContact CB-CG2 4.04Å; D480-V483 WeakPolarHBondContact O-CB 3.29Å; D480-V483 PolarHBondContact O-N 3.39Å |
| 481 | P | 70.5 | Confident | 62.9 | Low | 36 Ų | 36 | 85.1 Ų | 85.1 | 23% | 0.234 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.2 | -25.4 | 178.3 | -20.5 | 32 | 0 | 0 | 0 | 114.8 | R458 V461 I479 V483 I484 R485 | R458-P481 HydrophobicContact CG-CB 4.46Å; V461-P481 HydrophobicContact CG1-CG 3.98Å; I479-P481 WeakPolarHBondContact O-CD 3.3Å; P481-V483 PolarHBondContact O-N 3.3Å; P481-I484 PolarHBondContact O-N 3.11Å; P481-R485 PolarHBondContact O-N 3.43Å |
| 482 | E | 71.1 | Confident | 64 | Low | 90 Ų | 90 | 84.6 Ų | 84.6 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.3 | -23.5 | -180 | -74.9 | -69.9 | 125.1 | 0 | 0 | 112.2 | D480 I484 R485 A486 | D480-E482 PolarHBondContact O-N 2.8Å; D480-E482 PolarHBondContact OD1-N 3.29Å; E482-I484 VanDerWaalsContact C-N 3.33Å; E482-I484 PolarHBondContact O-N 3.01Å; E482-R485 VanDerWaalsContact CD-NH1 3.27Å; E482-R485 WeakPolarHBondContact O-CB 3.3Å; E482-R485 PolarHBondContact O-N 3.42Å; E482-R485 WeakPolarHBondContact OE1-CD 3.26Å; E482-R485 IonicContact OE1-CZ 2.58Å; E482-R485 IonicContact OE1-NE 2.68Å; E482-R485 IonicContact OE1-NH1 3.6Å; E482-R485 PolarHBondContact OE1-NH1 3.14Å; E482-R485 WeakPolarHBondContact OE2-CD 2.96Å; E482-R485 IonicContact OE2-CZ 3.97Å; E482-R485 IonicContact OE2-NH1 2.72Å; E482-R485 PolarHBondContact OE2-NH1 3.19Å; E482-A486 PolarHBondContact O-N 3.37Å |
| 483 | V | 72.5 | Confident | 65.8 | Low | 88 Ų | 88 | 76.8 Ų | 76.8 | 53% | 0.533 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | D480 P481 R485 A486 Q487 | D480-V483 HydrophobicContact CB-CG2 4.04Å; D480-V483 WeakPolarHBondContact O-CB 3.29Å; D480-V483 PolarHBondContact O-N 3.39Å; P481-V483 PolarHBondContact O-N 3.3Å; V483-R485 VanDerWaalsContact C-N 3.35Å; V483-A486 PolarHBondContact O-N 3.11Å; V483-Q487 PolarHBondContact O-N 3.14Å; V483-Q487 VanDerWaalsContact O-N 3.13Å |
| 484 | I | 75.5 | Confident | 67.7 | Low | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67 | -37.7 | 177.1 | -67.4 | 161.3 | 0 | 0 | 0 | 111.1 | C457 R458 V461 P481 E482 A486 Q487 T496 L500 | C457-I484 HydrophobicContact CB-CD1 4Å; C457-I484 HydrophobicContact CB-CG2 3.75Å; R458-I484 HydrophobicContact CG-CB 4.36Å; R458-I484 HydrophobicContact CG-CG2 4.13Å; V461-I484 HydrophobicContact CB-CD1 4.28Å; V461-I484 HydrophobicContact CG2-CD1 3.47Å; V461-I484 VanDerWaalsContact CG2-CD1 3.47Å; P481-I484 PolarHBondContact O-N 3.11Å; E482-I484 VanDerWaalsContact C-N 3.33Å; E482-I484 PolarHBondContact O-N 3.01Å; I484-A486 VanDerWaalsContact C-N 3.26Å; I484-A486 PolarHBondContact O-N 3.29Å; I484-Q487 PolarHBondContact O-N 3.36Å; I484-T496 HydrophobicContact CD1-CG2 4.36Å; I484-T496 HydrophobicContact CG1-CG2 4.12Å; I484-L500 HydrophobicContact CD1-CD1 4.35Å |
| 485 | R | 68.2 | Low | 69.5 | Low | 95 Ų | 95 | 69.1 Ų | 69.1 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 176.8 | -162.3 | -179.8 | -179.4 | -156.7 | -0.2 | 111 | E314 K454 P481 E482 V483 | E314-R485 IonicContact OE1-CZ 2.65Å; E314-R485 IonicContact OE1-NE 2.65Å; E314-R485 IonicContact OE1-NH2 2.87Å; E314-R485 PolarHBondContact OE1-NH2 3.22Å; E314-R485 IonicContact OE2-CZ 3.78Å; E314-R485 VanDerWaalsContact OE2-CZ 3.27Å; E314-R485 IonicContact OE2-NE 3.19Å; E314-R485 PolarHBondContact OE2-NE 2.96Å; E314-R485 IonicContact OE2-NH2 3.7Å; E314-R485 PolarHBondContact OE2-NH2 2.88Å; K454-R485 PolarHBondContact NZ-O 2.89Å; P481-R485 PolarHBondContact O-N 3.43Å; E482-R485 VanDerWaalsContact CD-NH1 3.27Å; E482-R485 WeakPolarHBondContact O-CB 3.3Å; E482-R485 PolarHBondContact O-N 3.42Å; E482-R485 WeakPolarHBondContact OE1-CD 3.26Å; E482-R485 IonicContact OE1-CZ 2.58Å; E482-R485 IonicContact OE1-NE 2.68Å; E482-R485 IonicContact OE1-NH1 3.6Å; E482-R485 PolarHBondContact OE1-NH1 3.14Å; E482-R485 WeakPolarHBondContact OE2-CD 2.96Å; E482-R485 IonicContact OE2-CZ 3.97Å; E482-R485 IonicContact OE2-NH1 2.72Å; E482-R485 PolarHBondContact OE2-NH1 3.19Å; V483-R485 VanDerWaalsContact C-N 3.35Å |
| 486 | A | 68 | Low | 71.5 | Confident | 77 Ų | 77 | 64.4 Ų | 64.4 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -86.4 | -8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | E482 V483 I484 D488 | E482-A486 PolarHBondContact O-N 3.37Å; V483-A486 PolarHBondContact O-N 3.11Å; I484-A486 VanDerWaalsContact C-N 3.26Å; I484-A486 PolarHBondContact O-N 3.29Å; A486-D488 PolarHBondContact O-N 3.16Å |
| 487 | Q | 65.6 | Low | 73.6 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | trans | -70 | 118.9 | 169.9 | -77.6 | 171.9 | -34.2 | 0 | 0 | 109.9 | K454 V483 I484 S492 I493 T496 | K454-Q487 WeakPolarHBondContact CE-O 3.02Å; K454-Q487 PolarHBondContact NZ-O 3.01Å; V483-Q487 PolarHBondContact O-N 3.14Å; V483-Q487 VanDerWaalsContact O-N 3.13Å; I484-Q487 PolarHBondContact O-N 3.36Å; Q487-S492 PolarHBondContact NE2-OG 3.3Å; Q487-I493 HydrophobicContact CB-CG1 3.9Å; Q487-T496 PolarHBondContact NE2-OG1 3.5Å | ||
| 488 | D | 63.3 | Low | 75.3 | Confident | 114 Ų | 114 | 56.9 Ų | 56.9 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | trans | -107 | -13 | 175.9 | -74.8 | -25 | 0 | 0 | 0 | 114.4 | R450 K454 A486 | R450-D488 PolarHBondContact NH1-O 3.28Å; K454-D488 IonicContact NZ-OD1 3.31Å; K454-D488 PolarHBondContact NZ-OD1 3.07Å; A486-D488 PolarHBondContact O-N 3.16Å | ||
| 489 | D | 69.3 | Low | 76.3 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | trans | -74.8 | 131.6 | 170.6 | 171.7 | 47.7 | 0 | 0 | 0 | 111.8 | Q491 S492 I493 | D489-Q491 PolarHBondContact OD1-N 3.16Å; D489-Q491 PolarHBondContact OD2-N 3.4Å; D489-S492 WeakPolarHBondContact OD2-CB 3.31Å; D489-S492 PolarHBondContact OD2-N 2.88Å; D489-I493 WeakPolarHBondContact O-CD1 3.24Å; D489-I493 VanDerWaalsContact O-CG1 3.29Å; D489-I493 WeakPolarHBondContact O-CG1 3.48Å; D489-I493 PolarHBondContact O-N 3.24Å | ||
| 490 | F | 71.9 | Confident | 77 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -38.8 | -178.5 | -179.5 | -103.6 | 0 | 0 | 0 | 112.5 | L449 R450 L453 I493 L494 D525 W532 | L449-F490 HydrophobicContact CD2-CE2 3.9Å; L449-F490 HydrophobicContact CD2-CZ 3.62Å; L449-F490 HydrophobicContact CG-CE2 4.02Å; L449-F490 HydrophobicContact CG-CZ 4.21Å; R450-F490 HydrophobicContact CB-CD2 4.36Å; R450-F490 HydrophobicContact CG-CD2 4.28Å; L453-F490 HydrophobicContact CD1-CE2 4.01Å; L453-F490 HydrophobicContact CD1-CZ 4.3Å; F490-I493 PolarHBondContact O-N 2.61Å; F490-L494 HydrophobicContact CE1-CD2 4.26Å; F490-L494 WeakPolarHBondContact O-CB 3.33Å; F490-L494 PolarHBondContact O-N 3.24Å; F490-D525 HydrophobicContact CD1-CB 4.25Å; F490-D525 HydrophobicContact CD2-CB 3.71Å; F490-D525 HydrophobicContact CE1-CB 4.2Å; F490-D525 HydrophobicContact CE2-CB 3.66Å; F490-D525 HydrophobicContact CG-CB 4.02Å; F490-D525 HydrophobicContact CZ-CB 3.92Å; F490-W532 HydrophobicContact CZ-CB 4.24Å |
| 491 | Q | 71.4 | Confident | 77.9 | Confident | 99 Ų | 99 | 48.4 Ų | 48.4 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.8 | -36.3 | -178.6 | -168.2 | 68.4 | 1.9 | 0 | 0 | 111.5 | D489 L494 N495 | D489-Q491 PolarHBondContact OD1-N 3.16Å; D489-Q491 PolarHBondContact OD2-N 3.4Å; Q491-L494 PolarHBondContact O-N 2.62Å; Q491-N495 PolarHBondContact O-N 2.91Å |
| 492 | S | 72.6 | Confident | 78.7 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 172.1 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | Q487 D489 L494 T496 | Q487-S492 PolarHBondContact NE2-OG 3.3Å; D489-S492 WeakPolarHBondContact OD2-CB 3.31Å; D489-S492 PolarHBondContact OD2-N 2.88Å; S492-L494 VanDerWaalsContact C-N 3.34Å; S492-L494 PolarHBondContact O-N 2.99Å; S492-T496 WeakPolarHBondContact O-CB 3.27Å; S492-T496 PolarHBondContact O-N 3.41Å; S492-T496 PolarHBondContact O-OG1 3.25Å |
| 493 | I | 83.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.2 | -63.9 | 159.1 | 0 | 0 | 0 | 110.4 | R450 L453 K454 Q487 D489 F490 T496 F497 | R450-I493 HydrophobicContact CG-CD1 3.61Å; L453-I493 HydrophobicContact CB-CG2 3.77Å; K454-I493 HydrophobicContact CD-CD1 4.42Å; K454-I493 HydrophobicContact CG-CD1 3.99Å; K454-I493 HydrophobicContact CG-CG1 4.35Å; K454-I493 HydrophobicContact CG-CG2 4.37Å; Q487-I493 HydrophobicContact CB-CG1 3.9Å; D489-I493 WeakPolarHBondContact O-CD1 3.24Å; D489-I493 VanDerWaalsContact O-CG1 3.29Å; D489-I493 WeakPolarHBondContact O-CG1 3.48Å; D489-I493 PolarHBondContact O-N 3.24Å; F490-I493 PolarHBondContact O-N 2.61Å; I493-T496 PolarHBondContact O-N 2.84Å; I493-F497 PolarHBondContact O-N 3.49Å |
| 494 | L | 85.5 | Confident | 79.8 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | -178.2 | -171.8 | 64.9 | 0 | 0 | 0 | 112.9 | L453 F490 Q491 S492 Y498 W532 | L453-L494 HydrophobicContact CD1-CD1 3.92Å; F490-L494 HydrophobicContact CE1-CD2 4.26Å; F490-L494 WeakPolarHBondContact O-CB 3.33Å; F490-L494 PolarHBondContact O-N 3.24Å; Q491-L494 PolarHBondContact O-N 2.62Å; S492-L494 VanDerWaalsContact C-N 3.34Å; S492-L494 PolarHBondContact O-N 2.99Å; L494-Y498 HydrophobicContact CD1-CD2 4.39Å; L494-Y498 HydrophobicContact CD1-CE2 4.13Å; L494-Y498 WeakPolarHBondContact O-CD2 3.34Å; L494-Y498 PolarHBondContact O-N 2.94Å; L494-W532 HydrophobicContact CD1-CB 4.04Å; L494-W532 WeakPolarHBondContact CD1-O 3.32Å; L494-W532 HydrophobicContact CD2-CB 4.4Å |
| 495 | N | 86.4 | Confident | 80.2 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.6 | -53.5 | 170.9 | -73.9 | -10.7 | 0 | 0 | 0 | 110.3 | Q491 F497 Y498 D499 R534 | Q491-N495 PolarHBondContact O-N 2.91Å; N495-F497 PolarHBondContact O-N 3.11Å; N495-F497 VanDerWaalsContact O-N 3.12Å; N495-Y498 PolarHBondContact O-N 2.88Å; N495-D499 VanDerWaalsContact C-OD2 3.31Å; N495-D499 PolarHBondContact O-N 3.44Å; N495-D499 VanDerWaalsContact O-OD2 3.11Å; N495-R534 PolarHBondContact OD1-NH1 3.22Å; N495-R534 PolarHBondContact OD1-NH2 2.77Å |
| 496 | T | 87.2 | Confident | 80.8 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.3 | -38.9 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | I484 Q487 S492 I493 L500 | I484-T496 HydrophobicContact CD1-CG2 4.36Å; I484-T496 HydrophobicContact CG1-CG2 4.12Å; Q487-T496 PolarHBondContact NE2-OG1 3.5Å; S492-T496 WeakPolarHBondContact O-CB 3.27Å; S492-T496 PolarHBondContact O-N 3.41Å; S492-T496 PolarHBondContact O-OG1 3.25Å; I493-T496 PolarHBondContact O-N 2.84Å; T496-L500 HydrophobicContact CG2-CD1 4.02Å; T496-L500 HydrophobicContact CG2-CG 4.5Å; T496-L500 VanDerWaalsContact O-CD1 3.32Å; T496-L500 WeakPolarHBondContact O-CD1 3.26Å; T496-L500 WeakPolarHBondContact O-CG 3.3Å; T496-L500 PolarHBondContact O-N 3.48Å |
| 497 | F | 92.7 | Very high | 81.2 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -51 | 174.2 | 178.8 | -118.1 | 0 | 0 | 0 | 112.9 | L453 T456 C457 L460 I493 N495 L501 I513 | L453-F497 HydrophobicContact CD2-CD1 3.9Å; L453-F497 HydrophobicContact CD2-CD2 4.17Å; L453-F497 HydrophobicContact CD2-CE1 4.06Å; L453-F497 HydrophobicContact CD2-CE2 4.33Å; L453-F497 HydrophobicContact CD2-CG 3.95Å; L453-F497 HydrophobicContact CD2-CZ 4.27Å; T456-F497 HydrophobicContact CG2-CD2 4.38Å; T456-F497 HydrophobicContact CG2-CE2 3.7Å; C457-F497 WeakPolarHBondContact SG-CA 3.11Å; C457-F497 VanDerWaalsContact SG-CB 3.54Å; L460-F497 HydrophobicContact CD1-CD2 4.01Å; L460-F497 HydrophobicContact CD1-CE2 4.03Å; I493-F497 PolarHBondContact O-N 3.49Å; N495-F497 PolarHBondContact O-N 3.11Å; N495-F497 VanDerWaalsContact O-N 3.12Å; F497-L501 HydrophobicContact CD1-CD1 4.19Å; F497-L501 HydrophobicContact CD2-CD1 4.45Å; F497-L501 HydrophobicContact CE1-CD1 3.75Å; F497-L501 HydrophobicContact CE2-CD1 4.02Å; F497-L501 HydrophobicContact CZ-CD1 3.67Å; F497-L501 WeakPolarHBondContact O-CG 3.34Å; F497-L501 PolarHBondContact O-N 3.38Å; F497-I513 HydrophobicContact CE2-CD1 4.12Å; F497-I513 HydrophobicContact CZ-CD1 3.9Å |
| 498 | Y | 91.6 | Very high | 81.8 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72 | -34.5 | -178.9 | -81.7 | -77.1 | 0 | 0 | 0 | 113 | L494 N495 L500 L501 I502 R534 L537 | L494-Y498 HydrophobicContact CD1-CD2 4.39Å; L494-Y498 HydrophobicContact CD1-CE2 4.13Å; L494-Y498 WeakPolarHBondContact O-CD2 3.34Å; L494-Y498 PolarHBondContact O-N 2.94Å; N495-Y498 PolarHBondContact O-N 2.88Å; Y498-L500 PolarHBondContact O-N 2.95Å; Y498-L501 HydrophobicContact CD1-CD1 4.32Å; Y498-L501 HydrophobicContact CE1-CD1 4.42Å; Y498-L501 PolarHBondContact O-N 2.99Å; Y498-I502 VanDerWaalsContact O-CG1 3.32Å; Y498-I502 WeakPolarHBondContact O-CG1 3.37Å; Y498-I502 PolarHBondContact O-N 3.04Å; Y498-R534 HydrophobicContact CD1-CB 4.27Å; Y498-R534 HydrophobicContact CD2-CB 4.44Å; Y498-R534 HydrophobicContact CD2-CG 4.03Å; Y498-R534 HydrophobicContact CE1-CB 3.8Å; Y498-R534 HydrophobicContact CE1-CG 4.4Å; Y498-R534 HydrophobicContact CE2-CB 3.99Å; Y498-R534 HydrophobicContact CE2-CG 3.71Å; Y498-R534 PolarHBondContact OH-N 3.18Å; Y498-L537 HydrophobicContact CE1-CD2 4.3Å |
| 499 | D | 87.9 | Confident | 82.7 | Confident | 92 Ų | 92 | 48.5 Ų | 48.5 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.5 | -60.5 | -31 | 0 | 0 | 0 | 111.3 | N495 L501 I502 Q503 | N495-D499 VanDerWaalsContact C-OD2 3.31Å; N495-D499 PolarHBondContact O-N 3.44Å; N495-D499 VanDerWaalsContact O-OD2 3.11Å; D499-L501 PolarHBondContact O-N 2.63Å; D499-I502 PolarHBondContact O-N 3.04Å; D499-Q503 WeakPolarHBondContact O-CB 3.13Å; D499-Q503 PolarHBondContact O-N 2.83Å |
| 500 | L | 88.9 | Confident | 83.5 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | 175.6 | -67 | 166.4 | 0 | 0 | 0 | 112.5 | C457 L460 V461 I464 I479 I484 T496 Y498 Q503 L504 | C457-L500 HydrophobicContact CB-CD1 4Å; L460-L500 HydrophobicContact CB-CB 4.22Å; L460-L500 HydrophobicContact CB-CD1 4.26Å; L460-L500 HydrophobicContact CD1-CB 4.22Å; V461-L500 HydrophobicContact CG2-CD1 3.83Å; V461-L500 HydrophobicContact CG2-CD2 3.56Å; V461-L500 HydrophobicContact CG2-CG 4.38Å; I464-L500 HydrophobicContact CD1-CB 4.19Å; I464-L500 HydrophobicContact CD1-CD2 3.56Å; I464-L500 HydrophobicContact CD1-CG 4.47Å; I479-L500 HydrophobicContact CD1-CD2 4.15Å; I484-L500 HydrophobicContact CD1-CD1 4.35Å; T496-L500 HydrophobicContact CG2-CD1 4.02Å; T496-L500 HydrophobicContact CG2-CG 4.5Å; T496-L500 VanDerWaalsContact O-CD1 3.32Å; T496-L500 WeakPolarHBondContact O-CD1 3.26Å; T496-L500 WeakPolarHBondContact O-CG 3.3Å; T496-L500 PolarHBondContact O-N 3.48Å; Y498-L500 PolarHBondContact O-N 2.95Å; L500-Q503 PolarHBondContact O-N 3.38Å; L500-L504 PolarHBondContact O-N 2.83Å |
| 501 | L | 91.3 | Very high | 84.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.4 | -41 | 175.5 | -71.4 | 175.3 | 0 | 0 | 0 | 112.3 | L460 F497 Y498 D499 L504 S505 V511 I513 P538 V541 | L460-L501 HydrophobicContact CD1-CD2 3.98Å; L460-L501 HydrophobicContact CD1-CG 4.21Å; L460-L501 HydrophobicContact CD2-CD2 4.16Å; F497-L501 HydrophobicContact CD1-CD1 4.19Å; F497-L501 HydrophobicContact CD2-CD1 4.45Å; F497-L501 HydrophobicContact CE1-CD1 3.75Å; F497-L501 HydrophobicContact CE2-CD1 4.02Å; F497-L501 HydrophobicContact CZ-CD1 3.67Å; F497-L501 WeakPolarHBondContact O-CG 3.34Å; F497-L501 PolarHBondContact O-N 3.38Å; Y498-L501 HydrophobicContact CD1-CD1 4.32Å; Y498-L501 HydrophobicContact CE1-CD1 4.42Å; Y498-L501 PolarHBondContact O-N 2.99Å; D499-L501 PolarHBondContact O-N 2.63Å; L501-L504 PolarHBondContact O-N 3.11Å; L501-S505 WeakPolarHBondContact O-CB 3.15Å; L501-S505 PolarHBondContact O-N 2.97Å; L501-V511 HydrophobicContact CD2-CB 4.5Å; L501-V511 HydrophobicContact CD2-CG1 3.97Å; L501-I513 HydrophobicContact CD2-CD1 4.08Å; L501-P538 HydrophobicContact CB-CG 4.47Å; L501-V541 HydrophobicContact CB-CG2 4.24Å; L501-V541 HydrophobicContact CD1-CG1 4.38Å; L501-V541 HydrophobicContact CD2-CG1 4.1Å; L501-V541 HydrophobicContact CD2-CG2 4.21Å |
| 502 | I | 87.6 | Confident | 85.4 | Confident | 78 Ų | 78 | 40.4 Ų | 40.4 | 40% | 0.4 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 173.6 | -68.8 | 164 | 0 | 0 | 0 | 110 | Y498 D499 L504 S505 N506 P538 | Y498-I502 VanDerWaalsContact O-CG1 3.32Å; Y498-I502 WeakPolarHBondContact O-CG1 3.37Å; Y498-I502 PolarHBondContact O-N 3.04Å; D499-I502 PolarHBondContact O-N 3.04Å; I502-L504 PolarHBondContact O-N 3.11Å; I502-S505 PolarHBondContact O-N 3.3Å; I502-N506 WeakPolarHBondContact O-CB 3.34Å; I502-N506 PolarHBondContact O-N 3.2Å; I502-N506 PolarHBondContact O-ND2 3.04Å; I502-P538 HydrophobicContact CG1-CG 3.86Å |
| 503 | Q | 83.7 | Confident | 86.5 | Confident | 64 Ų | 64 | 38.5 Ų | 38.5 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 177.4 | -161.1 | -172.8 | 9.5 | 0 | 0 | 112.3 | D499 L500 N506 M507 | D499-Q503 WeakPolarHBondContact O-CB 3.13Å; D499-Q503 PolarHBondContact O-N 2.83Å; L500-Q503 PolarHBondContact O-N 3.38Å; Q503-N506 PolarHBondContact O-N 3.06Å; Q503-M507 HydrophobicContact CG-CE 4.23Å; Q503-M507 PolarHBondContact O-N 3.33Å; Q503-M507 VanDerWaalsContact O-N 3.11Å |
| 504 | L | 84.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69 | -39.3 | 175.5 | -79 | 163.6 | 0 | 0 | 0 | 113.1 | I434 L460 I464 I467 L500 L501 I502 N506 M507 Q508 R509 V511 | I434-L504 HydrophobicContact CD1-CD1 4Å; I434-L504 HydrophobicContact CD1-CD2 3.6Å; I434-L504 HydrophobicContact CD1-CG 4.43Å; L460-L504 HydrophobicContact CB-CD1 4.43Å; L460-L504 HydrophobicContact CD2-CD1 3.64Å; I464-L504 HydrophobicContact CD1-CD1 3.99Å; I464-L504 HydrophobicContact CD1-CD2 4.49Å; I464-L504 HydrophobicContact CD1-CG 3.94Å; I464-L504 HydrophobicContact CG1-CD1 4.02Å; I464-L504 HydrophobicContact CG1-CD2 3.73Å; I464-L504 HydrophobicContact CG1-CG 3.73Å; I467-L504 HydrophobicContact CD1-CD2 4.23Å; L500-L504 PolarHBondContact O-N 2.83Å; L501-L504 PolarHBondContact O-N 3.11Å; I502-L504 PolarHBondContact O-N 3.11Å; L504-N506 VanDerWaalsContact C-N 3.32Å; L504-N506 PolarHBondContact O-N 3.43Å; L504-M507 HydrophobicContact CD2-CE 4Å; L504-M507 HydrophobicContact CG-CE 4.45Å; L504-M507 CarbonylContact O-C 3.42Å; L504-M507 PolarHBondContact O-N 3.12Å; L504-Q508 PolarHBondContact O-N 2.86Å; L504-R509 HydrophobicContact CD2-CB 4.18Å; L504-R509 HydrophobicContact CD2-CG 4.22Å; L504-R509 PolarHBondContact O-N 3.01Å; L504-R509 VanDerWaalsContact O-N 3.07Å; L504-V511 HydrophobicContact CB-CG2 3.87Å; L504-V511 HydrophobicContact CD1-CG2 4.02Å; L504-V511 HydrophobicContact CG-CG2 4.48Å |
| 505 | S | 82.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | L501 I502 M507 Q508 Y540 | L501-S505 WeakPolarHBondContact O-CB 3.15Å; L501-S505 PolarHBondContact O-N 2.97Å; I502-S505 PolarHBondContact O-N 3.3Å; S505-M507 VanDerWaalsContact C-N 3.31Å; S505-M507 PolarHBondContact O-N 3.38Å; S505-Q508 WeakPolarHBondContact O-CA 3.26Å; S505-Q508 PolarHBondContact O-N 2.85Å; S505-Y540 WeakPolarHBondContact O-CD2 3.49Å |
| 506 | N | 80.8 | Confident | 87.8 | Confident | 126 Ų | 126 | 35.3 Ų | 35.3 | 67% | 0.674 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -67.9 | -29.9 | 175.2 | -70.7 | -17.2 | 0 | 0 | 0 | 112.5 | I502 Q503 L504 Q508 | I502-N506 WeakPolarHBondContact O-CB 3.34Å; I502-N506 PolarHBondContact O-N 3.2Å; I502-N506 PolarHBondContact O-ND2 3.04Å; Q503-N506 PolarHBondContact O-N 3.06Å; L504-N506 VanDerWaalsContact C-N 3.32Å; L504-N506 PolarHBondContact O-N 3.43Å; N506-Q508 PolarHBondContact O-N 2.94Å |
| 507 | M | 77.3 | Confident | 87.8 | Confident | 65 Ų | 65 | 34.7 Ų | 34.7 | 32% | 0.32 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 7.4 | 168.6 | -71.8 | -169.6 | -85 | 0 | 0 | 114 | I464 I467 Q503 L504 S505 R509 | I464-M507 HydrophobicContact CG1-CE 4.11Å; I464-M507 HydrophobicContact CG2-CE 4.25Å; I467-M507 HydrophobicContact CG2-SD 4.28Å; Q503-M507 HydrophobicContact CG-CE 4.23Å; Q503-M507 PolarHBondContact O-N 3.33Å; Q503-M507 VanDerWaalsContact O-N 3.11Å; L504-M507 HydrophobicContact CD2-CE 4Å; L504-M507 HydrophobicContact CG-CE 4.45Å; L504-M507 CarbonylContact O-C 3.42Å; L504-M507 PolarHBondContact O-N 3.12Å; S505-M507 VanDerWaalsContact C-N 3.31Å; S505-M507 PolarHBondContact O-N 3.38Å; M507-R509 HydrophobicContact CB-CG 4.07Å; M507-R509 PolarHBondContact O-N 3.22Å |
| 508 | Q | 77.8 | Confident | 87.6 | Confident | 135 Ų | 135 | 34.6 Ų | 34.6 | 63% | 0.631 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33.5 | -177 | -58 | -177.1 | -4.2 | 0 | 0 | 113.2 | L504 S505 N506 Y540 | L504-Q508 PolarHBondContact O-N 2.86Å; S505-Q508 WeakPolarHBondContact O-CA 3.26Å; S505-Q508 PolarHBondContact O-N 2.85Å; N506-Q508 PolarHBondContact O-N 2.94Å; Q508-Y540 HydrophobicContact CB-CE2 4.41Å; Q508-Y540 HydrophobicContact CG-CE2 4.15Å |
| 509 | R | 81.5 | Confident | 87.3 | Confident | 59 Ų | 59 | 34.7 Ų | 34.7 | 22% | 0.223 | 17% | 0.173 | C | C | . | . | trans | -93.1 | 130.4 | 173.4 | -59.3 | -52.1 | -154.6 | 170.2 | 16.2 | 109.5 | D431 I467 L504 M507 Y540 | D431-R509 VanDerWaalsContact O-CZ 3.3Å; D431-R509 PolarHBondContact O-NH1 3.14Å; D431-R509 VanDerWaalsContact O-NH1 3.16Å; D431-R509 PolarHBondContact O-NH2 3.39Å; I467-R509 HydrophobicContact CD1-CG 4.23Å; L504-R509 HydrophobicContact CD2-CB 4.18Å; L504-R509 HydrophobicContact CD2-CG 4.22Å; L504-R509 PolarHBondContact O-N 3.01Å; L504-R509 VanDerWaalsContact O-N 3.07Å; M507-R509 HydrophobicContact CB-CG 4.07Å; M507-R509 PolarHBondContact O-N 3.22Å; R509-Y540 WeakPolarHBondContact O-CB 3.29Å | ||
| 510 | H | 86.6 | Confident | 87.1 | Confident | 54 Ų | 54 | 32.1 Ų | 32.1 | 25% | 0.25 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 130.4 | 172.5 | -74.7 | -98.5 | 0 | 0 | 0 | 109.7 | I380 S432 V433 I434 Y540 | I380-H510 HydrophobicContact CD1-CB 3.88Å; S432-H510 PolarHBondContact O-N 3.09Å; S432-H510 VanDerWaalsContact O-N 3.08Å; V433-H510 WeakPolarHBondContact CA-O 3.27Å; V433-H510 HydrophobicContact CG1-CB 4.34Å; V433-H510 HydrophobicContact CG2-CB 4.29Å; I434-H510 PolarHBondContact N-O 2.84Å; H510-Y540 CarbonylContact C-O 3.28Å; H510-Y540 VanDerWaalsContact CA-O 3.31Å; H510-Y540 WeakPolarHBondContact CA-O 3.17Å; H510-Y540 AromaticContact CE1-CD1 3.71Å; H510-Y540 AromaticContact NE2-CD1 3.66Å; H510-Y540 AromaticContact NE2-CE1 3.94Å |
| 511 | V | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116.7 | 178.1 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | I434 L460 L501 L504 I513 Y540 V541 K542 | I434-V511 HydrophobicContact CG2-CG1 4.47Å; I434-V511 WeakPolarHBondContact O-CA 3.47Å; L460-V511 HydrophobicContact CD2-CG1 4.15Å; L501-V511 HydrophobicContact CD2-CB 4.5Å; L501-V511 HydrophobicContact CD2-CG1 3.97Å; L504-V511 HydrophobicContact CB-CG2 3.87Å; L504-V511 HydrophobicContact CD1-CG2 4.02Å; L504-V511 HydrophobicContact CG-CG2 4.48Å; V511-I513 HydrophobicContact CG1-CD1 4.47Å; V511-I513 HydrophobicContact CG1-CG1 4.18Å; V511-Y540 PolarHBondContact N-O 3.08Å; V511-V541 HydrophobicContact CB-CG2 4.26Å; V511-V541 CarbonylContact O-C 3.54Å; V511-V541 WeakPolarHBondContact O-CA 3.32Å; V511-K542 PolarHBondContact O-N 3Å |
| 512 | L | 92.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.7 | 177.7 | -53.5 | -177 | 0 | 0 | 0 | 109.5 | I347 A376 I380 V433 I434 V435 I436 F514 K542 | I347-L512 HydrophobicContact CG2-CD1 4.38Å; I347-L512 HydrophobicContact CG2-CD2 4.16Å; A376-L512 HydrophobicContact CB-CD1 3.59Å; I380-L512 HydrophobicContact CD1-CD1 3.9Å; I380-L512 HydrophobicContact CD1-CD2 4.15Å; I380-L512 HydrophobicContact CD1-CG 4.22Å; V433-L512 HydrophobicContact CG1-CD1 4.39Å; I434-L512 PolarHBondContact O-N 2.8Å; V435-L512 WeakPolarHBondContact CA-O 3.42Å; V435-L512 HydrophobicContact CG2-CB 4.45Å; V435-L512 HydrophobicContact CG2-CD1 4.32Å; I436-L512 PolarHBondContact N-O 2.79Å; L512-F514 HydrophobicContact CB-CD2 4.46Å; L512-F514 HydrophobicContact CB-CE2 3.72Å; L512-F514 HydrophobicContact CB-CZ 4.39Å; L512-F514 HydrophobicContact CD1-CE2 4.42Å; L512-K542 HydrophobicContact CD2-CB 3.69Å; L512-K542 HydrophobicContact CD2-CG 3.85Å |
| 513 | I | 94.8 | Very high | 84.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.1 | 178.7 | -57.6 | -176.9 | 0 | 0 | 0 | 109.5 | I436 F497 L501 V511 F515 K542 L543 I544 | I436-I513 HydrophobicContact CB-CG1 4.46Å; I436-I513 CarbonylContact O-C 3.5Å; I436-I513 WeakPolarHBondContact O-CA 3.41Å; F497-I513 HydrophobicContact CE2-CD1 4.12Å; F497-I513 HydrophobicContact CZ-CD1 3.9Å; L501-I513 HydrophobicContact CD2-CD1 4.08Å; V511-I513 HydrophobicContact CG1-CD1 4.47Å; V511-I513 HydrophobicContact CG1-CG1 4.18Å; I513-F515 HydrophobicContact CG2-CD1 3.71Å; I513-F515 HydrophobicContact CG2-CD2 4.49Å; I513-F515 HydrophobicContact CG2-CE1 3.45Å; I513-F515 VanDerWaalsContact CG2-CE1 3.45Å; I513-F515 HydrophobicContact CG2-CE2 4.27Å; I513-F515 HydrophobicContact CG2-CG 4.25Å; I513-F515 HydrophobicContact CG2-CZ 3.76Å; I513-K542 PolarHBondContact N-O 2.85Å; I513-L543 HydrophobicContact CB-CD1 3.86Å; I513-L543 HydrophobicContact CG2-CD1 3.69Å; I513-I544 PolarHBondContact O-N 3.46Å |
| 514 | F | 95.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 112.2 | 178.5 | -62.6 | -91.1 | 0 | 0 | 0 | 109.8 | I347 M369 L372 A373 A376 V435 I436 I437 R438 L512 I544 | I347-F514 HydrophobicContact CD1-CZ 4.13Å; M369-F514 HydrophobicContact SD-CB 4.21Å; M369-F514 HydrophobicContact SD-CD1 3.87Å; L372-F514 HydrophobicContact CB-CD1 4.31Å; L372-F514 HydrophobicContact CB-CE1 3.74Å; L372-F514 HydrophobicContact CB-CZ 4.39Å; A373-F514 HydrophobicContact CB-CD2 3.79Å; A373-F514 HydrophobicContact CB-CE2 4.01Å; A373-F514 HydrophobicContact CB-CG 4.14Å; A376-F514 HydrophobicContact CB-CZ 4.02Å; V435-F514 HydrophobicContact CG1-CD2 4.1Å; V435-F514 HydrophobicContact CG1-CE2 3.96Å; I436-F514 PolarHBondContact O-N 3.27Å; I437-F514 WeakPolarHBondContact CA-O 3.14Å; I437-F514 HydrophobicContact CB-CB 4.28Å; I437-F514 HydrophobicContact CD1-CB 4.49Å; I437-F514 HydrophobicContact CG1-CB 4.12Å; R438-F514 PolarHBondContact N-O 2.68Å; L512-F514 HydrophobicContact CB-CD2 4.46Å; L512-F514 HydrophobicContact CB-CE2 3.72Å; L512-F514 HydrophobicContact CB-CZ 4.39Å; L512-F514 HydrophobicContact CD1-CE2 4.42Å; F514-I544 WeakPolarHBondContact CA-O 2.84Å; F514-I544 HydrophobicContact CD1-CB 3.79Å; F514-I544 HydrophobicContact CD1-CD1 4.06Å; F514-I544 HydrophobicContact CD1-CG1 4.18Å; F514-I544 HydrophobicContact CD1-CG2 4.21Å; F514-I544 HydrophobicContact CE1-CB 4.07Å; F514-I544 HydrophobicContact CE1-CD1 3.68Å; F514-I544 HydrophobicContact CE1-CG1 3.94Å; F514-I544 HydrophobicContact CE1-CG2 4.47Å; F514-I544 HydrophobicContact CZ-CD1 3.96Å |
| 515 | F | 94.8 | Very high | 82.9 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 103.4 | 178.5 | -75.3 | -8 | 0 | 0 | 0 | 110.1 | M369 R438 L440 T452 I513 W532 L543 I544 I545 S546 | M369-F515 WeakPolarHBondContact CE-O 3.26Å; R438-F515 HydrophobicContact CB-CD1 3.9Å; R438-F515 HydrophobicContact CB-CE1 4.12Å; R438-F515 HydrophobicContact CG-CD1 4.43Å; R438-F515 HydrophobicContact CG-CE1 4.14Å; L440-F515 HydrophobicContact CD1-CB 4.08Å; T452-F515 HydrophobicContact CG2-CE1 4.2Å; T452-F515 HydrophobicContact CG2-CE2 4.34Å; T452-F515 HydrophobicContact CG2-CZ 3.93Å; I513-F515 HydrophobicContact CG2-CD1 3.71Å; I513-F515 HydrophobicContact CG2-CD2 4.49Å; I513-F515 HydrophobicContact CG2-CE1 3.45Å; I513-F515 VanDerWaalsContact CG2-CE1 3.45Å; I513-F515 HydrophobicContact CG2-CE2 4.27Å; I513-F515 HydrophobicContact CG2-CG 4.25Å; I513-F515 HydrophobicContact CG2-CZ 3.76Å; F515-W532 AromaticContact CD2-CH2 3.98Å; F515-W532 HydrophobicContact CD2-CH2 3.98Å; F515-W532 AromaticContact CE2-CH2 3.87Å; F515-W532 HydrophobicContact CE2-CH2 3.87Å; F515-W532 HydrophobicContact CE2-CZ3 4.22Å; F515-L543 HydrophobicContact CD2-CD1 4.32Å; F515-I544 PolarHBondContact N-O 3.08Å; F515-I545 HydrophobicContact CB-CG1 4.42Å; F515-I545 CarbonylContact O-C 3.53Å; F515-I545 VanDerWaalsContact O-CA 3.31Å; F515-I545 WeakPolarHBondContact O-CA 2.91Å; F515-S546 PolarHBondContact O-N 2.8Å |
| 516 | D | 92.1 | Very high | 82.1 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136.5 | 179.9 | -169.4 | 56.3 | 0 | 0 | 0 | 112 | T366 M369 R438 F439 L440 S546 | T366-D516 VanDerWaalsContact CA-OD2 3.23Å; T366-D516 WeakPolarHBondContact CA-OD2 3.31Å; T366-D516 WeakPolarHBondContact CB-OD2 3.37Å; T366-D516 WeakPolarHBondContact CG2-OD2 3.49Å; T366-D516 PolarHBondContact OG1-OD2 3.07Å; M369-D516 HydrophobicContact CB-CB 4.15Å; M369-D516 HydrophobicContact CG-CB 3.98Å; M369-D516 WeakPolarHBondContact CG-OD1 3.39Å; R438-D516 PolarHBondContact O-N 2.73Å; F439-D516 HydrophobicContact CD1-CB 3.83Å; F439-D516 HydrophobicContact CE1-CB 4.41Å; L440-D516 VanDerWaalsContact CB-O 3.26Å; L440-D516 WeakPolarHBondContact CB-O 3.22Å; L440-D516 VanDerWaalsContact CG-O 3.27Å; L440-D516 WeakPolarHBondContact CG-O 3.39Å; L440-D516 PolarHBondContact N-O 3.4Å; D516-S546 VanDerWaalsContact OD1-CB 3.28Å; D516-S546 WeakPolarHBondContact OD1-CB 3.49Å; D516-S546 PolarHBondContact OD1-OG 3.39Å |
| 517 | A | 88.3 | Confident | 81.9 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | trans | 60.3 | 60.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | D519 Q520 S546 | A517-D519 PolarHBondContact O-N 3.01Å; A517-D519 VanDerWaalsContact O-N 3.08Å; A517-Q520 HydrophobicContact CB-CG 3.81Å; A517-Q520 WeakPolarHBondContact O-CB 3.4Å; A517-Q520 PolarHBondContact O-N 3.14Å; A517-S546 WeakPolarHBondContact CA-O 3.29Å; A517-S546 PolarHBondContact N-O 3.49Å; A517-S546 PolarHBondContact N-OG 2.86Å | ||
| 518 | I | 88.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -55.8 | -25.1 | 176 | -164.7 | 173.7 | 0 | 0 | 0 | 113.6 | L440 Q520 L521 L530 W532 I545 S546 I554 F558 | L440-I518 HydrophobicContact CD1-CB 4.25Å; L440-I518 HydrophobicContact CD1-CG1 4.46Å; I518-Q520 PolarHBondContact O-N 3.14Å; I518-Q520 VanDerWaalsContact O-N 3.16Å; I518-L521 HydrophobicContact CG1-CD1 4.16Å; I518-L521 PolarHBondContact O-N 2.85Å; I518-L530 HydrophobicContact CD1-CD2 3.69Å; I518-W532 HydrophobicContact CD1-CZ2 3.89Å; I518-I545 HydrophobicContact CB-CG2 4.03Å; I518-I545 HydrophobicContact CD1-CG2 4.16Å; I518-I545 HydrophobicContact CG2-CG2 4.16Å; I518-S546 WeakPolarHBondContact CG2-O 3.1Å; I518-S546 PolarHBondContact N-O 3.14Å; I518-I554 HydrophobicContact CG2-CG2 3.81Å; I518-F558 HydrophobicContact CD1-CE2 4.39Å; I518-F558 HydrophobicContact CD1-CZ 4.23Å; I518-F558 HydrophobicContact CG2-CE2 4.42Å |
| 519 | D | 84.7 | Confident | 81.8 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -64.9 | -7.4 | 171.7 | 58.7 | -96.9 | 0 | 0 | 0 | 114.9 | A517 Y528 L548 I551 I554 | A517-D519 PolarHBondContact O-N 3.01Å; A517-D519 VanDerWaalsContact O-N 3.08Å; D519-Y528 PolarHBondContact O-OH 3.17Å; D519-L548 PolarHBondContact OD1-N 3.41Å; D519-I551 HydrophobicContact CB-CB 4.29Å; D519-I551 HydrophobicContact CB-CD1 4.19Å; D519-I551 HydrophobicContact CB-CG2 4.06Å; D519-I554 HydrophobicContact CB-CD1 4.04Å |
| 520 | Q | 84 | Confident | 81.6 | Confident | 39 Ų | 39 | 28.5 Ų | 28.5 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -92.3 | -9.7 | 174.5 | -60.1 | -56.9 | -57.5 | 0 | 0 | 114.3 | L440 A517 I518 | L440-Q520 VanDerWaalsContact O-CB 3.31Å; L440-Q520 WeakPolarHBondContact O-CB 3.27Å; A517-Q520 HydrophobicContact CB-CG 3.81Å; A517-Q520 WeakPolarHBondContact O-CB 3.4Å; A517-Q520 PolarHBondContact O-N 3.14Å; I518-Q520 PolarHBondContact O-N 3.14Å; I518-Q520 VanDerWaalsContact O-N 3.16Å |
| 521 | L | 82 | Confident | 81 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -73.2 | 150.3 | 171 | -64 | 179.8 | 0 | 0 | 0 | 110.8 | L440 T446 L449 I518 A527 Y528 | L440-L521 HydrophobicContact CB-CD2 4.12Å; L440-L521 HydrophobicContact CB-CG 4.3Å; L440-L521 HydrophobicContact CD1-CD1 4.03Å; L440-L521 HydrophobicContact CD1-CD2 4.37Å; L440-L521 HydrophobicContact CD1-CG 4.05Å; L440-L521 HydrophobicContact CD2-CD2 4.29Å; L440-L521 HydrophobicContact CG-CD2 4.48Å; T446-L521 VanDerWaalsContact O-CD2 3.26Å; T446-L521 WeakPolarHBondContact O-CD2 3.44Å; L449-L521 HydrophobicContact CB-CD1 4.35Å; L449-L521 HydrophobicContact CD1-CD1 4.38Å; I518-L521 HydrophobicContact CG1-CD1 4.16Å; I518-L521 PolarHBondContact O-N 2.85Å; L521-A527 HydrophobicContact CB-CB 4.45Å; L521-Y528 VanDerWaalsContact O-CE1 3.3Å; L521-Y528 WeakPolarHBondContact O-CE1 3.17Å; L521-Y528 PolarHBondContact O-OH 3.03Å |
| 522 | E | 69.8 | Low | 80.6 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | B | Isolated β-bridge | trans | -64.1 | 140.7 | 163.8 | -70.8 | -152.8 | 129.2 | 0 | 0 | 111.3 | S447 T448 S524 A527 R727 | S447-E522 PolarHBondContact O-N 2.88Å; T448-E522 HydrophobicContact CG2-CB 4.4Å; T448-E522 HydrophobicContact CG2-CG 4.49Å; E522-S524 PolarHBondContact O-N 3.35Å; E522-S524 PolarHBondContact O-OG 3.09Å; E522-A527 WeakPolarHBondContact O-CB 3.44Å; E522-R727 IonicContact OE1-CZ 3.61Å; E522-R727 IonicContact OE1-NE 2.61Å; E522-R727 PolarHBondContact OE1-NE 2.87Å; E522-R727 IonicContact OE1-NH2 2.64Å; E522-R727 PolarHBondContact OE1-NH2 3.35Å; E522-R727 IonicContact OE2-CZ 3.86Å; E522-R727 IonicContact OE2-NE 3.64Å; E522-R727 IonicContact OE2-NH2 2.72Å; E522-R727 PolarHBondContact OE2-NH2 3.12Å |
| 523 | P | 65.5 | Low | 80.2 | Confident | 79 Ų | 79 | 30 Ų | 30 | 51% | 0.513 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -67.8 | 3.1 | 178.3 | 28.3 | -35.9 | 0 | 0 | 0 | 114.6 | Y528 | P523-Y528 HydrophobicContact CB-CD1 4.49Å; P523-Y528 HydrophobicContact CB-CD2 3.86Å; P523-Y528 HydrophobicContact CB-CE2 3.89Å; P523-Y528 HydrophobicContact CB-CG 4.16Å; P523-Y528 HydrophobicContact CG-CE2 4.36Å |
| 524 | S | 63.6 | Low | 79.6 | Confident | 42 Ų | 42 | 34 Ų | 34 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -50.1 | 153.5 | 167.1 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | E522 G526 A527 | E522-S524 PolarHBondContact O-N 3.35Å; E522-S524 PolarHBondContact O-OG 3.09Å; S524-G526 PolarHBondContact O-N 2.84Å; S524-A527 PolarHBondContact O-N 3.44Å |
| 525 | D | 67.3 | Low | 78.7 | Confident | 53 Ų | 53 | 36.6 Ų | 36.6 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | 52.3 | 26.5 | 177.8 | -58.7 | -22.6 | 0 | 0 | 0 | 114.4 | R450 F490 | R450-D525 WeakPolarHBondContact CB-OD2 3.35Å; R450-D525 IonicContact CZ-OD1 2.69Å; R450-D525 IonicContact CZ-OD2 3.23Å; R450-D525 VanDerWaalsContact CZ-OD2 3.24Å; R450-D525 IonicContact NE-OD2 2.96Å; R450-D525 PolarHBondContact NE-OD2 3.44Å; R450-D525 IonicContact NH2-OD1 3.99Å; R450-D525 PolarHBondContact NH2-OD1 3Å; R450-D525 IonicContact NH2-OD2 3.85Å; R450-D525 PolarHBondContact NH2-OD2 2.73Å; F490-D525 HydrophobicContact CD1-CB 4.25Å; F490-D525 HydrophobicContact CD2-CB 3.71Å; F490-D525 HydrophobicContact CE1-CB 4.2Å; F490-D525 HydrophobicContact CE2-CB 3.66Å; F490-D525 HydrophobicContact CG-CB 4.02Å; F490-D525 HydrophobicContact CZ-CB 3.92Å |
| 526 | G | 66 | Low | 78 | Confident | 28 Ų | 28 | 41.2 Ų | 41.2 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | 77.1 | 17.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | S524 Y528 F529 L530 | S524-G526 PolarHBondContact O-N 2.84Å; G526-Y528 VanDerWaalsContact C-N 3.28Å; G526-Y528 PolarHBondContact O-N 3.42Å; G526-Y528 VanDerWaalsContact O-N 3.1Å; G526-F529 PolarHBondContact O-N 3.35Å; G526-L530 PolarHBondContact O-N 2.98Å |
| 527 | A | 76.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -41.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L449 L521 E522 S524 W532 | L449-A527 HydrophobicContact CB-CB 4.13Å; L449-A527 HydrophobicContact CD2-CB 4.2Å; L521-A527 HydrophobicContact CB-CB 4.45Å; E522-A527 WeakPolarHBondContact O-CB 3.44Å; S524-A527 PolarHBondContact O-N 3.44Å; A527-W532 PolarHBondContact O-NE1 3.2Å |
| 528 | Y | 80.3 | Confident | 77.8 | Confident | 44 Ų | 44 | 42 Ų | 42 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -18.4 | -180 | -63.4 | -1.7 | 0 | 0 | 0 | 114 | D519 L521 P523 G526 L530 I554 N557 | D519-Y528 PolarHBondContact O-OH 3.17Å; L521-Y528 VanDerWaalsContact O-CE1 3.3Å; L521-Y528 WeakPolarHBondContact O-CE1 3.17Å; L521-Y528 PolarHBondContact O-OH 3.03Å; P523-Y528 HydrophobicContact CB-CD1 4.49Å; P523-Y528 HydrophobicContact CB-CD2 3.86Å; P523-Y528 HydrophobicContact CB-CE2 3.89Å; P523-Y528 HydrophobicContact CB-CG 4.16Å; P523-Y528 HydrophobicContact CG-CE2 4.36Å; G526-Y528 VanDerWaalsContact C-N 3.28Å; G526-Y528 PolarHBondContact O-N 3.42Å; G526-Y528 VanDerWaalsContact O-N 3.1Å; Y528-L530 VanDerWaalsContact C-N 3.29Å; Y528-I554 HydrophobicContact CD1-CD1 3.6Å; Y528-I554 HydrophobicContact CD1-CG1 4.04Å; Y528-I554 HydrophobicContact CD2-CD1 4.14Å; Y528-I554 HydrophobicContact CD2-CG1 4.32Å; Y528-I554 HydrophobicContact CE1-CD1 3.9Å; Y528-I554 HydrophobicContact CE2-CD1 4.39Å; Y528-I554 HydrophobicContact CG-CD1 3.76Å; Y528-I554 HydrophobicContact CG-CG1 3.8Å; Y528-N557 PolarHBondContact O-ND2 2.96Å |
| 529 | F | 71.6 | Confident | 77.4 | Confident | 159 Ų | 159 | 50 Ų | 50 | 70% | 0.697 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -8.6 | 174.3 | -68.3 | -77.7 | 0 | 0 | 0 | 112.7 | G526 G531 | G526-F529 PolarHBondContact O-N 3.35Å; F529-G531 PolarHBondContact O-N 3.5Å |
| 530 | L | 77.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | 61.2 | -0.3 | 172.2 | -54.2 | 174.1 | 0 | 0 | 0 | 117 | I518 G526 Y528 W532 I533 I554 N557 F558 | I518-L530 HydrophobicContact CD1-CD2 3.69Å; G526-L530 PolarHBondContact O-N 2.98Å; Y528-L530 VanDerWaalsContact C-N 3.29Å; L530-W532 PolarHBondContact O-N 2.94Å; L530-I533 HydrophobicContact CB-CD1 4.43Å; L530-I533 HydrophobicContact CD2-CD1 4.12Å; L530-I533 PolarHBondContact O-N 3.44Å; L530-I554 HydrophobicContact CD2-CG2 4.48Å; L530-N557 HydrophobicContact CD1-CB 3.79Å; L530-N557 HydrophobicContact CG-CB 4.36Å; L530-F558 HydrophobicContact CD1-CB 4.08Å; L530-F558 HydrophobicContact CD1-CD1 3.72Å; L530-F558 HydrophobicContact CD1-CD2 3.41Å; L530-F558 VanDerWaalsContact CD1-CD2 3.41Å; L530-F558 HydrophobicContact CD1-CE1 3.89Å; L530-F558 HydrophobicContact CD1-CE2 3.59Å; L530-F558 HydrophobicContact CD1-CG 3.44Å; L530-F558 VanDerWaalsContact CD1-CG 3.44Å; L530-F558 HydrophobicContact CD1-CZ 3.81Å; L530-F558 HydrophobicContact CD2-CD2 4.37Å; L530-F558 HydrophobicContact CD2-CE1 4.25Å; L530-F558 HydrophobicContact CD2-CE2 3.69Å; L530-F558 HydrophobicContact CD2-CZ 3.59Å; L530-F558 HydrophobicContact CG-CE2 4.3Å; L530-F558 HydrophobicContact CG-CZ 4.35Å | ||
| 531 | G | 73.8 | Confident | 77.8 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 72% | 0.722 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 0.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | F529 | F529-G531 PolarHBondContact O-N 3.5Š|
| 532 | W | 81.8 | Confident | 78.3 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -17.9 | 167.6 | 65.7 | -91.7 | 0 | 0 | 0 | 112.9 | L449 L453 F490 L494 F515 I518 A527 L530 R534 | L449-W532 HydrophobicContact CD1-CD2 3.75Å; L449-W532 HydrophobicContact CD1-CE3 4.1Å; L449-W532 HydrophobicContact CD1-CG 4.19Å; L449-W532 HydrophobicContact CD1-CH2 4.33Å; L449-W532 HydrophobicContact CD1-CZ2 3.99Å; L449-W532 HydrophobicContact CD1-CZ3 4.37Å; L449-W532 HydrophobicContact CD2-CB 3.99Å; L449-W532 VanDerWaalsContact CD2-CD1 3.42Å; L449-W532 HydrophobicContact CD2-CD2 4.05Å; L449-W532 HydrophobicContact CD2-CG 3.56Å; L449-W532 HydrophobicContact CG-CG 4.48Å; L453-W532 HydrophobicContact CD2-CZ3 4.45Å; F490-W532 HydrophobicContact CZ-CB 4.24Å; L494-W532 HydrophobicContact CD1-CB 4.04Å; L494-W532 WeakPolarHBondContact CD1-O 3.32Å; L494-W532 HydrophobicContact CD2-CB 4.4Å; F515-W532 AromaticContact CD2-CH2 3.98Å; F515-W532 HydrophobicContact CD2-CH2 3.98Å; F515-W532 AromaticContact CE2-CH2 3.87Å; F515-W532 HydrophobicContact CE2-CH2 3.87Å; F515-W532 HydrophobicContact CE2-CZ3 4.22Å; I518-W532 HydrophobicContact CD1-CZ2 3.89Å; A527-W532 PolarHBondContact O-NE1 3.2Å; L530-W532 PolarHBondContact O-N 2.94Å; W532-R534 PolarHBondContact O-N 3.47Å |
| 533 | I | 86 | Confident | 79.4 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | trans | -86.6 | 105.9 | 178.6 | -54.6 | 176.9 | 0 | 0 | 0 | 109.1 | P354 L530 V535 L543 I545 F558 F562 | P354-I533 HydrophobicContact CG-CG2 4.32Å; L530-I533 HydrophobicContact CB-CD1 4.43Å; L530-I533 HydrophobicContact CD2-CD1 4.12Å; L530-I533 PolarHBondContact O-N 3.44Å; I533-V535 HydrophobicContact CG2-CG2 4.21Å; I533-L543 HydrophobicContact CG2-CD2 4.17Å; I533-I545 HydrophobicContact CD1-CD1 3.59Å; I533-F558 HydrophobicContact CD1-CE1 3.74Å; I533-F558 HydrophobicContact CD1-CZ 3.99Å; I533-F562 HydrophobicContact CB-CZ 4.06Å; I533-F562 HydrophobicContact CG2-CE1 4.47Å; I533-F562 HydrophobicContact CG2-CZ 4.01Å | ||
| 534 | R | 80.8 | Confident | 80.8 | Confident | 85 Ų | 85 | 44.4 Ų | 44.4 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | trans | -82.7 | 135.2 | 171.8 | -54.9 | -179.4 | -174.9 | 173.3 | 0.9 | 110.4 | N495 Y498 W532 L537 | N495-R534 PolarHBondContact OD1-NH1 3.22Å; N495-R534 PolarHBondContact OD1-NH2 2.77Å; Y498-R534 HydrophobicContact CD1-CB 4.27Å; Y498-R534 HydrophobicContact CD2-CB 4.44Å; Y498-R534 HydrophobicContact CD2-CG 4.03Å; Y498-R534 HydrophobicContact CE1-CB 3.8Å; Y498-R534 HydrophobicContact CE1-CG 4.4Å; Y498-R534 HydrophobicContact CE2-CB 3.99Å; Y498-R534 HydrophobicContact CE2-CG 3.71Å; Y498-R534 PolarHBondContact OH-N 3.18Å; W532-R534 PolarHBondContact O-N 3.47Å; R534-L537 WeakPolarHBondContact O-CD2 3.49Å | ||
| 535 | V | 77.1 | Confident | 82.3 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 34% | 0.339 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -133.2 | 143.1 | 178.4 | 174.9 | 0 | 0 | 0 | 0 | 107.7 | P354 I533 F562 | P354-V535 HydrophobicContact CG-CG2 4.41Å; I533-V535 HydrophobicContact CG2-CG2 4.21Å; V535-F562 HydrophobicContact CB-CD1 4.3Å; V535-F562 HydrophobicContact CB-CE1 4.23Å; V535-F562 HydrophobicContact CG2-CD1 3.69Å; V535-F562 HydrophobicContact CG2-CE1 3.44Å; V535-F562 VanDerWaalsContact CG2-CE1 3.44Å; V535-F562 HydrophobicContact CG2-CZ 4.37Å |
| 536 | P | 80.9 | Confident | 83.5 | Confident | 98 Ų | 98 | 39.9 Ų | 39.9 | 64% | 0.636 | 21% | 0.21 | S | C | * | . | S | Bend | cis | -68 | 145.8 | -2.4 | 29.2 | -35.7 | 0 | 0 | 0 | 113.3 | T352 | T352-P536 VanDerWaalsContact OG1-CB 3.3Å; T352-P536 WeakPolarHBondContact OG1-CB 3.45Å |
| 537 | L | 87.4 | Confident | 84.7 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 150.4 | 171.7 | -60.7 | 166.7 | 0 | 0 | 0 | 110.3 | T352 Y498 R534 L543 | T352-L537 WeakPolarHBondContact O-CB 3.44Å; T352-L537 WeakPolarHBondContact O-CD1 3.28Å; T352-L537 WeakPolarHBondContact O-CG 3.39Å; T352-L537 PolarHBondContact O-N 2.97Å; Y498-L537 HydrophobicContact CE1-CD2 4.3Å; R534-L537 WeakPolarHBondContact O-CD2 3.49Å; L537-L543 HydrophobicContact CD1-CB 3.66Å; L537-L543 HydrophobicContact CD2-CD2 4.45Å |
| 538 | P | 87.7 | Confident | 85.2 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 16% | 0.156 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 142.5 | 175.9 | -22.3 | 32.6 | 0 | 0 | 0 | 111.7 | L501 I502 Y540 V541 | L501-P538 HydrophobicContact CB-CG 4.47Å; I502-P538 HydrophobicContact CG1-CG 3.86Å; P538-Y540 PolarHBondContact O-N 2.85Å; P538-V541 HydrophobicContact CB-CB 4.42Å; P538-V541 HydrophobicContact CB-CG2 3.87Å; P538-V541 HydrophobicContact CG-CG2 4.14Å; P538-V541 WeakPolarHBondContact O-CA 3.47Å; P538-V541 WeakPolarHBondContact O-CB 3.44Å; P538-V541 PolarHBondContact O-N 3.25Å |
| 539 | R | 80.7 | Confident | 85.2 | Confident | 170 Ų | 170 | 38.4 Ų | 38.4 | 64% | 0.642 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -35.9 | -166.6 | -172.7 | 177.1 | -172.1 | -176.6 | 5.6 | 116 | D350 | D350-R539 IonicContact OD1-NE 2.77Å; D350-R539 IonicContact OD1-NH2 2.73Å; D350-R539 PolarHBondContact OD1-NH2 3.33Å; D350-R539 VanDerWaalsContact OD1-NH2 3.11Å |
| 540 | Y | 85.9 | Confident | 85.4 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 5.2 | -179 | -66 | -78 | 0 | 0 | 0 | 113.9 | S505 Q508 R509 H510 V511 P538 | S505-Y540 WeakPolarHBondContact O-CD2 3.49Å; Q508-Y540 HydrophobicContact CB-CE2 4.41Å; Q508-Y540 HydrophobicContact CG-CE2 4.15Å; R509-Y540 WeakPolarHBondContact O-CB 3.29Å; H510-Y540 CarbonylContact C-O 3.28Å; H510-Y540 VanDerWaalsContact CA-O 3.31Å; H510-Y540 WeakPolarHBondContact CA-O 3.17Å; H510-Y540 AromaticContact CE1-CD1 3.71Å; H510-Y540 AromaticContact NE2-CD1 3.66Å; H510-Y540 AromaticContact NE2-CE1 3.94Å; V511-Y540 PolarHBondContact N-O 3.08Å; P538-Y540 PolarHBondContact O-N 2.85Å |
| 541 | V | 90.6 | Very high | 85 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.4 | -178.6 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | L501 V511 P538 | L501-V541 HydrophobicContact CB-CG2 4.24Å; L501-V541 HydrophobicContact CD1-CG1 4.38Å; L501-V541 HydrophobicContact CD2-CG1 4.1Å; L501-V541 HydrophobicContact CD2-CG2 4.21Å; V511-V541 HydrophobicContact CB-CG2 4.26Å; V511-V541 CarbonylContact O-C 3.54Å; V511-V541 WeakPolarHBondContact O-CA 3.32Å; P538-V541 HydrophobicContact CB-CB 4.42Å; P538-V541 HydrophobicContact CB-CG2 3.87Å; P538-V541 HydrophobicContact CG-CG2 4.14Å; P538-V541 WeakPolarHBondContact O-CA 3.47Å; P538-V541 WeakPolarHBondContact O-CB 3.44Å; P538-V541 PolarHBondContact O-N 3.25Å |
| 542 | K | 92.5 | Very high | 84.5 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.8 | 171.9 | -60.8 | -71.9 | -178.3 | 161.9 | 0 | 109.6 | Y346 G349 S351 V511 L512 I513 I544 | Y346-K542 HydrophobicContact CE1-CB 4.06Å; Y346-K542 HydrophobicContact CE1-CD 3.86Å; Y346-K542 HydrophobicContact CE1-CG 4.4Å; Y346-K542 HydrophobicContact CE2-CD 4.44Å; Y346-K542 PolarHBondContact O-NZ 2.86Å; G349-K542 PolarHBondContact O-NZ 3.32Å; S351-K542 PolarHBondContact O-NZ 3.2Å; V511-K542 PolarHBondContact O-N 3Å; L512-K542 HydrophobicContact CD2-CB 3.69Å; L512-K542 HydrophobicContact CD2-CG 3.85Å; I513-K542 PolarHBondContact N-O 2.85Å; K542-I544 HydrophobicContact CB-CD1 4.19Å |
| 543 | L | 93.4 | Very high | 84 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117.5 | -178.7 | 179.3 | 57.6 | 0 | 0 | 0 | 109.2 | Y346 P354 F355 I513 F515 I533 L537 I545 | Y346-L543 PolarHBondContact OH-O 3.24Å; P354-L543 WeakPolarHBondContact CA-O 3.38Å; P354-L543 HydrophobicContact CB-CB 4.49Å; P354-L543 HydrophobicContact CB-CD2 4.42Å; P354-L543 HydrophobicContact CB-CG 4.42Å; F355-L543 PolarHBondContact N-O 3.11Å; I513-L543 HydrophobicContact CB-CD1 3.86Å; I513-L543 HydrophobicContact CG2-CD1 3.69Å; F515-L543 HydrophobicContact CD2-CD1 4.32Å; I533-L543 HydrophobicContact CG2-CD2 4.17Å; L537-L543 HydrophobicContact CD1-CB 3.66Å; L537-L543 HydrophobicContact CD2-CD2 4.45Å; L543-I545 HydrophobicContact CD1-CD1 4.33Å; L543-I545 HydrophobicContact CD1-CG1 4.08Å; L543-I545 HydrophobicContact CD2-CD1 4.05Å; L543-I545 HydrophobicContact CG-CD1 4Å; L543-I545 HydrophobicContact CG-CG1 3.99Å |
| 544 | I | 94.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.5 | 179.5 | -55.2 | 86.4 | 0 | 0 | 0 | 107.2 | Y346 I347 F355 L357 M369 I513 F514 F515 K542 | Y346-I544 HydrophobicContact CD1-CG1 4.4Å; Y346-I544 HydrophobicContact CE1-CD1 4.14Å; Y346-I544 HydrophobicContact CE1-CG1 3.98Å; I347-I544 HydrophobicContact CD1-CD1 4.45Å; F355-I544 HydrophobicContact CB-CG1 4.35Å; F355-I544 HydrophobicContact CD1-CG2 4.26Å; F355-I544 WeakPolarHBondContact O-CA 3.14Å; L357-I544 HydrophobicContact CD1-CG2 3.75Å; M369-I544 HydrophobicContact CE-CB 4.48Å; M369-I544 HydrophobicContact CE-CG2 3.84Å; M369-I544 HydrophobicContact SD-CG2 3.96Å; I513-I544 PolarHBondContact O-N 3.46Å; F514-I544 WeakPolarHBondContact CA-O 2.84Å; F514-I544 HydrophobicContact CD1-CB 3.79Å; F514-I544 HydrophobicContact CD1-CD1 4.06Å; F514-I544 HydrophobicContact CD1-CG1 4.18Å; F514-I544 HydrophobicContact CD1-CG2 4.21Å; F514-I544 HydrophobicContact CE1-CB 4.07Å; F514-I544 HydrophobicContact CE1-CD1 3.68Å; F514-I544 HydrophobicContact CE1-CG1 3.94Å; F514-I544 HydrophobicContact CE1-CG2 4.47Å; F514-I544 HydrophobicContact CZ-CD1 3.96Å; F515-I544 PolarHBondContact N-O 3.08Å; K542-I544 HydrophobicContact CB-CD1 4.19Å |
| 545 | I | 94.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.2 | -175.4 | -54.7 | 178.4 | 0 | 0 | 0 | 109.7 | F355 V356 L357 F515 I518 I533 L543 F558 | F355-I545 PolarHBondContact O-N 3.02Å; V356-I545 WeakPolarHBondContact CA-O 3.38Å; L357-I545 PolarHBondContact N-O 3.25Å; F515-I545 HydrophobicContact CB-CG1 4.42Å; F515-I545 CarbonylContact O-C 3.53Å; F515-I545 VanDerWaalsContact O-CA 3.31Å; F515-I545 WeakPolarHBondContact O-CA 2.91Å; I518-I545 HydrophobicContact CB-CG2 4.03Å; I518-I545 HydrophobicContact CD1-CG2 4.16Å; I518-I545 HydrophobicContact CG2-CG2 4.16Å; I533-I545 HydrophobicContact CD1-CD1 3.59Å; L543-I545 HydrophobicContact CD1-CD1 4.33Å; L543-I545 HydrophobicContact CD1-CG1 4.08Å; L543-I545 HydrophobicContact CD2-CD1 4.05Å; L543-I545 HydrophobicContact CG-CD1 4Å; L543-I545 HydrophobicContact CG-CG1 3.99Å; I545-F558 HydrophobicContact CB-CZ 4.23Å; I545-F558 HydrophobicContact CD1-CE1 3.94Å; I545-F558 HydrophobicContact CD1-CZ 3.75Å; I545-F558 HydrophobicContact CG2-CE2 4.35Å; I545-F558 HydrophobicContact CG2-CZ 3.89Å |
| 546 | S | 93.5 | Very high | 84 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 146.4 | 169.4 | 107.3 | 0 | 0 | 0 | 0 | 113.5 | L357 M369 F515 D516 A517 I518 | L357-S546 CarbonylContact O-C 3.59Å; L357-S546 WeakPolarHBondContact O-CA 2.98Å; L357-S546 WeakPolarHBondContact O-CB 3.33Å; M369-S546 VanDerWaalsContact CE-N 3.34Å; F515-S546 PolarHBondContact O-N 2.8Å; D516-S546 VanDerWaalsContact OD1-CB 3.28Å; D516-S546 WeakPolarHBondContact OD1-CB 3.49Å; D516-S546 PolarHBondContact OD1-OG 3.39Å; A517-S546 WeakPolarHBondContact CA-O 3.29Å; A517-S546 PolarHBondContact N-O 3.49Å; A517-S546 PolarHBondContact N-OG 2.86Å; I518-S546 WeakPolarHBondContact CG2-O 3.1Å; I518-S546 PolarHBondContact N-O 3.14Å |
| 547 | T | 91.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -146.8 | 157.4 | -178.9 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | V356 L357 Y358 K365 I554 L555 | V356-T547 HydrophobicContact CG1-CG2 4.14Å; L357-T547 PolarHBondContact O-N 2.86Å; Y358-T547 WeakPolarHBondContact CA-O 3.33Å; K365-T547 WeakPolarHBondContact CE-O 3.46Å; T547-I554 WeakPolarHBondContact OG1-CG2 3.41Å; T547-L555 HydrophobicContact CG2-CB 4.28Å; T547-L555 HydrophobicContact CG2-CD1 4.26Å | ||
| 548 | L | 87.3 | Confident | 83.6 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | trans | -78.9 | 148.1 | 159.9 | -69.7 | 172.9 | 0 | 0 | 0 | 111.4 | G359 D519 H550 I551 | G359-L548 WeakPolarHBondContact O-CD2 3.43Å; D519-L548 PolarHBondContact OD1-N 3.41Å; L548-H550 PolarHBondContact O-N 2.95Å; L548-I551 HydrophobicContact CB-CD1 3.91Å; L548-I551 HydrophobicContact CB-CG1 4.05Å; L548-I551 HydrophobicContact CD1-CD1 3.51Å; L548-I551 HydrophobicContact CD1-CG1 4.48Å; L548-I551 HydrophobicContact CG-CD1 4.32Å | ||
| 549 | P | 79.7 | Confident | 83.3 | Confident | 22 Ų | 22 | 34.8 Ų | 34.8 | 14% | 0.143 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.3 | -169.1 | 31.9 | -37.7 | 0 | 0 | 0 | 115.4 | Y358 G359 L555 | Y358-P549 HydrophobicContact CD2-CB 4.44Å; G359-P549 WeakPolarHBondContact O-CD 3.46Å; P549-L555 HydrophobicContact CB-CD2 3.71Å |
| 550 | H | 75.2 | Confident | 82.9 | Confident | 161 Ų | 161 | 30.5 Ų | 30.5 | 75% | 0.745 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134.5 | 27.7 | -171.7 | -52.4 | -34.3 | 0 | 0 | 0 | 112.7 | L548 | L548-H550 PolarHBondContact O-N 2.95Š|
| 551 | I | 71.2 | Confident | 82.1 | Confident | 29 Ų | 29 | 31 Ų | 31 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -115.2 | 129.6 | 178.5 | -60.6 | -170.3 | 0 | 0 | 0 | 109.7 | D519 L548 G553 I554 | D519-I551 HydrophobicContact CB-CB 4.29Å; D519-I551 HydrophobicContact CB-CD1 4.19Å; D519-I551 HydrophobicContact CB-CG2 4.06Å; L548-I551 HydrophobicContact CB-CD1 3.91Å; L548-I551 HydrophobicContact CB-CG1 4.05Å; L548-I551 HydrophobicContact CD1-CD1 3.51Å; L548-I551 HydrophobicContact CD1-CG1 4.48Å; L548-I551 HydrophobicContact CG-CD1 4.32Å; I551-G553 PolarHBondContact O-N 2.91Å; I551-I554 HydrophobicContact CG2-CD1 4.29Å; I551-I554 WeakPolarHBondContact O-CB 3.08Å; I551-I554 VanDerWaalsContact O-CG1 3.28Å; I551-I554 WeakPolarHBondContact O-CG1 3.28Å; I551-I554 PolarHBondContact O-N 2.87Å |
| 552 | G | 62.3 | Low | 81.1 | Confident | 47 Ų | 47 | 32.3 Ų | 32.3 | 49% | 0.485 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 13.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | I554 | G552-I554 PolarHBondContact O-N 3.17Š|
| 553 | G | 71.6 | Confident | 79.4 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 9.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I551 L555 D556 N557 | I551-G553 PolarHBondContact O-N 2.91Å; G553-L555 PolarHBondContact O-N 3.36Å; G553-D556 PolarHBondContact O-N 2.71Å; G553-D556 VanDerWaalsContact O-N 3.08Å; G553-N557 WeakPolarHBondContact O-CB 3.46Å; G553-N557 VanDerWaalsContact O-CG 3.27Å; G553-N557 PolarHBondContact O-N 2.93Å; G553-N557 PolarHBondContact O-ND2 3.07Å |
| 554 | I | 81.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | -166.7 | -62.9 | 164.9 | 0 | 0 | 0 | 112.2 | I518 D519 Y528 L530 T547 I551 G552 D556 N557 F558 | I518-I554 HydrophobicContact CG2-CG2 3.81Å; D519-I554 HydrophobicContact CB-CD1 4.04Å; Y528-I554 HydrophobicContact CD1-CD1 3.6Å; Y528-I554 HydrophobicContact CD1-CG1 4.04Å; Y528-I554 HydrophobicContact CD2-CD1 4.14Å; Y528-I554 HydrophobicContact CD2-CG1 4.32Å; Y528-I554 HydrophobicContact CE1-CD1 3.9Å; Y528-I554 HydrophobicContact CE2-CD1 4.39Å; Y528-I554 HydrophobicContact CG-CD1 3.76Å; Y528-I554 HydrophobicContact CG-CG1 3.8Å; L530-I554 HydrophobicContact CD2-CG2 4.48Å; T547-I554 WeakPolarHBondContact OG1-CG2 3.41Å; I551-I554 HydrophobicContact CG2-CD1 4.29Å; I551-I554 WeakPolarHBondContact O-CB 3.08Å; I551-I554 VanDerWaalsContact O-CG1 3.28Å; I551-I554 WeakPolarHBondContact O-CG1 3.28Å; I551-I554 PolarHBondContact O-N 2.87Å; G552-I554 PolarHBondContact O-N 3.17Å; I554-D556 VanDerWaalsContact C-N 3.28Å; I554-D556 PolarHBondContact O-N 2.91Å; I554-N557 PolarHBondContact O-N 3.44Å; I554-F558 HydrophobicContact CG2-CD2 3.86Å; I554-F558 HydrophobicContact CG2-CE2 3.71Å; I554-F558 VanDerWaalsContact O-CD2 3.24Å; I554-F558 WeakPolarHBondContact O-CD2 3.2Å; I554-F558 PolarHBondContact O-N 2.78Å |
| 555 | L | 83.3 | Confident | 73.7 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -33.3 | 178.9 | 179.8 | 60.5 | 0 | 0 | 0 | 112.1 | V356 Y358 T547 P549 G553 F558 R559 F594 | V356-L555 HydrophobicContact CG1-CD1 4.21Å; Y358-L555 HydrophobicContact CD1-CD1 4.24Å; Y358-L555 HydrophobicContact CD2-CD2 3.66Å; Y358-L555 HydrophobicContact CE2-CD2 4.18Å; Y358-L555 HydrophobicContact CG-CD1 4.07Å; Y358-L555 HydrophobicContact CG-CD2 3.95Å; T547-L555 HydrophobicContact CG2-CB 4.28Å; T547-L555 HydrophobicContact CG2-CD1 4.26Å; P549-L555 HydrophobicContact CB-CD2 3.71Å; G553-L555 PolarHBondContact O-N 3.36Å; L555-F558 PolarHBondContact O-N 3.31Å; L555-R559 WeakPolarHBondContact O-CG 3.39Å; L555-R559 PolarHBondContact O-N 3.11Å; L555-R559 VanDerWaalsContact O-N 3.1Å; L555-F594 HydrophobicContact CD1-CD1 4.23Å; L555-F594 HydrophobicContact CD1-CE1 4.23Å |
| 556 | D | 78.7 | Confident | 70.6 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -75.5 | -37.7 | -180 | -56.1 | -44.7 | 0 | 0 | 0 | 110.1 | G553 I554 F558 R559 S560 | G553-D556 PolarHBondContact O-N 2.71Å; G553-D556 VanDerWaalsContact O-N 3.08Å; I554-D556 VanDerWaalsContact C-N 3.28Å; I554-D556 PolarHBondContact O-N 2.91Å; D556-F558 PolarHBondContact O-N 3.06Å; D556-R559 WeakPolarHBondContact O-CB 3.39Å; D556-R559 PolarHBondContact O-N 3.25Å; D556-R559 VanDerWaalsContact O-N 3.11Å; D556-R559 IonicContact OD1-NH1 3.05Å; D556-R559 PolarHBondContact OD1-NH1 3.39Å; D556-S560 PolarHBondContact O-N 3.23Å; D556-S560 PolarHBondContact O-OG 3.36Å |
| 557 | N | 78.5 | Confident | 67.6 | Low | 33 Ų | 33 | 58.4 Ų | 58.4 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 168.6 | -66.2 | -19.6 | 0 | 0 | 0 | 112.5 | Y528 L530 G553 I554 R559 S560 N561 | Y528-N557 PolarHBondContact O-ND2 2.96Å; L530-N557 HydrophobicContact CD1-CB 3.79Å; L530-N557 HydrophobicContact CG-CB 4.36Å; G553-N557 WeakPolarHBondContact O-CB 3.46Å; G553-N557 VanDerWaalsContact O-CG 3.27Å; G553-N557 PolarHBondContact O-N 2.93Å; G553-N557 PolarHBondContact O-ND2 3.07Å; I554-N557 PolarHBondContact O-N 3.44Å; N557-R559 VanDerWaalsContact C-N 3.3Å; N557-S560 WeakPolarHBondContact CA-OG 3.4Å; N557-S560 PolarHBondContact O-OG 3.27Å; N557-S560 VanDerWaalsContact O-OG 3.1Å; N557-N561 VanDerWaalsContact O-CB 3.26Å; N557-N561 WeakPolarHBondContact O-CB 3.45Å; N557-N561 PolarHBondContact O-N 2.92Å; N557-N561 VanDerWaalsContact O-N 3.17Å; N557-N561 PolarHBondContact O-ND2 3.49Å; N557-N561 PolarHBondContact O-OD1 3.31Å |
| 558 | F | 82.2 | Confident | 64.4 | Low | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 171.7 | -89.7 | -69 | 0 | 0 | 0 | 111.2 | V356 I518 L530 I533 I545 I554 L555 D556 F562 F594 | V356-F558 HydrophobicContact CG1-CD2 4.4Å; V356-F558 HydrophobicContact CG1-CG 4.45Å; V356-F558 HydrophobicContact CG2-CB 4.31Å; V356-F558 HydrophobicContact CG2-CD1 3.56Å; V356-F558 HydrophobicContact CG2-CD2 4.47Å; V356-F558 HydrophobicContact CG2-CE1 3.98Å; V356-F558 HydrophobicContact CG2-CG 3.88Å; I518-F558 HydrophobicContact CD1-CE2 4.39Å; I518-F558 HydrophobicContact CD1-CZ 4.23Å; I518-F558 HydrophobicContact CG2-CE2 4.42Å; L530-F558 HydrophobicContact CD1-CB 4.08Å; L530-F558 HydrophobicContact CD1-CD1 3.72Å; L530-F558 HydrophobicContact CD1-CD2 3.41Å; L530-F558 VanDerWaalsContact CD1-CD2 3.41Å; L530-F558 HydrophobicContact CD1-CE1 3.89Å; L530-F558 HydrophobicContact CD1-CE2 3.59Å; L530-F558 HydrophobicContact CD1-CG 3.44Å; L530-F558 VanDerWaalsContact CD1-CG 3.44Å; L530-F558 HydrophobicContact CD1-CZ 3.81Å; L530-F558 HydrophobicContact CD2-CD2 4.37Å; L530-F558 HydrophobicContact CD2-CE1 4.25Å; L530-F558 HydrophobicContact CD2-CE2 3.69Å; L530-F558 HydrophobicContact CD2-CZ 3.59Å; L530-F558 HydrophobicContact CG-CE2 4.3Å; L530-F558 HydrophobicContact CG-CZ 4.35Å; I533-F558 HydrophobicContact CD1-CE1 3.74Å; I533-F558 HydrophobicContact CD1-CZ 3.99Å; I545-F558 HydrophobicContact CB-CZ 4.23Å; I545-F558 HydrophobicContact CD1-CE1 3.94Å; I545-F558 HydrophobicContact CD1-CZ 3.75Å; I545-F558 HydrophobicContact CG2-CE2 4.35Å; I545-F558 HydrophobicContact CG2-CZ 3.89Å; I554-F558 HydrophobicContact CG2-CD2 3.86Å; I554-F558 HydrophobicContact CG2-CE2 3.71Å; I554-F558 VanDerWaalsContact O-CD2 3.24Å; I554-F558 WeakPolarHBondContact O-CD2 3.2Å; I554-F558 PolarHBondContact O-N 2.78Å; L555-F558 PolarHBondContact O-N 3.31Å; D556-F558 PolarHBondContact O-N 3.06Å; F558-F562 AromaticContact CD1-CD2 3.77Å; F558-F562 HydrophobicContact CD1-CD2 3.77Å; F558-F562 AromaticContact CD1-CE2 3.58Å; F558-F562 HydrophobicContact CD1-CE2 3.58Å; F558-F562 HydrophobicContact CE1-CE2 4Å; F558-F562 VanDerWaalsContact O-CD2 3.23Å; F558-F562 WeakPolarHBondContact O-CD2 3.36Å; F558-F594 HydrophobicContact CB-CE1 3.9Å; F558-F594 HydrophobicContact CB-CZ 4.18Å |
| 559 | R | 80.2 | Confident | 61.5 | Low | 72 Ų | 72 | 68 Ų | 68 | 27% | 0.272 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71 | -48.8 | 178.2 | -72.4 | 163.4 | 169.1 | 168.6 | -8 | 111.5 | L555 D556 N557 N561 L563 F594 | L555-R559 WeakPolarHBondContact O-CG 3.39Å; L555-R559 PolarHBondContact O-N 3.11Å; L555-R559 VanDerWaalsContact O-N 3.1Å; D556-R559 WeakPolarHBondContact O-CB 3.39Å; D556-R559 PolarHBondContact O-N 3.25Å; D556-R559 VanDerWaalsContact O-N 3.11Å; D556-R559 IonicContact OD1-NH1 3.05Å; D556-R559 PolarHBondContact OD1-NH1 3.39Å; N557-R559 VanDerWaalsContact C-N 3.3Å; R559-N561 VanDerWaalsContact C-N 3.3Å; R559-N561 PolarHBondContact O-N 3.42Å; R559-L563 HydrophobicContact CB-CD1 3.86Å; R559-L563 HydrophobicContact CG-CD1 4.23Å; R559-L563 WeakPolarHBondContact O-CB 3.47Å; R559-L563 VanDerWaalsContact O-CD1 3.3Å; R559-L563 WeakPolarHBondContact O-CD1 3.44Å; R559-L563 WeakPolarHBondContact O-CG 3.43Å; R559-F594 HydrophobicContact CG-CE1 4Å; R559-F594 HydrophobicContact CG-CZ 4.22Å |
| 560 | S | 73.8 | Confident | 58.8 | Low | 79 Ų | 79 | 72.3 Ų | 72.3 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.1 | -41 | 179.6 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | D556 N557 | D556-S560 PolarHBondContact O-N 3.23Å; D556-S560 PolarHBondContact O-OG 3.36Å; N557-S560 WeakPolarHBondContact CA-OG 3.4Å; N557-S560 PolarHBondContact O-OG 3.27Å; N557-S560 VanDerWaalsContact O-OG 3.1Å |
| 561 | N | 69.3 | Low | 56.3 | Low | 72 Ų | 72 | 72 Ų | 72 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -84.6 | -17.6 | -168.5 | -62.7 | 0.9 | 0 | 0 | 0 | 114.1 | N557 R559 | N557-N561 VanDerWaalsContact O-CB 3.26Å; N557-N561 WeakPolarHBondContact O-CB 3.45Å; N557-N561 PolarHBondContact O-N 2.92Å; N557-N561 VanDerWaalsContact O-N 3.17Å; N557-N561 PolarHBondContact O-ND2 3.49Å; N557-N561 PolarHBondContact O-OD1 3.31Å; R559-N561 VanDerWaalsContact C-N 3.3Å; R559-N561 PolarHBondContact O-N 3.42Å |
| 562 | F | 69.2 | Low | 54.1 | Low | 30 Ų | 30 | 76.9 Ų | 76.9 | 13% | 0.132 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -133.9 | 18.7 | -166.7 | -50.7 | -56 | 0 | 0 | 0 | 115.5 | P354 I533 V535 F558 | P354-F562 HydrophobicContact CG-CD1 4.43Å; P354-F562 HydrophobicContact CG-CD2 3.98Å; P354-F562 HydrophobicContact CG-CE2 4.09Å; P354-F562 HydrophobicContact CG-CG 4.18Å; P354-F562 HydrophobicContact CG-CZ 4.37Å; I533-F562 HydrophobicContact CB-CZ 4.06Å; I533-F562 HydrophobicContact CG2-CE1 4.47Å; I533-F562 HydrophobicContact CG2-CZ 4.01Å; V535-F562 HydrophobicContact CB-CD1 4.3Å; V535-F562 HydrophobicContact CB-CE1 4.23Å; V535-F562 HydrophobicContact CG2-CD1 3.69Å; V535-F562 HydrophobicContact CG2-CE1 3.44Å; V535-F562 VanDerWaalsContact CG2-CE1 3.44Å; V535-F562 HydrophobicContact CG2-CZ 4.37Å; F558-F562 AromaticContact CD1-CD2 3.77Å; F558-F562 HydrophobicContact CD1-CD2 3.77Å; F558-F562 AromaticContact CD1-CE2 3.58Å; F558-F562 HydrophobicContact CD1-CE2 3.58Å; F558-F562 HydrophobicContact CE1-CE2 4Å; F558-F562 VanDerWaalsContact O-CD2 3.23Å; F558-F562 WeakPolarHBondContact O-CD2 3.36Å |
| 563 | L | 56 | Low | 52.3 | Low | 76 Ų | 76 | 82 Ų | 82 | 40% | 0.398 | 49% | 0.493 | S | S | . | . | trans | -107.5 | -0.7 | -179.4 | -71.2 | 178.2 | 0 | 0 | 0 | 115.7 | R559 H565 Y591 F594 | R559-L563 HydrophobicContact CB-CD1 3.86Å; R559-L563 HydrophobicContact CG-CD1 4.23Å; R559-L563 WeakPolarHBondContact O-CB 3.47Å; R559-L563 VanDerWaalsContact O-CD1 3.3Å; R559-L563 WeakPolarHBondContact O-CD1 3.44Å; R559-L563 WeakPolarHBondContact O-CG 3.43Å; L563-H565 VanDerWaalsContact C-N 3.35Å; L563-H565 PolarHBondContact O-N 3.08Å; L563-Y591 HydrophobicContact CD1-CD1 3.91Å; L563-Y591 HydrophobicContact CD1-CE1 3.69Å; L563-Y591 HydrophobicContact CD2-CD1 3.77Å; L563-Y591 HydrophobicContact CD2-CE1 4.36Å; L563-F594 HydrophobicContact CD2-CD2 4.41Å; L563-F594 HydrophobicContact CD2-CE2 3.88Å; L563-F594 HydrophobicContact CG-CE2 4.48Å | ||
| 564 | S | 37 | Very low | 50 | Low | 95 Ų | 95 | 88.3 Ų | 88.3 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | trans | -82.9 | 14.5 | -165.5 | 59.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 565 | H | 32.6 | Very low | 47.3 | Very low | 151 Ų | 151 | 96.8 Ų | 96.8 | 70% | 0.699 | 56% | 0.559 | S | S | * | * | trans | -137.3 | 81.6 | -175.8 | -72.1 | -32.2 | 0 | 0 | 0 | 114.8 | L563 P567 | L563-H565 VanDerWaalsContact C-N 3.35Å; L563-H565 PolarHBondContact O-N 3.08Å; H565-P567 WeakPolarHBondContact O-CD 3.48Å | ||
| 566 | S | 27.5 | Very low | 44.3 | Very low | 113 Ų | 113 | 104.1 Ų | 104.1 | 79% | 0.79 | 59% | 0.593 | S | S | * | * | trans | -98.8 | 104.2 | 160.7 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | S568 | S566-S568 PolarHBondContact O-N 3.37Š| ||
| 567 | P | 30.7 | Very low | 41.8 | Very low | 131 Ų | 131 | 108.2 Ų | 108.2 | 85% | 0.851 | 62% | 0.615 | S | S | * | * | trans | -75.1 | 108.2 | -173 | 28.8 | -34.4 | 0 | 0 | 0 | 112.1 | H565 | H565-P567 WeakPolarHBondContact O-CD 3.48Š| ||
| 568 | S | 25.1 | Very low | 39.2 | Very low | 107 Ų | 107 | 111.9 Ų | 111.9 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | trans | -76.6 | 143.5 | 173.2 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | S566 | S566-S568 PolarHBondContact O-N 3.37Š| ||
| 569 | S | 25.1 | Very low | 36.5 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | trans | 69.6 | 80.5 | 170.5 | 71 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 570 | S | 23.9 | Very low | 34 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | -137.9 | 108.9 | 140.3 | 68.1 | 0 | 0 | 0 | 0 | 109.7 | P572 | S570-P572 WeakPolarHBondContact O-CD 3.4Š| ||
| 571 | L | 22.2 | Very low | 31.7 | Very low | 154 Ų | 154 | 125 Ų | 125 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 127.3 | -172.5 | -76.5 | 80.4 | 0 | 0 | 0 | 111.8 | I573 | L571-I573 PolarHBondContact O-N 3.3Š|
| 572 | P | 25.8 | Very low | 29.6 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121.6 | 170.4 | -20 | 33.2 | 0 | 0 | 0 | 111.3 | S570 | S570-P572 WeakPolarHBondContact O-CD 3.4Š|
| 573 | I | 23.5 | Very low | 27.5 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 120.5 | -179.3 | -66 | 173.6 | 0 | 0 | 0 | 110.5 | L571 | L571-I573 PolarHBondContact O-N 3.3Š|
| 574 | H | 23 | Very low | 26.2 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | trans | 28.1 | 101.6 | 160.8 | -75.3 | -67.5 | 0 | 0 | 0 | 118.7 | ||||
| 575 | L | 25.4 | Very low | 25.8 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | trans | -119.9 | 113.7 | 141.9 | -87.8 | 163.9 | 0 | 0 | 0 | 108.6 | ||||
| 576 | Q | 21.4 | Very low | 25.7 | Very low | 158 Ų | 158 | 137 Ų | 137 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -87.2 | 133.9 | 170.3 | -65.5 | 176 | -51.1 | 0 | 0 | 109.1 | ||||
| 577 | N | 24.4 | Very low | 25.9 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | 173.7 | 156.7 | 118.2 | -88 | -31.6 | 0 | 0 | 0 | 113 | |||||
| 578 | S | 25.9 | Very low | 25.9 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 56.1 | 112.2 | 163.2 | 48.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 579 | D | 24.2 | Very low | 26.4 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -54.3 | 140.2 | 157.5 | -37.2 | -97.4 | 0 | 0 | 0 | 111.3 | ||||
| 580 | D | 27.6 | Very low | 27.5 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -162.5 | 132.1 | 140.1 | -110.3 | -28.4 | 0 | 0 | 0 | 111.6 | ||||
| 581 | S | 25.8 | Very low | 29 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 17.7 | 124 | 169.6 | 60 | 0 | 0 | 0 | 0 | 122 | ||||
| 582 | E | 24.7 | Very low | 31.2 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -51 | 144 | 162.9 | -54.6 | 156.4 | 132.1 | 0 | 0 | 113.7 | ||||
| 583 | N | 26.2 | Very low | 34 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | -176.4 | 119.3 | 136.5 | -104.9 | -75.1 | 0 | 0 | 0 | 112.6 | ||||
| 584 | N | 28.7 | Very low | 37.1 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | 43.3 | 97.3 | 150 | -52.6 | -18.9 | 0 | 0 | 0 | 119.7 | ||||
| 585 | A | 28.8 | Very low | 40.2 | Very low | 94 Ų | 94 | 118.6 Ų | 118.6 | 78% | 0.777 | 67% | 0.666 | S | S | * | * | trans | -107.7 | 130.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 586 | P | 30.7 | Very low | 43.2 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 70% | 0.695 | 64% | 0.637 | S | S | * | * | trans | -91.3 | 141.6 | -175.6 | 33.8 | -34.3 | 0 | 0 | 0 | 114.1 | S588 | P586-S588 PolarHBondContact O-N 3.31Å; P586-S588 PolarHBondContact O-OG 2.88Å | ||
| 587 | D | 31.2 | Very low | 46.3 | Very low | 171 Ų | 171 | 106 Ų | 106 | 91% | 0.914 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -69.8 | 75.4 | -174.6 | -61.8 | -64.7 | 0 | 0 | 0 | 114.4 | ||
| 588 | S | 30.9 | Very low | 49.2 | Very low | 95 Ų | 95 | 105.2 Ų | 105.2 | 66% | 0.664 | 59% | 0.592 | S | S | * | * | trans | -135.6 | 49.3 | -172.6 | 56 | 0 | 0 | 0 | 0 | 114.5 | P586 | P586-S588 PolarHBondContact O-N 3.31Å; P586-S588 PolarHBondContact O-OG 2.88Å | ||
| 589 | L | 36 | Very low | 52 | Low | 149 Ų | 149 | 102.8 Ų | 102.8 | 78% | 0.78 | 57% | 0.572 | S | S | * | * | trans | -134.9 | 23.7 | 178.6 | -96.4 | 172.5 | 0 | 0 | 0 | 115.1 | Y591 | L589-Y591 PolarHBondContact O-N 2.86Å; L589-Y591 VanDerWaalsContact O-N 3.1Å | ||
| 590 | T | 47.9 | Very low | 54.8 | Low | 110 Ų | 110 | 95.8 Ų | 95.8 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -61.2 | -18.7 | -176.1 | 3.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 591 | Y | 55.5 | Low | 57.3 | Low | 103 Ų | 103 | 91.4 Ų | 91.4 | 40% | 0.404 | 51% | 0.511 | S | S | . | . | trans | -139.6 | 84.7 | -175.4 | -53.8 | -67 | 0 | 0 | 0 | 111.8 | L563 L589 N593 F594 | L563-Y591 HydrophobicContact CD1-CD1 3.91Å; L563-Y591 HydrophobicContact CD1-CE1 3.69Å; L563-Y591 HydrophobicContact CD2-CD1 3.77Å; L563-Y591 HydrophobicContact CD2-CE1 4.36Å; L589-Y591 PolarHBondContact O-N 2.86Å; L589-Y591 VanDerWaalsContact O-N 3.1Å; Y591-N593 VanDerWaalsContact C-N 3.33Å; Y591-N593 PolarHBondContact O-N 2.94Å; Y591-F594 PolarHBondContact O-N 3.49Å | ||
| 592 | P | 68.5 | Low | 59.8 | Low | 90 Ų | 90 | 89.9 Ų | 89.9 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.1 | -168.2 | 24.4 | -34.6 | 0 | 0 | 0 | 115.2 | ||
| 593 | N | 83.7 | Confident | 62.4 | Low | 25 Ų | 25 | 84.9 Ų | 84.9 | 13% | 0.134 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 11.6 | -179.8 | -67 | -29.2 | 0 | 0 | 0 | 113.6 | S351 D353 F355 V356 Y591 | S351-N593 PolarHBondContact OG-ND2 2.98Å; S351-N593 PolarHBondContact OG-OD1 3.28Å; D353-N593 PolarHBondContact OD2-ND2 2.64Å; F355-N593 WeakPolarHBondContact CA-O 3.17Å; F355-N593 HydrophobicContact CD2-CB 4.12Å; F355-N593 WeakPolarHBondContact CD2-O 3.28Å; F355-N593 WeakPolarHBondContact CG-O 3.48Å; V356-N593 PolarHBondContact N-O 3.07Å; Y591-N593 VanDerWaalsContact C-N 3.33Å; Y591-N593 PolarHBondContact O-N 2.94Å |
| 594 | F | 88.2 | Confident | 65.1 | Low | 20 Ų | 20 | 80.6 Ų | 80.6 | 9% | 0.088 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.2 | -178.4 | -70.3 | -103.8 | 0 | 0 | 0 | 110.6 | V356 Y358 L555 F558 R559 L563 Y591 | V356-F594 HydrophobicContact CB-CD1 3.7Å; V356-F594 HydrophobicContact CB-CE1 3.86Å; V356-F594 HydrophobicContact CB-CG 4.36Å; V356-F594 HydrophobicContact CG1-CD1 4.1Å; V356-F594 HydrophobicContact CG1-CE1 4.2Å; V356-F594 HydrophobicContact CG2-CD1 4.2Å; V356-F594 HydrophobicContact CG2-CE1 3.86Å; V356-F594 HydrophobicContact CG2-CZ 4.25Å; V356-F594 WeakPolarHBondContact O-CA 3.15Å; Y358-F594 HydrophobicContact CE1-CB 4.09Å; L555-F594 HydrophobicContact CD1-CD1 4.23Å; L555-F594 HydrophobicContact CD1-CE1 4.23Å; F558-F594 HydrophobicContact CB-CE1 3.9Å; F558-F594 HydrophobicContact CB-CZ 4.18Å; R559-F594 HydrophobicContact CG-CE1 4Å; R559-F594 HydrophobicContact CG-CZ 4.22Å; L563-F594 HydrophobicContact CD2-CD2 4.41Å; L563-F594 HydrophobicContact CD2-CE2 3.88Å; L563-F594 HydrophobicContact CG-CE2 4.48Å; Y591-F594 PolarHBondContact O-N 3.49Å |
| 595 | I | 89 | Confident | 67.7 | Low | 29 Ų | 29 | 73.3 Ų | 73.3 | 15% | 0.149 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 137.1 | 175.6 | -162.5 | 168.4 | 0 | 0 | 0 | 112.6 | V339 V342 F355 V356 L357 Y358 | V339-I595 HydrophobicContact CB-CD1 4.39Å; V339-I595 HydrophobicContact CG1-CD1 4.3Å; V339-I595 HydrophobicContact CG1-CG2 4.16Å; V339-I595 HydrophobicContact CG2-CD1 4.2Å; V342-I595 HydrophobicContact CB-CD1 3.92Å; V342-I595 HydrophobicContact CG1-CD1 4.14Å; V342-I595 HydrophobicContact CG2-CD1 3.95Å; F355-I595 HydrophobicContact CE1-CB 4.39Å; F355-I595 HydrophobicContact CE1-CG2 3.57Å; F355-I595 HydrophobicContact CZ-CB 4.11Å; F355-I595 HydrophobicContact CZ-CG2 3.73Å; V356-I595 PolarHBondContact O-N 3.09Å; L357-I595 HydrophobicContact CD2-CG2 3.46Å; L357-I595 VanDerWaalsContact CD2-CG2 3.46Å; L357-I595 HydrophobicContact CG-CG2 4.28Å; Y358-I595 VanDerWaalsContact CD1-O 3.29Å; Y358-I595 WeakPolarHBondContact CD1-O 3.49Å; Y358-I595 PolarHBondContact N-O 3.16Å |
| 596 | E | 88.4 | Confident | 70.4 | Confident | 70 Ų | 70 | 70.8 Ų | 70.8 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121 | 174.7 | -168.2 | -169.3 | -164.7 | 0 | 0 | 110.7 | Y358 K598 | Y358-E596 HydrophobicContact CD2-CB 4.35Å; Y358-E596 HydrophobicContact CD2-CG 4.23Å; Y358-E596 HydrophobicContact CE1-CB 4.3Å; Y358-E596 HydrophobicContact CE2-CB 3.88Å; Y358-E596 HydrophobicContact CE2-CG 4.02Å; Y358-E596 CarbonylContact O-C 3.32Å; Y358-E596 WeakPolarHBondContact O-CA 3.35Å; E596-K598 VanDerWaalsContact C-N 3.31Å; E596-K598 HydrophobicContact CB-CG 4.37Å; E596-K598 HydrophobicContact CG-CG 4.14Å; E596-K598 PolarHBondContact O-N 3.42Å; E596-K598 VanDerWaalsContact OE2-CE 3.23Å; E596-K598 WeakPolarHBondContact OE2-CE 3.29Å; E596-K598 WeakPolarHBondContact OE2-CG 3.4Å |
| 597 | V | 86.9 | Confident | 72.8 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -79.2 | 85.4 | 165.1 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | V339 L357 Y358 S363 K365 V368 | V339-V597 HydrophobicContact CG1-CG2 4.46Å; L357-V597 HydrophobicContact CD2-CG2 3.72Å; Y358-V597 PolarHBondContact O-N 3.21Å; S363-V597 WeakPolarHBondContact CB-O 3.39Å; S363-V597 PolarHBondContact OG-O 3.28Å; K365-V597 HydrophobicContact CG-CB 3.89Å; K365-V597 HydrophobicContact CG-CG1 4.38Å; K365-V597 HydrophobicContact CG-CG2 3.98Å; V368-V597 HydrophobicContact CG2-CG1 4.39Å | ||
| 598 | K | 84.9 | Confident | 75.3 | Confident | 133 Ų | 133 | 63.3 Ų | 63.3 | 58% | 0.578 | 34% | 0.339 | S | S | * | . | trans | -59.6 | 177.8 | 175 | -63.3 | -173.9 | 178.2 | -173.6 | 0 | 112.1 | R336 E596 | R336-K598 VanDerWaalsContact CZ-O 3.31Å; R336-K598 PolarHBondContact NH1-O 2.71Å; R336-K598 PolarHBondContact NH2-O 2.78Å; E596-K598 VanDerWaalsContact C-N 3.31Å; E596-K598 HydrophobicContact CB-CG 4.37Å; E596-K598 HydrophobicContact CG-CG 4.14Å; E596-K598 PolarHBondContact O-N 3.42Å; E596-K598 VanDerWaalsContact OE2-CE 3.23Å; E596-K598 WeakPolarHBondContact OE2-CE 3.29Å; E596-K598 WeakPolarHBondContact OE2-CG 3.4Å | ||
| 599 | V | 83.7 | Confident | 78 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 171.8 | 170.9 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | R336 Q636 L637 | R336-V599 PolarHBondContact NH1-O 2.79Å; R336-V599 PolarHBondContact NH2-O 3Å; V599-Q636 HydrophobicContact CB-CB 4.09Å; V599-Q636 HydrophobicContact CG2-CB 4.35Å; V599-L637 HydrophobicContact CG1-CD2 3.99Å; V599-L637 HydrophobicContact CG1-CG 4.43Å |
| 600 | L | 82.5 | Confident | 80.4 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 165.9 | 166.7 | -70.9 | 168.7 | 0 | 0 | 0 | 109.6 | M604 C605 L608 Q636 I641 | L600-M604 HydrophobicContact CD2-CB 4.2Å; L600-M604 HydrophobicContact CD2-CE 3.93Å; L600-M604 HydrophobicContact CD2-SD 4.49Å; L600-C605 VanDerWaalsContact CB-SG 3.55Å; L600-L608 HydrophobicContact CD1-CD2 4.09Å; L600-Q636 PolarHBondContact N-O 3.32Å; L600-Q636 WeakPolarHBondContact O-CB 3.46Å; L600-Q636 PolarHBondContact O-OE1 2.6Å; L600-I641 HydrophobicContact CD1-CD1 3.84Å |
| 601 | D | 81.8 | Confident | 82 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 169 | 167 | 84.6 | -47.8 | 0 | 0 | 0 | 110.8 | S603 M604 C605 | D601-S603 PolarHBondContact O-N 3.32Å; D601-S603 PolarHBondContact OD1-OG 2.99Å; D601-S603 VanDerWaalsContact OD2-CB 3.23Å; D601-S603 WeakPolarHBondContact OD2-CB 3.05Å; D601-S603 PolarHBondContact OD2-N 3.36Å; D601-S603 VanDerWaalsContact OD2-N 3.07Å; D601-S603 PolarHBondContact OD2-OG 2.96Å; D601-M604 PolarHBondContact O-N 3.37Å; D601-M604 WeakPolarHBondContact OD1-CB 3.07Å; D601-M604 WeakPolarHBondContact OD1-CG 3.3Å; D601-M604 PolarHBondContact OD1-N 3.23Å; D601-C605 WeakPolarHBondContact O-CB 3.35Å; D601-C605 PolarHBondContact O-N 2.97Å; D601-C605 PolarHBondContact O-SG 3.36Å |
| 602 | D | 78.4 | Confident | 83.4 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -33.8 | 179.1 | -68.3 | -29.8 | 0 | 0 | 0 | 113.1 | C605 E606 Q636 | D602-C605 PolarHBondContact O-N 3.47Å; D602-E606 PolarHBondContact O-N 2.73Å; D602-Q636 PolarHBondContact OD1-NE2 3.03Å |
| 603 | S | 78.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 46.2 Ų | 46.2 | 54% | 0.538 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73 | -42.9 | -176.9 | 79 | 0 | 0 | 0 | 0 | 112.3 | D601 C605 E606 Q607 | D601-S603 PolarHBondContact O-N 3.32Å; D601-S603 PolarHBondContact OD1-OG 2.99Å; D601-S603 VanDerWaalsContact OD2-CB 3.23Å; D601-S603 WeakPolarHBondContact OD2-CB 3.05Å; D601-S603 PolarHBondContact OD2-N 3.36Å; D601-S603 VanDerWaalsContact OD2-N 3.07Å; D601-S603 PolarHBondContact OD2-OG 2.96Å; S603-C605 VanDerWaalsContact C-N 3.35Å; S603-E606 PolarHBondContact O-N 3.16Å; S603-Q607 WeakPolarHBondContact O-CB 3.44Å; S603-Q607 PolarHBondContact O-N 2.96Å |
| 604 | M | 81.8 | Confident | 84.2 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.7 | -32.5 | 173.8 | -62.8 | 162 | 79.1 | 0 | 0 | 111.1 | G335 L600 D601 Q607 L608 | G335-M604 VanDerWaalsContact CA-CE 3.49Å; L600-M604 HydrophobicContact CD2-CB 4.2Å; L600-M604 HydrophobicContact CD2-CE 3.93Å; L600-M604 HydrophobicContact CD2-SD 4.49Å; D601-M604 PolarHBondContact O-N 3.37Å; D601-M604 WeakPolarHBondContact OD1-CB 3.07Å; D601-M604 WeakPolarHBondContact OD1-CG 3.3Å; D601-M604 PolarHBondContact OD1-N 3.23Å; M604-Q607 PolarHBondContact O-N 3.33Å; M604-L608 VanDerWaalsContact O-CB 3.23Å; M604-L608 WeakPolarHBondContact O-CB 3.47Å; M604-L608 PolarHBondContact O-N 3.32Å |
| 605 | C | 83.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 171.4 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | L600 D601 D602 S603 L608 L609 L632 I641 | L600-C605 VanDerWaalsContact CB-SG 3.55Å; D601-C605 WeakPolarHBondContact O-CB 3.35Å; D601-C605 PolarHBondContact O-N 2.97Å; D601-C605 PolarHBondContact O-SG 3.36Å; D602-C605 PolarHBondContact O-N 3.47Å; S603-C605 VanDerWaalsContact C-N 3.35Å; C605-L608 PolarHBondContact O-N 3.19Å; C605-L609 WeakPolarHBondContact O-CB 3.46Å; C605-L609 PolarHBondContact O-N 3.1Å; C605-L609 VanDerWaalsContact O-N 3.1Å; C605-L632 HydrophobicContact CB-CD1 3.96Å; C605-L632 HydrophobicContact CB-CD2 4.06Å; C605-L632 HydrophobicContact CB-CG 4.45Å; C605-I641 HydrophobicContact CB-CD1 3.97Å |
| 606 | E | 84.8 | Confident | 83.2 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.8 | -171.4 | -179.5 | 161.2 | 0 | 0 | 111 | D602 S603 R610 W625 K629 | D602-E606 PolarHBondContact O-N 2.73Å; S603-E606 PolarHBondContact O-N 3.16Å; E606-R610 HydrophobicContact CG-CG 4.46Å; E606-R610 WeakPolarHBondContact O-CB 3.35Å; E606-R610 VanDerWaalsContact O-CG 3.24Å; E606-R610 WeakPolarHBondContact O-CG 3.44Å; E606-R610 PolarHBondContact O-N 3.26Å; E606-R610 IonicContact OE1-CZ 3.74Å; E606-R610 IonicContact OE1-NE 3.33Å; E606-R610 PolarHBondContact OE1-NE 3.39Å; E606-R610 IonicContact OE1-NH2 2.76Å; E606-R610 PolarHBondContact OE1-NH2 3.44Å; E606-W625 HydrophobicContact CG-CE3 4.31Å; E606-W625 HydrophobicContact CG-CZ3 3.89Å; E606-K629 IonicContact OE1-NZ 3.84Å; E606-K629 WeakPolarHBondContact OE2-CE 3.47Å; E606-K629 IonicContact OE2-NZ 3.86Å; E606-K629 PolarHBondContact OE2-NZ 2.96Å |
| 607 | Q | 82.9 | Confident | 82.8 | Confident | 110 Ų | 110 | 51.8 Ų | 51.8 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 178.7 | -172.3 | 176.7 | 12.9 | 0 | 0 | 112.3 | S603 M604 R610 T611 | S603-Q607 WeakPolarHBondContact O-CB 3.44Å; S603-Q607 PolarHBondContact O-N 2.96Å; M604-Q607 PolarHBondContact O-N 3.33Å; Q607-R610 WeakPolarHBondContact O-CB 3.4Å; Q607-R610 PolarHBondContact O-N 3.03Å; Q607-T611 PolarHBondContact O-N 3.02Å; Q607-T611 PolarHBondContact O-OG1 2.93Å |
| 608 | L | 83.7 | Confident | 82.9 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 178.6 | 177.1 | 59.4 | 0 | 0 | 0 | 111.2 | E332 L600 M604 C605 R610 T611 R612 T638 I641 | E332-L608 WeakPolarHBondContact O-CD1 3.34Å; L600-L608 HydrophobicContact CD1-CD2 4.09Å; M604-L608 VanDerWaalsContact O-CB 3.23Å; M604-L608 WeakPolarHBondContact O-CB 3.47Å; M604-L608 PolarHBondContact O-N 3.32Å; C605-L608 PolarHBondContact O-N 3.19Å; L608-R610 VanDerWaalsContact C-N 3.32Å; L608-R610 PolarHBondContact O-N 3.01Å; L608-T611 PolarHBondContact O-N 3.21Å; L608-R612 HydrophobicContact CD1-CG 4.22Å; L608-R612 WeakPolarHBondContact O-CD 3.29Å; L608-R612 VanDerWaalsContact O-CG 3.25Å; L608-R612 WeakPolarHBondContact O-CG 3.43Å; L608-R612 PolarHBondContact O-N 3.41Å; L608-R612 VanDerWaalsContact O-N 3.09Å; L608-T638 HydrophobicContact CD2-CG2 4.16Å; L608-I641 HydrophobicContact CD2-CD1 3.89Å; L608-I641 HydrophobicContact CD2-CG2 4.27Å; L608-I641 HydrophobicContact CG-CG2 4.32Å |
| 609 | L | 86.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 178.2 | -176.7 | 57.1 | 0 | 0 | 0 | 112 | C605 L613 W625 V628 I641 V644 E645 V648 | C605-L609 WeakPolarHBondContact O-CB 3.46Å; C605-L609 PolarHBondContact O-N 3.1Å; C605-L609 VanDerWaalsContact O-N 3.1Å; L609-L613 HydrophobicContact CD1-CD1 4.15Å; L609-L613 HydrophobicContact CD1-CG 4.23Å; L609-L613 HydrophobicContact CG-CD1 4.02Å; L609-L613 WeakPolarHBondContact O-CB 3.49Å; L609-L613 WeakPolarHBondContact O-CG 3.5Å; L609-L613 PolarHBondContact O-N 2.95Å; L609-W625 HydrophobicContact CD2-CH2 4.4Å; L609-W625 HydrophobicContact CD2-CZ3 4.23Å; L609-W625 HydrophobicContact CG-CH2 4.29Å; L609-V628 HydrophobicContact CD2-CG1 3.49Å; L609-V628 VanDerWaalsContact CD2-CG1 3.49Å; L609-I641 HydrophobicContact CB-CG2 4.04Å; L609-I641 HydrophobicContact CD1-CG2 4.39Å; L609-V644 HydrophobicContact CD2-CG1 4.25Å; L609-E645 HydrophobicContact CD1-CB 3.66Å; L609-E645 HydrophobicContact CD1-CG 3.89Å; L609-V648 HydrophobicContact CD1-CG2 4.34Å |
| 610 | R | 86.7 | Confident | 83.4 | Confident | 110 Ų | 110 | 46.8 Ų | 46.8 | 42% | 0.415 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 173.3 | -77.6 | 177.9 | 179.4 | -67.8 | -7 | 112.5 | E606 Q607 L608 A614 W625 | E606-R610 HydrophobicContact CG-CG 4.46Å; E606-R610 WeakPolarHBondContact O-CB 3.35Å; E606-R610 VanDerWaalsContact O-CG 3.24Å; E606-R610 WeakPolarHBondContact O-CG 3.44Å; E606-R610 PolarHBondContact O-N 3.26Å; E606-R610 IonicContact OE1-CZ 3.74Å; E606-R610 IonicContact OE1-NE 3.33Å; E606-R610 PolarHBondContact OE1-NE 3.39Å; E606-R610 IonicContact OE1-NH2 2.76Å; E606-R610 PolarHBondContact OE1-NH2 3.44Å; Q607-R610 WeakPolarHBondContact O-CB 3.4Å; Q607-R610 PolarHBondContact O-N 3.03Å; L608-R610 VanDerWaalsContact C-N 3.32Å; L608-R610 PolarHBondContact O-N 3.01Å; R610-A614 WeakPolarHBondContact O-CB 3.32Å; R610-A614 PolarHBondContact O-N 3.16Å; R610-A614 VanDerWaalsContact O-N 3.12Å; R610-W625 HydrophobicContact CG-CH2 3.45Å; R610-W625 VanDerWaalsContact CG-CH2 3.45Å; R610-W625 HydrophobicContact CG-CZ2 3.64Å; R610-W625 HydrophobicContact CG-CZ3 4.34Å |
| 611 | T | 81.9 | Confident | 83.6 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 177 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | H334 Q607 L608 L613 A614 S615 | H334-T611 PolarHBondContact CE1-OG1 2.65Å; H334-T611 WeakPolarHBondContact NE2-CB 3.31Å; H334-T611 WeakPolarHBondContact NE2-CG2 3.36Å; H334-T611 PolarHBondContact NE2-OG1 3.35Å; Q607-T611 PolarHBondContact O-N 3.02Å; Q607-T611 PolarHBondContact O-OG1 2.93Å; L608-T611 PolarHBondContact O-N 3.21Å; T611-L613 PolarHBondContact O-N 3.34Å; T611-A614 WeakPolarHBondContact O-CB 3.45Å; T611-A614 PolarHBondContact O-N 3.24Å; T611-A614 VanDerWaalsContact O-N 3.08Å; T611-S615 PolarHBondContact O-N 2.88Å; T611-S615 PolarHBondContact O-OG 2.71Å |
| 612 | R | 83.3 | Confident | 83.7 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -39.1 | -175.8 | -62.4 | 165.9 | 72.3 | 79.9 | 31.8 | 112.6 | E332 L608 S615 N616 E645 | E332-R612 VanDerWaalsContact CD-NH2 3.28Å; E332-R612 IonicContact OE1-CZ 2.75Å; E332-R612 IonicContact OE1-NE 2.79Å; E332-R612 IonicContact OE1-NH1 3.8Å; E332-R612 PolarHBondContact OE1-NH1 3.46Å; E332-R612 IonicContact OE1-NH2 2.76Å; E332-R612 PolarHBondContact OE1-NH2 3.28Å; E332-R612 IonicContact OE2-CZ 2.75Å; E332-R612 IonicContact OE2-NH1 2.76Å; E332-R612 PolarHBondContact OE2-NH1 2.88Å; E332-R612 IonicContact OE2-NH2 2.77Å; E332-R612 PolarHBondContact OE2-NH2 3.02Å; L608-R612 HydrophobicContact CD1-CG 4.22Å; L608-R612 WeakPolarHBondContact O-CD 3.29Å; L608-R612 VanDerWaalsContact O-CG 3.25Å; L608-R612 WeakPolarHBondContact O-CG 3.43Å; L608-R612 PolarHBondContact O-N 3.41Å; L608-R612 VanDerWaalsContact O-N 3.09Å; R612-S615 WeakPolarHBondContact CA-OG 3.03Å; R612-S615 PolarHBondContact O-OG 3.48Å; R612-N616 WeakPolarHBondContact O-CB 3.37Å; R612-N616 PolarHBondContact O-N 3.44Å; R612-N616 VanDerWaalsContact O-N 3.14Å; R612-N616 PolarHBondContact O-ND2 3.32Å; R612-E645 HydrophobicContact CB-CG 4.21Å; R612-E645 IonicContact CZ-OE2 3.28Å; R612-E645 VanDerWaalsContact CZ-OE2 3.26Å; R612-E645 IonicContact NE-OE2 2.79Å; R612-E645 PolarHBondContact NE-OE2 2.87Å; R612-E645 IonicContact NH2-OE2 2.88Å; R612-E645 PolarHBondContact NH2-OE2 3.47Å |
| 613 | L | 86.2 | Confident | 84 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 169.7 | -75.8 | 168.1 | 0 | 0 | 0 | 111.8 | L609 T611 N616 G617 R618 L620 W625 V648 | L609-L613 HydrophobicContact CD1-CD1 4.15Å; L609-L613 HydrophobicContact CD1-CG 4.23Å; L609-L613 HydrophobicContact CG-CD1 4.02Å; L609-L613 WeakPolarHBondContact O-CB 3.49Å; L609-L613 WeakPolarHBondContact O-CG 3.5Å; L609-L613 PolarHBondContact O-N 2.95Å; T611-L613 PolarHBondContact O-N 3.34Å; L613-N616 CarbonylContact O-C 3.56Å; L613-N616 PolarHBondContact O-N 3.01Å; L613-G617 PolarHBondContact O-N 2.82Å; L613-R618 CarbonylContact C-O 3.55Å; L613-R618 VanDerWaalsContact C-O 3.28Å; L613-R618 HydrophobicContact CB-CB 4.37Å; L613-R618 HydrophobicContact CD2-CB 3.84Å; L613-R618 WeakPolarHBondContact O-CA 3.4Å; L613-R618 PolarHBondContact O-N 3.49Å; L613-R618 VanDerWaalsContact O-O 3.09Å; L613-L620 HydrophobicContact CD1-CD1 3.82Å; L613-L620 HydrophobicContact CD1-CG 3.97Å; L613-W625 HydrophobicContact CD1-CH2 4.18Å; L613-W625 HydrophobicContact CD1-CZ2 4.18Å; L613-V648 HydrophobicContact CD1-CG2 4.35Å; L613-V648 HydrophobicContact CD2-CG2 4.2Å |
| 614 | A | 83.2 | Confident | 84.6 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 45% | 0.446 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67 | -38.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R610 T611 N616 G617 | R610-A614 WeakPolarHBondContact O-CB 3.32Å; R610-A614 PolarHBondContact O-N 3.16Å; R610-A614 VanDerWaalsContact O-N 3.12Å; T611-A614 WeakPolarHBondContact O-CB 3.45Å; T611-A614 PolarHBondContact O-N 3.24Å; T611-A614 VanDerWaalsContact O-N 3.08Å; A614-N616 VanDerWaalsContact C-N 3.3Å; A614-G617 PolarHBondContact O-N 2.73Å; A614-G617 VanDerWaalsContact O-N 3.11Å |
| 615 | S | 79 | Confident | 85 | Confident | 83 Ų | 83 | 39.9 Ų | 39.9 | 58% | 0.58 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.8 | -35.2 | 172.6 | 48.9 | 0 | 0 | 0 | 0 | 112 | T611 R612 G617 | T611-S615 PolarHBondContact O-N 2.88Å; T611-S615 PolarHBondContact O-OG 2.71Å; R612-S615 WeakPolarHBondContact CA-OG 3.03Å; R612-S615 PolarHBondContact O-OG 3.48Å; S615-G617 PolarHBondContact O-N 3.12Å |
| 616 | N | 78.6 | Confident | 85.1 | Confident | 99 Ų | 99 | 40.5 Ų | 40.5 | 53% | 0.529 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 9.8 | 172.3 | -78.3 | -39.6 | 0 | 0 | 0 | 114.4 | R612 L613 A614 R618 E645 | R612-N616 WeakPolarHBondContact O-CB 3.37Å; R612-N616 PolarHBondContact O-N 3.44Å; R612-N616 VanDerWaalsContact O-N 3.14Å; R612-N616 PolarHBondContact O-ND2 3.32Å; L613-N616 CarbonylContact O-C 3.56Å; L613-N616 PolarHBondContact O-N 3.01Å; A614-N616 VanDerWaalsContact C-N 3.3Å; N616-R618 VanDerWaalsContact C-N 3.26Å; N616-R618 PolarHBondContact O-N 3.07Å; N616-E645 PolarHBondContact ND2-OE1 3.02Å |
| 617 | G | 79.5 | Confident | 85.3 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 15.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I124 L613 A614 S615 | I124-G617 WeakPolarHBondContact CG1-O 3.31Å; I124-G617 PolarHBondContact N-O 3.37Å; I124-G617 VanDerWaalsContact N-O 3.08Å; L613-G617 PolarHBondContact O-N 2.82Å; A614-G617 PolarHBondContact O-N 2.73Å; A614-G617 VanDerWaalsContact O-N 3.11Å; S615-G617 PolarHBondContact O-N 3.12Å |
| 618 | R | 89.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 10% | 0.102 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -109.7 | 155.4 | -175.2 | -54.7 | -58.6 | -74.8 | 155.2 | 0.2 | 112.8 | D120 N122 L613 N616 S649 W651 | D120-R618 IonicContact OD1-NH2 3.98Å; D120-R618 IonicContact OD2-CZ 3.69Å; D120-R618 VanDerWaalsContact OD2-CZ 3.27Å; D120-R618 IonicContact OD2-NH1 3.61Å; D120-R618 PolarHBondContact OD2-NH1 2.77Å; D120-R618 IonicContact OD2-NH2 3.67Å; D120-R618 PolarHBondContact OD2-NH2 2.99Å; N122-R618 VanDerWaalsContact C-NH1 3.35Å; N122-R618 CarbonylContact O-C 3.54Å; N122-R618 VanDerWaalsContact O-CA 3.25Å; N122-R618 WeakPolarHBondContact O-CA 3.43Å; N122-R618 PolarHBondContact O-NH1 3.49Å; L613-R618 CarbonylContact C-O 3.55Å; L613-R618 VanDerWaalsContact C-O 3.28Å; L613-R618 HydrophobicContact CB-CB 4.37Å; L613-R618 HydrophobicContact CD2-CB 3.84Å; L613-R618 WeakPolarHBondContact O-CA 3.4Å; L613-R618 PolarHBondContact O-N 3.49Å; L613-R618 VanDerWaalsContact O-O 3.09Å; N616-R618 VanDerWaalsContact C-N 3.26Å; N616-R618 PolarHBondContact O-N 3.07Å; R618-S649 PolarHBondContact NE-O 3.09Å; R618-W651 PolarHBondContact NH2-O 3.24Å |
| 619 | C | 88.8 | Confident | 85.8 | Confident | 49 Ų | 49 | 34.7 Ų | 34.7 | 33% | 0.331 | 20% | 0.197 | S | C | . | . | trans | -140.8 | 176.7 | 161.3 | 67.6 | 0 | 0 | 0 | 0 | 109.6 | K121 N122 | K121-C619 PolarHBondContact O-SG 3.45Å; N122-C619 WeakPolarHBondContact CA-O 3.28Å; N122-C619 WeakPolarHBondContact CB-O 3.22Å; N122-C619 PolarHBondContact O-N 2.96Å; N122-C619 PolarHBondContact OD1-O 3.3Å | ||
| 620 | L | 89.3 | Confident | 85.9 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | trans | -129 | 145.6 | -179.7 | -62.1 | 175.3 | 0 | 0 | 0 | 111.1 | L613 Q624 W625 V628 V648 W651 | L613-L620 HydrophobicContact CD1-CD1 3.82Å; L613-L620 HydrophobicContact CD1-CG 3.97Å; L620-Q624 HydrophobicContact CB-CB 4.06Å; L620-W625 HydrophobicContact CB-CZ2 4.46Å; L620-W625 HydrophobicContact CD1-CZ2 4.24Å; L620-W625 PolarHBondContact O-NE1 2.83Å; L620-V628 HydrophobicContact CD1-CG2 3.94Å; L620-V648 HydrophobicContact CD1-CB 4.05Å; L620-V648 HydrophobicContact CD1-CG2 4.03Å; L620-V648 HydrophobicContact CD2-CB 4.2Å; L620-W651 HydrophobicContact CD2-CB 4.33Å; L620-W651 HydrophobicContact CD2-CE3 4.18Å | ||
| 621 | Q | 87.2 | Confident | 85.9 | Confident | 47 Ų | 47 | 31.1 Ų | 31.1 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | trans | -69.3 | 159.4 | 176.7 | -58.5 | -48.8 | -70.3 | 0 | 0 | 112 | K121 N122 F623 Q624 W625 | K121-Q621 PolarHBondContact O-NE2 2.69Å; K121-Q621 VanDerWaalsContact O-NE2 3.08Å; N122-Q621 WeakPolarHBondContact OD1-CG 3.48Å; N122-Q621 PolarHBondContact OD1-N 3.07Å; N122-Q621 PolarHBondContact OD1-NE2 2.92Å; Q621-F623 VanDerWaalsContact C-N 3.28Å; Q621-F623 PolarHBondContact O-N 2.81Å; Q621-F623 VanDerWaalsContact O-N 3.14Å; Q621-Q624 VanDerWaalsContact N-OE1 3.15Å; Q621-Q624 WeakPolarHBondContact O-CB 3.42Å; Q621-Q624 PolarHBondContact O-N 3.12Å; Q621-W625 PolarHBondContact O-N 2.96Å; Q621-W625 VanDerWaalsContact O-N 3.13Å | ||
| 622 | P | 84.7 | Confident | 86.2 | Confident | 64 Ų | 64 | 28.8 Ų | 28.8 | 42% | 0.416 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -54.4 | -35.9 | -176.1 | -29.7 | 36.9 | 0 | 0 | 0 | 115.3 | K626 | P622-K626 PolarHBondContact O-N 3.38Å |
| 623 | F | 85 | Confident | 86.3 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.5 | -38.7 | 175.7 | 179.7 | -110 | 0 | 0 | 0 | 113.1 | Q621 W625 K626 L627 P657 Y659 I660 C674 A682 | Q621-F623 VanDerWaalsContact C-N 3.28Å; Q621-F623 PolarHBondContact O-N 2.81Å; Q621-F623 VanDerWaalsContact O-N 3.14Å; F623-W625 PolarHBondContact O-N 3.48Å; F623-K626 HydrophobicContact CD2-CD 4.19Å; F623-K626 WeakPolarHBondContact O-CA 3.41Å; F623-K626 WeakPolarHBondContact O-CB 3.24Å; F623-K626 PolarHBondContact O-N 3.09Å; F623-L627 HydrophobicContact CD1-CD1 4.4Å; F623-L627 HydrophobicContact CE1-CD1 3.84Å; F623-L627 HydrophobicContact CE1-CG 4.18Å; F623-L627 HydrophobicContact CZ-CD1 4.36Å; F623-L627 HydrophobicContact CZ-CD2 4.38Å; F623-L627 HydrophobicContact CZ-CG 4.27Å; F623-L627 PolarHBondContact O-N 3Å; F623-P657 HydrophobicContact CE1-CG 3.83Å; F623-P657 HydrophobicContact CZ-CG 4.25Å; F623-Y659 WeakPolarHBondContact CZ-OH 3.47Å; F623-I660 HydrophobicContact CB-CD1 3.64Å; F623-I660 HydrophobicContact CD1-CD1 3.51Å; F623-I660 HydrophobicContact CD2-CD1 3.3Å; F623-I660 HydrophobicContact CE1-CD1 3.95Å; F623-I660 HydrophobicContact CE2-CD1 3.77Å; F623-I660 HydrophobicContact CG-CD1 3.15Å; F623-I660 HydrophobicContact CZ-CD1 4.08Å; F623-C674 VanDerWaalsContact CE2-SG 3.52Å; F623-A682 HydrophobicContact CE1-CB 3.85Å; F623-A682 HydrophobicContact CZ-CB 3.78Å |
| 624 | Q | 90.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -32.9 | 176.9 | -71.6 | 166.8 | -11.2 | 0 | 0 | 110.7 | N122 L620 Q621 K626 L627 V628 W651 K652 H655 L689 | N122-Q624 PolarHBondContact ND2-OE1 2.92Å; N122-Q624 PolarHBondContact OD1-OE1 2.88Å; L620-Q624 HydrophobicContact CB-CB 4.06Å; Q621-Q624 VanDerWaalsContact N-OE1 3.15Å; Q621-Q624 WeakPolarHBondContact O-CB 3.42Å; Q621-Q624 PolarHBondContact O-N 3.12Å; Q624-K626 PolarHBondContact O-N 3.19Å; Q624-L627 PolarHBondContact O-N 2.77Å; Q624-V628 WeakPolarHBondContact O-CG2 3.31Å; Q624-V628 PolarHBondContact O-N 3.49Å; Q624-W651 HydrophobicContact CB-CE3 3.8Å; Q624-W651 HydrophobicContact CB-CZ3 3.81Å; Q624-W651 HydrophobicContact CG-CE3 3.78Å; Q624-W651 HydrophobicContact CG-CZ3 4.06Å; Q624-K652 PolarHBondContact NE2-O 3.39Å; Q624-H655 PolarHBondContact NE2-O 2.86Å; Q624-L689 HydrophobicContact CG-CD2 4.48Å |
| 625 | W | 89.6 | Confident | 86.3 | Confident | 14 Ų | 14 | 34 Ų | 34 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -31.2 | 168.4 | -80.2 | 109.5 | 0 | 0 | 0 | 114.3 | E606 L609 R610 L613 L620 Q621 F623 V628 K629 | E606-W625 HydrophobicContact CG-CE3 4.31Å; E606-W625 HydrophobicContact CG-CZ3 3.89Å; L609-W625 HydrophobicContact CD2-CH2 4.4Å; L609-W625 HydrophobicContact CD2-CZ3 4.23Å; L609-W625 HydrophobicContact CG-CH2 4.29Å; R610-W625 HydrophobicContact CG-CH2 3.45Å; R610-W625 VanDerWaalsContact CG-CH2 3.45Å; R610-W625 HydrophobicContact CG-CZ2 3.64Å; R610-W625 HydrophobicContact CG-CZ3 4.34Å; L613-W625 HydrophobicContact CD1-CH2 4.18Å; L613-W625 HydrophobicContact CD1-CZ2 4.18Å; L620-W625 HydrophobicContact CB-CZ2 4.46Å; L620-W625 HydrophobicContact CD1-CZ2 4.24Å; L620-W625 PolarHBondContact O-NE1 2.83Å; Q621-W625 PolarHBondContact O-N 2.96Å; Q621-W625 VanDerWaalsContact O-N 3.13Å; F623-W625 PolarHBondContact O-N 3.48Å; W625-V628 HydrophobicContact CE3-CB 4.18Å; W625-V628 HydrophobicContact CE3-CG1 3.89Å; W625-V628 HydrophobicContact CZ3-CB 4.5Å; W625-V628 HydrophobicContact CZ3-CG1 3.78Å; W625-V628 PolarHBondContact O-N 3.39Å; W625-K629 WeakPolarHBondContact O-CB 3.38Å; W625-K629 VanDerWaalsContact O-CG 3.3Å; W625-K629 WeakPolarHBondContact O-CG 3.48Å; W625-K629 PolarHBondContact O-N 3.1Å |
| 626 | K | 87.6 | Confident | 86.6 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 173.7 | -59.6 | -167.9 | 80.9 | -155.7 | 0 | 111.6 | P622 F623 Q624 K629 R630 I668 T672 P673 C674 E678 | P622-K626 PolarHBondContact O-N 3.38Å; F623-K626 HydrophobicContact CD2-CD 4.19Å; F623-K626 WeakPolarHBondContact O-CA 3.41Å; F623-K626 WeakPolarHBondContact O-CB 3.24Å; F623-K626 PolarHBondContact O-N 3.09Å; Q624-K626 PolarHBondContact O-N 3.19Å; K626-K629 PolarHBondContact O-N 3.06Å; K626-R630 PolarHBondContact O-N 3.46Å; K626-I668 HydrophobicContact CD-CG2 4.34Å; K626-T672 VanDerWaalsContact CE-O 3.24Å; K626-T672 WeakPolarHBondContact CE-O 3.2Å; K626-P673 WeakPolarHBondContact CE-O 3.42Å; K626-C674 HydrophobicContact CB-CB 4.03Å; K626-C674 PolarHBondContact O-N 3.47Å; K626-E678 IonicContact NZ-OE1 2.72Å; K626-E678 PolarHBondContact NZ-OE1 2.86Å; K626-E678 IonicContact NZ-OE2 3.33Å; K626-E678 PolarHBondContact NZ-OE2 2.93Å |
| 627 | L | 87.5 | Confident | 87 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 176 | -67.4 | 173 | 0 | 0 | 0 | 111.6 | F623 Q624 K629 R630 A631 W651 C674 A679 L689 | F623-L627 HydrophobicContact CD1-CD1 4.4Å; F623-L627 HydrophobicContact CE1-CD1 3.84Å; F623-L627 HydrophobicContact CE1-CG 4.18Å; F623-L627 HydrophobicContact CZ-CD1 4.36Å; F623-L627 HydrophobicContact CZ-CD2 4.38Å; F623-L627 HydrophobicContact CZ-CG 4.27Å; F623-L627 PolarHBondContact O-N 3Å; Q624-L627 PolarHBondContact O-N 2.77Å; L627-K629 VanDerWaalsContact C-N 3.33Å; L627-K629 PolarHBondContact O-N 3.15Å; L627-R630 WeakPolarHBondContact O-CB 3.23Å; L627-R630 PolarHBondContact O-N 3.49Å; L627-A631 PolarHBondContact O-N 2.95Å; L627-W651 HydrophobicContact CB-CH2 4Å; L627-W651 HydrophobicContact CB-CZ3 4.36Å; L627-W651 HydrophobicContact CD1-CH2 4.01Å; L627-W651 HydrophobicContact CD1-CZ3 4.38Å; L627-C674 HydrophobicContact CD2-CB 4.07Å; L627-A679 HydrophobicContact CD2-CB 4.12Å; L627-L689 HydrophobicContact CD1-CB 4.03Å; L627-L689 HydrophobicContact CD1-CD1 4.26Å; L627-L689 HydrophobicContact CD1-CD2 4.45Å; L627-L689 HydrophobicContact CD1-CG 4.49Å |
| 628 | V | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 173.9 | 167.4 | 0 | 0 | 0 | 0 | 111.6 | L609 L620 Q624 W625 R630 A631 L632 V648 W651 L691 | L609-V628 HydrophobicContact CD2-CG1 3.49Å; L609-V628 VanDerWaalsContact CD2-CG1 3.49Å; L620-V628 HydrophobicContact CD1-CG2 3.94Å; Q624-V628 WeakPolarHBondContact O-CG2 3.31Å; Q624-V628 PolarHBondContact O-N 3.49Å; W625-V628 HydrophobicContact CE3-CB 4.18Å; W625-V628 HydrophobicContact CE3-CG1 3.89Å; W625-V628 HydrophobicContact CZ3-CB 4.5Å; W625-V628 HydrophobicContact CZ3-CG1 3.78Å; W625-V628 PolarHBondContact O-N 3.39Å; V628-R630 PolarHBondContact O-N 3.31Å; V628-A631 WeakPolarHBondContact O-CB 3.48Å; V628-A631 PolarHBondContact O-N 2.82Å; V628-A631 VanDerWaalsContact O-N 3.09Å; V628-L632 HydrophobicContact CG1-CD1 3.9Å; V628-L632 HydrophobicContact CG1-CG 4.24Å; V628-L632 WeakPolarHBondContact O-CG 3.41Å; V628-L632 PolarHBondContact O-N 2.81Å; V628-V648 HydrophobicContact CG2-CG1 3.91Å; V628-W651 HydrophobicContact CG2-CZ3 4.28Å; V628-L691 HydrophobicContact CG2-CD1 4.12Å |
| 629 | K | 87.8 | Confident | 86.9 | Confident | 33 Ų | 33 | 28.2 Ų | 28.2 | 14% | 0.143 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -38 | 176.6 | -75.6 | 179.1 | -178.5 | -162.4 | 0 | 112.9 | E606 W625 K626 L627 A631 S633 S670 P673 | E606-K629 IonicContact OE1-NZ 3.84Å; E606-K629 WeakPolarHBondContact OE2-CE 3.47Å; E606-K629 IonicContact OE2-NZ 3.86Å; E606-K629 PolarHBondContact OE2-NZ 2.96Å; W625-K629 WeakPolarHBondContact O-CB 3.38Å; W625-K629 VanDerWaalsContact O-CG 3.3Å; W625-K629 WeakPolarHBondContact O-CG 3.48Å; W625-K629 PolarHBondContact O-N 3.1Å; K626-K629 PolarHBondContact O-N 3.06Å; L627-K629 VanDerWaalsContact C-N 3.33Å; L627-K629 PolarHBondContact O-N 3.15Å; K629-A631 VanDerWaalsContact C-N 3.32Å; K629-A631 PolarHBondContact O-N 3.41Å; K629-S633 WeakPolarHBondContact O-CB 3.24Å; K629-S633 PolarHBondContact O-N 2.95Å; K629-S633 PolarHBondContact O-OG 3.26Å; K629-S670 PolarHBondContact NZ-O 2.94Å; K629-S670 VanDerWaalsContact NZ-O 3.11Å; K629-P673 HydrophobicContact CB-CB 4.15Å |
| 630 | R | 88.3 | Confident | 86.9 | Confident | 33 Ų | 33 | 25.9 Ų | 25.9 | 13% | 0.125 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 170.1 | 172.5 | 178.7 | 169.2 | -91.2 | 4.6 | 111.8 | K626 L627 V628 S633 H634 C674 E676 L693 | K626-R630 PolarHBondContact O-N 3.46Å; L627-R630 WeakPolarHBondContact O-CB 3.23Å; L627-R630 PolarHBondContact O-N 3.49Å; V628-R630 PolarHBondContact O-N 3.31Å; R630-S633 PolarHBondContact O-OG 3.31Å; R630-H634 PolarHBondContact O-ND1 3.15Å; R630-C674 HydrophobicContact CB-CB 4.24Å; R630-E676 IonicContact CZ-OE1 3.6Å; R630-E676 IonicContact CZ-OE2 3.34Å; R630-E676 IonicContact NE-OE1 3.59Å; R630-E676 IonicContact NE-OE2 2.66Å; R630-E676 PolarHBondContact NE-OE2 3.07Å; R630-E676 VanDerWaalsContact NH2-CD 3.28Å; R630-E676 IonicContact NH2-OE1 2.71Å; R630-E676 PolarHBondContact NH2-OE1 3.25Å; R630-E676 IonicContact NH2-OE2 3.21Å; R630-E676 PolarHBondContact NH2-OE2 3.44Å; R630-L693 HydrophobicContact CG-CD2 4.3Å |
| 631 | A | 88.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.2 | -48.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L627 V628 K629 S633 H634 C635 F640 L691 | L627-A631 PolarHBondContact O-N 2.95Å; V628-A631 WeakPolarHBondContact O-CB 3.48Å; V628-A631 PolarHBondContact O-N 2.82Å; V628-A631 VanDerWaalsContact O-N 3.09Å; K629-A631 VanDerWaalsContact C-N 3.32Å; K629-A631 PolarHBondContact O-N 3.41Å; A631-S633 PolarHBondContact O-N 3.05Å; A631-H634 PolarHBondContact O-N 2.81Å; A631-H634 VanDerWaalsContact O-N 3.15Å; A631-C635 PolarHBondContact O-N 2.95Å; A631-F640 HydrophobicContact CB-CE1 4.13Å; A631-F640 HydrophobicContact CB-CZ 4.05Å; A631-F640 WeakPolarHBondContact O-CE1 3.37Å; A631-L691 HydrophobicContact CB-CB 4.17Å; A631-L691 HydrophobicContact CB-CD1 3.89Å |
| 632 | L | 87.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -38.6 | -178.4 | -66.5 | 177.5 | 0 | 0 | 0 | 112.6 | C605 V628 H634 C635 Q636 I641 | C605-L632 HydrophobicContact CB-CD1 3.96Å; C605-L632 HydrophobicContact CB-CD2 4.06Å; C605-L632 HydrophobicContact CB-CG 4.45Å; V628-L632 HydrophobicContact CG1-CD1 3.9Å; V628-L632 HydrophobicContact CG1-CG 4.24Å; V628-L632 WeakPolarHBondContact O-CG 3.41Å; V628-L632 PolarHBondContact O-N 2.81Å; L632-H634 PolarHBondContact O-N 2.96Å; L632-H634 VanDerWaalsContact O-N 3.1Å; L632-C635 CarbonylContact O-C 3.52Å; L632-C635 PolarHBondContact O-N 2.9Å; L632-C635 VanDerWaalsContact O-N 3.11Å; L632-Q636 WeakPolarHBondContact O-CG 3.21Å; L632-I641 HydrophobicContact CD2-CG1 4.12Å |
| 633 | S | 84.7 | Confident | 86.6 | Confident | 65 Ų | 65 | 23.1 Ų | 23.1 | 46% | 0.455 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.2 | 177.5 | 73.6 | 0 | 0 | 0 | 0 | 114.3 | K629 R630 A631 | K629-S633 WeakPolarHBondContact O-CB 3.24Å; K629-S633 PolarHBondContact O-N 2.95Å; K629-S633 PolarHBondContact O-OG 3.26Å; R630-S633 PolarHBondContact O-OG 3.31Å; A631-S633 PolarHBondContact O-N 3.05Å |
| 634 | H | 85.4 | Confident | 86.7 | Confident | 109 Ų | 109 | 22.8 Ų | 22.8 | 51% | 0.505 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -24.9 | 172.8 | -71.3 | 84.8 | 0 | 0 | 0 | 112.8 | R630 A631 L632 L693 | R630-H634 PolarHBondContact O-ND1 3.15Å; A631-H634 PolarHBondContact O-N 2.81Å; A631-H634 VanDerWaalsContact O-N 3.15Å; L632-H634 PolarHBondContact O-N 2.96Å; L632-H634 VanDerWaalsContact O-N 3.1Å; H634-L693 HydrophobicContact CB-CB 3.97Å; H634-L693 HydrophobicContact CB-CD2 4.41Å; H634-L693 WeakPolarHBondContact CB-O 3.36Å |
| 635 | C | 85.4 | Confident | 86.5 | Confident | 16 Ų | 16 | 23.2 Ų | 23.2 | 11% | 0.108 | 12% | 0.121 | C | C | . | . | trans | -150.6 | 112.6 | 179.9 | -161.7 | 0 | 0 | 0 | 0 | 112.9 | A631 L632 F640 | A631-C635 PolarHBondContact O-N 2.95Å; L632-C635 CarbonylContact O-C 3.52Å; L632-C635 PolarHBondContact O-N 2.9Å; L632-C635 VanDerWaalsContact O-N 3.11Å; C635-F640 HydrophobicContact CB-CB 4.41Å; C635-F640 HydrophobicContact CB-CD1 3.7Å; C635-F640 HydrophobicContact CB-CD2 4.1Å; C635-F640 HydrophobicContact CB-CE1 3.8Å; C635-F640 HydrophobicContact CB-CE2 4.2Å; C635-F640 HydrophobicContact CB-CG 3.83Å; C635-F640 HydrophobicContact CB-CZ 4.04Å; C635-F640 WeakPolarHBondContact O-CD1 3.48Å; C635-F640 WeakPolarHBondContact O-CE1 3.42Å | ||
| 636 | Q | 85.3 | Confident | 86.2 | Confident | 57 Ų | 57 | 26.8 Ų | 26.8 | 27% | 0.266 | 14% | 0.135 | S | C | . | . | trans | -103.7 | 21.4 | -176.7 | -62.7 | 166.3 | -27.4 | 0 | 0 | 113.2 | V599 L600 D602 L632 | V599-Q636 HydrophobicContact CB-CB 4.09Å; V599-Q636 HydrophobicContact CG2-CB 4.35Å; L600-Q636 PolarHBondContact N-O 3.32Å; L600-Q636 WeakPolarHBondContact O-CB 3.46Å; L600-Q636 PolarHBondContact O-OE1 2.6Å; D602-Q636 PolarHBondContact OD1-NE2 3.03Å; L632-Q636 WeakPolarHBondContact O-CG 3.21Å | ||
| 637 | L | 85.4 | Confident | 86.1 | Confident | 23 Ų | 23 | 27.7 Ų | 27.7 | 12% | 0.12 | 14% | 0.142 | C | C | . | . | trans | -79.1 | 135.6 | 177.6 | -73.7 | 168 | 0 | 0 | 0 | 110.6 | V599 L639 F640 I641 V695 | V599-L637 HydrophobicContact CG1-CD2 3.99Å; V599-L637 HydrophobicContact CG1-CG 4.43Å; L637-L639 PolarHBondContact O-N 2.84Å; L637-F640 HydrophobicContact CB-CB 4.31Å; L637-F640 WeakPolarHBondContact O-CA 3.21Å; L637-F640 VanDerWaalsContact O-CB 3.26Å; L637-F640 WeakPolarHBondContact O-CB 3.35Å; L637-F640 PolarHBondContact O-N 2.61Å; L637-I641 PolarHBondContact O-N 3.47Å; L637-V695 HydrophobicContact CB-CG2 4.16Å; L637-V695 HydrophobicContact CD1-CG2 3.74Å | ||
| 638 | T | 83.6 | Confident | 86.1 | Confident | 22 Ų | 22 | 27.5 Ų | 27.5 | 14% | 0.135 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -37.4 | -179.4 | -45.4 | 0 | 0 | 0 | 0 | 112.4 | G362 S363 L608 F640 I641 V642 | G362-T638 WeakPolarHBondContact O-CA 3.23Å; G362-T638 WeakPolarHBondContact O-CB 3.38Å; G362-T638 PolarHBondContact O-N 2.93Å; S363-T638 PolarHBondContact O-OG1 3.38Å; L608-T638 HydrophobicContact CD2-CG2 4.16Å; T638-F640 VanDerWaalsContact C-N 3.32Å; T638-F640 PolarHBondContact O-N 2.85Å; T638-I641 WeakPolarHBondContact O-CB 3.47Å; T638-I641 PolarHBondContact O-N 3.17Å; T638-V642 PolarHBondContact O-N 3.37Å |
| 639 | L | 84 | Confident | 85.9 | Confident | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63 | -35.3 | 174 | 179.2 | 57.8 | 0 | 0 | 0 | 113 | G362 L637 I641 V642 L643 V695 H790 Q792 F793 | G362-L639 PolarHBondContact O-N 2.88Å; L637-L639 PolarHBondContact O-N 2.84Å; L639-I641 VanDerWaalsContact C-N 3.33Å; L639-V642 PolarHBondContact O-N 3.39Å; L639-L643 HydrophobicContact CD1-CD1 4.48Å; L639-L643 HydrophobicContact CG-CD1 4.23Å; L639-L643 WeakPolarHBondContact O-CG 3.43Å; L639-L643 PolarHBondContact O-N 3.26Å; L639-L643 VanDerWaalsContact O-N 3.14Å; L639-V695 HydrophobicContact CD2-CG1 4.14Å; L639-H790 HydrophobicContact CD2-CB 4.44Å; L639-Q792 HydrophobicContact CD2-CB 4.42Å; L639-F793 HydrophobicContact CD1-CE2 4.4Å |
| 640 | F | 88.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 175.5 | -178.6 | -107.5 | 0 | 0 | 0 | 111.3 | A631 C635 L637 T638 V642 L643 V644 A692 V695 A698 | A631-F640 HydrophobicContact CB-CE1 4.13Å; A631-F640 HydrophobicContact CB-CZ 4.05Å; A631-F640 WeakPolarHBondContact O-CE1 3.37Å; C635-F640 HydrophobicContact CB-CB 4.41Å; C635-F640 HydrophobicContact CB-CD1 3.7Å; C635-F640 HydrophobicContact CB-CD2 4.1Å; C635-F640 HydrophobicContact CB-CE1 3.8Å; C635-F640 HydrophobicContact CB-CE2 4.2Å; C635-F640 HydrophobicContact CB-CG 3.83Å; C635-F640 HydrophobicContact CB-CZ 4.04Å; C635-F640 WeakPolarHBondContact O-CD1 3.48Å; C635-F640 WeakPolarHBondContact O-CE1 3.42Å; L637-F640 HydrophobicContact CB-CB 4.31Å; L637-F640 WeakPolarHBondContact O-CA 3.21Å; L637-F640 VanDerWaalsContact O-CB 3.26Å; L637-F640 WeakPolarHBondContact O-CB 3.35Å; L637-F640 PolarHBondContact O-N 2.61Å; T638-F640 VanDerWaalsContact C-N 3.32Å; T638-F640 PolarHBondContact O-N 2.85Å; F640-V642 VanDerWaalsContact C-N 3.34Å; F640-V642 PolarHBondContact O-N 2.8Å; F640-L643 PolarHBondContact O-N 3.43Å; F640-V644 HydrophobicContact CD1-CG2 3.93Å; F640-V644 HydrophobicContact CD2-CG2 4.3Å; F640-V644 HydrophobicContact CE1-CG2 3.63Å; F640-V644 HydrophobicContact CE2-CG2 4Å; F640-V644 HydrophobicContact CG-CG2 4.28Å; F640-V644 HydrophobicContact CZ-CG2 3.67Å; F640-V644 WeakPolarHBondContact O-CB 3.49Å; F640-V644 WeakPolarHBondContact O-CG2 3.34Å; F640-V644 PolarHBondContact O-N 2.76Å; F640-A692 VanDerWaalsContact CE2-O 3.28Å; F640-A692 WeakPolarHBondContact CE2-O 3.3Å; F640-A692 WeakPolarHBondContact CZ-O 3.27Å; F640-V695 HydrophobicContact CB-CG2 3.81Å; F640-V695 HydrophobicContact CD2-CG2 4.45Å; F640-A698 HydrophobicContact CD2-CB 4.11Å; F640-A698 HydrophobicContact CE2-CB 4.14Å |
| 641 | I | 86 | Confident | 85.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 178.1 | -56.7 | 168.3 | 0 | 0 | 0 | 111.1 | L600 C605 L608 L609 L632 L637 T638 L639 V644 E645 | L600-I641 HydrophobicContact CD1-CD1 3.84Å; C605-I641 HydrophobicContact CB-CD1 3.97Å; L608-I641 HydrophobicContact CD2-CD1 3.89Å; L608-I641 HydrophobicContact CD2-CG2 4.27Å; L608-I641 HydrophobicContact CG-CG2 4.32Å; L609-I641 HydrophobicContact CB-CG2 4.04Å; L609-I641 HydrophobicContact CD1-CG2 4.39Å; L632-I641 HydrophobicContact CD2-CG1 4.12Å; L637-I641 PolarHBondContact O-N 3.47Å; T638-I641 WeakPolarHBondContact O-CB 3.47Å; T638-I641 PolarHBondContact O-N 3.17Å; L639-I641 VanDerWaalsContact C-N 3.33Å; I641-V644 PolarHBondContact O-N 2.85Å; I641-E645 WeakPolarHBondContact O-CB 3.14Å; I641-E645 PolarHBondContact O-N 2.98Å |
| 642 | V | 83.1 | Confident | 85.2 | Confident | 54 Ų | 54 | 33.4 Ų | 33.4 | 33% | 0.327 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | T638 L639 F640 R646 | T638-V642 PolarHBondContact O-N 3.37Å; L639-V642 PolarHBondContact O-N 3.39Å; F640-V642 VanDerWaalsContact C-N 3.34Å; F640-V642 PolarHBondContact O-N 2.8Å; V642-R646 PolarHBondContact O-N 3.37Å; V642-R646 VanDerWaalsContact O-N 3.14Å |
| 643 | L | 86.4 | Confident | 85.1 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 176.2 | -69.8 | 166.6 | 0 | 0 | 0 | 112.1 | L639 F640 R646 V647 V695 A698 I699 F793 | L639-L643 HydrophobicContact CD1-CD1 4.48Å; L639-L643 HydrophobicContact CG-CD1 4.23Å; L639-L643 WeakPolarHBondContact O-CG 3.43Å; L639-L643 PolarHBondContact O-N 3.26Å; L639-L643 VanDerWaalsContact O-N 3.14Å; F640-L643 PolarHBondContact O-N 3.43Å; L643-R646 WeakPolarHBondContact O-CB 3.48Å; L643-R646 PolarHBondContact O-N 2.9Å; L643-V647 PolarHBondContact O-N 2.71Å; L643-V695 HydrophobicContact CD1-CG1 4.42Å; L643-A698 HydrophobicContact CB-CB 3.94Å; L643-A698 HydrophobicContact CD1-CB 3.96Å; L643-I699 HydrophobicContact CD1-CD1 4.4Å; L643-I699 HydrophobicContact CD1-CG1 3.64Å; L643-I699 HydrophobicContact CD2-CG1 4.44Å; L643-F793 HydrophobicContact CD2-CZ 4.05Å |
| 644 | V | 88 | Confident | 85.1 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 175.1 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | L609 F640 I641 R646 V647 V648 L691 | L609-V644 HydrophobicContact CD2-CG1 4.25Å; F640-V644 HydrophobicContact CD1-CG2 3.93Å; F640-V644 HydrophobicContact CD2-CG2 4.3Å; F640-V644 HydrophobicContact CE1-CG2 3.63Å; F640-V644 HydrophobicContact CE2-CG2 4Å; F640-V644 HydrophobicContact CG-CG2 4.28Å; F640-V644 HydrophobicContact CZ-CG2 3.67Å; F640-V644 WeakPolarHBondContact O-CB 3.49Å; F640-V644 WeakPolarHBondContact O-CG2 3.34Å; F640-V644 PolarHBondContact O-N 2.76Å; I641-V644 PolarHBondContact O-N 2.85Å; V644-R646 PolarHBondContact O-N 3.22Å; V644-V647 PolarHBondContact O-N 2.91Å; V644-V648 HydrophobicContact CG1-CG1 4.02Å; V644-V648 HydrophobicContact CG1-CG2 4.41Å; V644-V648 WeakPolarHBondContact O-CG2 3.36Å; V644-V648 PolarHBondContact O-N 3.11Å; V644-L691 HydrophobicContact CG1-CD1 4.36Å; V644-L691 HydrophobicContact CG1-CD2 4.5Å |
| 645 | E | 85.6 | Confident | 85.1 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 5% | 0.051 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -51.2 | -44.4 | 174.5 | -168.2 | -151.7 | 160.2 | 0 | 0 | 111.5 | L609 R612 N616 I641 V647 V648 S649 | L609-E645 HydrophobicContact CD1-CB 3.66Å; L609-E645 HydrophobicContact CD1-CG 3.89Å; R612-E645 HydrophobicContact CB-CG 4.21Å; R612-E645 IonicContact CZ-OE2 3.28Å; R612-E645 VanDerWaalsContact CZ-OE2 3.26Å; R612-E645 IonicContact NE-OE2 2.79Å; R612-E645 PolarHBondContact NE-OE2 2.87Å; R612-E645 IonicContact NH2-OE2 2.88Å; R612-E645 PolarHBondContact NH2-OE2 3.47Å; N616-E645 PolarHBondContact ND2-OE1 3.02Å; I641-E645 WeakPolarHBondContact O-CB 3.14Å; I641-E645 PolarHBondContact O-N 2.98Å; E645-V647 VanDerWaalsContact C-N 3.26Å; E645-V647 PolarHBondContact O-N 3.38Å; E645-V648 PolarHBondContact O-N 3.49Å; E645-S649 WeakPolarHBondContact O-CB 3.5Å; E645-S649 PolarHBondContact O-N 2.87Å; E645-S649 PolarHBondContact O-OG 2.83Å |
| 646 | R | 83.1 | Confident | 84.9 | Confident | 89 Ų | 89 | 29.8 Ų | 29.8 | 34% | 0.336 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.6 | -28.4 | 179.8 | -167.6 | 170.1 | -167.8 | 167.4 | 8.2 | 113.8 | V642 L643 V644 S649 F702 A770 | V642-R646 PolarHBondContact O-N 3.37Å; V642-R646 VanDerWaalsContact O-N 3.14Å; L643-R646 WeakPolarHBondContact O-CB 3.48Å; L643-R646 PolarHBondContact O-N 2.9Å; V644-R646 PolarHBondContact O-N 3.22Å; R646-S649 PolarHBondContact O-OG 2.9Å; R646-F702 VanDerWaalsContact CZ-CE2 3.42Å; R646-A770 PolarHBondContact NH1-O 3.38Å; R646-A770 PolarHBondContact NH2-O 2.97Å |
| 647 | V | 84.5 | Confident | 84.7 | Confident | 33 Ų | 33 | 27 Ų | 27 | 20% | 0.2 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -83 | -52.4 | 172.7 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | L643 V644 E645 S649 Q650 L691 | L643-V647 PolarHBondContact O-N 2.71Å; V644-V647 PolarHBondContact O-N 2.91Å; E645-V647 VanDerWaalsContact C-N 3.26Å; E645-V647 PolarHBondContact O-N 3.38Å; V647-S649 VanDerWaalsContact C-N 3.33Å; V647-S649 PolarHBondContact O-N 2.97Å; V647-Q650 WeakPolarHBondContact O-CB 3.48Å; V647-Q650 PolarHBondContact O-N 3.01Å; V647-Q650 VanDerWaalsContact O-N 3.11Å; V647-L691 HydrophobicContact CB-CD2 4.12Å; V647-L691 HydrophobicContact CG1-CD2 3.8Å |
| 648 | V | 87.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.4 | -22.6 | -172.5 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | L609 L613 L620 V628 V644 E645 Q650 W651 L691 | L609-V648 HydrophobicContact CD1-CG2 4.34Å; L613-V648 HydrophobicContact CD1-CG2 4.35Å; L613-V648 HydrophobicContact CD2-CG2 4.2Å; L620-V648 HydrophobicContact CD1-CB 4.05Å; L620-V648 HydrophobicContact CD1-CG2 4.03Å; L620-V648 HydrophobicContact CD2-CB 4.2Å; V628-V648 HydrophobicContact CG2-CG1 3.91Å; V644-V648 HydrophobicContact CG1-CG1 4.02Å; V644-V648 HydrophobicContact CG1-CG2 4.41Å; V644-V648 WeakPolarHBondContact O-CG2 3.36Å; V644-V648 PolarHBondContact O-N 3.11Å; E645-V648 PolarHBondContact O-N 3.49Å; V648-Q650 PolarHBondContact O-N 2.81Å; V648-W651 HydrophobicContact CB-CD2 4.04Å; V648-W651 HydrophobicContact CB-CE3 3.98Å; V648-W651 HydrophobicContact CB-CG 4.46Å; V648-W651 HydrophobicContact CB-CZ3 4.43Å; V648-W651 HydrophobicContact CG1-CD2 3.9Å; V648-W651 HydrophobicContact CG1-CE3 3.77Å; V648-W651 HydrophobicContact CG1-CH2 3.88Å; V648-W651 HydrophobicContact CG1-CZ2 3.98Å; V648-W651 HydrophobicContact CG1-CZ3 3.75Å; V648-W651 VanDerWaalsContact O-CB 3.31Å; V648-W651 WeakPolarHBondContact O-CB 3.12Å; V648-W651 PolarHBondContact O-N 2.86Å; V648-L691 HydrophobicContact CG1-CD1 4.15Å; V648-L691 HydrophobicContact CG1-CD2 3.84Å |
| 649 | S | 84.7 | Confident | 84.1 | Confident | 32 Ų | 32 | 31.8 Ų | 31.8 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.2 | 170.5 | 52 | 0 | 0 | 0 | 0 | 112.5 | R618 E645 R646 V647 W651 | R618-S649 PolarHBondContact NE-O 3.09Å; E645-S649 WeakPolarHBondContact O-CB 3.5Å; E645-S649 PolarHBondContact O-N 2.87Å; E645-S649 PolarHBondContact O-OG 2.83Å; R646-S649 PolarHBondContact O-OG 2.9Å; V647-S649 VanDerWaalsContact C-N 3.33Å; V647-S649 PolarHBondContact O-N 2.97Å; S649-W651 VanDerWaalsContact C-N 3.35Å |
| 650 | Q | 79.6 | Confident | 83.6 | Confident | 121 Ų | 121 | 32.4 Ų | 32.4 | 57% | 0.565 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -18 | 174.8 | -54.4 | -173.6 | 11.4 | 0 | 0 | 112.9 | V647 V648 K652 | V647-Q650 WeakPolarHBondContact O-CB 3.48Å; V647-Q650 PolarHBondContact O-N 3.01Å; V647-Q650 VanDerWaalsContact O-N 3.11Å; V648-Q650 PolarHBondContact O-N 2.81Å; Q650-K652 PolarHBondContact O-N 2.93Å |
| 651 | W | 86.1 | Confident | 82.7 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | trans | -65.1 | 133.7 | -179 | -69.5 | -2.4 | 0 | 0 | 0 | 112 | N122 R618 L620 Q624 L627 V628 V648 S649 N688 L689 L691 | N122-W651 PolarHBondContact ND2-O 3.21Å; R618-W651 PolarHBondContact NH2-O 3.24Å; L620-W651 HydrophobicContact CD2-CB 4.33Å; L620-W651 HydrophobicContact CD2-CE3 4.18Å; Q624-W651 HydrophobicContact CB-CE3 3.8Å; Q624-W651 HydrophobicContact CB-CZ3 3.81Å; Q624-W651 HydrophobicContact CG-CE3 3.78Å; Q624-W651 HydrophobicContact CG-CZ3 4.06Å; L627-W651 HydrophobicContact CB-CH2 4Å; L627-W651 HydrophobicContact CB-CZ3 4.36Å; L627-W651 HydrophobicContact CD1-CH2 4.01Å; L627-W651 HydrophobicContact CD1-CZ3 4.38Å; V628-W651 HydrophobicContact CG2-CZ3 4.28Å; V648-W651 HydrophobicContact CB-CD2 4.04Å; V648-W651 HydrophobicContact CB-CE3 3.98Å; V648-W651 HydrophobicContact CB-CG 4.46Å; V648-W651 HydrophobicContact CB-CZ3 4.43Å; V648-W651 HydrophobicContact CG1-CD2 3.9Å; V648-W651 HydrophobicContact CG1-CE3 3.77Å; V648-W651 HydrophobicContact CG1-CH2 3.88Å; V648-W651 HydrophobicContact CG1-CZ2 3.98Å; V648-W651 HydrophobicContact CG1-CZ3 3.75Å; V648-W651 VanDerWaalsContact O-CB 3.31Å; V648-W651 WeakPolarHBondContact O-CB 3.12Å; V648-W651 PolarHBondContact O-N 2.86Å; S649-W651 VanDerWaalsContact C-N 3.35Å; W651-N688 PolarHBondContact NE1-O 3.31Å; W651-L689 HydrophobicContact CD2-CD2 3.86Å; W651-L689 HydrophobicContact CE3-CD2 4.16Å; W651-L689 HydrophobicContact CG-CD2 4.27Å; W651-L689 HydrophobicContact CH2-CD2 4.35Å; W651-L689 HydrophobicContact CZ2-CB 4.41Å; W651-L689 HydrophobicContact CZ2-CD2 4.08Å; W651-L689 WeakPolarHBondContact CZ2-O 3.34Å; W651-L689 HydrophobicContact CZ3-CD2 4.4Å; W651-L691 HydrophobicContact CH2-CD1 3.63Å; W651-L691 HydrophobicContact CH2-CD2 4.09Å; W651-L691 HydrophobicContact CH2-CG 3.71Å; W651-L691 HydrophobicContact CZ2-CD1 4.09Å; W651-L691 HydrophobicContact CZ2-CD2 3.67Å; W651-L691 HydrophobicContact CZ2-CG 3.66Å | ||
| 652 | K | 85 | Confident | 82 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 15% | 0.152 | 21% | 0.211 | C | C | . | . | trans | -102.1 | 153.4 | 179.2 | -59.8 | -62.9 | -168.8 | -179.9 | 0 | 110.6 | D120 H129 Q624 Q650 W654 H655 | D120-K652 HydrophobicContact CB-CD 4.39Å; D120-K652 VanDerWaalsContact CG-CD 3.5Å; D120-K652 WeakPolarHBondContact OD1-CA 3.19Å; D120-K652 WeakPolarHBondContact OD2-CD 3.41Å; D120-K652 IonicContact OD2-NZ 2.99Å; D120-K652 PolarHBondContact OD2-NZ 3.06Å; H129-K652 PolarHBondContact CE1-NZ 2.88Å; H129-K652 VanDerWaalsContact CE1-NZ 3.34Å; H129-K652 PolarHBondContact ND1-NZ 3.17Å; Q624-K652 PolarHBondContact NE2-O 3.39Å; Q650-K652 PolarHBondContact O-N 2.93Å; K652-W654 HydrophobicContact CB-CD2 3.61Å; K652-W654 VanDerWaalsContact CB-CE2 3.45Å; K652-W654 HydrophobicContact CB-CE3 3.85Å; K652-W654 HydrophobicContact CB-CG 4.26Å; K652-W654 HydrophobicContact CB-CH2 3.9Å; K652-W654 HydrophobicContact CB-CZ2 3.63Å; K652-W654 HydrophobicContact CB-CZ3 3.99Å; K652-W654 HydrophobicContact CD-CH2 3.8Å; K652-W654 HydrophobicContact CD-CZ2 4.05Å; K652-W654 HydrophobicContact CD-CZ3 4.25Å; K652-W654 HydrophobicContact CG-CD2 4.42Å; K652-W654 HydrophobicContact CG-CH2 3.75Å; K652-W654 HydrophobicContact CG-CZ2 3.47Å; K652-W654 VanDerWaalsContact CG-CZ2 3.47Å; K652-W654 HydrophobicContact CG-CZ3 4.3Å; K652-W654 PolarHBondContact O-N 2.78Å; K652-W654 VanDerWaalsContact O-N 3.12Å; K652-H655 PolarHBondContact N-ND1 3.03Å; K652-H655 WeakPolarHBondContact O-CB 3.36Å; K652-H655 PolarHBondContact O-N 3.44Å | ||
| 653 | S | 86.1 | Confident | 80.9 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.4 | -178.5 | 67 | 0 | 0 | 0 | 0 | 114.7 | C119 D120 K121 | C119-S653 PolarHBondContact O-OG 2.79Å; D120-S653 PolarHBondContact OD1-N 2.86Å; K121-S653 PolarHBondContact N-OG 3.25Å |
| 654 | W | 84 | Confident | 79.3 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -9.5 | 173.7 | 61 | 81.7 | 0 | 0 | 0 | 113.7 | L118 D120 H129 K652 Q656 | L118-W654 HydrophobicContact CB-CD2 4.04Å; L118-W654 HydrophobicContact CB-CE3 3.48Å; L118-W654 VanDerWaalsContact CB-CE3 3.48Å; L118-W654 HydrophobicContact CB-CH2 4.12Å; L118-W654 HydrophobicContact CB-CZ3 3.53Å; L118-W654 HydrophobicContact CD1-CB 4.35Å; L118-W654 HydrophobicContact CD1-CD2 3.72Å; L118-W654 HydrophobicContact CD1-CE3 4.08Å; L118-W654 HydrophobicContact CD1-CG 3.86Å; L118-W654 HydrophobicContact CG-CE3 4.44Å; D120-W654 HydrophobicContact CB-CZ3 3.87Å; H129-W654 HydrophobicContact CB-CH2 4.02Å; H129-W654 HydrophobicContact CB-CZ3 4.49Å; K652-W654 HydrophobicContact CB-CD2 3.61Å; K652-W654 VanDerWaalsContact CB-CE2 3.45Å; K652-W654 HydrophobicContact CB-CE3 3.85Å; K652-W654 HydrophobicContact CB-CG 4.26Å; K652-W654 HydrophobicContact CB-CH2 3.9Å; K652-W654 HydrophobicContact CB-CZ2 3.63Å; K652-W654 HydrophobicContact CB-CZ3 3.99Å; K652-W654 HydrophobicContact CD-CH2 3.8Å; K652-W654 HydrophobicContact CD-CZ2 4.05Å; K652-W654 HydrophobicContact CD-CZ3 4.25Å; K652-W654 HydrophobicContact CG-CD2 4.42Å; K652-W654 HydrophobicContact CG-CH2 3.75Å; K652-W654 HydrophobicContact CG-CZ2 3.47Å; K652-W654 VanDerWaalsContact CG-CZ2 3.47Å; K652-W654 HydrophobicContact CG-CZ3 4.3Å; K652-W654 PolarHBondContact O-N 2.78Å; K652-W654 VanDerWaalsContact O-N 3.12Å; W654-Q656 PolarHBondContact O-N 3.21Å |
| 655 | H | 84.8 | Confident | 77.7 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | trans | -75.4 | 79.1 | 169 | -54.2 | 162.7 | 0 | 0 | 0 | 108.8 | Q624 K652 W686 N688 L689 | Q624-H655 PolarHBondContact NE2-O 2.86Å; K652-H655 PolarHBondContact N-ND1 3.03Å; K652-H655 WeakPolarHBondContact O-CB 3.36Å; K652-H655 PolarHBondContact O-N 3.44Å; H655-W686 AromaticContact CD2-CZ3 3.9Å; H655-N688 PolarHBondContact CE1-ND2 2.92Å; H655-N688 PolarHBondContact ND1-ND2 2.88Å; H655-N688 PolarHBondContact NE2-ND2 2.92Å; H655-L689 HydrophobicContact CB-CD1 4.47Å; H655-L689 HydrophobicContact CB-CD2 3.75Å; H655-L689 HydrophobicContact CB-CG 4.16Å | ||
| 656 | Q | 81.7 | Confident | 76.1 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 29% | 0.29 | 33% | 0.325 | S | S | . | . | trans | -143.1 | 140 | 178.7 | 63.6 | -175.2 | -29.8 | 0 | 0 | 110.5 | W654 L661 W686 | W654-Q656 PolarHBondContact O-N 3.21Å; Q656-L661 HydrophobicContact CG-CD1 4.38Å; Q656-L661 HydrophobicContact CG-CG 4.32Å; Q656-W686 PolarHBondContact O-NE1 2.68Å | ||
| 657 | P | 81.5 | Confident | 74.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -68.5 | 151.8 | 177.8 | -25.4 | 36 | 0 | 0 | 0 | 115.4 | F623 Y659 I660 A682 | F623-P657 HydrophobicContact CE1-CG 3.83Å; F623-P657 HydrophobicContact CZ-CG 4.25Å; P657-Y659 HydrophobicContact CB-CD1 3.56Å; P657-Y659 HydrophobicContact CB-CE1 3.22Å; P657-Y659 HydrophobicContact CB-CG 4.4Å; P657-Y659 HydrophobicContact CG-CE1 3.84Å; P657-Y659 PolarHBondContact O-N 3.01Å; P657-I660 HydrophobicContact CB-CG1 4.41Å; P657-I660 HydrophobicContact CG-CD1 4.37Å; P657-I660 WeakPolarHBondContact O-CB 3.34Å; P657-I660 PolarHBondContact O-N 2.84Å; P657-I660 VanDerWaalsContact O-N 3.09Å; P657-A682 HydrophobicContact CG-CB 3.56Å | ||
| 658 | D | 78.1 | Confident | 73.7 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.2 | -177 | -110.4 | 55.2 | 0 | 0 | 0 | 114.9 | I660 K662 Q685 | D658-I660 VanDerWaalsContact C-N 3.34Å; D658-K662 VanDerWaalsContact O-CD 3.29Å; D658-K662 WeakPolarHBondContact O-CD 3.13Å; D658-K662 WeakPolarHBondContact O-CE 3.37Å; D658-K662 WeakPolarHBondContact O-CG 3.29Å; D658-K662 IonicContact OD2-NZ 3.22Å; D658-K662 PolarHBondContact OD2-NZ 3.39Å; D658-Q685 PolarHBondContact OD1-NE2 3.04Å |
| 659 | Y | 78.1 | Confident | 72.5 | Confident | 72 Ų | 72 | 72.8 Ų | 72.8 | 28% | 0.282 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -28.2 | 179.9 | 61.9 | -96.9 | 0 | 0 | 0 | 112 | F623 P657 K662 N663 E678 L681 | F623-Y659 WeakPolarHBondContact CZ-OH 3.47Å; P657-Y659 HydrophobicContact CB-CD1 3.56Å; P657-Y659 HydrophobicContact CB-CE1 3.22Å; P657-Y659 HydrophobicContact CB-CG 4.4Å; P657-Y659 HydrophobicContact CG-CE1 3.84Å; P657-Y659 PolarHBondContact O-N 3.01Å; Y659-K662 PolarHBondContact O-N 2.93Å; Y659-N663 PolarHBondContact O-N 3.05Å; Y659-E678 PolarHBondContact OH-O 2.97Å; Y659-L681 HydrophobicContact CE1-CB 4.25Å |
| 660 | I | 72.9 | Confident | 71.3 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 12% | 0.118 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -41.5 | 178.2 | -51.2 | -169.2 | 0 | 0 | 0 | 110.2 | F623 P657 D658 K662 N663 I668 | F623-I660 HydrophobicContact CB-CD1 3.64Å; F623-I660 HydrophobicContact CD1-CD1 3.51Å; F623-I660 HydrophobicContact CD2-CD1 3.3Å; F623-I660 HydrophobicContact CE1-CD1 3.95Å; F623-I660 HydrophobicContact CE2-CD1 3.77Å; F623-I660 HydrophobicContact CG-CD1 3.15Å; F623-I660 HydrophobicContact CZ-CD1 4.08Å; P657-I660 HydrophobicContact CB-CG1 4.41Å; P657-I660 HydrophobicContact CG-CD1 4.37Å; P657-I660 WeakPolarHBondContact O-CB 3.34Å; P657-I660 PolarHBondContact O-N 2.84Å; P657-I660 VanDerWaalsContact O-N 3.09Å; D658-I660 VanDerWaalsContact C-N 3.34Å; I660-K662 PolarHBondContact O-N 3.28Å; I660-K662 VanDerWaalsContact O-N 3.16Å; I660-N663 PolarHBondContact O-N 2.85Å; I660-I668 HydrophobicContact CG2-CD1 3.54Å |
| 661 | L | 70 | Confident | 70.7 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 52% | 0.518 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.1 | 174.1 | -76.1 | 169.8 | 0 | 0 | 0 | 113.7 | Q656 | Q656-L661 HydrophobicContact CG-CD1 4.38Å; Q656-L661 HydrophobicContact CG-CG 4.32Å |
| 662 | K | 70.2 | Confident | 70.2 | Confident | 142 Ų | 142 | 76.6 Ų | 76.6 | 62% | 0.617 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -28.6 | 179.6 | -70.4 | 161.4 | -168.8 | 145.7 | 0 | 112.7 | D658 Y659 I660 T664 | D658-K662 VanDerWaalsContact O-CD 3.29Å; D658-K662 WeakPolarHBondContact O-CD 3.13Å; D658-K662 WeakPolarHBondContact O-CE 3.37Å; D658-K662 WeakPolarHBondContact O-CG 3.29Å; D658-K662 IonicContact OD2-NZ 3.22Å; D658-K662 PolarHBondContact OD2-NZ 3.39Å; Y659-K662 PolarHBondContact O-N 2.93Å; I660-K662 PolarHBondContact O-N 3.28Å; I660-K662 VanDerWaalsContact O-N 3.16Å; K662-T664 PolarHBondContact O-N 3.32Å |
| 663 | N | 60.4 | Low | 69.8 | Low | 106 Ų | 106 | 78 Ų | 78 | 57% | 0.567 | 43% | 0.426 | S | S | * | . | trans | -89.9 | 66.5 | -179.6 | -75.6 | 3.4 | 0 | 0 | 0 | 112.2 | Y659 I660 G665 | Y659-N663 PolarHBondContact O-N 3.05Å; I660-N663 PolarHBondContact O-N 2.85Å; N663-G665 VanDerWaalsContact C-N 3.25Å; N663-G665 PolarHBondContact O-N 2.93Å | ||
| 664 | T | 53.8 | Low | 69.6 | Low | 135 Ų | 135 | 78 Ų | 78 | 83% | 0.828 | 43% | 0.425 | S | S | * | . | trans | -80 | 2.4 | -179.6 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | K662 | K662-T664 PolarHBondContact O-N 3.32Š| ||
| 665 | G | 54.6 | Low | 69.5 | Low | 73 Ų | 73 | 79.9 Ų | 79.9 | 75% | 0.753 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -96.1 | -39.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N663 | N663-G665 VanDerWaalsContact C-N 3.25Å; N663-G665 PolarHBondContact O-N 2.93Å |
| 666 | D | 51.3 | Low | 69.5 | Low | 135 Ų | 135 | 83.9 Ų | 83.9 | 72% | 0.722 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -94.2 | 137.1 | -174.6 | -66.6 | -51.4 | 0 | 0 | 0 | 111.7 | I668 | D666-I668 PolarHBondContact O-N 3.38Å; D666-I668 VanDerWaalsContact O-N 3.09Å |
| 667 | Q | 56.8 | Low | 69.5 | Low | 195 Ų | 195 | 88.2 Ų | 88.2 | 91% | 0.911 | 48% | 0.48 | S | S | * | . | trans | -68.8 | 108.5 | 171.5 | -68.3 | -175 | -0.2 | 0 | 0 | 109.2 | N669 | Q667-N669 PolarHBondContact O-N 2.92Š| ||
| 668 | I | 59.8 | Low | 69.6 | Low | 76 Ų | 76 | 90.6 Ų | 90.6 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | trans | -57.2 | 107.4 | 176 | -57.3 | 169.6 | 0 | 0 | 0 | 108.4 | K626 I660 D666 S670 | K626-I668 HydrophobicContact CD-CG2 4.34Å; I660-I668 HydrophobicContact CG2-CD1 3.54Å; D666-I668 PolarHBondContact O-N 3.38Å; D666-I668 VanDerWaalsContact O-N 3.09Å; I668-S670 PolarHBondContact O-N 3.45Å | ||
| 669 | N | 63 | Low | 69.9 | Low | 90 Ų | 90 | 87.2 Ų | 87.2 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | trans | -69.6 | 100.2 | -178.6 | -174.2 | -0.3 | 0 | 0 | 0 | 110 | Q667 N671 T672 | Q667-N669 PolarHBondContact O-N 2.92Å; N669-N671 PolarHBondContact O-N 2.88Å; N669-N671 WeakPolarHBondContact OD1-CB 3.47Å; N669-N671 PolarHBondContact OD1-N 3.19Å; N669-N671 VanDerWaalsContact OD1-N 3.16Å; N669-T672 PolarHBondContact O-OG1 2.72Å | ||
| 670 | S | 59.9 | Low | 70.2 | Confident | 48 Ų | 48 | 90.3 Ų | 90.3 | 34% | 0.336 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 2.5 | -179.3 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | K629 I668 | K629-S670 PolarHBondContact NZ-O 2.94Å; K629-S670 VanDerWaalsContact NZ-O 3.11Å; I668-S670 PolarHBondContact O-N 3.45Å |
| 671 | N | 66.8 | Low | 70.7 | Confident | 124 Ų | 124 | 94 Ų | 94 | 66% | 0.663 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -16.1 | 175.6 | -68.2 | -16 | 0 | 0 | 0 | 113.4 | N669 | N669-N671 PolarHBondContact O-N 2.88Å; N669-N671 WeakPolarHBondContact OD1-CB 3.47Å; N669-N671 PolarHBondContact OD1-N 3.19Å; N669-N671 VanDerWaalsContact OD1-N 3.16Å |
| 672 | T | 74.6 | Confident | 71.3 | Confident | 65 Ų | 65 | 89.3 Ų | 89.3 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -93 | 140.6 | 173.3 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | K626 N669 | K626-T672 VanDerWaalsContact CE-O 3.24Å; K626-T672 WeakPolarHBondContact CE-O 3.2Å; N669-T672 PolarHBondContact O-OG1 2.72Å |
| 673 | P | 77.5 | Confident | 72 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 163.6 | 171.6 | 28.2 | -34.5 | 0 | 0 | 0 | 111.2 | K626 K629 | K626-P673 WeakPolarHBondContact CE-O 3.42Å; K629-P673 HydrophobicContact CB-CB 4.15Å |
| 674 | C | 82.5 | Confident | 73 | Confident | 9 Ų | 9 | 87.6 Ų | 87.6 | 6% | 0.061 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 138.5 | 172.3 | -131.1 | 0 | 0 | 0 | 0 | 110.3 | F623 K626 L627 R630 E678 | F623-C674 VanDerWaalsContact CE2-SG 3.52Å; K626-C674 HydrophobicContact CB-CB 4.03Å; K626-C674 PolarHBondContact O-N 3.47Å; L627-C674 HydrophobicContact CD2-CB 4.07Å; R630-C674 HydrophobicContact CB-CB 4.24Å; C674-E678 WeakPolarHBondContact CA-OE2 3.46Å; C674-E678 VanDerWaalsContact SG-CB 3.57Å; C674-E678 PolarHBondContact SG-OE2 3.09Å |
| 675 | T | 82.2 | Confident | 74.3 | Confident | 75 Ų | 75 | 84.4 Ų | 84.4 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 160.5 | 167 | 67.8 | 0 | 0 | 0 | 0 | 110.4 | E677 E678 A679 | T675-E677 VanDerWaalsContact C-N 3.33Å; T675-E677 PolarHBondContact O-N 2.79Å; T675-E678 PolarHBondContact N-OE2 3.48Å; T675-E678 PolarHBondContact O-N 3.34Å; T675-E678 WeakPolarHBondContact OG1-CB 3.32Å; T675-E678 VanDerWaalsContact OG1-CG 3.3Å; T675-E678 WeakPolarHBondContact OG1-CG 3.41Å; T675-E678 PolarHBondContact OG1-N 3.15Å; T675-A679 WeakPolarHBondContact O-CB 3.49Å; T675-A679 PolarHBondContact O-N 3.18Å |
| 676 | E | 83.2 | Confident | 75.6 | Confident | 94 Ų | 94 | 83.3 Ų | 83.3 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | -179.2 | -151 | 65.6 | -176 | 0 | 0 | 111.7 | R630 A679 E680 | R630-E676 IonicContact CZ-OE1 3.6Å; R630-E676 IonicContact CZ-OE2 3.34Å; R630-E676 IonicContact NE-OE1 3.59Å; R630-E676 IonicContact NE-OE2 2.66Å; R630-E676 PolarHBondContact NE-OE2 3.07Å; R630-E676 VanDerWaalsContact NH2-CD 3.28Å; R630-E676 IonicContact NH2-OE1 2.71Å; R630-E676 PolarHBondContact NH2-OE1 3.25Å; R630-E676 IonicContact NH2-OE2 3.21Å; R630-E676 PolarHBondContact NH2-OE2 3.44Å; E676-A679 PolarHBondContact O-N 3.43Å; E676-E680 PolarHBondContact O-N 2.84Å |
| 677 | E | 81.8 | Confident | 76.9 | Confident | 152 Ų | 152 | 79.1 Ų | 79.1 | 71% | 0.71 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 173.7 | -61.5 | -177.2 | 167.8 | 0 | 0 | 112.9 | T675 A679 L681 | T675-E677 VanDerWaalsContact C-N 3.33Å; T675-E677 PolarHBondContact O-N 2.79Å; E677-A679 VanDerWaalsContact C-N 3.32Å; E677-L681 WeakPolarHBondContact O-CB 3.08Å; E677-L681 WeakPolarHBondContact O-CD1 3.4Å; E677-L681 VanDerWaalsContact O-CG 3.23Å; E677-L681 WeakPolarHBondContact O-CG 3.21Å; E677-L681 PolarHBondContact O-N 2.95Å; E677-L681 VanDerWaalsContact O-N 3.09Å |
| 678 | E | 83.3 | Confident | 77.9 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 23% | 0.234 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 173 | -78.1 | 177.8 | 150.9 | 0 | 0 | 111 | K626 Y659 C674 T675 A682 | K626-E678 IonicContact NZ-OE1 2.72Å; K626-E678 PolarHBondContact NZ-OE1 2.86Å; K626-E678 IonicContact NZ-OE2 3.33Å; K626-E678 PolarHBondContact NZ-OE2 2.93Å; Y659-E678 PolarHBondContact OH-O 2.97Å; C674-E678 WeakPolarHBondContact CA-OE2 3.46Å; C674-E678 VanDerWaalsContact SG-CB 3.57Å; C674-E678 PolarHBondContact SG-OE2 3.09Å; T675-E678 PolarHBondContact N-OE2 3.48Å; T675-E678 PolarHBondContact O-N 3.34Å; T675-E678 WeakPolarHBondContact OG1-CB 3.32Å; T675-E678 VanDerWaalsContact OG1-CG 3.3Å; T675-E678 WeakPolarHBondContact OG1-CG 3.41Å; T675-E678 PolarHBondContact OG1-N 3.15Å; E678-A682 VanDerWaalsContact O-CB 3.27Å; E678-A682 WeakPolarHBondContact O-CB 3.44Å; E678-A682 PolarHBondContact O-N 3.41Å |
| 679 | A | 84.3 | Confident | 79.1 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.5 | -46.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L627 T675 E676 E677 L681 A682 V683 | L627-A679 HydrophobicContact CD2-CB 4.12Å; T675-A679 WeakPolarHBondContact O-CB 3.49Å; T675-A679 PolarHBondContact O-N 3.18Å; E676-A679 PolarHBondContact O-N 3.43Å; E677-A679 VanDerWaalsContact C-N 3.32Å; A679-L681 PolarHBondContact O-N 2.88Å; A679-A682 PolarHBondContact O-N 3.48Å; A679-V683 WeakPolarHBondContact O-CG2 3.37Å; A679-V683 PolarHBondContact O-N 3.17Å |
| 680 | E | 84.6 | Confident | 80.1 | Confident | 137 Ų | 137 | 69 Ų | 69 | 64% | 0.64 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.7 | -46.4 | 175 | -77.1 | -168.4 | -179 | 0 | 0 | 111.7 | E676 A682 K684 | E676-E680 PolarHBondContact O-N 2.84Å; E680-A682 VanDerWaalsContact C-N 3.29Å; E680-A682 PolarHBondContact O-N 2.74Å; E680-K684 WeakPolarHBondContact O-CB 3.28Å; E680-K684 PolarHBondContact O-N 2.87Å |
| 681 | L | 83.2 | Confident | 81.4 | Confident | 101 Ų | 101 | 67.2 Ų | 67.2 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 177.6 | -72.8 | 171.5 | 0 | 0 | 0 | 112 | Y659 E677 A679 Q685 | Y659-L681 HydrophobicContact CE1-CB 4.25Å; E677-L681 WeakPolarHBondContact O-CB 3.08Å; E677-L681 WeakPolarHBondContact O-CD1 3.4Å; E677-L681 VanDerWaalsContact O-CG 3.23Å; E677-L681 WeakPolarHBondContact O-CG 3.21Å; E677-L681 PolarHBondContact O-N 2.95Å; E677-L681 VanDerWaalsContact O-N 3.09Å; A679-L681 PolarHBondContact O-N 2.88Å; L681-Q685 PolarHBondContact O-N 3.02Å |
| 682 | A | 84.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.4 | -50.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F623 P657 E678 A679 E680 K684 Q685 W686 | F623-A682 HydrophobicContact CE1-CB 3.85Å; F623-A682 HydrophobicContact CZ-CB 3.78Å; P657-A682 HydrophobicContact CG-CB 3.56Å; E678-A682 VanDerWaalsContact O-CB 3.27Å; E678-A682 WeakPolarHBondContact O-CB 3.44Å; E678-A682 PolarHBondContact O-N 3.41Å; A679-A682 PolarHBondContact O-N 3.48Å; E680-A682 VanDerWaalsContact C-N 3.29Å; E680-A682 PolarHBondContact O-N 2.74Å; A682-K684 VanDerWaalsContact C-N 3.3Å; A682-K684 PolarHBondContact O-N 3.35Å; A682-Q685 PolarHBondContact O-N 3.27Å; A682-Q685 VanDerWaalsContact O-N 3.17Å; A682-W686 PolarHBondContact O-N 2.88Å |
| 683 | V | 83.8 | Confident | 83 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -38 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | A679 Q685 W686 P687 E690 | A679-V683 WeakPolarHBondContact O-CG2 3.37Å; A679-V683 PolarHBondContact O-N 3.17Å; V683-Q685 VanDerWaalsContact C-N 3.28Å; V683-Q685 PolarHBondContact O-N 3.43Å; V683-W686 CarbonylContact O-C 3.54Å; V683-W686 PolarHBondContact O-N 3.49Å; V683-P687 VanDerWaalsContact O-CA 3.29Å; V683-P687 WeakPolarHBondContact O-CA 3.37Å; V683-P687 WeakPolarHBondContact O-CD 3.38Å; V683-E690 HydrophobicContact CG1-CB 4.01Å; V683-E690 HydrophobicContact CG1-CG 4.35Å; V683-E690 HydrophobicContact CG2-CB 3.99Å; V683-E690 HydrophobicContact CG2-CG 4.42Å |
| 684 | K | 81.5 | Confident | 83.4 | Confident | 179 Ų | 179 | 61.6 Ų | 61.6 | 78% | 0.778 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.2 | -26.6 | 176.5 | -175.1 | 172.7 | -177.3 | 172.6 | 0 | 114.1 | E680 A682 | E680-K684 WeakPolarHBondContact O-CB 3.28Å; E680-K684 PolarHBondContact O-N 2.87Å; A682-K684 VanDerWaalsContact C-N 3.3Å; A682-K684 PolarHBondContact O-N 3.35Å |
| 685 | Q | 81 | Confident | 83.5 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -88.7 | -37.4 | 171.5 | -174.4 | 173.6 | -8.5 | 0 | 0 | 112.1 | D658 L681 A682 V683 | D658-Q685 PolarHBondContact OD1-NE2 3.04Å; L681-Q685 PolarHBondContact O-N 3.02Å; A682-Q685 PolarHBondContact O-N 3.27Å; A682-Q685 VanDerWaalsContact O-N 3.17Å; V683-Q685 VanDerWaalsContact C-N 3.28Å; V683-Q685 PolarHBondContact O-N 3.43Å |
| 686 | W | 81.5 | Confident | 83.7 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 19% | 0.186 | 31% | 0.312 | C | S | . | . | trans | -136 | 86.5 | -174.5 | -69.9 | 109 | 0 | 0 | 0 | 110 | F137 H655 Q656 A682 V683 N688 L689 | F137-W686 HydrophobicContact CE1-CE3 4.35Å; H655-W686 AromaticContact CD2-CZ3 3.9Å; Q656-W686 PolarHBondContact O-NE1 2.68Å; A682-W686 PolarHBondContact O-N 2.88Å; V683-W686 CarbonylContact O-C 3.54Å; V683-W686 PolarHBondContact O-N 3.49Å; W686-N688 PolarHBondContact O-N 2.69Å; W686-N688 VanDerWaalsContact O-N 3.09Å; W686-L689 HydrophobicContact CB-CB 4.43Å; W686-L689 HydrophobicContact CB-CD1 3.81Å; W686-L689 HydrophobicContact CB-CG 3.86Å; W686-L689 HydrophobicContact CG-CD1 4.36Å; W686-L689 WeakPolarHBondContact O-CB 3.46Å; W686-L689 PolarHBondContact O-N 3.09Å | ||
| 687 | P | 79.4 | Confident | 83.9 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -60 | -24.5 | -176.9 | -27.8 | 36.5 | 0 | 0 | 0 | 113.9 | F137 V683 L689 E690 | F137-P687 HydrophobicContact CB-CB 4.08Å; F137-P687 HydrophobicContact CB-CG 3.95Å; F137-P687 HydrophobicContact CD1-CG 4.3Å; F137-P687 HydrophobicContact CD2-CG 3.96Å; F137-P687 HydrophobicContact CG-CB 4.31Å; F137-P687 HydrophobicContact CG-CG 3.83Å; V683-P687 VanDerWaalsContact O-CA 3.29Å; V683-P687 WeakPolarHBondContact O-CA 3.37Å; V683-P687 WeakPolarHBondContact O-CD 3.38Å; P687-L689 PolarHBondContact O-N 2.73Å; P687-E690 VanDerWaalsContact O-CB 3.29Å; P687-E690 WeakPolarHBondContact O-CB 3.43Å; P687-E690 PolarHBondContact O-N 3.28Å; P687-E690 VanDerWaalsContact O-N 3.11Å |
| 688 | N | 78.5 | Confident | 84.2 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -70.1 | -6.6 | 173.9 | 60.3 | -7.5 | 0 | 0 | 0 | 114.4 | W651 H655 W686 | W651-N688 PolarHBondContact NE1-O 3.31Å; H655-N688 PolarHBondContact CE1-ND2 2.92Å; H655-N688 PolarHBondContact ND1-ND2 2.88Å; H655-N688 PolarHBondContact NE2-ND2 2.92Å; W686-N688 PolarHBondContact O-N 2.69Å; W686-N688 VanDerWaalsContact O-N 3.09Å |
| 689 | L | 84 | Confident | 84.4 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -87 | -1 | 168.3 | -67.3 | -177.9 | 0 | 0 | 0 | 113.7 | Q624 L627 W651 H655 W686 P687 L691 | Q624-L689 HydrophobicContact CG-CD2 4.48Å; L627-L689 HydrophobicContact CD1-CB 4.03Å; L627-L689 HydrophobicContact CD1-CD1 4.26Å; L627-L689 HydrophobicContact CD1-CD2 4.45Å; L627-L689 HydrophobicContact CD1-CG 4.49Å; W651-L689 HydrophobicContact CD2-CD2 3.86Å; W651-L689 HydrophobicContact CE3-CD2 4.16Å; W651-L689 HydrophobicContact CG-CD2 4.27Å; W651-L689 HydrophobicContact CH2-CD2 4.35Å; W651-L689 HydrophobicContact CZ2-CB 4.41Å; W651-L689 HydrophobicContact CZ2-CD2 4.08Å; W651-L689 WeakPolarHBondContact CZ2-O 3.34Å; W651-L689 HydrophobicContact CZ3-CD2 4.4Å; H655-L689 HydrophobicContact CB-CD1 4.47Å; H655-L689 HydrophobicContact CB-CD2 3.75Å; H655-L689 HydrophobicContact CB-CG 4.16Å; W686-L689 HydrophobicContact CB-CB 4.43Å; W686-L689 HydrophobicContact CB-CD1 3.81Å; W686-L689 HydrophobicContact CB-CG 3.86Å; W686-L689 HydrophobicContact CG-CD1 4.36Å; W686-L689 WeakPolarHBondContact O-CB 3.46Å; W686-L689 PolarHBondContact O-N 3.09Å; P687-L689 PolarHBondContact O-N 2.73Å; L689-L691 PolarHBondContact O-N 2.86Å |
| 690 | E | 84.5 | Confident | 84.7 | Confident | 106 Ų | 106 | 53.9 Ų | 53.9 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | trans | -66 | 129.1 | 175.3 | -169.7 | 165.1 | -169.1 | 0 | 0 | 110.9 | V683 P687 Q701 | V683-E690 HydrophobicContact CG1-CB 4.01Å; V683-E690 HydrophobicContact CG1-CG 4.35Å; V683-E690 HydrophobicContact CG2-CB 3.99Å; V683-E690 HydrophobicContact CG2-CG 4.42Å; P687-E690 VanDerWaalsContact O-CB 3.29Å; P687-E690 WeakPolarHBondContact O-CB 3.43Å; P687-E690 PolarHBondContact O-N 3.28Å; P687-E690 VanDerWaalsContact O-N 3.11Å; E690-Q701 PolarHBondContact O-NE2 2.88Å | ||
| 691 | L | 88 | Confident | 84.8 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | trans | -119 | 124.3 | 168.8 | -67 | 179.8 | 0 | 0 | 0 | 108.3 | V628 A631 V644 V647 V648 W651 L689 | V628-L691 HydrophobicContact CG2-CD1 4.12Å; A631-L691 HydrophobicContact CB-CB 4.17Å; A631-L691 HydrophobicContact CB-CD1 3.89Å; V644-L691 HydrophobicContact CG1-CD1 4.36Å; V644-L691 HydrophobicContact CG1-CD2 4.5Å; V647-L691 HydrophobicContact CB-CD2 4.12Å; V647-L691 HydrophobicContact CG1-CD2 3.8Å; V648-L691 HydrophobicContact CG1-CD1 4.15Å; V648-L691 HydrophobicContact CG1-CD2 3.84Å; W651-L691 HydrophobicContact CH2-CD1 3.63Å; W651-L691 HydrophobicContact CH2-CD2 4.09Å; W651-L691 HydrophobicContact CH2-CG 3.71Å; W651-L691 HydrophobicContact CZ2-CD1 4.09Å; W651-L691 HydrophobicContact CZ2-CD2 3.67Å; W651-L691 HydrophobicContact CZ2-CG 3.66Å; L689-L691 PolarHBondContact O-N 2.86Å | ||
| 692 | A | 87.5 | Confident | 85.1 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | trans | -57.4 | 144.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F640 A698 | F640-A692 VanDerWaalsContact CE2-O 3.28Å; F640-A692 WeakPolarHBondContact CE2-O 3.3Å; F640-A692 WeakPolarHBondContact CZ-O 3.27Å; A692-A698 HydrophobicContact CB-CB 4.11Å; A692-A698 VanDerWaalsContact CB-N 3.31Å | ||
| 693 | L | 87.4 | Confident | 85.4 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -93.8 | 1.8 | -178.2 | -59.6 | 180 | 0 | 0 | 0 | 114 | R630 H634 | R630-L693 HydrophobicContact CG-CD2 4.3Å; H634-L693 HydrophobicContact CB-CB 3.97Å; H634-L693 HydrophobicContact CB-CD2 4.41Å; H634-L693 WeakPolarHBondContact CB-O 3.36Å |
| 694 | T | 85.4 | Confident | 85.4 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 47% | 0.466 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -143 | 157.2 | -177.3 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | R696 G697 A698 | T694-R696 PolarHBondContact O-N 3.26Å; T694-G697 PolarHBondContact O-N 2.72Å; T694-G697 PolarHBondContact OG1-N 3.35Å; T694-G697 VanDerWaalsContact OG1-N 3.14Å; T694-A698 WeakPolarHBondContact O-CB 3.48Å; T694-A698 PolarHBondContact O-N 3.45Å |
| 695 | V | 84.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.1 | -48.8 | 174.1 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | L637 L639 F640 L643 G697 A698 I699 Q792 | L637-V695 HydrophobicContact CB-CG2 4.16Å; L637-V695 HydrophobicContact CD1-CG2 3.74Å; L639-V695 HydrophobicContact CD2-CG1 4.14Å; F640-V695 HydrophobicContact CB-CG2 3.81Å; F640-V695 HydrophobicContact CD2-CG2 4.45Å; L643-V695 HydrophobicContact CD1-CG1 4.42Å; V695-G697 PolarHBondContact O-N 3.46Å; V695-A698 PolarHBondContact O-N 3.1Å; V695-I699 HydrophobicContact CG1-CD1 3.77Å; V695-I699 HydrophobicContact CG1-CG1 4.4Å; V695-I699 WeakPolarHBondContact O-CG1 3.3Å; V695-I699 PolarHBondContact O-N 3.1Å; V695-Q792 HydrophobicContact CG1-CB 4.02Å; V695-Q792 HydrophobicContact CG1-CG 4.03Å |
| 696 | R | 86.6 | Confident | 85.5 | Confident | 136 Ų | 136 | 39.9 Ų | 39.9 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -43.8 | -178.6 | -165.8 | 170.6 | 176.7 | -159.6 | 5.7 | 110.9 | T694 A698 I699 V700 A796 D799 | T694-R696 PolarHBondContact O-N 3.26Å; R696-A698 PolarHBondContact O-N 2.95Å; R696-I699 PolarHBondContact O-N 3.02Å; R696-V700 VanDerWaalsContact O-CG2 3.27Å; R696-V700 WeakPolarHBondContact O-CG2 3.46Å; R696-V700 PolarHBondContact O-N 3.49Å; R696-A796 HydrophobicContact CG-CB 4.38Å; R696-D799 IonicContact CZ-OD2 3.26Å; R696-D799 IonicContact NE-OD2 2.74Å; R696-D799 PolarHBondContact NE-OD2 2.84Å; R696-D799 IonicContact NH2-OD1 2.66Å; R696-D799 PolarHBondContact NH2-OD1 2.8Å; R696-D799 VanDerWaalsContact NH2-OD1 3.11Å; R696-D799 IonicContact NH2-OD2 3.07Å; R696-D799 PolarHBondContact NH2-OD2 2.83Å |
| 697 | G | 86 | Confident | 85.7 | Confident | 25 Ų | 25 | 38.8 Ų | 38.8 | 26% | 0.258 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T694 V695 I699 V700 Q701 | T694-G697 PolarHBondContact O-N 2.72Å; T694-G697 PolarHBondContact OG1-N 3.35Å; T694-G697 VanDerWaalsContact OG1-N 3.14Å; V695-G697 PolarHBondContact O-N 3.46Å; G697-I699 VanDerWaalsContact C-N 3.34Å; G697-I699 PolarHBondContact O-N 3.4Å; G697-V700 PolarHBondContact O-N 3.28Å; G697-Q701 WeakPolarHBondContact O-CB 3.1Å; G697-Q701 PolarHBondContact O-N 3.14Å |
| 698 | A | 88.2 | Confident | 85.4 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.6 | -32.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F640 L643 A692 T694 V695 R696 F702 | F640-A698 HydrophobicContact CD2-CB 4.11Å; F640-A698 HydrophobicContact CE2-CB 4.14Å; L643-A698 HydrophobicContact CB-CB 3.94Å; L643-A698 HydrophobicContact CD1-CB 3.96Å; A692-A698 HydrophobicContact CB-CB 4.11Å; A692-A698 VanDerWaalsContact CB-N 3.31Å; T694-A698 WeakPolarHBondContact O-CB 3.48Å; T694-A698 PolarHBondContact O-N 3.45Å; V695-A698 PolarHBondContact O-N 3.1Å; R696-A698 PolarHBondContact O-N 2.95Å; A698-F702 VanDerWaalsContact O-CB 3.31Å; A698-F702 WeakPolarHBondContact O-CB 3.14Å; A698-F702 PolarHBondContact O-N 3.19Å |
| 699 | I | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.5 | -40 | 171.8 | -64.7 | 169.5 | 0 | 0 | 0 | 111 | L643 V695 R696 G697 F702 F703 Q792 F793 A796 | L643-I699 HydrophobicContact CD1-CD1 4.4Å; L643-I699 HydrophobicContact CD1-CG1 3.64Å; L643-I699 HydrophobicContact CD2-CG1 4.44Å; V695-I699 HydrophobicContact CG1-CD1 3.77Å; V695-I699 HydrophobicContact CG1-CG1 4.4Å; V695-I699 WeakPolarHBondContact O-CG1 3.3Å; V695-I699 PolarHBondContact O-N 3.1Å; R696-I699 PolarHBondContact O-N 3.02Å; G697-I699 VanDerWaalsContact C-N 3.34Å; G697-I699 PolarHBondContact O-N 3.4Å; I699-F702 PolarHBondContact O-N 3.06Å; I699-F703 HydrophobicContact CG2-CD1 4.46Å; I699-F703 HydrophobicContact CG2-CD2 4.04Å; I699-F703 HydrophobicContact CG2-CE1 4.03Å; I699-F703 HydrophobicContact CG2-CE2 3.56Å; I699-F703 HydrophobicContact CG2-CG 4.48Å; I699-F703 HydrophobicContact CG2-CZ 3.56Å; I699-F703 WeakPolarHBondContact O-CB 3.46Å; I699-F703 VanDerWaalsContact O-CG 3.29Å; I699-F703 WeakPolarHBondContact O-CG 3.3Å; I699-F703 PolarHBondContact O-N 3.16Å; I699-Q792 HydrophobicContact CD1-CB 3.67Å; I699-F793 HydrophobicContact CD1-CD2 3.69Å; I699-F793 HydrophobicContact CD1-CE2 3.82Å; I699-F793 HydrophobicContact CD1-CG 4.1Å; I699-F793 HydrophobicContact CD1-CZ 4.32Å; I699-F793 HydrophobicContact CG1-CD2 4.26Å; I699-F793 HydrophobicContact CG1-CE1 4.26Å; I699-F793 HydrophobicContact CG1-CE2 4.01Å; I699-F793 HydrophobicContact CG1-CZ 4.01Å; I699-F793 HydrophobicContact CG2-CD1 3.76Å; I699-F793 HydrophobicContact CG2-CE1 4Å; I699-F793 HydrophobicContact CG2-CG 4.16Å; I699-A796 HydrophobicContact CB-CB 4.13Å; I699-A796 HydrophobicContact CG2-CB 3.61Å |
| 700 | V | 89.3 | Confident | 84.5 | Confident | 45 Ų | 45 | 41.4 Ų | 41.4 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.1 | -50.5 | 172.8 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | R696 G697 F702 F703 E704 | R696-V700 VanDerWaalsContact O-CG2 3.27Å; R696-V700 WeakPolarHBondContact O-CG2 3.46Å; R696-V700 PolarHBondContact O-N 3.49Å; G697-V700 PolarHBondContact O-N 3.28Å; V700-F702 VanDerWaalsContact C-N 3.28Å; V700-F702 PolarHBondContact O-N 3.08Å; V700-F703 WeakPolarHBondContact O-CA 3.43Å; V700-F703 WeakPolarHBondContact O-CB 3.23Å; V700-F703 PolarHBondContact O-N 3.42Å; V700-E704 HydrophobicContact CG1-CG 4.49Å; V700-E704 WeakPolarHBondContact O-CG 3.38Å; V700-E704 PolarHBondContact O-N 3.46Å |
| 701 | Q | 87.2 | Confident | 84 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -37.7 | 177.9 | -168.1 | -179.2 | 11.9 | 0 | 0 | 112.1 | E690 G697 S705 | E690-Q701 PolarHBondContact O-NE2 2.88Å; G697-Q701 WeakPolarHBondContact O-CB 3.1Å; G697-Q701 PolarHBondContact O-N 3.14Å; Q701-S705 PolarHBondContact O-N 3.24Å |
| 702 | F | 88.7 | Confident | 83.9 | Confident | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 172.3 | 169.5 | -118.2 | 0 | 0 | 0 | 112.4 | R646 A698 I699 V700 S705 L706 A770 L771 F793 | R646-F702 VanDerWaalsContact CZ-CE2 3.42Å; A698-F702 VanDerWaalsContact O-CB 3.31Å; A698-F702 WeakPolarHBondContact O-CB 3.14Å; A698-F702 PolarHBondContact O-N 3.19Å; I699-F702 PolarHBondContact O-N 3.06Å; V700-F702 VanDerWaalsContact C-N 3.28Å; V700-F702 PolarHBondContact O-N 3.08Å; F702-S705 WeakPolarHBondContact O-CB 3.42Å; F702-S705 PolarHBondContact O-N 2.96Å; F702-L706 HydrophobicContact CD2-CG 4.38Å; F702-L706 HydrophobicContact CE1-CD1 3.84Å; F702-L706 HydrophobicContact CE1-CG 4.44Å; F702-L706 HydrophobicContact CE2-CD1 4.06Å; F702-L706 HydrophobicContact CE2-CD2 3.88Å; F702-L706 HydrophobicContact CE2-CG 3.83Å; F702-L706 HydrophobicContact CZ-CD1 3.56Å; F702-L706 HydrophobicContact CZ-CD2 4.06Å; F702-L706 HydrophobicContact CZ-CG 3.88Å; F702-L706 WeakPolarHBondContact O-CG 3.33Å; F702-L706 PolarHBondContact O-N 3.03Å; F702-A770 WeakPolarHBondContact CZ-O 3.43Å; F702-L771 HydrophobicContact CE1-CD2 4.21Å; F702-L771 HydrophobicContact CZ-CD2 4.44Å; F702-F793 AromaticContact CD1-CE1 3.83Å; F702-F793 HydrophobicContact CD1-CE1 3.83Å; F702-F793 AromaticContact CE1-CE1 3.89Å; F702-F793 HydrophobicContact CE1-CE1 3.89Å |
| 703 | F | 91 | Very high | 83.8 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 175 | -72.3 | -17.3 | 0 | 0 | 0 | 112.4 | I699 V700 S705 L706 E707 I719 W788 F793 A796 A797 Y801 | I699-F703 HydrophobicContact CG2-CD1 4.46Å; I699-F703 HydrophobicContact CG2-CD2 4.04Å; I699-F703 HydrophobicContact CG2-CE1 4.03Å; I699-F703 HydrophobicContact CG2-CE2 3.56Å; I699-F703 HydrophobicContact CG2-CG 4.48Å; I699-F703 HydrophobicContact CG2-CZ 3.56Å; I699-F703 WeakPolarHBondContact O-CB 3.46Å; I699-F703 VanDerWaalsContact O-CG 3.29Å; I699-F703 WeakPolarHBondContact O-CG 3.3Å; I699-F703 PolarHBondContact O-N 3.16Å; V700-F703 WeakPolarHBondContact O-CA 3.43Å; V700-F703 WeakPolarHBondContact O-CB 3.23Å; V700-F703 PolarHBondContact O-N 3.42Å; F703-S705 VanDerWaalsContact C-N 3.33Å; F703-S705 PolarHBondContact O-N 2.97Å; F703-L706 WeakPolarHBondContact O-CB 3.36Å; F703-L706 PolarHBondContact O-N 3.47Å; F703-L706 VanDerWaalsContact O-N 3.15Å; F703-E707 WeakPolarHBondContact O-CG 3.41Å; F703-E707 PolarHBondContact O-N 3.45Å; F703-I719 HydrophobicContact CD1-CD1 3.86Å; F703-I719 HydrophobicContact CE1-CD1 4Å; F703-I719 HydrophobicContact CG-CD1 4.37Å; F703-W788 AromaticContact CE1-CH2 3.71Å; F703-W788 HydrophobicContact CE1-CH2 3.71Å; F703-W788 HydrophobicContact CE1-CZ2 4.36Å; F703-W788 HydrophobicContact CE1-CZ3 4.41Å; F703-W788 AromaticContact CZ-CH2 3.91Å; F703-W788 HydrophobicContact CZ-CH2 3.91Å; F703-W788 HydrophobicContact CZ-CZ2 4.18Å; F703-F793 AromaticContact CE1-CD1 3.85Å; F703-F793 HydrophobicContact CE1-CD1 3.85Å; F703-F793 HydrophobicContact CE1-CE1 4.28Å; F703-F793 AromaticContact CZ-CD1 3.86Å; F703-F793 HydrophobicContact CZ-CD1 3.86Å; F703-A796 HydrophobicContact CE2-CB 4.13Å; F703-A797 HydrophobicContact CE2-CB 3.88Å; F703-A797 HydrophobicContact CZ-CB 4Å; F703-Y801 HydrophobicContact CB-CE2 4.33Å; F703-Y801 AromaticContact CD2-CE2 3.79Å; F703-Y801 HydrophobicContact CD2-CE2 3.79Å; F703-Y801 HydrophobicContact CE2-CE2 4.26Å; F703-Y801 HydrophobicContact CG-CE2 4.1Å |
| 704 | E | 85.2 | Confident | 83.9 | Confident | 114 Ų | 114 | 42.7 Ų | 42.7 | 53% | 0.533 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 173.6 | -69.5 | 174.8 | 161.2 | 0 | 0 | 111.8 | V700 L706 E707 H708 | V700-E704 HydrophobicContact CG1-CG 4.49Å; V700-E704 WeakPolarHBondContact O-CG 3.38Å; V700-E704 PolarHBondContact O-N 3.46Å; E704-L706 VanDerWaalsContact C-N 3.34Å; E704-L706 PolarHBondContact O-N 2.88Å; E704-E707 PolarHBondContact O-N 3.42Å; E704-H708 WeakPolarHBondContact O-CB 3.45Å; E704-H708 PolarHBondContact O-N 3.44Å |
| 705 | S | 80.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 39 Ų | 39 | 31% | 0.308 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61 | -39.9 | 171.8 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | Q701 F702 F703 H708 T709 | Q701-S705 PolarHBondContact O-N 3.24Å; F702-S705 WeakPolarHBondContact O-CB 3.42Å; F702-S705 PolarHBondContact O-N 2.96Å; F703-S705 VanDerWaalsContact C-N 3.33Å; F703-S705 PolarHBondContact O-N 2.97Å; S705-H708 PolarHBondContact O-N 2.71Å; S705-T709 WeakPolarHBondContact O-CB 3.22Å; S705-T709 PolarHBondContact O-N 3.49Å; S705-T709 PolarHBondContact O-OG1 3.25Å |
| 706 | L | 83.7 | Confident | 84.4 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.4 | -38.7 | 174.1 | -66.6 | -176.6 | 0 | 0 | 0 | 112.8 | F702 F703 E704 H708 T709 H710 T715 L767 A770 L771 | F702-L706 HydrophobicContact CD2-CG 4.38Å; F702-L706 HydrophobicContact CE1-CD1 3.84Å; F702-L706 HydrophobicContact CE1-CG 4.44Å; F702-L706 HydrophobicContact CE2-CD1 4.06Å; F702-L706 HydrophobicContact CE2-CD2 3.88Å; F702-L706 HydrophobicContact CE2-CG 3.83Å; F702-L706 HydrophobicContact CZ-CD1 3.56Å; F702-L706 HydrophobicContact CZ-CD2 4.06Å; F702-L706 HydrophobicContact CZ-CG 3.88Å; F702-L706 WeakPolarHBondContact O-CG 3.33Å; F702-L706 PolarHBondContact O-N 3.03Å; F703-L706 WeakPolarHBondContact O-CB 3.36Å; F703-L706 PolarHBondContact O-N 3.47Å; F703-L706 VanDerWaalsContact O-N 3.15Å; E704-L706 VanDerWaalsContact C-N 3.34Å; E704-L706 PolarHBondContact O-N 2.88Å; L706-H708 VanDerWaalsContact C-N 3.28Å; L706-H708 PolarHBondContact O-N 3.14Å; L706-T709 PolarHBondContact O-N 2.91Å; L706-H710 WeakPolarHBondContact O-CB 3.24Å; L706-H710 PolarHBondContact O-CD2 3.06Å; L706-H710 PolarHBondContact O-N 3.07Å; L706-T715 HydrophobicContact CB-CG2 3.66Å; L706-T715 PolarHBondContact O-OG1 3.16Å; L706-L767 HydrophobicContact CB-CD1 4.39Å; L706-L767 HydrophobicContact CD1-CD1 4.22Å; L706-L767 HydrophobicContact CD2-CD1 4.43Å; L706-A770 HydrophobicContact CD2-CB 3.47Å; L706-A770 VanDerWaalsContact CD2-CB 3.47Å; L706-L771 HydrophobicContact CD1-CD2 3.5Å; L706-L771 HydrophobicContact CD1-CG 4Å |
| 707 | E | 84.4 | Confident | 84.8 | Confident | 26 Ų | 26 | 33.4 Ų | 33.4 | 12% | 0.121 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 173 | -72.3 | -166.8 | 158.5 | 0 | 0 | 111.1 | F703 E704 G711 K712 T715 Y801 | F703-E707 WeakPolarHBondContact O-CG 3.41Å; F703-E707 PolarHBondContact O-N 3.45Å; E704-E707 PolarHBondContact O-N 3.42Å; E707-G711 CarbonylContact O-C 3.16Å; E707-G711 WeakPolarHBondContact O-CA 3.29Å; E707-G711 PolarHBondContact O-N 2.92Å; E707-K712 HydrophobicContact CB-CB 4.09Å; E707-K712 HydrophobicContact CB-CG 4.45Å; E707-K712 HydrophobicContact CG-CB 4.3Å; E707-K712 HydrophobicContact CG-CG 4.2Å; E707-K712 PolarHBondContact O-N 3.13Å; E707-K712 IonicContact OE1-NZ 3.16Å; E707-K712 PolarHBondContact OE1-NZ 2.89Å; E707-K712 WeakPolarHBondContact OE2-CD 3.36Å; E707-K712 WeakPolarHBondContact OE2-CG 3.4Å; E707-K712 IonicContact OE2-NZ 2.79Å; E707-K712 PolarHBondContact OE2-NZ 3.33Å; E707-T715 HydrophobicContact CG-CG2 4.04Å; E707-Y801 WeakPolarHBondContact OE1-CE1 3.28Å |
| 708 | H | 72.5 | Confident | 85.2 | Confident | 78 Ų | 78 | 32.2 Ų | 32.2 | 36% | 0.361 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | 179.3 | -164.7 | 91.7 | 0 | 0 | 0 | 112.4 | A136 L139 E704 S705 L706 | A136-H708 PolarHBondContact O-CE1 3.13Å; L139-H708 VanDerWaalsContact CD1-CE1 3.47Å; L139-H708 WeakPolarHBondContact CD1-CE1 3.45Å; L139-H708 VanDerWaalsContact CD1-NE2 3.27Å; L139-H708 WeakPolarHBondContact CD1-NE2 3.44Å; E704-H708 WeakPolarHBondContact O-CB 3.45Å; E704-H708 PolarHBondContact O-N 3.44Å; S705-H708 PolarHBondContact O-N 2.71Å; L706-H708 VanDerWaalsContact C-N 3.28Å; L706-H708 PolarHBondContact O-N 3.14Å |
| 709 | T | 69.5 | Low | 85.5 | Confident | 47 Ų | 47 | 31.9 Ų | 31.9 | 29% | 0.288 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -79.7 | -36.9 | -173.7 | -54.8 | 0 | 0 | 0 | 0 | 113.2 | S705 L706 | S705-T709 WeakPolarHBondContact O-CB 3.22Å; S705-T709 PolarHBondContact O-N 3.49Å; S705-T709 PolarHBondContact O-OG1 3.25Å; L706-T709 PolarHBondContact O-N 2.91Å |
| 710 | H | 74.4 | Confident | 85.8 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -109.2 | -12.8 | -173.3 | -60 | -96.8 | 0 | 0 | 0 | 114.2 | L706 L714 R766 L767 A770 | L706-H710 WeakPolarHBondContact O-CB 3.24Å; L706-H710 PolarHBondContact O-CD2 3.06Å; L706-H710 PolarHBondContact O-N 3.07Å; H710-L714 HydrophobicContact CB-CD2 4.19Å; H710-L714 WeakPolarHBondContact O-CD2 2.98Å; H710-R766 PolarHBondContact CE1-O 2.76Å; H710-R766 VanDerWaalsContact CE1-O 3.26Å; H710-L767 HydrophobicContact CB-CD1 4.33Å; H710-A770 VanDerWaalsContact NE2-CB 3.27Å; H710-A770 WeakPolarHBondContact NE2-CB 3.44Å |
| 711 | G | 74.9 | Confident | 86.1 | Confident | 21 Ų | 21 | 29.7 Ų | 29.7 | 22% | 0.216 | 15% | 0.153 | C | C | . | . | trans | 103.5 | 122.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E707 L713 L714 T715 | E707-G711 CarbonylContact O-C 3.16Å; E707-G711 WeakPolarHBondContact O-CA 3.29Å; E707-G711 PolarHBondContact O-N 2.92Å; G711-L713 VanDerWaalsContact C-N 3.29Å; G711-L713 PolarHBondContact O-N 3.05Å; G711-L714 PolarHBondContact O-N 3.21Å; G711-T715 PolarHBondContact O-N 2.98Å; G711-T715 PolarHBondContact O-OG1 3.01Å | ||
| 712 | K | 84.9 | Confident | 86.4 | Confident | 130 Ų | 130 | 27.6 Ų | 27.6 | 57% | 0.565 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -51 | -44.8 | -174.2 | 175 | 162.2 | -171.9 | 76.5 | 0 | 113.3 | E707 S716 | E707-K712 HydrophobicContact CB-CB 4.09Å; E707-K712 HydrophobicContact CB-CG 4.45Å; E707-K712 HydrophobicContact CG-CB 4.3Å; E707-K712 HydrophobicContact CG-CG 4.2Å; E707-K712 PolarHBondContact O-N 3.13Å; E707-K712 IonicContact OE1-NZ 3.16Å; E707-K712 PolarHBondContact OE1-NZ 2.89Å; E707-K712 WeakPolarHBondContact OE2-CD 3.36Å; E707-K712 WeakPolarHBondContact OE2-CG 3.4Å; E707-K712 IonicContact OE2-NZ 2.79Å; E707-K712 PolarHBondContact OE2-NZ 3.33Å; K712-S716 VanDerWaalsContact O-CB 3.24Å; K712-S716 WeakPolarHBondContact O-CB 3.48Å; K712-S716 PolarHBondContact O-N 3.39Å; K712-S716 PolarHBondContact O-OG 3.47Å |
| 713 | L | 86.5 | Confident | 86.6 | Confident | 49 Ų | 49 | 27.3 Ų | 27.3 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -72 | -43.1 | -173.3 | -147.4 | 161.3 | 0 | 0 | 0 | 111.2 | G711 S716 H717 E743 V744 D747 | G711-L713 VanDerWaalsContact C-N 3.29Å; G711-L713 PolarHBondContact O-N 3.05Å; L713-S716 PolarHBondContact O-OG 3.09Å; L713-H717 WeakPolarHBondContact CD2-NE2 3.43Å; L713-H717 VanDerWaalsContact O-CB 3.28Å; L713-H717 WeakPolarHBondContact O-CB 3.48Å; L713-H717 PolarHBondContact O-CD2 2.87Å; L713-H717 PolarHBondContact O-N 3.05Å; L713-H717 VanDerWaalsContact O-N 3.11Å; L713-E743 HydrophobicContact CD1-CB 4.15Å; L713-E743 HydrophobicContact CD2-CB 3.73Å; L713-V744 HydrophobicContact CD2-CB 4.41Å; L713-V744 HydrophobicContact CD2-CG2 3.69Å; L713-D747 HydrophobicContact CB-CB 4.34Å |
| 714 | L | 88.8 | Confident | 86.7 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -55.9 | 170.2 | 174.4 | 73.3 | 0 | 0 | 0 | 111.9 | H710 G711 H717 A718 L738 V744 V748 V763 L767 | H710-L714 HydrophobicContact CB-CD2 4.19Å; H710-L714 WeakPolarHBondContact O-CD2 2.98Å; G711-L714 PolarHBondContact O-N 3.21Å; L714-H717 PolarHBondContact O-N 2.88Å; L714-A718 VanDerWaalsContact O-CB 3.28Å; L714-A718 WeakPolarHBondContact O-CB 3.45Å; L714-A718 PolarHBondContact O-N 3.1Å; L714-L738 HydrophobicContact CD1-CD1 4.35Å; L714-L738 HydrophobicContact CD1-CD2 4.49Å; L714-V744 HydrophobicContact CB-CG1 4.41Å; L714-V744 HydrophobicContact CD1-CG1 3.74Å; L714-V748 HydrophobicContact CD1-CG2 4.45Å; L714-V763 HydrophobicContact CD1-CG1 3.73Å; L714-V763 HydrophobicContact CD2-CG1 3.28Å; L714-V763 HydrophobicContact CG-CG1 4.14Å; L714-L767 HydrophobicContact CG-CD2 4.41Å |
| 715 | T | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -51.3 | -174.1 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | L706 E707 G711 H717 A718 I719 L767 | L706-T715 HydrophobicContact CB-CG2 3.66Å; L706-T715 PolarHBondContact O-OG1 3.16Å; E707-T715 HydrophobicContact CG-CG2 4.04Å; G711-T715 PolarHBondContact O-N 2.98Å; G711-T715 PolarHBondContact O-OG1 3.01Å; T715-H717 PolarHBondContact O-N 3.34Å; T715-A718 PolarHBondContact O-N 2.77Å; T715-I719 HydrophobicContact CG2-CD1 3.81Å; T715-I719 WeakPolarHBondContact O-CB 3.23Å; T715-I719 WeakPolarHBondContact O-CG1 3.43Å; T715-I719 PolarHBondContact O-N 2.67Å; T715-L767 HydrophobicContact CG2-CD1 4.37Å |
| 716 | S | 92.4 | Very high | 87.2 | Confident | 15 Ų | 15 | 23 Ų | 23 | 11% | 0.105 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | -179.7 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | K712 L713 S720 | K712-S716 VanDerWaalsContact O-CB 3.24Å; K712-S716 WeakPolarHBondContact O-CB 3.48Å; K712-S716 PolarHBondContact O-N 3.39Å; K712-S716 PolarHBondContact O-OG 3.47Å; L713-S716 PolarHBondContact O-OG 3.09Å; S716-S720 VanDerWaalsContact O-CB 3.28Å; S716-S720 WeakPolarHBondContact O-CB 3.4Å; S716-S720 PolarHBondContact O-N 3.11Å; S716-S720 PolarHBondContact O-OG 3.16Å |
| 717 | H | 94.7 | Very high | 86.9 | Confident | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.046 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.2 | -42.5 | 178.6 | -74.8 | -139.5 | 0 | 0 | 0 | 111.9 | L713 L714 T715 S720 Y721 D741 E743 V744 H807 | L713-H717 WeakPolarHBondContact CD2-NE2 3.43Å; L713-H717 VanDerWaalsContact O-CB 3.28Å; L713-H717 WeakPolarHBondContact O-CB 3.48Å; L713-H717 PolarHBondContact O-CD2 2.87Å; L713-H717 PolarHBondContact O-N 3.05Å; L713-H717 VanDerWaalsContact O-N 3.11Å; L714-H717 PolarHBondContact O-N 2.88Å; T715-H717 PolarHBondContact O-N 3.34Å; H717-S720 WeakPolarHBondContact O-CB 3.37Å; H717-S720 PolarHBondContact O-N 3.25Å; H717-S720 VanDerWaalsContact O-N 3.15Å; H717-Y721 HydrophobicContact CB-CE2 4.13Å; H717-Y721 WeakPolarHBondContact O-CD2 3.36Å; H717-Y721 PolarHBondContact O-N 3.16Å; H717-D741 IonicContact CE1-OD1 2.75Å; H717-D741 IonicContact CE1-OD2 2.71Å; H717-D741 IonicContact CG-OD2 2.97Å; H717-D741 IonicContact ND1-OD1 3.81Å; H717-D741 IonicContact ND1-OD2 3.89Å; H717-D741 PolarHBondContact ND1-OD2 2.84Å; H717-E743 IonicContact CE1-OE2 2.83Å; H717-V744 HydrophobicContact CB-CG2 3.66Å; H717-H807 AromaticContact CD2-CE1 3.65Å; H717-H807 AromaticContact CE1-CE1 3.89Å; H717-H807 AromaticContact NE2-CE1 3.5Å |
| 718 | A | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L714 T715 S720 Y721 I722 L738 W764 L767 | L714-A718 VanDerWaalsContact O-CB 3.28Å; L714-A718 WeakPolarHBondContact O-CB 3.45Å; L714-A718 PolarHBondContact O-N 3.1Å; T715-A718 PolarHBondContact O-N 2.77Å; A718-S720 VanDerWaalsContact C-N 3.32Å; A718-S720 PolarHBondContact O-N 3.31Å; A718-Y721 PolarHBondContact O-N 3.05Å; A718-I722 WeakPolarHBondContact O-CG1 3.46Å; A718-I722 PolarHBondContact O-N 3.41Å; A718-L738 HydrophobicContact CB-CD1 4.43Å; A718-L738 HydrophobicContact CB-CD2 4.24Å; A718-W764 HydrophobicContact CB-CE3 4.35Å; A718-W764 HydrophobicContact CB-CZ3 4.2Å; A718-L767 HydrophobicContact CB-CD2 3.64Å |
| 719 | I | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 172.9 | -72.5 | 172.2 | 0 | 0 | 0 | 111 | F703 T715 Y721 I722 T723 W788 A797 Y801 | F703-I719 HydrophobicContact CD1-CD1 3.86Å; F703-I719 HydrophobicContact CE1-CD1 4Å; F703-I719 HydrophobicContact CG-CD1 4.37Å; T715-I719 HydrophobicContact CG2-CD1 3.81Å; T715-I719 WeakPolarHBondContact O-CB 3.23Å; T715-I719 WeakPolarHBondContact O-CG1 3.43Å; T715-I719 PolarHBondContact O-N 2.67Å; I719-Y721 PolarHBondContact O-N 3.01Å; I719-I722 PolarHBondContact O-N 2.84Å; I719-T723 VanDerWaalsContact O-CB 3.25Å; I719-T723 WeakPolarHBondContact O-CB 3.39Å; I719-T723 PolarHBondContact O-N 2.86Å; I719-T723 PolarHBondContact O-OG1 3.16Å; I719-W788 HydrophobicContact CG1-CH2 4.41Å; I719-W788 HydrophobicContact CG1-CZ2 4.21Å; I719-W788 HydrophobicContact CG2-CZ2 3.95Å; I719-A797 HydrophobicContact CG2-CB 3.7Å; I719-Y801 HydrophobicContact CB-CD2 4.1Å; I719-Y801 HydrophobicContact CB-CE2 4.07Å; I719-Y801 HydrophobicContact CD1-CE2 3.84Å; I719-Y801 HydrophobicContact CG2-CD2 3.33Å; I719-Y801 HydrophobicContact CG2-CE2 3.56Å; I719-Y801 HydrophobicContact CG2-CG 4.28Å |
| 720 | S | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 175.4 | -61 | 0 | 0 | 0 | 0 | 111.8 | S716 H717 A718 T723 A724 H807 | S716-S720 VanDerWaalsContact O-CB 3.28Å; S716-S720 WeakPolarHBondContact O-CB 3.4Å; S716-S720 PolarHBondContact O-N 3.11Å; S716-S720 PolarHBondContact O-OG 3.16Å; H717-S720 WeakPolarHBondContact O-CB 3.37Å; H717-S720 PolarHBondContact O-N 3.25Å; H717-S720 VanDerWaalsContact O-N 3.15Å; A718-S720 VanDerWaalsContact C-N 3.32Å; A718-S720 PolarHBondContact O-N 3.31Å; S720-T723 PolarHBondContact O-N 2.8Å; S720-A724 WeakPolarHBondContact O-CB 3.45Å; S720-A724 PolarHBondContact O-N 3.09Å; S720-H807 PolarHBondContact OG-NE2 2.81Å |
| 721 | Y | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 179.7 | -72.5 | -60.5 | 0 | 0 | 0 | 112 | H717 A718 I719 A724 S725 L729 L737 L738 D741 I811 N814 I815 | H717-Y721 HydrophobicContact CB-CE2 4.13Å; H717-Y721 WeakPolarHBondContact O-CD2 3.36Å; H717-Y721 PolarHBondContact O-N 3.16Å; A718-Y721 PolarHBondContact O-N 3.05Å; I719-Y721 PolarHBondContact O-N 3.01Å; Y721-A724 PolarHBondContact O-N 2.95Å; Y721-S725 PolarHBondContact O-N 3.24Å; Y721-S725 VanDerWaalsContact O-N 3.14Å; Y721-L729 WeakPolarHBondContact O-CD1 3.27Å; Y721-L737 HydrophobicContact CD1-CB 4.18Å; Y721-L737 HydrophobicContact CD1-CD1 4.09Å; Y721-L737 HydrophobicContact CD1-CD2 4.5Å; Y721-L737 HydrophobicContact CD1-CG 4.49Å; Y721-L737 HydrophobicContact CD2-CB 4.39Å; Y721-L737 HydrophobicContact CE1-CB 4.27Å; Y721-L737 HydrophobicContact CE1-CD2 4.44Å; Y721-L737 HydrophobicContact CE2-CB 4.49Å; Y721-L737 HydrophobicContact CG-CB 4.28Å; Y721-L737 HydrophobicContact CG-CD1 4.36Å; Y721-L738 HydrophobicContact CD2-CD2 4.09Å; Y721-L738 HydrophobicContact CE2-CD2 4.09Å; Y721-D741 PolarHBondContact OH-OD2 3.35Å; Y721-I811 HydrophobicContact CD1-CD1 4.16Å; Y721-I811 HydrophobicContact CD1-CG2 3.83Å; Y721-I811 HydrophobicContact CD2-CD1 4.43Å; Y721-I811 HydrophobicContact CE1-CB 4.49Å; Y721-I811 HydrophobicContact CE1-CD1 3.69Å; Y721-I811 HydrophobicContact CE1-CG2 4.03Å; Y721-I811 HydrophobicContact CE2-CD1 3.98Å; Y721-I811 HydrophobicContact CG-CD1 4.48Å; Y721-N814 HydrophobicContact CE1-CB 3.95Å; Y721-N814 PolarHBondContact OH-ND2 2.74Å; Y721-I815 HydrophobicContact CD1-CD1 4.11Å; Y721-I815 HydrophobicContact CD1-CG1 3.79Å; Y721-I815 HydrophobicContact CE1-CG1 4.21Å |
| 722 | I | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 177.5 | -62 | 163.1 | 0 | 0 | 0 | 110.3 | A718 I719 A724 S725 I734 W764 L775 F787 | A718-I722 WeakPolarHBondContact O-CG1 3.46Å; A718-I722 PolarHBondContact O-N 3.41Å; I719-I722 PolarHBondContact O-N 2.84Å; I722-A724 VanDerWaalsContact C-N 3.31Å; I722-A724 PolarHBondContact O-N 2.85Å; I722-S725 PolarHBondContact O-N 3.25Å; I722-S725 PolarHBondContact O-OG 2.72Å; I722-I734 HydrophobicContact CD1-CD1 4.26Å; I722-I734 HydrophobicContact CG1-CD1 3.96Å; I722-W764 HydrophobicContact CD1-CH2 3.65Å; I722-W764 HydrophobicContact CD1-CZ3 4.13Å; I722-L775 HydrophobicContact CD1-CD1 4.37Å; I722-L775 HydrophobicContact CD1-CD2 4.41Å; I722-L775 HydrophobicContact CG2-CD2 4.22Å; I722-F787 HydrophobicContact CG2-CD2 4.37Å; I722-F787 WeakPolarHBondContact O-CE2 3.48Å |
| 723 | T | 93.7 | Very high | 89.7 | Confident | 8 Ų | 8 | 13 Ų | 13 | 5% | 0.049 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -72.6 | -22.1 | -174.7 | -47.1 | 0 | 0 | 0 | 0 | 113.4 | I719 S720 W788 I794 A797 K798 L802 | I719-T723 VanDerWaalsContact O-CB 3.25Å; I719-T723 WeakPolarHBondContact O-CB 3.39Å; I719-T723 PolarHBondContact O-N 2.86Å; I719-T723 PolarHBondContact O-OG1 3.16Å; S720-T723 PolarHBondContact O-N 2.8Å; T723-W788 PolarHBondContact OG1-NE1 3.27Å; T723-I794 HydrophobicContact CG2-CG2 4.49Å; T723-A797 HydrophobicContact CG2-CB 3.83Å; T723-A797 WeakPolarHBondContact OG1-CB 3.36Å; T723-K798 HydrophobicContact CG2-CG 3.7Å; T723-L802 HydrophobicContact CG2-CD1 3.93Å |
| 724 | A | 93 | Very high | 89.9 | Confident | 4 Ų | 4 | 10.7 Ų | 10.7 | 3% | 0.033 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -91.4 | -16.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S720 Y721 I722 L802 I811 H812 I815 H883 | S720-A724 WeakPolarHBondContact O-CB 3.45Å; S720-A724 PolarHBondContact O-N 3.09Å; Y721-A724 PolarHBondContact O-N 2.95Å; I722-A724 VanDerWaalsContact C-N 3.31Å; I722-A724 PolarHBondContact O-N 2.85Å; A724-L802 HydrophobicContact CB-CD1 4.15Å; A724-L802 HydrophobicContact CB-CD2 4.47Å; A724-I811 HydrophobicContact CB-CG2 3.65Å; A724-H812 PolarHBondContact O-CE1 2.96Å; A724-H812 VanDerWaalsContact O-CE1 3.24Å; A724-I815 HydrophobicContact CB-CD1 4.36Å; A724-H883 PolarHBondContact O-CE1 2.98Å; A724-H883 VanDerWaalsContact O-CE1 3.27Å |
| 725 | S | 91.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 10.6 Ų | 10.6 | 5% | 0.049 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -63 | 152.3 | 174 | 72.8 | 0 | 0 | 0 | 0 | 112 | Y721 I722 G728 | Y721-S725 PolarHBondContact O-N 3.24Å; Y721-S725 VanDerWaalsContact O-N 3.14Å; I722-S725 PolarHBondContact O-N 3.25Å; I722-S725 PolarHBondContact O-OG 2.72Å; S725-G728 WeakPolarHBondContact OG-CA 3.43Å; S725-G728 PolarHBondContact OG-N 3.18Å; S725-G728 VanDerWaalsContact OG-N 3.14Å |
| 726 | R | 84.2 | Confident | 89.9 | Confident | 59 Ų | 59 | 10.8 Ų | 10.8 | 22% | 0.223 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -79.9 | -43 | 179.5 | -164 | -173.8 | -173 | 167.9 | 4.4 | 112 | N878 E879 W882 D919 | R726-N878 PolarHBondContact NH1-O 3.01Å; R726-E879 WeakPolarHBondContact CB-OE2 3.39Å; R726-E879 PolarHBondContact N-OE2 3.35Å; R726-W882 HydrophobicContact CB-CG 4.11Å; R726-W882 HydrophobicContact CG-CD2 4.19Å; R726-W882 HydrophobicContact CG-CG 4.09Å; R726-D919 IonicContact CZ-OD1 2.7Å; R726-D919 VanDerWaalsContact CZ-OD1 3.22Å; R726-D919 IonicContact NH1-OD1 2.71Å; R726-D919 PolarHBondContact NH1-OD1 2.94Å; R726-D919 IonicContact NH1-OD2 2.66Å; R726-D919 IonicContact NH2-OD1 3.81Å; R726-D919 PolarHBondContact NH2-OD1 3.44Å |
| 727 | R | 77.7 | Confident | 90 | Very high | 47 Ų | 47 | 10 Ų | 10 | 18% | 0.177 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -122.4 | 2.8 | -175.9 | -69.5 | -177.9 | 162 | 159.8 | -4.8 | 114.6 | E522 A780 D781 V785 N878 E879 | E522-R727 IonicContact OE1-CZ 3.61Å; E522-R727 IonicContact OE1-NE 2.61Å; E522-R727 PolarHBondContact OE1-NE 2.87Å; E522-R727 IonicContact OE1-NH2 2.64Å; E522-R727 PolarHBondContact OE1-NH2 3.35Å; E522-R727 IonicContact OE2-CZ 3.86Å; E522-R727 IonicContact OE2-NE 3.64Å; E522-R727 IonicContact OE2-NH2 2.72Å; E522-R727 PolarHBondContact OE2-NH2 3.12Å; R727-A780 HydrophobicContact CB-CB 3.67Å; R727-D781 IonicContact CZ-OD1 3.11Å; R727-D781 IonicContact NH1-OD1 3.26Å; R727-D781 PolarHBondContact NH1-OD1 3.3Å; R727-V785 WeakPolarHBondContact O-CG2 3.36Å; R727-N878 PolarHBondContact NH1-ND2 3.08Å; R727-E879 PolarHBondContact N-OE1 3.21Å; R727-E879 VanDerWaalsContact N-OE1 3.09Å |
| 728 | G | 88.1 | Confident | 89.9 | Confident | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | 110.9 | 176.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S725 L786 R875 | S725-G728 WeakPolarHBondContact OG-CA 3.43Å; S725-G728 PolarHBondContact OG-N 3.18Å; S725-G728 VanDerWaalsContact OG-N 3.14Å; G728-L786 VanDerWaalsContact CA-O 3.24Å; G728-L786 WeakPolarHBondContact CA-O 3.34Å; G728-R875 PolarHBondContact O-NH2 3.06Å | ||
| 729 | L | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | B | Isolated β-bridge | trans | -135.5 | 138.3 | 174.9 | -65.4 | 167.2 | 0 | 0 | 0 | 110.2 | Y721 E733 I734 L737 L786 | Y721-L729 WeakPolarHBondContact O-CD1 3.27Å; L729-E733 WeakPolarHBondContact CA-OE2 3.41Å; L729-E733 HydrophobicContact CB-CB 4.24Å; L729-E733 HydrophobicContact CD2-CB 4.2Å; L729-I734 HydrophobicContact CB-CD1 4.15Å; L729-I734 HydrophobicContact CB-CG1 3.6Å; L729-I734 HydrophobicContact CD1-CG1 4.11Å; L729-L737 HydrophobicContact CD1-CD1 3.66Å; L729-L737 HydrophobicContact CD2-CD1 4.01Å; L729-L737 HydrophobicContact CG-CD1 4.47Å; L729-L786 PolarHBondContact N-O 2.73Å; L729-L786 PolarHBondContact O-N 2.89Å |
| 730 | S | 86.6 | Confident | 89.7 | Confident | 19 Ų | 19 | 9.9 Ų | 9.9 | 13% | 0.133 | 5% | 0.048 | C | C | . | . | trans | -69.8 | 158.5 | 170.5 | 73.5 | 0 | 0 | 0 | 0 | 111 | A732 E733 I734 V784 | S730-A732 PolarHBondContact O-N 2.87Å; S730-E733 PolarHBondContact N-OE2 2.87Å; S730-E733 WeakPolarHBondContact O-CA 3.24Å; S730-E733 WeakPolarHBondContact O-CB 3.25Å; S730-E733 PolarHBondContact O-N 2.82Å; S730-E733 VanDerWaalsContact OG-CG 3.31Å; S730-E733 WeakPolarHBondContact OG-CG 3.39Å; S730-E733 PolarHBondContact OG-N 3.37Å; S730-I734 WeakPolarHBondContact O-CG1 3.47Å; S730-I734 PolarHBondContact O-N 2.89Å; S730-V784 VanDerWaalsContact CB-O 3.25Å; S730-V784 WeakPolarHBondContact CB-O 3.31Å | ||
| 731 | E | 82.7 | Confident | 89.6 | Confident | 37 Ų | 37 | 10.1 Ų | 10.1 | 17% | 0.173 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.8 | -34.9 | 178.3 | -66.9 | -168.8 | 178.6 | 0 | 0 | 112.8 | Y32 I734 V735 R768 L786 | Y32-E731 WeakPolarHBondContact OH-CB 3.34Å; E731-I734 PolarHBondContact O-N 2.82Å; E731-V735 WeakPolarHBondContact O-CB 3.33Å; E731-V735 WeakPolarHBondContact O-CG2 3.38Å; E731-V735 PolarHBondContact O-N 2.98Å; E731-R768 WeakPolarHBondContact OE1-CD 3.08Å; E731-R768 IonicContact OE1-CZ 3.44Å; E731-R768 IonicContact OE1-NE 2.93Å; E731-R768 PolarHBondContact OE1-NE 3.19Å; E731-R768 IonicContact OE1-NH1 2.67Å; E731-R768 IonicContact OE1-NH2 2.72Å; E731-L786 HydrophobicContact CG-CD1 3.64Å |
| 732 | A | 81.4 | Confident | 89.3 | Confident | 8 Ų | 8 | 11.4 Ų | 11.4 | 7% | 0.066 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D30 S730 V735 D736 | D30-A732 WeakPolarHBondContact OD2-CB 3.39Å; S730-A732 PolarHBondContact O-N 2.87Å; A732-V735 PolarHBondContact O-N 2.9Å; A732-D736 VanDerWaalsContact O-CB 3.31Å; A732-D736 WeakPolarHBondContact O-CB 3.46Å; A732-D736 PolarHBondContact O-N 3.14Å |
| 733 | E | 89.9 | Confident | 89.1 | Confident | 7 Ų | 7 | 14.6 Ų | 14.6 | 3% | 0.033 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.9 | -69.7 | 172.8 | 157.3 | 0 | 0 | 111 | L729 S730 D736 L737 Y818 R875 | L729-E733 WeakPolarHBondContact CA-OE2 3.41Å; L729-E733 HydrophobicContact CB-CB 4.24Å; L729-E733 HydrophobicContact CD2-CB 4.2Å; S730-E733 PolarHBondContact N-OE2 2.87Å; S730-E733 WeakPolarHBondContact O-CA 3.24Å; S730-E733 WeakPolarHBondContact O-CB 3.25Å; S730-E733 PolarHBondContact O-N 2.82Å; S730-E733 VanDerWaalsContact OG-CG 3.31Å; S730-E733 WeakPolarHBondContact OG-CG 3.39Å; S730-E733 PolarHBondContact OG-N 3.37Å; E733-D736 PolarHBondContact O-N 3.37Å; E733-L737 WeakPolarHBondContact O-CB 3.38Å; E733-L737 WeakPolarHBondContact O-CD1 3.42Å; E733-L737 WeakPolarHBondContact O-CG 3.27Å; E733-L737 PolarHBondContact O-N 2.98Å; E733-Y818 HydrophobicContact CB-CE1 4.41Å; E733-Y818 HydrophobicContact CG-CE1 3.87Å; E733-R875 IonicContact OE1-CZ 2.8Å; E733-R875 IonicContact OE1-NE 2.74Å; E733-R875 PolarHBondContact OE1-NE 2.88Å; E733-R875 IonicContact OE1-NH2 2.65Å; E733-R875 PolarHBondContact OE1-NH2 3.45Å; E733-R875 IonicContact OE2-CZ 2.71Å; E733-R875 IonicContact OE2-NE 3.97Å; E733-R875 IonicContact OE2-NH2 3.24Å; E733-R875 PolarHBondContact OE2-NH2 2.9Å |
| 734 | I | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 177.4 | -63.3 | 170.2 | 0 | 0 | 0 | 110.8 | I722 L729 S730 E731 D736 L737 L738 W764 L786 | I722-I734 HydrophobicContact CD1-CD1 4.26Å; I722-I734 HydrophobicContact CG1-CD1 3.96Å; L729-I734 HydrophobicContact CB-CD1 4.15Å; L729-I734 HydrophobicContact CB-CG1 3.6Å; L729-I734 HydrophobicContact CD1-CG1 4.11Å; S730-I734 WeakPolarHBondContact O-CG1 3.47Å; S730-I734 PolarHBondContact O-N 2.89Å; E731-I734 PolarHBondContact O-N 2.82Å; I734-D736 VanDerWaalsContact C-N 3.35Å; I734-D736 PolarHBondContact O-N 2.93Å; I734-L737 PolarHBondContact O-N 3.36Å; I734-L738 HydrophobicContact CG2-CD1 3.93Å; I734-L738 HydrophobicContact CG2-CG 4.43Å; I734-L738 VanDerWaalsContact O-CG 3.29Å; I734-L738 WeakPolarHBondContact O-CG 3.36Å; I734-L738 PolarHBondContact O-N 3.04Å; I734-W764 HydrophobicContact CD1-CH2 4.09Å; I734-W764 HydrophobicContact CD1-CZ2 3.61Å; I734-W764 HydrophobicContact CG2-CD2 3.71Å; I734-W764 HydrophobicContact CG2-CE3 3.89Å; I734-W764 HydrophobicContact CG2-CG 4.18Å; I734-W764 HydrophobicContact CG2-CZ2 4.32Å; I734-W764 HydrophobicContact CG2-CZ3 4.29Å; I734-L786 HydrophobicContact CD1-CD1 4.41Å |
| 735 | V | 88.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.8 | -33.5 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | E731 A732 S739 P761 W764 | E731-V735 WeakPolarHBondContact O-CB 3.33Å; E731-V735 WeakPolarHBondContact O-CG2 3.38Å; E731-V735 PolarHBondContact O-N 2.98Å; A732-V735 PolarHBondContact O-N 2.9Å; V735-S739 VanDerWaalsContact O-CB 3.3Å; V735-S739 WeakPolarHBondContact O-CB 3.41Å; V735-S739 PolarHBondContact O-N 3.44Å; V735-S739 PolarHBondContact O-OG 2.82Å; V735-P761 HydrophobicContact CG1-CG 4.28Å; V735-W764 HydrophobicContact CG2-CB 3.9Å; V735-W764 HydrophobicContact CG2-CG 4.03Å |
| 736 | D | 90.2 | Very high | 88.3 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 171.7 | -82.2 | -29.4 | 0 | 0 | 0 | 111.7 | A732 E733 I734 S739 L740 R758 Y818 V852 P853 | A732-D736 VanDerWaalsContact O-CB 3.31Å; A732-D736 WeakPolarHBondContact O-CB 3.46Å; A732-D736 PolarHBondContact O-N 3.14Å; E733-D736 PolarHBondContact O-N 3.37Å; I734-D736 VanDerWaalsContact C-N 3.35Å; I734-D736 PolarHBondContact O-N 2.93Å; D736-S739 CarbonylContact O-C 3.56Å; D736-S739 WeakPolarHBondContact O-CA 3.42Å; D736-S739 VanDerWaalsContact O-CB 3.29Å; D736-S739 WeakPolarHBondContact O-CB 3.41Å; D736-S739 PolarHBondContact O-N 2.86Å; D736-L740 WeakPolarHBondContact O-CG 3.25Å; D736-L740 PolarHBondContact O-N 2.86Å; D736-R758 IonicContact OD1-CZ 2.72Å; D736-R758 IonicContact OD1-NH1 3.73Å; D736-R758 PolarHBondContact OD1-NH1 3.4Å; D736-R758 IonicContact OD1-NH2 3.25Å; D736-R758 PolarHBondContact OD1-NH2 3.19Å; D736-Y818 HydrophobicContact CB-CD2 4.02Å; D736-Y818 HydrophobicContact CB-CE2 3.45Å; D736-Y818 VanDerWaalsContact CB-CE2 3.45Å; D736-Y818 WeakPolarHBondContact OD2-CE2 3.26Å; D736-Y818 PolarHBondContact OD2-OH 3.22Å; D736-V852 HydrophobicContact CB-CG1 4.08Å; D736-P853 WeakPolarHBondContact OD2-CD 3.29Å |
| 737 | L | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 178.2 | -70.7 | 164.8 | 0 | 0 | 0 | 111.9 | Y721 L729 E733 I734 S739 L740 D741 I815 Y818 | Y721-L737 HydrophobicContact CD1-CB 4.18Å; Y721-L737 HydrophobicContact CD1-CD1 4.09Å; Y721-L737 HydrophobicContact CD1-CD2 4.5Å; Y721-L737 HydrophobicContact CD1-CG 4.49Å; Y721-L737 HydrophobicContact CD2-CB 4.39Å; Y721-L737 HydrophobicContact CE1-CB 4.27Å; Y721-L737 HydrophobicContact CE1-CD2 4.44Å; Y721-L737 HydrophobicContact CE2-CB 4.49Å; Y721-L737 HydrophobicContact CG-CB 4.28Å; Y721-L737 HydrophobicContact CG-CD1 4.36Å; L729-L737 HydrophobicContact CD1-CD1 3.66Å; L729-L737 HydrophobicContact CD2-CD1 4.01Å; L729-L737 HydrophobicContact CG-CD1 4.47Å; E733-L737 WeakPolarHBondContact O-CB 3.38Å; E733-L737 WeakPolarHBondContact O-CD1 3.42Å; E733-L737 WeakPolarHBondContact O-CG 3.27Å; E733-L737 PolarHBondContact O-N 2.98Å; I734-L737 PolarHBondContact O-N 3.36Å; L737-S739 PolarHBondContact O-N 2.86Å; L737-L740 PolarHBondContact O-N 3.35Å; L737-D741 PolarHBondContact O-N 2.84Å; L737-D741 VanDerWaalsContact O-N 3.13Å; L737-I815 HydrophobicContact CD1-CG1 4.08Å; L737-I815 HydrophobicContact CD1-CG2 4.39Å; L737-I815 HydrophobicContact CD2-CB 4.19Å; L737-I815 HydrophobicContact CD2-CG1 3.96Å; L737-I815 HydrophobicContact CD2-CG2 4.31Å; L737-Y818 HydrophobicContact CD2-CG 4.17Å |
| 738 | L | 93 | Very high | 88.3 | Confident | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -23.4 | 171.8 | -63.8 | 171.9 | 0 | 0 | 0 | 112.2 | L714 A718 Y721 I734 V744 A759 W764 | L714-L738 HydrophobicContact CD1-CD1 4.35Å; L714-L738 HydrophobicContact CD1-CD2 4.49Å; A718-L738 HydrophobicContact CB-CD1 4.43Å; A718-L738 HydrophobicContact CB-CD2 4.24Å; Y721-L738 HydrophobicContact CD2-CD2 4.09Å; Y721-L738 HydrophobicContact CE2-CD2 4.09Å; I734-L738 HydrophobicContact CG2-CD1 3.93Å; I734-L738 HydrophobicContact CG2-CG 4.43Å; I734-L738 VanDerWaalsContact O-CG 3.29Å; I734-L738 WeakPolarHBondContact O-CG 3.36Å; I734-L738 PolarHBondContact O-N 3.04Å; L738-V744 HydrophobicContact CD2-CG1 4.23Å; L738-V744 HydrophobicContact CD2-CG2 4.28Å; L738-A759 HydrophobicContact CB-CB 3.93Å; L738-W764 HydrophobicContact CD1-CB 4.37Å |
| 739 | S | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -82.1 | -16.3 | 173.3 | -60.5 | 0 | 0 | 0 | 0 | 114.4 | V735 D736 L737 L745 R758 A759 R850 | V735-S739 VanDerWaalsContact O-CB 3.3Å; V735-S739 WeakPolarHBondContact O-CB 3.41Å; V735-S739 PolarHBondContact O-N 3.44Å; V735-S739 PolarHBondContact O-OG 2.82Å; D736-S739 CarbonylContact O-C 3.56Å; D736-S739 WeakPolarHBondContact O-CA 3.42Å; D736-S739 VanDerWaalsContact O-CB 3.29Å; D736-S739 WeakPolarHBondContact O-CB 3.41Å; D736-S739 PolarHBondContact O-N 2.86Å; L737-S739 PolarHBondContact O-N 2.86Å; S739-L745 WeakPolarHBondContact O-CD1 3.44Å; S739-R758 WeakPolarHBondContact OG-CG 3.26Å; S739-A759 WeakPolarHBondContact OG-CB 3.48Å; S739-A759 PolarHBondContact OG-N 2.87Å; S739-R850 PolarHBondContact O-NH1 2.66Å |
| 740 | L | 91.1 | Very high | 87 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -91.2 | -14.7 | 170.9 | -65.8 | 176.9 | 0 | 0 | 0 | 112.2 | D736 L737 D742 Y818 W823 K828 R850 V852 | D736-L740 WeakPolarHBondContact O-CG 3.25Å; D736-L740 PolarHBondContact O-N 2.86Å; L737-L740 PolarHBondContact O-N 3.35Å; L740-D742 PolarHBondContact O-N 3.3Å; L740-Y818 HydrophobicContact CD1-CD2 4.25Å; L740-W823 HydrophobicContact CD2-CB 3.67Å; L740-W823 HydrophobicContact CD2-CG 3.81Å; L740-K828 PolarHBondContact O-NZ 3.38Å; L740-R850 HydrophobicContact CD2-CB 4.29Å; L740-R850 HydrophobicContact CD2-CG 4.27Å; L740-V852 HydrophobicContact CD1-CG1 4.48Å; L740-V852 HydrophobicContact CD2-CG1 4.03Å; L740-V852 HydrophobicContact CD2-CG2 4.45Å; L740-V852 HydrophobicContact CG-CG1 4.13Å |
| 741 | D | 92.9 | Very high | 86 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | trans | -87.2 | 100.2 | -178.4 | -160 | -45.3 | 0 | 0 | 0 | 112.6 | H717 Y721 L737 E743 V744 L745 | H717-D741 IonicContact CE1-OD1 2.75Å; H717-D741 IonicContact CE1-OD2 2.71Å; H717-D741 IonicContact CG-OD2 2.97Å; H717-D741 IonicContact ND1-OD1 3.81Å; H717-D741 IonicContact ND1-OD2 3.89Å; H717-D741 PolarHBondContact ND1-OD2 2.84Å; Y721-D741 PolarHBondContact OH-OD2 3.35Å; L737-D741 PolarHBondContact O-N 2.84Å; L737-D741 VanDerWaalsContact O-N 3.13Å; D741-E743 PolarHBondContact O-N 2.82Å; D741-E743 PolarHBondContact OD1-N 2.79Å; D741-V744 HydrophobicContact CB-CB 4.16Å; D741-V744 HydrophobicContact CB-CG2 4.03Å; D741-V744 PolarHBondContact O-N 2.84Å; D741-V744 PolarHBondContact OD1-N 2.87Å; D741-L745 VanDerWaalsContact O-CG 3.28Å; D741-L745 WeakPolarHBondContact O-CG 3.26Å; D741-L745 PolarHBondContact O-N 2.91Å | ||
| 742 | D | 90.5 | Very high | 85.2 | Confident | 28 Ų | 28 | 29 Ų | 29 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -11 | -176.9 | -61 | -63.1 | 0 | 0 | 0 | 113.9 | L740 R746 K828 F830 R850 | L740-D742 PolarHBondContact O-N 3.3Å; D742-R746 VanDerWaalsContact O-CG 3.24Å; D742-R746 WeakPolarHBondContact O-CG 3.45Å; D742-R746 PolarHBondContact O-N 2.85Å; D742-R746 PolarHBondContact O-NE 3.42Å; D742-R746 PolarHBondContact O-NH1 2.75Å; D742-K828 VanDerWaalsContact OD2-CE 3.3Å; D742-K828 WeakPolarHBondContact OD2-CE 3.42Å; D742-K828 IonicContact OD2-NZ 3.85Å; D742-K828 PolarHBondContact OD2-NZ 2.66Å; D742-F830 HydrophobicContact CB-CD2 4.4Å; D742-F830 WeakPolarHBondContact OD1-CD2 3.39Å; D742-R850 IonicContact OD1-CZ 3.34Å; D742-R850 VanDerWaalsContact OD1-CZ 3.25Å; D742-R850 IonicContact OD1-NH1 3.72Å; D742-R850 PolarHBondContact OD1-NH1 3.21Å; D742-R850 IonicContact OD1-NH2 2.72Å; D742-R850 PolarHBondContact OD1-NH2 3.39Å |
| 743 | E | 89.2 | Confident | 84.9 | Confident | 66 Ų | 66 | 30.7 Ų | 30.7 | 31% | 0.308 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -49.5 | 172.9 | -76.1 | 160 | -142.2 | 0 | 0 | 110.7 | L713 H717 D741 L745 R746 D747 K810 | L713-E743 HydrophobicContact CD1-CB 4.15Å; L713-E743 HydrophobicContact CD2-CB 3.73Å; H717-E743 IonicContact CE1-OE2 2.83Å; D741-E743 PolarHBondContact O-N 2.82Å; D741-E743 PolarHBondContact OD1-N 2.79Å; E743-L745 PolarHBondContact O-N 2.98Å; E743-R746 PolarHBondContact O-N 2.96Å; E743-D747 PolarHBondContact O-N 2.93Å; E743-K810 IonicContact OE1-NZ 2.72Å; E743-K810 PolarHBondContact OE1-NZ 3.4Å; E743-K810 IonicContact OE2-NZ 2.88Å; E743-K810 PolarHBondContact OE2-NZ 3.36Å |
| 744 | V | 89.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.2 | -43.2 | 173.5 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | L713 L714 H717 L738 D741 R746 D747 V748 | L713-V744 HydrophobicContact CD2-CB 4.41Å; L713-V744 HydrophobicContact CD2-CG2 3.69Å; L714-V744 HydrophobicContact CB-CG1 4.41Å; L714-V744 HydrophobicContact CD1-CG1 3.74Å; H717-V744 HydrophobicContact CB-CG2 3.66Å; L738-V744 HydrophobicContact CD2-CG1 4.23Å; L738-V744 HydrophobicContact CD2-CG2 4.28Å; D741-V744 HydrophobicContact CB-CB 4.16Å; D741-V744 HydrophobicContact CB-CG2 4.03Å; D741-V744 PolarHBondContact O-N 2.84Å; D741-V744 PolarHBondContact OD1-N 2.87Å; V744-R746 VanDerWaalsContact C-N 3.32Å; V744-R746 PolarHBondContact O-N 3.28Å; V744-D747 WeakPolarHBondContact O-CB 3.38Å; V744-D747 PolarHBondContact O-N 3.23Å; V744-V748 HydrophobicContact CG1-CG2 4.04Å; V744-V748 WeakPolarHBondContact O-CB 3.44Å; V744-V748 VanDerWaalsContact O-CG2 3.31Å; V744-V748 WeakPolarHBondContact O-CG2 2.97Å; V744-V748 PolarHBondContact O-N 3.31Å |
| 745 | L | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.3 | -24 | 178 | -65.4 | 174.7 | 0 | 0 | 0 | 114 | S739 D741 E743 F749 V757 A759 F830 | S739-L745 WeakPolarHBondContact O-CD1 3.44Å; D741-L745 VanDerWaalsContact O-CG 3.28Å; D741-L745 WeakPolarHBondContact O-CG 3.26Å; D741-L745 PolarHBondContact O-N 2.91Å; E743-L745 PolarHBondContact O-N 2.98Å; L745-F749 HydrophobicContact CB-CD2 4.24Å; L745-F749 HydrophobicContact CB-CE2 4.02Å; L745-F749 HydrophobicContact CD2-CE2 3.72Å; L745-F749 HydrophobicContact CD2-CZ 3.79Å; L745-F749 HydrophobicContact CG-CE2 4.37Å; L745-F749 VanDerWaalsContact O-CB 3.24Å; L745-F749 WeakPolarHBondContact O-CB 3.29Å; L745-F749 WeakPolarHBondContact O-CD2 3.33Å; L745-F749 WeakPolarHBondContact O-CG 3.39Å; L745-F749 PolarHBondContact O-N 3.48Å; L745-V757 HydrophobicContact CD1-CG1 4.48Å; L745-A759 HydrophobicContact CD2-CB 3.96Å; L745-F830 HydrophobicContact CB-CE2 3.78Å; L745-F830 HydrophobicContact CB-CZ 4.23Å |
| 746 | R | 84.8 | Confident | 82.4 | Confident | 87 Ų | 87 | 34.9 Ų | 34.9 | 33% | 0.328 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -76.8 | -33.9 | 172.3 | -79.3 | -174.8 | -51.2 | -97.6 | 14.6 | 112.1 | D742 E743 V744 E750 F830 Y831 P833 | D742-R746 VanDerWaalsContact O-CG 3.24Å; D742-R746 WeakPolarHBondContact O-CG 3.45Å; D742-R746 PolarHBondContact O-N 2.85Å; D742-R746 PolarHBondContact O-NE 3.42Å; D742-R746 PolarHBondContact O-NH1 2.75Å; E743-R746 PolarHBondContact O-N 2.96Å; V744-R746 VanDerWaalsContact C-N 3.32Å; V744-R746 PolarHBondContact O-N 3.28Å; R746-E750 PolarHBondContact O-N 2.99Å; R746-F830 HydrophobicContact CG-CE2 3.96Å; R746-F830 HydrophobicContact CG-CZ 4Å; R746-Y831 VanDerWaalsContact CD-O 3.29Å; R746-Y831 WeakPolarHBondContact CD-O 3.38Å; R746-Y831 WeakPolarHBondContact CG-O 3.13Å; R746-P833 HydrophobicContact CB-CG 4.38Å; R746-P833 HydrophobicContact CG-CG 4.39Å |
| 747 | D | 81.7 | Confident | 82.1 | Confident | 70 Ų | 70 | 34.8 Ų | 34.8 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.4 | -57 | 175.3 | -161.2 | 47.5 | 0 | 0 | 0 | 110.3 | L713 E743 V744 F749 E750 | L713-D747 HydrophobicContact CB-CB 4.34Å; E743-D747 PolarHBondContact O-N 2.93Å; V744-D747 WeakPolarHBondContact O-CB 3.38Å; V744-D747 PolarHBondContact O-N 3.23Å; D747-F749 PolarHBondContact O-N 2.86Å; D747-F749 VanDerWaalsContact O-N 3.14Å; D747-E750 PolarHBondContact O-N 3.28Å; D747-E750 VanDerWaalsContact O-N 3.1Å |
| 748 | V | 80.1 | Confident | 81.6 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 20% | 0.2 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -26.7 | 179.7 | 174.9 | 0 | 0 | 0 | 0 | 113.1 | L714 V744 P760 V763 | L714-V748 HydrophobicContact CD1-CG2 4.45Å; V744-V748 HydrophobicContact CG1-CG2 4.04Å; V744-V748 WeakPolarHBondContact O-CB 3.44Å; V744-V748 VanDerWaalsContact O-CG2 3.31Å; V744-V748 WeakPolarHBondContact O-CG2 2.97Å; V744-V748 PolarHBondContact O-N 3.31Å; V748-P760 HydrophobicContact CG1-CG 3.99Å; V748-V763 HydrophobicContact CG1-CG2 4.22Å; V748-V763 HydrophobicContact CG2-CG1 4.12Å |
| 749 | F | 79.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 23.9 | 177.2 | -53.8 | -32.3 | 0 | 0 | 0 | 114.4 | W38 L745 D747 H751 P754 V757 R758 P760 F830 L836 | W38-F749 HydrophobicContact CZ2-CE1 4.14Å; L745-F749 HydrophobicContact CB-CD2 4.24Å; L745-F749 HydrophobicContact CB-CE2 4.02Å; L745-F749 HydrophobicContact CD2-CE2 3.72Å; L745-F749 HydrophobicContact CD2-CZ 3.79Å; L745-F749 HydrophobicContact CG-CE2 4.37Å; L745-F749 VanDerWaalsContact O-CB 3.24Å; L745-F749 WeakPolarHBondContact O-CB 3.29Å; L745-F749 WeakPolarHBondContact O-CD2 3.33Å; L745-F749 WeakPolarHBondContact O-CG 3.39Å; L745-F749 PolarHBondContact O-N 3.48Å; D747-F749 PolarHBondContact O-N 2.86Å; D747-F749 VanDerWaalsContact O-N 3.14Å; F749-H751 VanDerWaalsContact C-N 3.29Å; F749-H751 PolarHBondContact O-N 3.41Å; F749-P754 HydrophobicContact CD1-CG 4.2Å; F749-P754 HydrophobicContact CD2-CG 4.43Å; F749-P754 HydrophobicContact CE1-CG 3.71Å; F749-P754 HydrophobicContact CE2-CG 3.97Å; F749-P754 HydrophobicContact CZ-CG 3.59Å; F749-V757 HydrophobicContact CD2-CG1 4.35Å; F749-V757 HydrophobicContact CE2-CG1 3.84Å; F749-R758 WeakPolarHBondContact CZ-O 3.24Å; F749-P760 HydrophobicContact CE1-CG 4.18Å; F749-F830 HydrophobicContact CD2-CE1 4.43Å; F749-F830 HydrophobicContact CD2-CZ 4.08Å; F749-L836 WeakPolarHBondContact O-CD1 3.41Å |
| 750 | E | 71.7 | Confident | 80.4 | Confident | 89 Ų | 89 | 37 Ų | 37 | 42% | 0.416 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -51.8 | -44.2 | -178.9 | -159.1 | -148 | 154.6 | 0 | 0 | 113.2 | R746 D747 Y835 L836 | R746-E750 PolarHBondContact O-N 2.99Å; D747-E750 PolarHBondContact O-N 3.28Å; D747-E750 VanDerWaalsContact O-N 3.1Å; E750-Y835 WeakPolarHBondContact O-CD1 3.36Å; E750-L836 WeakPolarHBondContact O-CG 3.39Å |
| 751 | H | 65.2 | Low | 79.5 | Confident | 74 Ų | 74 | 38.2 Ų | 38.2 | 34% | 0.343 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -105.5 | -22.4 | -171 | -66.9 | -44.2 | 0 | 0 | 0 | 115.9 | N42 F749 Y835 K839 | N42-H751 PolarHBondContact ND2-CD2 3.48Å; N42-H751 PolarHBondContact ND2-NE2 3.14Å; F749-H751 VanDerWaalsContact C-N 3.29Å; F749-H751 PolarHBondContact O-N 3.41Å; H751-Y835 AromaticContact ND1-CE1 3.99Å; H751-K839 PolarHBondContact O-NZ 2.86Å |
| 752 | H | 66.9 | Low | 78.4 | Confident | 129 Ų | 129 | 38.3 Ų | 38.3 | 60% | 0.597 | 19% | 0.189 | S | C | * | . | trans | -147.2 | 124.4 | -174.7 | -69.6 | 98.1 | 0 | 0 | 0 | 111.8 | ||||
| 753 | L | 73.5 | Confident | 77.7 | Confident | 44 Ų | 44 | 37.7 Ų | 37.7 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | trans | -89.2 | 129.1 | 172.9 | -171 | 73.5 | 0 | 0 | 0 | 110.7 | V757 F830 Y832 L836 L840 L842 | L753-V757 HydrophobicContact CD1-CG2 4.26Å; L753-F830 HydrophobicContact CD1-CE1 4.13Å; L753-Y832 HydrophobicContact CD1-CD1 3.66Å; L753-Y832 HydrophobicContact CD1-CE1 3.73Å; L753-Y832 HydrophobicContact CD2-CD1 3.86Å; L753-Y832 HydrophobicContact CD2-CE1 3.44Å; L753-Y832 VanDerWaalsContact CD2-CE1 3.44Å; L753-Y832 HydrophobicContact CG-CD1 4.44Å; L753-Y832 HydrophobicContact CG-CE1 4.24Å; L753-L836 HydrophobicContact CB-CD1 4Å; L753-L840 HydrophobicContact CB-CD1 4.37Å; L753-L842 HydrophobicContact CD2-CD1 3.73Å | ||
| 754 | P | 74.4 | Confident | 77.4 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | trans | -76.2 | 163.8 | 172 | 30.7 | -36.5 | 0 | 0 | 0 | 113.7 | M12 W38 F749 Q756 | M12-P754 HydrophobicContact CE-CB 4.03Å; W38-P754 HydrophobicContact CH2-CB 4.2Å; W38-P754 HydrophobicContact CZ2-CB 3.58Å; W38-P754 HydrophobicContact CZ2-CG 3.96Å; F749-P754 HydrophobicContact CD1-CG 4.2Å; F749-P754 HydrophobicContact CD2-CG 4.43Å; F749-P754 HydrophobicContact CE1-CG 3.71Å; F749-P754 HydrophobicContact CE2-CG 3.97Å; F749-P754 HydrophobicContact CZ-CG 3.59Å; P754-Q756 WeakPolarHBondContact CG-O 3.48Å; P754-Q756 PolarHBondContact O-N 2.86Å | ||
| 755 | P | 69.5 | Low | 76.7 | Confident | 43 Ų | 43 | 35.1 Ų | 35.1 | 28% | 0.279 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -67 | -10 | 173.5 | -20.9 | 33.7 | 0 | 0 | 0 | 115.7 | N9 K13 | N9-P755 HydrophobicContact CB-CG 3.78Å; N9-P755 WeakPolarHBondContact OD1-CD 3.49Å; N9-P755 WeakPolarHBondContact OD1-CG 3.23Å; K13-P755 HydrophobicContact CB-CB 4.04Å; K13-P755 HydrophobicContact CD-CB 4.02Å; K13-P755 HydrophobicContact CG-CB 4.33Å |
| 756 | Q | 74.6 | Confident | 76.1 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -144.1 | 124.9 | 177.2 | 178.6 | -173.7 | -13.6 | 0 | 0 | 107.5 | P754 R758 M851 | P754-Q756 WeakPolarHBondContact CG-O 3.48Å; P754-Q756 PolarHBondContact O-N 2.86Å; Q756-R758 HydrophobicContact CG-CB 4.38Å; Q756-R758 PolarHBondContact O-N 3.3Å; Q756-M851 VanDerWaalsContact NE2-CG 3.28Å |
| 757 | V | 82.9 | Confident | 76 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | trans | -86.3 | 81 | -172.3 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | L745 F749 L753 F830 E848 R850 | L745-V757 HydrophobicContact CD1-CG1 4.48Å; F749-V757 HydrophobicContact CD2-CG1 4.35Å; F749-V757 HydrophobicContact CE2-CG1 3.84Å; L753-V757 HydrophobicContact CD1-CG2 4.26Å; V757-F830 HydrophobicContact CG1-CB 4.29Å; V757-F830 HydrophobicContact CG1-CD1 3.61Å; V757-F830 HydrophobicContact CG1-CD2 3.94Å; V757-F830 HydrophobicContact CG1-CE1 3.78Å; V757-F830 HydrophobicContact CG1-CE2 4.13Å; V757-F830 HydrophobicContact CG1-CG 3.69Å; V757-F830 HydrophobicContact CG1-CZ 4.04Å; V757-F830 HydrophobicContact CG2-CD1 4.3Å; V757-E848 HydrophobicContact CB-CB 3.98Å; V757-E848 HydrophobicContact CB-CG 3.95Å; V757-E848 HydrophobicContact CG2-CB 4.22Å; V757-E848 HydrophobicContact CG2-CG 3.67Å; V757-R850 WeakPolarHBondContact O-CD 3.43Å | ||
| 758 | R | 84.1 | Confident | 76 | Confident | 37 Ų | 37 | 30.9 Ų | 30.9 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -142.2 | 145.3 | -177.4 | -175.3 | -174.4 | 165.9 | 85.3 | 8.7 | 109.4 | D736 S739 F749 Q756 R850 M851 | D736-R758 IonicContact OD1-CZ 2.72Å; D736-R758 IonicContact OD1-NH1 3.73Å; D736-R758 PolarHBondContact OD1-NH1 3.4Å; D736-R758 IonicContact OD1-NH2 3.25Å; D736-R758 PolarHBondContact OD1-NH2 3.19Å; S739-R758 WeakPolarHBondContact OG-CG 3.26Å; F749-R758 WeakPolarHBondContact CZ-O 3.24Å; Q756-R758 HydrophobicContact CG-CB 4.38Å; Q756-R758 PolarHBondContact O-N 3.3Å; R758-R850 WeakPolarHBondContact CD-O 3.49Å; R758-R850 PolarHBondContact NH1-O 3.28Å; R758-M851 PolarHBondContact NH1-O 3.35Å |
| 759 | A | 83.1 | Confident | 75.6 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | trans | -59 | 132.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | L738 S739 L745 P761 | L738-A759 HydrophobicContact CB-CB 3.93Å; S739-A759 WeakPolarHBondContact OG-CB 3.48Å; S739-A759 PolarHBondContact OG-N 2.87Å; L745-A759 HydrophobicContact CD2-CB 3.96Å; A759-P761 WeakPolarHBondContact O-CD 3.36Å | ||
| 760 | P | 75.5 | Confident | 75.5 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | trans | -68.5 | 125.4 | 174.9 | -12.5 | 27 | 0 | 0 | 0 | 109.6 | W38 V748 F749 F762 V763 | W38-P760 HydrophobicContact CD2-CB 4.16Å; W38-P760 HydrophobicContact CD2-CG 4.19Å; W38-P760 HydrophobicContact CE3-CB 3.82Å; W38-P760 HydrophobicContact CE3-CG 4.28Å; W38-P760 HydrophobicContact CH2-CB 3.78Å; W38-P760 HydrophobicContact CH2-CG 3.71Å; W38-P760 HydrophobicContact CZ2-CB 4.14Å; W38-P760 HydrophobicContact CZ2-CG 3.62Å; W38-P760 HydrophobicContact CZ3-CB 3.63Å; W38-P760 HydrophobicContact CZ3-CG 4.06Å; V748-P760 HydrophobicContact CG1-CG 3.99Å; F749-P760 HydrophobicContact CE1-CG 4.18Å; P760-F762 VanDerWaalsContact C-N 3.26Å; P760-F762 PolarHBondContact O-N 3.27Å; P760-V763 HydrophobicContact CB-CB 4.42Å; P760-V763 HydrophobicContact CB-CG2 3.91Å; P760-V763 HydrophobicContact CG-CG2 3.9Å; P760-V763 WeakPolarHBondContact O-CB 3.5Å; P760-V763 PolarHBondContact O-N 2.88Å | ||
| 761 | P | 71.7 | Confident | 76.1 | Confident | 30 Ų | 30 | 28.3 Ų | 28.3 | 20% | 0.195 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57 | -39.9 | -179.6 | -25.3 | 33.6 | 0 | 0 | 0 | 113.1 | Y32 V735 A759 V763 W764 T765 | Y32-P761 HydrophobicContact CD1-CB 3.51Å; Y32-P761 HydrophobicContact CD1-CG 3.95Å; Y32-P761 HydrophobicContact CE1-CB 4.03Å; Y32-P761 HydrophobicContact CE1-CG 4.48Å; Y32-P761 HydrophobicContact CG-CB 4.39Å; V735-P761 HydrophobicContact CG1-CG 4.28Å; A759-P761 WeakPolarHBondContact O-CD 3.36Å; P761-V763 PolarHBondContact O-N 3.4Å; P761-V763 VanDerWaalsContact O-N 3.11Å; P761-W764 CarbonylContact O-C 3.46Å; P761-W764 WeakPolarHBondContact O-CA 3.38Å; P761-W764 WeakPolarHBondContact O-CB 3.33Å; P761-W764 PolarHBondContact O-N 3.12Å; P761-T765 PolarHBondContact O-N 3.48Å; P761-T765 PolarHBondContact O-OG1 2.84Å; P761-T765 VanDerWaalsContact O-OG1 3.11Å |
| 762 | F | 70.5 | Confident | 76.7 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -51.8 | -32.6 | 175.6 | 173.7 | -129 | 0 | 0 | 0 | 114.5 | I34 W38 V40 E57 P760 W764 T765 R766 | I34-F762 HydrophobicContact CG1-CB 4.38Å; I34-F762 HydrophobicContact CG2-CB 4.4Å; I34-F762 HydrophobicContact CG2-CD2 3.64Å; I34-F762 HydrophobicContact CG2-CE2 4.07Å; I34-F762 HydrophobicContact CG2-CG 4.08Å; W38-F762 VanDerWaalsContact O-CD1 3.26Å; W38-F762 WeakPolarHBondContact O-CD1 3.38Å; W38-F762 WeakPolarHBondContact O-CE1 3.27Å; V40-F762 HydrophobicContact CG2-CE1 4.12Å; E57-F762 HydrophobicContact CG-CD2 4.33Å; E57-F762 HydrophobicContact CG-CE2 3.68Å; E57-F762 WeakPolarHBondContact OE2-CE2 3.5Å; P760-F762 VanDerWaalsContact C-N 3.26Å; P760-F762 PolarHBondContact O-N 3.27Å; F762-W764 VanDerWaalsContact C-N 3.32Å; F762-T765 PolarHBondContact O-N 3.09Å; F762-R766 HydrophobicContact CD2-CG 3.97Å; F762-R766 HydrophobicContact CE2-CG 3.49Å; F762-R766 VanDerWaalsContact CE2-CG 3.49Å; F762-R766 VanDerWaalsContact CZ-CD 3.43Å; F762-R766 HydrophobicContact CZ-CG 3.99Å; F762-R766 PolarHBondContact O-N 2.82Å |
| 763 | V | 75.9 | Confident | 77 | Confident | 14 Ų | 14 | 24.7 Ų | 24.7 | 9% | 0.085 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.8 | -33.4 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 111 | L714 V748 P760 P761 | L714-V763 HydrophobicContact CD1-CG1 3.73Å; L714-V763 HydrophobicContact CD2-CG1 3.28Å; L714-V763 HydrophobicContact CG-CG1 4.14Å; V748-V763 HydrophobicContact CG1-CG2 4.22Å; V748-V763 HydrophobicContact CG2-CG1 4.12Å; P760-V763 HydrophobicContact CB-CB 4.42Å; P760-V763 HydrophobicContact CB-CG2 3.91Å; P760-V763 HydrophobicContact CG-CG2 3.9Å; P760-V763 WeakPolarHBondContact O-CB 3.5Å; P760-V763 PolarHBondContact O-N 2.88Å; P761-V763 PolarHBondContact O-N 3.4Å; P761-V763 VanDerWaalsContact O-N 3.11Å |
| 764 | W | 83.4 | Confident | 77.4 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.4 | -46.1 | 167.1 | 167.5 | -115.6 | 0 | 0 | 0 | 111.7 | A718 I722 I734 V735 L738 P761 F762 R766 L767 R768 L771 L775 L786 | A718-W764 HydrophobicContact CB-CE3 4.35Å; A718-W764 HydrophobicContact CB-CZ3 4.2Å; I722-W764 HydrophobicContact CD1-CH2 3.65Å; I722-W764 HydrophobicContact CD1-CZ3 4.13Å; I734-W764 HydrophobicContact CD1-CH2 4.09Å; I734-W764 HydrophobicContact CD1-CZ2 3.61Å; I734-W764 HydrophobicContact CG2-CD2 3.71Å; I734-W764 HydrophobicContact CG2-CE3 3.89Å; I734-W764 HydrophobicContact CG2-CG 4.18Å; I734-W764 HydrophobicContact CG2-CZ2 4.32Å; I734-W764 HydrophobicContact CG2-CZ3 4.29Å; V735-W764 HydrophobicContact CG2-CB 3.9Å; V735-W764 HydrophobicContact CG2-CG 4.03Å; L738-W764 HydrophobicContact CD1-CB 4.37Å; P761-W764 CarbonylContact O-C 3.46Å; P761-W764 WeakPolarHBondContact O-CA 3.38Å; P761-W764 WeakPolarHBondContact O-CB 3.33Å; P761-W764 PolarHBondContact O-N 3.12Å; F762-W764 VanDerWaalsContact C-N 3.32Å; W764-R766 VanDerWaalsContact C-N 3.32Å; W764-R766 PolarHBondContact O-N 3.32Å; W764-L767 HydrophobicContact CE3-CB 4.28Å; W764-L767 HydrophobicContact CE3-CD2 4.26Å; W764-L767 HydrophobicContact CE3-CG 4.46Å; W764-L767 HydrophobicContact CZ3-CB 4.44Å; W764-L767 HydrophobicContact CZ3-CD2 4.14Å; W764-L767 HydrophobicContact CZ3-CG 4.21Å; W764-L767 CarbonylContact O-C 3.55Å; W764-L767 WeakPolarHBondContact O-CA 3.34Å; W764-L767 PolarHBondContact O-N 3.17Å; W764-R768 HydrophobicContact CH2-CB 4.2Å; W764-R768 HydrophobicContact CZ2-CB 3.81Å; W764-R768 HydrophobicContact CZ2-CG 4.06Å; W764-R768 PolarHBondContact O-N 3.19Å; W764-L771 HydrophobicContact CH2-CD1 4.24Å; W764-L771 HydrophobicContact CZ3-CD1 4.3Å; W764-L775 HydrophobicContact CH2-CD1 4.08Å; W764-L775 HydrophobicContact CZ2-CD1 4.5Å; W764-L786 HydrophobicContact CZ2-CD1 3.93Å |
| 765 | T | 73.6 | Confident | 77.9 | Confident | 10 Ų | 10 | 23.9 Ų | 23.9 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -52.3 | -47.9 | -179.8 | -50.1 | 0 | 0 | 0 | 0 | 112 | I34 P761 F762 L767 R768 N769 | I34-T765 HydrophobicContact CD1-CG2 4.46Å; P761-T765 PolarHBondContact O-N 3.48Å; P761-T765 PolarHBondContact O-OG1 2.84Å; P761-T765 VanDerWaalsContact O-OG1 3.11Å; F762-T765 PolarHBondContact O-N 3.09Å; T765-L767 VanDerWaalsContact C-N 3.31Å; T765-L767 PolarHBondContact O-N 3.24Å; T765-R768 PolarHBondContact O-N 3.18Å; T765-N769 WeakPolarHBondContact O-CB 3.15Å; T765-N769 PolarHBondContact O-N 3.02Å; T765-N769 PolarHBondContact O-ND2 2.79Å |
| 766 | R | 75.5 | Confident | 78.2 | Confident | 23 Ų | 23 | 22.3 Ų | 22.3 | 9% | 0.087 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 175.2 | -78 | -171.9 | 61.5 | -163 | -2.3 | 113.4 | H710 F762 W764 A770 | H710-R766 PolarHBondContact CE1-O 2.76Å; H710-R766 VanDerWaalsContact CE1-O 3.26Å; F762-R766 HydrophobicContact CD2-CG 3.97Å; F762-R766 HydrophobicContact CE2-CG 3.49Å; F762-R766 VanDerWaalsContact CE2-CG 3.49Å; F762-R766 VanDerWaalsContact CZ-CD 3.43Å; F762-R766 HydrophobicContact CZ-CG 3.99Å; F762-R766 PolarHBondContact O-N 2.82Å; W764-R766 VanDerWaalsContact C-N 3.32Å; W764-R766 PolarHBondContact O-N 3.32Å; R766-A770 WeakPolarHBondContact O-CB 3.3Å; R766-A770 PolarHBondContact O-N 3.1Å |
| 767 | L | 82.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.4 | -38.2 | 178.4 | -177.6 | 61.2 | 0 | 0 | 0 | 111.7 | L706 H710 L714 T715 A718 W764 T765 N769 A770 L771 | L706-L767 HydrophobicContact CB-CD1 4.39Å; L706-L767 HydrophobicContact CD1-CD1 4.22Å; L706-L767 HydrophobicContact CD2-CD1 4.43Å; H710-L767 HydrophobicContact CB-CD1 4.33Å; L714-L767 HydrophobicContact CG-CD2 4.41Å; T715-L767 HydrophobicContact CG2-CD1 4.37Å; A718-L767 HydrophobicContact CB-CD2 3.64Å; W764-L767 HydrophobicContact CE3-CB 4.28Å; W764-L767 HydrophobicContact CE3-CD2 4.26Å; W764-L767 HydrophobicContact CE3-CG 4.46Å; W764-L767 HydrophobicContact CZ3-CB 4.44Å; W764-L767 HydrophobicContact CZ3-CD2 4.14Å; W764-L767 HydrophobicContact CZ3-CG 4.21Å; W764-L767 CarbonylContact O-C 3.55Å; W764-L767 WeakPolarHBondContact O-CA 3.34Å; W764-L767 PolarHBondContact O-N 3.17Å; T765-L767 VanDerWaalsContact C-N 3.31Å; T765-L767 PolarHBondContact O-N 3.24Å; L767-N769 VanDerWaalsContact C-N 3.33Å; L767-N769 PolarHBondContact O-N 3.21Å; L767-A770 PolarHBondContact O-N 3.1Å; L767-L771 HydrophobicContact CG-CD1 4.2Å; L767-L771 WeakPolarHBondContact O-CB 3.46Å; L767-L771 WeakPolarHBondContact O-CG 3.29Å; L767-L771 PolarHBondContact O-N 3.22Å |
| 768 | R | 82.8 | Confident | 77.9 | Confident | 45 Ų | 45 | 24.9 Ų | 24.9 | 17% | 0.17 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | 170 | -173.1 | -146.6 | -177.8 | -158.9 | 9.4 | 110.4 | E731 W764 T765 A770 L771 G772 E777 L786 | E731-R768 WeakPolarHBondContact OE1-CD 3.08Å; E731-R768 IonicContact OE1-CZ 3.44Å; E731-R768 IonicContact OE1-NE 2.93Å; E731-R768 PolarHBondContact OE1-NE 3.19Å; E731-R768 IonicContact OE1-NH1 2.67Å; E731-R768 IonicContact OE1-NH2 2.72Å; W764-R768 HydrophobicContact CH2-CB 4.2Å; W764-R768 HydrophobicContact CZ2-CB 3.81Å; W764-R768 HydrophobicContact CZ2-CG 4.06Å; W764-R768 PolarHBondContact O-N 3.19Å; T765-R768 PolarHBondContact O-N 3.18Å; R768-A770 VanDerWaalsContact C-N 3.33Å; R768-A770 PolarHBondContact O-N 2.88Å; R768-L771 CarbonylContact O-C 3.59Å; R768-L771 WeakPolarHBondContact O-CB 3.21Å; R768-L771 PolarHBondContact O-N 3.28Å; R768-L771 VanDerWaalsContact O-N 3.15Å; R768-G772 PolarHBondContact O-N 3.48Å; R768-E777 IonicContact CZ-OE1 3.62Å; R768-E777 IonicContact NH2-OE1 2.92Å; R768-E777 PolarHBondContact NH2-OE1 2.98Å; R768-L786 HydrophobicContact CG-CD1 4.38Å |
| 769 | N | 72 | Confident | 77.1 | Confident | 53 Ų | 53 | 25.6 Ų | 25.6 | 28% | 0.283 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66 | -36 | 179.7 | -67.1 | -12.4 | 0 | 0 | 0 | 112.2 | H60 T765 L767 G772 | H60-N769 PolarHBondContact CD2-ND2 3.47Å; H60-N769 PolarHBondContact CE1-ND2 2.87Å; H60-N769 VanDerWaalsContact CE1-ND2 3.3Å; H60-N769 PolarHBondContact CE1-OD1 3.35Å; H60-N769 PolarHBondContact NE2-ND2 2.86Å; H60-N769 PolarHBondContact NE2-OD1 3.48Å; T765-N769 WeakPolarHBondContact O-CB 3.15Å; T765-N769 PolarHBondContact O-N 3.02Å; T765-N769 PolarHBondContact O-ND2 2.79Å; L767-N769 VanDerWaalsContact C-N 3.33Å; L767-N769 PolarHBondContact O-N 3.21Å; N769-G772 PolarHBondContact O-N 2.91Å |
| 770 | A | 77.2 | Confident | 76.4 | Confident | 15 Ų | 15 | 25.4 Ų | 25.4 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.4 | -33.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R646 F702 L706 H710 R766 L767 R768 | R646-A770 PolarHBondContact NH1-O 3.38Å; R646-A770 PolarHBondContact NH2-O 2.97Å; F702-A770 WeakPolarHBondContact CZ-O 3.43Å; L706-A770 HydrophobicContact CD2-CB 3.47Å; L706-A770 VanDerWaalsContact CD2-CB 3.47Å; H710-A770 VanDerWaalsContact NE2-CB 3.27Å; H710-A770 WeakPolarHBondContact NE2-CB 3.44Å; R766-A770 WeakPolarHBondContact O-CB 3.3Å; R766-A770 PolarHBondContact O-N 3.1Å; L767-A770 PolarHBondContact O-N 3.1Å; R768-A770 VanDerWaalsContact C-N 3.33Å; R768-A770 PolarHBondContact O-N 2.88Å |
| 771 | L | 84.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 170.7 | -73.3 | 165.7 | 0 | 0 | 0 | 111.8 | F702 L706 W764 L767 R768 N774 L775 W788 | F702-L771 HydrophobicContact CE1-CD2 4.21Å; F702-L771 HydrophobicContact CZ-CD2 4.44Å; L706-L771 HydrophobicContact CD1-CD2 3.5Å; L706-L771 HydrophobicContact CD1-CG 4Å; W764-L771 HydrophobicContact CH2-CD1 4.24Å; W764-L771 HydrophobicContact CZ3-CD1 4.3Å; L767-L771 HydrophobicContact CG-CD1 4.2Å; L767-L771 WeakPolarHBondContact O-CB 3.46Å; L767-L771 WeakPolarHBondContact O-CG 3.29Å; L767-L771 PolarHBondContact O-N 3.22Å; R768-L771 CarbonylContact O-C 3.59Å; R768-L771 WeakPolarHBondContact O-CB 3.21Å; R768-L771 PolarHBondContact O-N 3.28Å; R768-L771 VanDerWaalsContact O-N 3.15Å; L771-N774 WeakPolarHBondContact O-CB 3.43Å; L771-N774 PolarHBondContact O-ND2 3.35Å; L771-L775 HydrophobicContact CB-CD1 4.06Å; L771-L775 HydrophobicContact CB-CG 4.22Å; L771-L775 HydrophobicContact CD1-CD1 3.91Å; L771-W788 HydrophobicContact CD2-CH2 3.64Å; L771-W788 HydrophobicContact CD2-CZ3 3.96Å |
| 772 | G | 76.7 | Confident | 75.9 | Confident | 33 Ų | 33 | 27.5 Ų | 27.5 | 34% | 0.34 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | 61 | -147.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R768 N769 N774 L775 | R768-G772 PolarHBondContact O-N 3.48Å; N769-G772 PolarHBondContact O-N 2.91Å; G772-N774 PolarHBondContact O-N 3.38Å; G772-L775 PolarHBondContact O-N 3.12Å |
| 773 | S | 73.7 | Confident | 75.9 | Confident | 95 Ų | 95 | 30.4 Ų | 30.4 | 66% | 0.664 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -62.7 | 3.3 | 179.9 | 50.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 774 | N | 81.8 | Confident | 75.8 | Confident | 21 Ų | 21 | 33.1 Ų | 33.1 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -74.2 | -19.1 | 167.2 | -58.3 | -68.2 | 0 | 0 | 0 | 112 | L771 G772 W788 Y789 F793 | L771-N774 WeakPolarHBondContact O-CB 3.43Å; L771-N774 PolarHBondContact O-ND2 3.35Å; G772-N774 PolarHBondContact O-N 3.38Å; N774-W788 HydrophobicContact CB-CZ3 4.27Å; N774-Y789 PolarHBondContact O-N 2.95Å; N774-F793 HydrophobicContact CB-CD1 4.3Å; N774-F793 HydrophobicContact CB-CE1 3.91Å; N774-F793 HydrophobicContact CB-CE2 4.34Å; N774-F793 HydrophobicContact CB-CZ 3.93Å; N774-F793 VanDerWaalsContact OD1-CE2 3.28Å; N774-F793 WeakPolarHBondContact OD1-CE2 3.48Å; N774-F793 WeakPolarHBondContact OD1-CZ 3.08Å |
| 775 | L | 84.4 | Confident | 75.8 | Confident | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140.6 | 164.8 | -62.9 | 178.1 | 0 | 0 | 0 | 110 | I722 W764 L771 G772 F787 W788 | I722-L775 HydrophobicContact CD1-CD1 4.37Å; I722-L775 HydrophobicContact CD1-CD2 4.41Å; I722-L775 HydrophobicContact CG2-CD2 4.22Å; W764-L775 HydrophobicContact CH2-CD1 4.08Å; W764-L775 HydrophobicContact CZ2-CD1 4.5Å; L771-L775 HydrophobicContact CB-CD1 4.06Å; L771-L775 HydrophobicContact CB-CG 4.22Å; L771-L775 HydrophobicContact CD1-CD1 3.91Å; G772-L775 PolarHBondContact O-N 3.12Å; L775-F787 CarbonylContact C-O 3.51Å; L775-F787 WeakPolarHBondContact CA-O 3.33Å; L775-W788 HydrophobicContact CD2-CD2 4Å; L775-W788 HydrophobicContact CD2-CE3 3.76Å; L775-W788 HydrophobicContact CD2-CZ3 4.05Å |
| 776 | A | 76.5 | Confident | 76.4 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F787 Y789 | A776-F787 PolarHBondContact N-O 2.95Å; A776-F787 PolarHBondContact O-N 2.99Å; A776-F787 VanDerWaalsContact O-N 3.07Å; A776-Y789 HydrophobicContact CB-CD2 4.14Å; A776-Y789 HydrophobicContact CB-CG 4.38Å |
| 777 | E | 76.8 | Confident | 76.9 | Confident | 69 Ų | 69 | 33.1 Ų | 33.1 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.2 | 173.1 | -73 | 175 | -164.8 | 0 | 0 | 110.3 | T442 S443 R768 V784 V785 L786 | T442-E777 CarbonylContact C-O 3.26Å; S443-E777 PolarHBondContact N-O 3.25Å; R768-E777 IonicContact CZ-OE1 3.62Å; R768-E777 IonicContact NH2-OE1 2.92Å; R768-E777 PolarHBondContact NH2-OE1 2.98Å; E777-V784 HydrophobicContact CB-CG1 3.98Å; E777-V784 HydrophobicContact CG-CG1 4.24Å; E777-V785 WeakPolarHBondContact CA-O 3.39Å; E777-L786 HydrophobicContact CG-CD2 3.49Å; E777-L786 VanDerWaalsContact CG-CD2 3.49Å |
| 778 | R | 73.2 | Confident | 77.1 | Confident | 30 Ų | 30 | 33.1 Ų | 33.1 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155.8 | -177.5 | -63.8 | -177 | 175.8 | -167 | -6.5 | 109.6 | G441 V784 V785 | G441-R778 WeakPolarHBondContact O-CG 3.3Å; G441-R778 PolarHBondContact O-NE 3.01Å; G441-R778 PolarHBondContact O-NH2 3.19Å; G441-R778 VanDerWaalsContact O-NH2 3.12Å; R778-V784 CarbonylContact O-C 3.57Å; R778-V784 WeakPolarHBondContact O-CA 3.3Å; R778-V785 HydrophobicContact CB-CG2 4.3Å; R778-V785 PolarHBondContact N-O 3.26Å; R778-V785 WeakPolarHBondContact O-CG2 3.39Å; R778-V785 PolarHBondContact O-N 3.28Å |
| 779 | E | 68.4 | Low | 76.8 | Confident | 52 Ų | 52 | 32.1 Ų | 32.1 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.5 | 163.4 | -171.8 | -177.6 | 167.7 | 0 | 0 | 109.1 | P444 S447 Q451 I783 | P444-E779 HydrophobicContact CB-CB 3.89Å; S447-E779 WeakPolarHBondContact CB-O 3.29Å; Q451-E779 PolarHBondContact NE2-OE2 3.5Å; E779-I783 WeakPolarHBondContact CA-O 3.24Å |
| 780 | A | 69.2 | Low | 77.1 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | R727 G782 I783 V785 | R727-A780 HydrophobicContact CB-CB 3.67Å; A780-G782 PolarHBondContact O-N 2.75Å; A780-G782 VanDerWaalsContact O-N 3.09Å; A780-I783 PolarHBondContact N-O 3.21Å; A780-I783 WeakPolarHBondContact O-CG1 3.34Å; A780-I783 PolarHBondContact O-N 2.89Å; A780-I783 VanDerWaalsContact O-N 3.09Å; A780-V785 HydrophobicContact CB-CB 4.49Å; A780-V785 HydrophobicContact CB-CG1 4.08Å; A780-V785 HydrophobicContact CB-CG2 3.55Å |
| 781 | D | 72.6 | Confident | 77.2 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 28.5 | 170.6 | -43.7 | -47 | 0 | 0 | 0 | 114.1 | R727 L874 R875 N878 | R727-D781 IonicContact CZ-OD1 3.11Å; R727-D781 IonicContact NH1-OD1 3.26Å; R727-D781 PolarHBondContact NH1-OD1 3.3Å; D781-L874 HydrophobicContact CB-CB 3.72Å; D781-R875 HydrophobicContact CB-CG 4.05Å; D781-R875 WeakPolarHBondContact OD2-CD 3.44Å; D781-R875 IonicContact OD2-CZ 2.88Å; D781-R875 IonicContact OD2-NH1 3.52Å; D781-R875 PolarHBondContact OD2-NH1 3.11Å; D781-N878 PolarHBondContact OD1-ND2 3.26Å |
| 782 | G | 63.6 | Low | 77.1 | Confident | 53 Ų | 53 | 38.4 Ų | 38.4 | 55% | 0.546 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 11.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A780 | A780-G782 PolarHBondContact O-N 2.75Å; A780-G782 VanDerWaalsContact O-N 3.09Å |
| 783 | I | 70 | Confident | 77.7 | Confident | 67 Ų | 67 | 36.9 Ų | 36.9 | 34% | 0.344 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.5 | 171.9 | 62.5 | 164.3 | 0 | 0 | 0 | 112.1 | E779 A780 V785 R875 | E779-I783 WeakPolarHBondContact CA-O 3.24Å; A780-I783 PolarHBondContact N-O 3.21Å; A780-I783 WeakPolarHBondContact O-CG1 3.34Å; A780-I783 PolarHBondContact O-N 2.89Å; A780-I783 VanDerWaalsContact O-N 3.09Å; I783-V785 HydrophobicContact CD1-CG1 4.24Å; I783-V785 HydrophobicContact CG1-CG1 4.12Å; I783-R875 HydrophobicContact CD1-CG 3.72Å; I783-R875 HydrophobicContact CG1-CG 3.96Å |
| 784 | V | 74.2 | Confident | 78.3 | Confident | 72 Ų | 72 | 33.5 Ų | 33.5 | 44% | 0.436 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 131.7 | 172.4 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | P444 S730 E777 R778 | P444-V784 HydrophobicContact CG-CG2 4.03Å; S730-V784 VanDerWaalsContact CB-O 3.25Å; S730-V784 WeakPolarHBondContact CB-O 3.31Å; E777-V784 HydrophobicContact CB-CG1 3.98Å; E777-V784 HydrophobicContact CG-CG1 4.24Å; R778-V784 CarbonylContact O-C 3.57Å; R778-V784 WeakPolarHBondContact O-CA 3.3Å |
| 785 | V | 84 | Confident | 78.5 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152.5 | 179.1 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | R727 E777 R778 A780 I783 | R727-V785 WeakPolarHBondContact O-CG2 3.36Å; E777-V785 WeakPolarHBondContact CA-O 3.39Å; R778-V785 HydrophobicContact CB-CG2 4.3Å; R778-V785 PolarHBondContact N-O 3.26Å; R778-V785 WeakPolarHBondContact O-CG2 3.39Å; R778-V785 PolarHBondContact O-N 3.28Å; A780-V785 HydrophobicContact CB-CB 4.49Å; A780-V785 HydrophobicContact CB-CG1 4.08Å; A780-V785 HydrophobicContact CB-CG2 3.55Å; I783-V785 HydrophobicContact CD1-CG1 4.24Å; I783-V785 HydrophobicContact CG1-CG1 4.12Å |
| 786 | L | 84.3 | Confident | 78.6 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 136.1 | 171.6 | -68.1 | 171.1 | 0 | 0 | 0 | 110.6 | G728 L729 E731 I734 W764 R768 E777 | G728-L786 VanDerWaalsContact CA-O 3.24Å; G728-L786 WeakPolarHBondContact CA-O 3.34Å; L729-L786 PolarHBondContact N-O 2.73Å; L729-L786 PolarHBondContact O-N 2.89Å; E731-L786 HydrophobicContact CG-CD1 3.64Å; I734-L786 HydrophobicContact CD1-CD1 4.41Å; W764-L786 HydrophobicContact CZ2-CD1 3.93Å; R768-L786 HydrophobicContact CG-CD1 4.38Å; E777-L786 HydrophobicContact CG-CD2 3.49Å; E777-L786 VanDerWaalsContact CG-CD2 3.49Å |
| 787 | F | 86.5 | Confident | 79.3 | Confident | 29 Ų | 29 | 34.1 Ų | 34.1 | 13% | 0.127 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 170.6 | 169.3 | -163.6 | -114 | 0 | 0 | 0 | 110.7 | I722 L775 A776 Y789 I794 | I722-F787 HydrophobicContact CG2-CD2 4.37Å; I722-F787 WeakPolarHBondContact O-CE2 3.48Å; L775-F787 CarbonylContact C-O 3.51Å; L775-F787 WeakPolarHBondContact CA-O 3.33Å; A776-F787 PolarHBondContact N-O 2.95Å; A776-F787 PolarHBondContact O-N 2.99Å; A776-F787 VanDerWaalsContact O-N 3.07Å; F787-Y789 PolarHBondContact O-N 3.02Å; F787-I794 HydrophobicContact CE1-CD1 3.63Å; F787-I794 HydrophobicContact CE1-CG1 4.36Å; F787-I794 HydrophobicContact CZ-CD1 4.13Å |
| 788 | W | 86.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 130.7 | 177.1 | -67.3 | 111.5 | 0 | 0 | 0 | 112 | F703 I719 T723 L771 N774 L775 F793 I794 A797 | F703-W788 AromaticContact CE1-CH2 3.71Å; F703-W788 HydrophobicContact CE1-CH2 3.71Å; F703-W788 HydrophobicContact CE1-CZ2 4.36Å; F703-W788 HydrophobicContact CE1-CZ3 4.41Å; F703-W788 AromaticContact CZ-CH2 3.91Å; F703-W788 HydrophobicContact CZ-CH2 3.91Å; F703-W788 HydrophobicContact CZ-CZ2 4.18Å; I719-W788 HydrophobicContact CG1-CH2 4.41Å; I719-W788 HydrophobicContact CG1-CZ2 4.21Å; I719-W788 HydrophobicContact CG2-CZ2 3.95Å; T723-W788 PolarHBondContact OG1-NE1 3.27Å; L771-W788 HydrophobicContact CD2-CH2 3.64Å; L771-W788 HydrophobicContact CD2-CZ3 3.96Å; N774-W788 HydrophobicContact CB-CZ3 4.27Å; L775-W788 HydrophobicContact CD2-CD2 4Å; L775-W788 HydrophobicContact CD2-CE3 3.76Å; L775-W788 HydrophobicContact CD2-CZ3 4.05Å; W788-F793 HydrophobicContact CD2-CB 3.84Å; W788-F793 HydrophobicContact CE3-CB 3.52Å; W788-F793 AromaticContact CE3-CD1 3.94Å; W788-F793 HydrophobicContact CE3-CD1 3.94Å; W788-F793 AromaticContact CE3-CG 3.96Å; W788-F793 HydrophobicContact CE3-CG 3.96Å; W788-F793 HydrophobicContact CG-CB 4.35Å; W788-F793 HydrophobicContact CH2-CD1 4.12Å; W788-F793 HydrophobicContact CZ3-CB 3.93Å; W788-F793 AromaticContact CZ3-CD1 3.49Å; W788-F793 HydrophobicContact CZ3-CD1 3.49Å; W788-F793 VanDerWaalsContact CZ3-CD1 3.49Å; W788-F793 HydrophobicContact CZ3-CE1 4.31Å; W788-F793 HydrophobicContact CZ3-CG 4.01Å; W788-I794 HydrophobicContact CB-CD1 4.12Å; W788-I794 HydrophobicContact CB-CG1 3.47Å; W788-I794 VanDerWaalsContact CB-CG1 3.47Å; W788-I794 HydrophobicContact CG-CG1 3.85Å; W788-A797 HydrophobicContact CZ2-CB 4.31Å |
| 789 | Y | 77.5 | Confident | 80.6 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -74.5 | -39.2 | 174.3 | 179.8 | -127.8 | 0 | 0 | 0 | 112.4 | F329 T366 T442 N774 A776 F787 | F329-Y789 HydrophobicContact CZ-CE1 4.43Å; T366-Y789 WeakPolarHBondContact CG2-OH 3.07Å; T366-Y789 PolarHBondContact OG1-OH 3.45Å; T442-Y789 HydrophobicContact CG2-CD2 4.01Å; T442-Y789 HydrophobicContact CG2-CE2 3.5Å; N774-Y789 PolarHBondContact O-N 2.95Å; A776-Y789 HydrophobicContact CB-CD2 4.14Å; A776-Y789 HydrophobicContact CB-CG 4.38Å; F787-Y789 PolarHBondContact O-N 3.02Å |
| 790 | H | 79.1 | Confident | 81.5 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 21% | 0.208 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -108.4 | 124.7 | -175.3 | -77.3 | -24.4 | 0 | 0 | 0 | 112.4 | L639 Q792 F793 | L639-H790 HydrophobicContact CD2-CB 4.44Å; H790-Q792 PolarHBondContact O-N 3.09Å; H790-Q792 VanDerWaalsContact O-N 3.12Å; H790-F793 HydrophobicContact CB-CD2 3.82Å; H790-F793 HydrophobicContact CB-CE2 4.37Å; H790-F793 WeakPolarHBondContact O-CB 3.08Å; H790-F793 PolarHBondContact O-N 3.09Å |
| 791 | R | 78.5 | Confident | 82.6 | Confident | 108 Ų | 108 | 38.1 Ų | 38.1 | 41% | 0.408 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -52.4 | -35.7 | 178.8 | 178.3 | 173.7 | 167.7 | 157.4 | 0.8 | 113.9 | F793 I794 E795 | R791-F793 PolarHBondContact O-N 3.38Å; R791-I794 WeakPolarHBondContact O-CB 3.4Å; R791-I794 PolarHBondContact O-N 3.3Å; R791-E795 HydrophobicContact CG-CG 4.42Å; R791-E795 IonicContact CZ-OE1 3.77Å; R791-E795 IonicContact NE-OE1 2.86Å; R791-E795 PolarHBondContact NE-OE1 2.65Å; R791-E795 IonicContact NE-OE2 2.69Å; R791-E795 IonicContact NH2-OE1 2.66Å; R791-E795 PolarHBondContact NH2-OE1 3.1Å; R791-E795 PolarHBondContact O-N 3.42Å |
| 792 | Q | 82.7 | Confident | 83.4 | Confident | 47 Ų | 47 | 37.7 Ų | 37.7 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -31.6 | 177 | -70.8 | -74 | -69 | 0 | 0 | 113.2 | L639 V695 I699 H790 E795 A796 | L639-Q792 HydrophobicContact CD2-CB 4.42Å; V695-Q792 HydrophobicContact CG1-CB 4.02Å; V695-Q792 HydrophobicContact CG1-CG 4.03Å; I699-Q792 HydrophobicContact CD1-CB 3.67Å; H790-Q792 PolarHBondContact O-N 3.09Å; H790-Q792 VanDerWaalsContact O-N 3.12Å; Q792-E795 PolarHBondContact NE2-OE2 2.94Å; Q792-A796 WeakPolarHBondContact O-CB 3.47Å; Q792-A796 PolarHBondContact O-N 2.92Å |
| 793 | F | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.5 | -37.5 | 172.7 | -76.2 | -104.7 | 0 | 0 | 0 | 112 | L639 L643 I699 F702 F703 N774 W788 H790 R791 E795 A797 | L639-F793 HydrophobicContact CD1-CE2 4.4Å; L643-F793 HydrophobicContact CD2-CZ 4.05Å; I699-F793 HydrophobicContact CD1-CD2 3.69Å; I699-F793 HydrophobicContact CD1-CE2 3.82Å; I699-F793 HydrophobicContact CD1-CG 4.1Å; I699-F793 HydrophobicContact CD1-CZ 4.32Å; I699-F793 HydrophobicContact CG1-CD2 4.26Å; I699-F793 HydrophobicContact CG1-CE1 4.26Å; I699-F793 HydrophobicContact CG1-CE2 4.01Å; I699-F793 HydrophobicContact CG1-CZ 4.01Å; I699-F793 HydrophobicContact CG2-CD1 3.76Å; I699-F793 HydrophobicContact CG2-CE1 4Å; I699-F793 HydrophobicContact CG2-CG 4.16Å; F702-F793 AromaticContact CD1-CE1 3.83Å; F702-F793 HydrophobicContact CD1-CE1 3.83Å; F702-F793 AromaticContact CE1-CE1 3.89Å; F702-F793 HydrophobicContact CE1-CE1 3.89Å; F703-F793 AromaticContact CE1-CD1 3.85Å; F703-F793 HydrophobicContact CE1-CD1 3.85Å; F703-F793 HydrophobicContact CE1-CE1 4.28Å; F703-F793 AromaticContact CZ-CD1 3.86Å; F703-F793 HydrophobicContact CZ-CD1 3.86Å; N774-F793 HydrophobicContact CB-CD1 4.3Å; N774-F793 HydrophobicContact CB-CE1 3.91Å; N774-F793 HydrophobicContact CB-CE2 4.34Å; N774-F793 HydrophobicContact CB-CZ 3.93Å; N774-F793 VanDerWaalsContact OD1-CE2 3.28Å; N774-F793 WeakPolarHBondContact OD1-CE2 3.48Å; N774-F793 WeakPolarHBondContact OD1-CZ 3.08Å; W788-F793 HydrophobicContact CD2-CB 3.84Å; W788-F793 HydrophobicContact CE3-CB 3.52Å; W788-F793 AromaticContact CE3-CD1 3.94Å; W788-F793 HydrophobicContact CE3-CD1 3.94Å; W788-F793 AromaticContact CE3-CG 3.96Å; W788-F793 HydrophobicContact CE3-CG 3.96Å; W788-F793 HydrophobicContact CG-CB 4.35Å; W788-F793 HydrophobicContact CH2-CD1 4.12Å; W788-F793 HydrophobicContact CZ3-CB 3.93Å; W788-F793 AromaticContact CZ3-CD1 3.49Å; W788-F793 HydrophobicContact CZ3-CD1 3.49Å; W788-F793 VanDerWaalsContact CZ3-CD1 3.49Å; W788-F793 HydrophobicContact CZ3-CE1 4.31Å; W788-F793 HydrophobicContact CZ3-CG 4.01Å; H790-F793 HydrophobicContact CB-CD2 3.82Å; H790-F793 HydrophobicContact CB-CE2 4.37Å; H790-F793 WeakPolarHBondContact O-CB 3.08Å; H790-F793 PolarHBondContact O-N 3.09Å; R791-F793 PolarHBondContact O-N 3.38Å; F793-E795 VanDerWaalsContact C-N 3.32Å; F793-E795 PolarHBondContact O-N 3.06Å; F793-A797 WeakPolarHBondContact O-CB 3.44Å; F793-A797 PolarHBondContact O-N 3.16Å |
| 794 | I | 87 | Confident | 85.4 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.7 | -55.6 | 174.4 | 0 | 0 | 0 | 110.3 | T723 F787 W788 R791 K798 | T723-I794 HydrophobicContact CG2-CG2 4.49Å; F787-I794 HydrophobicContact CE1-CD1 3.63Å; F787-I794 HydrophobicContact CE1-CG1 4.36Å; F787-I794 HydrophobicContact CZ-CD1 4.13Å; W788-I794 HydrophobicContact CB-CD1 4.12Å; W788-I794 HydrophobicContact CB-CG1 3.47Å; W788-I794 VanDerWaalsContact CB-CG1 3.47Å; W788-I794 HydrophobicContact CG-CG1 3.85Å; R791-I794 WeakPolarHBondContact O-CB 3.4Å; R791-I794 PolarHBondContact O-N 3.3Å; I794-K798 HydrophobicContact CG2-CD 4.19Å; I794-K798 VanDerWaalsContact O-CG 3.25Å; I794-K798 WeakPolarHBondContact O-CG 3.2Å; I794-K798 PolarHBondContact O-N 2.81Å; I794-K798 VanDerWaalsContact O-N 3.08Å |
| 795 | E | 85 | Confident | 85.9 | Confident | 58 Ų | 58 | 41 Ų | 41 | 27% | 0.271 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.3 | -55.1 | -179.4 | -70.7 | 169.1 | 159.4 | 0 | 0 | 110.4 | R791 Q792 F793 A797 K798 D799 | R791-E795 HydrophobicContact CG-CG 4.42Å; R791-E795 IonicContact CZ-OE1 3.77Å; R791-E795 IonicContact NE-OE1 2.86Å; R791-E795 PolarHBondContact NE-OE1 2.65Å; R791-E795 IonicContact NE-OE2 2.69Å; R791-E795 IonicContact NH2-OE1 2.66Å; R791-E795 PolarHBondContact NH2-OE1 3.1Å; R791-E795 PolarHBondContact O-N 3.42Å; Q792-E795 PolarHBondContact NE2-OE2 2.94Å; F793-E795 VanDerWaalsContact C-N 3.32Å; F793-E795 PolarHBondContact O-N 3.06Å; E795-A797 VanDerWaalsContact C-N 3.28Å; E795-A797 PolarHBondContact O-N 2.65Å; E795-K798 WeakPolarHBondContact O-CB 3.32Å; E795-K798 PolarHBondContact O-N 2.93Å; E795-D799 VanDerWaalsContact O-CG 3.28Å; E795-D799 PolarHBondContact O-N 3.11Å; E795-D799 VanDerWaalsContact O-OD2 3.05Å |
| 796 | A | 87.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | R696 I699 F703 Q792 D799 C800 | R696-A796 HydrophobicContact CG-CB 4.38Å; I699-A796 HydrophobicContact CB-CB 4.13Å; I699-A796 HydrophobicContact CG2-CB 3.61Å; F703-A796 HydrophobicContact CE2-CB 4.13Å; Q792-A796 WeakPolarHBondContact O-CB 3.47Å; Q792-A796 PolarHBondContact O-N 2.92Å; A796-D799 PolarHBondContact O-N 3.22Å; A796-C800 WeakPolarHBondContact O-CB 3.45Å; A796-C800 PolarHBondContact O-N 2.87Å; A796-C800 PolarHBondContact O-SG 3.02Å |
| 797 | A | 91.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.3 | -33.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F703 I719 T723 W788 F793 E795 Y801 | F703-A797 HydrophobicContact CE2-CB 3.88Å; F703-A797 HydrophobicContact CZ-CB 4Å; I719-A797 HydrophobicContact CG2-CB 3.7Å; T723-A797 HydrophobicContact CG2-CB 3.83Å; T723-A797 WeakPolarHBondContact OG1-CB 3.36Å; W788-A797 HydrophobicContact CZ2-CB 4.31Å; F793-A797 WeakPolarHBondContact O-CB 3.44Å; F793-A797 PolarHBondContact O-N 3.16Å; E795-A797 VanDerWaalsContact C-N 3.28Å; E795-A797 PolarHBondContact O-N 2.65Å; A797-Y801 HydrophobicContact CB-CD2 4.41Å; A797-Y801 WeakPolarHBondContact O-CB 3.12Å; A797-Y801 PolarHBondContact O-N 2.58Å |
| 798 | K | 89.1 | Confident | 86.7 | Confident | 105 Ų | 105 | 49.7 Ų | 49.7 | 46% | 0.457 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 171.7 | -76.9 | 168.6 | -178.5 | 175.1 | 0 | 111 | T723 I794 E795 L802 S803 | T723-K798 HydrophobicContact CG2-CG 3.7Å; I794-K798 HydrophobicContact CG2-CD 4.19Å; I794-K798 VanDerWaalsContact O-CG 3.25Å; I794-K798 WeakPolarHBondContact O-CG 3.2Å; I794-K798 PolarHBondContact O-N 2.81Å; I794-K798 VanDerWaalsContact O-N 3.08Å; E795-K798 WeakPolarHBondContact O-CB 3.32Å; E795-K798 PolarHBondContact O-N 2.93Å; K798-L802 HydrophobicContact CG-CD1 4.29Å; K798-L802 CarbonylContact O-C 3.16Å; K798-L802 WeakPolarHBondContact O-CA 3.47Å; K798-L802 PolarHBondContact O-N 2.95Å; K798-S803 PolarHBondContact O-N 3.05Å |
| 799 | D | 87.3 | Confident | 86.9 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 35% | 0.353 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.4 | -50.1 | 178.9 | -56.5 | -50.1 | 0 | 0 | 0 | 112.2 | R696 E795 A796 S803 | R696-D799 IonicContact CZ-OD2 3.26Å; R696-D799 IonicContact NE-OD2 2.74Å; R696-D799 PolarHBondContact NE-OD2 2.84Å; R696-D799 IonicContact NH2-OD1 2.66Å; R696-D799 PolarHBondContact NH2-OD1 2.8Å; R696-D799 VanDerWaalsContact NH2-OD1 3.11Å; R696-D799 IonicContact NH2-OD2 3.07Å; R696-D799 PolarHBondContact NH2-OD2 2.83Å; E795-D799 VanDerWaalsContact O-CG 3.28Å; E795-D799 PolarHBondContact O-N 3.11Å; E795-D799 VanDerWaalsContact O-OD2 3.05Å; A796-D799 PolarHBondContact O-N 3.22Å; D799-S803 VanDerWaalsContact O-CB 3.24Å; D799-S803 WeakPolarHBondContact O-CB 3.29Å; D799-S803 PolarHBondContact O-OG 2.69Å |
| 800 | C | 88.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 35% | 0.345 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.3 | -37.2 | -176.9 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | A796 | A796-C800 WeakPolarHBondContact O-CB 3.45Å; A796-C800 PolarHBondContact O-N 2.87Å; A796-C800 PolarHBondContact O-SG 3.02Å |
| 801 | Y | 91.2 | Very high | 88.4 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -126.9 | -17.8 | -162.5 | -56.8 | -61.4 | 0 | 0 | 0 | 115.6 | F703 E707 I719 A797 H807 | F703-Y801 HydrophobicContact CB-CE2 4.33Å; F703-Y801 AromaticContact CD2-CE2 3.79Å; F703-Y801 HydrophobicContact CD2-CE2 3.79Å; F703-Y801 HydrophobicContact CE2-CE2 4.26Å; F703-Y801 HydrophobicContact CG-CE2 4.1Å; E707-Y801 WeakPolarHBondContact OE1-CE1 3.28Å; I719-Y801 HydrophobicContact CB-CD2 4.1Å; I719-Y801 HydrophobicContact CB-CE2 4.07Å; I719-Y801 HydrophobicContact CD1-CE2 3.84Å; I719-Y801 HydrophobicContact CG2-CD2 3.33Å; I719-Y801 HydrophobicContact CG2-CE2 3.56Å; I719-Y801 HydrophobicContact CG2-CG 4.28Å; A797-Y801 HydrophobicContact CB-CD2 4.41Å; A797-Y801 WeakPolarHBondContact O-CB 3.12Å; A797-Y801 PolarHBondContact O-N 2.58Å; Y801-H807 PolarHBondContact O-CD2 2.79Å |
| 802 | L | 90.2 | Very high | 89.2 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -118.8 | 13.9 | -179.2 | -59.1 | 175.6 | 0 | 0 | 0 | 113 | T723 A724 K798 K808 | T723-L802 HydrophobicContact CG2-CD1 3.93Å; A724-L802 HydrophobicContact CB-CD1 4.15Å; A724-L802 HydrophobicContact CB-CD2 4.47Å; K798-L802 HydrophobicContact CG-CD1 4.29Å; K798-L802 CarbonylContact O-C 3.16Å; K798-L802 WeakPolarHBondContact O-CA 3.47Å; K798-L802 PolarHBondContact O-N 2.95Å; L802-K808 HydrophobicContact CB-CD 4.5Å; L802-K808 HydrophobicContact CB-CG 4.46Å; L802-K808 HydrophobicContact CD2-CB 4.36Å; L802-K808 HydrophobicContact CD2-CG 4.41Å |
| 803 | S | 86.7 | Confident | 89.8 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | trans | -74.7 | -34 | 174.7 | 46.2 | 0 | 0 | 0 | 0 | 113.2 | K798 D799 I805 | K798-S803 PolarHBondContact O-N 3.05Å; D799-S803 VanDerWaalsContact O-CB 3.24Å; D799-S803 WeakPolarHBondContact O-CB 3.29Å; D799-S803 PolarHBondContact O-OG 2.69Å; S803-I805 PolarHBondContact O-N 2.93Å | ||
| 804 | D | 88.1 | Confident | 90.1 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -72.9 | 114.7 | 164.9 | 172.3 | 35 | 0 | 0 | 0 | 110.4 | N806 H807 K808 | D804-N806 PolarHBondContact O-N 2.82Å; D804-N806 WeakPolarHBondContact OD1-CB 3.15Å; D804-N806 PolarHBondContact OD1-N 2.76Å; D804-N806 PolarHBondContact OD1-ND2 2.94Å; D804-N806 WeakPolarHBondContact OD2-CB 3.44Å; D804-H807 HydrophobicContact CB-CB 4.17Å; D804-H807 PolarHBondContact O-N 3.03Å; D804-H807 VanDerWaalsContact OD2-CB 3.26Å; D804-H807 WeakPolarHBondContact OD2-CB 3.3Å; D804-H807 PolarHBondContact OD2-N 3.12Å; D804-K808 WeakPolarHBondContact O-CB 3.49Å; D804-K808 PolarHBondContact O-N 2.74Å |
| 805 | I | 84.8 | Confident | 90.5 | Very high | 102 Ų | 102 | 46.7 Ų | 46.7 | 52% | 0.523 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -32.6 | 177.6 | -59.1 | 174.9 | 0 | 0 | 0 | 111.3 | S803 R809 | S803-I805 PolarHBondContact O-N 2.93Å; I805-R809 HydrophobicContact CG2-CG 4.42Å; I805-R809 WeakPolarHBondContact O-CB 3.21Å; I805-R809 VanDerWaalsContact O-CG 3.26Å; I805-R809 WeakPolarHBondContact O-CG 3.36Å; I805-R809 PolarHBondContact O-N 2.86Å |
| 806 | N | 88.9 | Confident | 90.9 | Very high | 114 Ų | 114 | 43.9 Ų | 43.9 | 61% | 0.61 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -71.6 | -49.6 | -178.2 | -54.9 | -77.6 | 0 | 0 | 0 | 111 | D804 R809 K810 | D804-N806 PolarHBondContact O-N 2.82Å; D804-N806 WeakPolarHBondContact OD1-CB 3.15Å; D804-N806 PolarHBondContact OD1-N 2.76Å; D804-N806 PolarHBondContact OD1-ND2 2.94Å; D804-N806 WeakPolarHBondContact OD2-CB 3.44Å; N806-R809 PolarHBondContact O-N 3.31Å; N806-K810 WeakPolarHBondContact O-CB 3.38Å; N806-K810 PolarHBondContact O-N 2.85Å |
| 807 | H | 91.3 | Very high | 91.3 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 172.3 | -178.1 | 74.7 | 0 | 0 | 0 | 112.1 | H717 S720 Y801 D804 R809 K810 I811 | H717-H807 AromaticContact CD2-CE1 3.65Å; H717-H807 AromaticContact CE1-CE1 3.89Å; H717-H807 AromaticContact NE2-CE1 3.5Å; S720-H807 PolarHBondContact OG-NE2 2.81Å; Y801-H807 PolarHBondContact O-CD2 2.79Å; D804-H807 HydrophobicContact CB-CB 4.17Å; D804-H807 PolarHBondContact O-N 3.03Å; D804-H807 VanDerWaalsContact OD2-CB 3.26Å; D804-H807 WeakPolarHBondContact OD2-CB 3.3Å; D804-H807 PolarHBondContact OD2-N 3.12Å; H807-R809 PolarHBondContact O-N 3.16Å; H807-K810 WeakPolarHBondContact O-CB 3.45Å; H807-K810 PolarHBondContact O-N 3.03Å; H807-K810 VanDerWaalsContact O-N 3.16Å; H807-I811 WeakPolarHBondContact O-CG1 3.32Å; H807-I811 PolarHBondContact O-N 3.12Å |
| 808 | K | 91.4 | Very high | 91.4 | Very high | 80 Ų | 80 | 45 Ų | 45 | 35% | 0.348 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.4 | -48.5 | 174 | -178.4 | -179.8 | 177.8 | -177.1 | 0 | 112 | L802 D804 K810 I811 H812 | L802-K808 HydrophobicContact CB-CD 4.5Å; L802-K808 HydrophobicContact CB-CG 4.46Å; L802-K808 HydrophobicContact CD2-CB 4.36Å; L802-K808 HydrophobicContact CD2-CG 4.41Å; D804-K808 WeakPolarHBondContact O-CB 3.49Å; D804-K808 PolarHBondContact O-N 2.74Å; K808-K810 PolarHBondContact O-N 3.42Å; K808-I811 PolarHBondContact O-N 3.22Å; K808-H812 PolarHBondContact O-CD2 3.25Å; K808-H812 PolarHBondContact O-N 3.25Å; K808-H812 VanDerWaalsContact O-N 3.08Å |
| 809 | R | 90.5 | Very high | 91.6 | Very high | 57 Ų | 57 | 40 Ų | 40 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.2 | -74.9 | 176 | -172.6 | 177.7 | 3.1 | 112.3 | I805 N806 H807 S813 S887 | I805-R809 HydrophobicContact CG2-CG 4.42Å; I805-R809 WeakPolarHBondContact O-CB 3.21Å; I805-R809 VanDerWaalsContact O-CG 3.26Å; I805-R809 WeakPolarHBondContact O-CG 3.36Å; I805-R809 PolarHBondContact O-N 2.86Å; N806-R809 PolarHBondContact O-N 3.31Å; H807-R809 PolarHBondContact O-N 3.16Å; R809-S813 VanDerWaalsContact O-CB 3.23Å; R809-S813 WeakPolarHBondContact O-CB 3.39Å; R809-S813 PolarHBondContact O-N 2.91Å; R809-S887 WeakPolarHBondContact O-CB 3.48Å |
| 810 | K | 92.7 | Very high | 91.9 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.5 | 173.1 | -166.9 | 179.1 | -173.2 | 0 | 112 | E743 N806 H807 K808 S813 N814 | E743-K810 IonicContact OE1-NZ 2.72Å; E743-K810 PolarHBondContact OE1-NZ 3.4Å; E743-K810 IonicContact OE2-NZ 2.88Å; E743-K810 PolarHBondContact OE2-NZ 3.36Å; N806-K810 WeakPolarHBondContact O-CB 3.38Å; N806-K810 PolarHBondContact O-N 2.85Å; H807-K810 WeakPolarHBondContact O-CB 3.45Å; H807-K810 PolarHBondContact O-N 3.03Å; H807-K810 VanDerWaalsContact O-N 3.16Å; K808-K810 PolarHBondContact O-N 3.42Å; K810-S813 WeakPolarHBondContact O-CB 3.39Å; K810-S813 PolarHBondContact O-N 2.83Å; K810-N814 PolarHBondContact O-N 3.06Å |
| 811 | I | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -53.4 | 176 | -69.2 | -69.5 | 0 | 0 | 0 | 110.1 | Y721 A724 H807 K808 S813 N814 I815 | Y721-I811 HydrophobicContact CD1-CD1 4.16Å; Y721-I811 HydrophobicContact CD1-CG2 3.83Å; Y721-I811 HydrophobicContact CD2-CD1 4.43Å; Y721-I811 HydrophobicContact CE1-CB 4.49Å; Y721-I811 HydrophobicContact CE1-CD1 3.69Å; Y721-I811 HydrophobicContact CE1-CG2 4.03Å; Y721-I811 HydrophobicContact CE2-CD1 3.98Å; Y721-I811 HydrophobicContact CG-CD1 4.48Å; A724-I811 HydrophobicContact CB-CG2 3.65Å; H807-I811 WeakPolarHBondContact O-CG1 3.32Å; H807-I811 PolarHBondContact O-N 3.12Å; K808-I811 PolarHBondContact O-N 3.22Å; I811-S813 VanDerWaalsContact C-N 3.27Å; I811-S813 PolarHBondContact O-N 3.21Å; I811-N814 PolarHBondContact O-N 3.29Å; I811-N814 VanDerWaalsContact O-N 3.11Å; I811-I815 HydrophobicContact CG2-CD1 4.29Å; I811-I815 WeakPolarHBondContact O-CG1 3.41Å; I811-I815 PolarHBondContact O-N 2.83Å; I811-I815 VanDerWaalsContact O-N 3.11Å |
| 812 | H | 95.7 | Very high | 91.8 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -36.4 | 175.5 | -68.5 | -60.8 | 0 | 0 | 0 | 112.6 | A724 K808 N814 I815 A816 H883 H886 | A724-H812 PolarHBondContact O-CE1 2.96Å; A724-H812 VanDerWaalsContact O-CE1 3.24Å; K808-H812 PolarHBondContact O-CD2 3.25Å; K808-H812 PolarHBondContact O-N 3.25Å; K808-H812 VanDerWaalsContact O-N 3.08Å; H812-N814 PolarHBondContact O-N 3.28Å; H812-I815 PolarHBondContact O-N 3.37Å; H812-A816 WeakPolarHBondContact O-CB 3.31Å; H812-A816 PolarHBondContact O-N 2.78Å; H812-H883 AromaticContact ND1-CE1 3.88Å; H812-H883 AromaticContact ND1-ND1 3.27Å; H812-H883 PolarHBondContact ND1-ND1 3.25Å; H812-H886 HydrophobicContact CB-CB 4.29Å; H812-H886 VanDerWaalsContact CD2-CB 3.44Å; H812-H886 WeakPolarHBondContact CD2-CB 3.49Å |
| 813 | S | 94.9 | Very high | 91.7 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 22% | 0.217 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.6 | -34.7 | 177 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | R809 K810 I811 D817 R889 | R809-S813 VanDerWaalsContact O-CB 3.23Å; R809-S813 WeakPolarHBondContact O-CB 3.39Å; R809-S813 PolarHBondContact O-N 2.91Å; K810-S813 WeakPolarHBondContact O-CB 3.39Å; K810-S813 PolarHBondContact O-N 2.83Å; I811-S813 VanDerWaalsContact C-N 3.27Å; I811-S813 PolarHBondContact O-N 3.21Å; S813-D817 WeakPolarHBondContact O-CB 3.42Å; S813-D817 PolarHBondContact O-N 2.72Å; S813-R889 PolarHBondContact O-NH1 3.33Å; S813-R889 PolarHBondContact OG-NH1 2.75Å |
| 814 | N | 94.1 | Very high | 91.5 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69 | -39.3 | 174.2 | -74.8 | -10.8 | 0 | 0 | 0 | 111.3 | Y721 K810 I811 H812 D817 Y818 | Y721-N814 HydrophobicContact CE1-CB 3.95Å; Y721-N814 PolarHBondContact OH-ND2 2.74Å; K810-N814 PolarHBondContact O-N 3.06Å; I811-N814 PolarHBondContact O-N 3.29Å; I811-N814 VanDerWaalsContact O-N 3.11Å; H812-N814 PolarHBondContact O-N 3.28Å; N814-D817 PolarHBondContact O-N 2.87Å; N814-Y818 PolarHBondContact O-N 2.99Å |
| 815 | I | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -37.3 | 175.6 | -45.9 | 164.6 | 0 | 0 | 0 | 111.4 | Y721 A724 L737 I811 H812 Y818 F819 H883 | Y721-I815 HydrophobicContact CD1-CD1 4.11Å; Y721-I815 HydrophobicContact CD1-CG1 3.79Å; Y721-I815 HydrophobicContact CE1-CG1 4.21Å; A724-I815 HydrophobicContact CB-CD1 4.36Å; L737-I815 HydrophobicContact CD1-CG1 4.08Å; L737-I815 HydrophobicContact CD1-CG2 4.39Å; L737-I815 HydrophobicContact CD2-CB 4.19Å; L737-I815 HydrophobicContact CD2-CG1 3.96Å; L737-I815 HydrophobicContact CD2-CG2 4.31Å; I811-I815 HydrophobicContact CG2-CD1 4.29Å; I811-I815 WeakPolarHBondContact O-CG1 3.41Å; I811-I815 PolarHBondContact O-N 2.83Å; I811-I815 VanDerWaalsContact O-N 3.11Å; H812-I815 PolarHBondContact O-N 3.37Å; I815-Y818 WeakPolarHBondContact O-CB 3.48Å; I815-Y818 PolarHBondContact O-N 3.41Å; I815-F819 HydrophobicContact CG2-CD2 3.76Å; I815-F819 HydrophobicContact CG2-CE2 3.57Å; I815-F819 WeakPolarHBondContact O-CD2 3.04Å; I815-F819 PolarHBondContact O-N 2.65Å; I815-H883 WeakPolarHBondContact CG2-CD2 3.41Å; I815-H883 WeakPolarHBondContact CG2-NE2 3.3Å |
| 816 | A | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | H812 Y818 F819 L820 L880 H883 L884 | H812-A816 WeakPolarHBondContact O-CB 3.31Å; H812-A816 PolarHBondContact O-N 2.78Å; A816-Y818 PolarHBondContact O-N 3.46Å; A816-F819 PolarHBondContact O-N 3.37Å; A816-L820 WeakPolarHBondContact O-CB 3.33Å; A816-L820 VanDerWaalsContact O-CG 3.22Å; A816-L820 WeakPolarHBondContact O-CG 3.3Å; A816-L820 PolarHBondContact O-N 2.77Å; A816-L880 HydrophobicContact CB-CD1 4.33Å; A816-H883 HydrophobicContact CB-CB 4.07Å; A816-L884 HydrophobicContact CB-CD2 3.91Å; A816-L884 HydrophobicContact CB-CG 4.19Å |
| 817 | D | 94.3 | Very high | 90.9 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -33.3 | 175 | -92.8 | 18.1 | 0 | 0 | 0 | 112.9 | S813 N814 K822 W823 R889 | S813-D817 WeakPolarHBondContact O-CB 3.42Å; S813-D817 PolarHBondContact O-N 2.72Å; N814-D817 PolarHBondContact O-N 2.87Å; D817-K822 HydrophobicContact CB-CD 4.12Å; D817-K822 WeakPolarHBondContact O-CB 3.43Å; D817-K822 PolarHBondContact O-N 2.68Å; D817-K822 VanDerWaalsContact OD1-CD 3.23Å; D817-K822 WeakPolarHBondContact OD1-CD 3.43Å; D817-K822 IonicContact OD1-NZ 2.71Å; D817-K822 PolarHBondContact OD1-NZ 3.13Å; D817-K822 WeakPolarHBondContact OD2-CD 3.47Å; D817-K822 WeakPolarHBondContact OD2-CE 3.26Å; D817-K822 IonicContact OD2-NZ 2.78Å; D817-K822 PolarHBondContact OD2-NZ 3Å; D817-W823 PolarHBondContact OD2-NE1 3.1Å; D817-R889 IonicContact OD1-CZ 2.83Å; D817-R889 VanDerWaalsContact OD1-CZ 3.28Å; D817-R889 IonicContact OD1-NH1 3.2Å; D817-R889 PolarHBondContact OD1-NH1 3.19Å; D817-R889 IonicContact OD1-NH2 2.77Å; D817-R889 PolarHBondContact OD1-NH2 2.75Å |
| 818 | Y | 94.2 | Very high | 90.9 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -57.9 | 172.1 | 176.3 | -102.7 | 0 | 0 | 0 | 111.6 | E733 D736 L737 L740 N814 I815 A816 L820 G821 P853 Q855 | E733-Y818 HydrophobicContact CB-CE1 4.41Å; E733-Y818 HydrophobicContact CG-CE1 3.87Å; D736-Y818 HydrophobicContact CB-CD2 4.02Å; D736-Y818 HydrophobicContact CB-CE2 3.45Å; D736-Y818 VanDerWaalsContact CB-CE2 3.45Å; D736-Y818 WeakPolarHBondContact OD2-CE2 3.26Å; D736-Y818 PolarHBondContact OD2-OH 3.22Å; L737-Y818 HydrophobicContact CD2-CG 4.17Å; L740-Y818 HydrophobicContact CD1-CD2 4.25Å; N814-Y818 PolarHBondContact O-N 2.99Å; I815-Y818 WeakPolarHBondContact O-CB 3.48Å; I815-Y818 PolarHBondContact O-N 3.41Å; A816-Y818 PolarHBondContact O-N 3.46Å; Y818-L820 VanDerWaalsContact C-N 3.29Å; Y818-L820 PolarHBondContact O-N 2.73Å; Y818-G821 WeakPolarHBondContact O-CA 3.34Å; Y818-G821 PolarHBondContact O-N 3.26Å; Y818-P853 HydrophobicContact CE2-CG 4.43Å; Y818-Q855 WeakPolarHBondContact O-CG 3.25Å; Y818-Q855 PolarHBondContact OH-NE2 2.96Å |
| 819 | F | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.2 | -21.1 | -177.5 | -73.3 | -60 | 0 | 0 | 0 | 114.4 | I815 A816 G821 Q855 R875 K876 E879 L880 | I815-F819 HydrophobicContact CG2-CD2 3.76Å; I815-F819 HydrophobicContact CG2-CE2 3.57Å; I815-F819 WeakPolarHBondContact O-CD2 3.04Å; I815-F819 PolarHBondContact O-N 2.65Å; A816-F819 PolarHBondContact O-N 3.37Å; F819-G821 PolarHBondContact O-N 2.74Å; F819-Q855 WeakPolarHBondContact O-CB 3.34Å; F819-R875 HydrophobicContact CE1-CB 3.9Å; F819-R875 HydrophobicContact CZ-CB 4.48Å; F819-K876 HydrophobicContact CD1-CB 4.47Å; F819-K876 VanDerWaalsContact O-CD 3.3Å; F819-K876 WeakPolarHBondContact O-CD 3.39Å; F819-K876 WeakPolarHBondContact O-CE 3.26Å; F819-K876 WeakPolarHBondContact O-CG 3.49Å; F819-E879 HydrophobicContact CD2-CB 3.75Å; F819-E879 HydrophobicContact CE2-CB 3.44Å; F819-E879 VanDerWaalsContact CE2-CB 3.44Å; F819-E879 HydrophobicContact CE2-CG 3.84Å; F819-E879 HydrophobicContact CZ-CB 4.03Å; F819-E879 HydrophobicContact CZ-CG 4.03Å; F819-L880 HydrophobicContact CB-CB 4.33Å; F819-L880 HydrophobicContact CB-CD1 4.28Å |
| 820 | L | 91.9 | Very high | 90.7 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 20% | 0.199 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.9 | 166 | -73.8 | 169.1 | 0 | 0 | 0 | 112.8 | A816 Y818 K822 L880 E896 | A816-L820 WeakPolarHBondContact O-CB 3.33Å; A816-L820 VanDerWaalsContact O-CG 3.22Å; A816-L820 WeakPolarHBondContact O-CG 3.3Å; A816-L820 PolarHBondContact O-N 2.77Å; Y818-L820 VanDerWaalsContact C-N 3.29Å; Y818-L820 PolarHBondContact O-N 2.73Å; L820-K822 VanDerWaalsContact C-N 3.26Å; L820-K822 HydrophobicContact CB-CB 4.4Å; L820-L880 HydrophobicContact CD2-CD1 4.06Å; L820-L880 HydrophobicContact CD2-CD2 3.95Å; L820-L880 HydrophobicContact CG-CD1 3.85Å; L820-E896 HydrophobicContact CD2-CG 4.15Å |
| 821 | G | 88.2 | Confident | 90.5 | Very high | 16 Ų | 16 | 38 Ų | 38 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 15 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y818 F819 W823 A824 | Y818-G821 WeakPolarHBondContact O-CA 3.34Å; Y818-G821 PolarHBondContact O-N 3.26Å; F819-G821 PolarHBondContact O-N 2.74Å; G821-W823 PolarHBondContact O-N 2.9Å; G821-W823 VanDerWaalsContact O-N 3.08Å; G821-A824 VanDerWaalsContact O-CB 3.29Å; G821-A824 WeakPolarHBondContact O-CB 3.48Å; G821-A824 PolarHBondContact O-N 3.04Å |
| 822 | K | 89.4 | Confident | 89.9 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 42% | 0.422 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -27.9 | -167.7 | -170.5 | -172.7 | -173.8 | 179.6 | 0 | 114.6 | D817 L820 | D817-K822 HydrophobicContact CB-CD 4.12Å; D817-K822 WeakPolarHBondContact O-CB 3.43Å; D817-K822 PolarHBondContact O-N 2.68Å; D817-K822 VanDerWaalsContact OD1-CD 3.23Å; D817-K822 WeakPolarHBondContact OD1-CD 3.43Å; D817-K822 IonicContact OD1-NZ 2.71Å; D817-K822 PolarHBondContact OD1-NZ 3.13Å; D817-K822 WeakPolarHBondContact OD2-CD 3.47Å; D817-K822 WeakPolarHBondContact OD2-CE 3.26Å; D817-K822 IonicContact OD2-NZ 2.78Å; D817-K822 PolarHBondContact OD2-NZ 3Å; L820-K822 VanDerWaalsContact C-N 3.26Å; L820-K822 HydrophobicContact CB-CB 4.4Å |
| 823 | W | 89.2 | Confident | 89.3 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 20% | 0.197 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 5.4 | -178.3 | -60.9 | 109.5 | 0 | 0 | 0 | 113.6 | L740 D817 G821 G825 V826 K828 V852 | L740-W823 HydrophobicContact CD2-CB 3.67Å; L740-W823 HydrophobicContact CD2-CG 3.81Å; D817-W823 PolarHBondContact OD2-NE1 3.1Å; G821-W823 PolarHBondContact O-N 2.9Å; G821-W823 VanDerWaalsContact O-N 3.08Å; W823-G825 PolarHBondContact O-N 3.02Å; W823-V826 HydrophobicContact CE3-CG1 4.14Å; W823-V826 HydrophobicContact CZ3-CG1 4.27Å; W823-V826 PolarHBondContact O-N 3.32Å; W823-K828 HydrophobicContact CD2-CB 4.16Å; W823-K828 HydrophobicContact CD2-CD 4.25Å; W823-K828 HydrophobicContact CD2-CG 4.16Å; W823-K828 HydrophobicContact CE3-CB 3.6Å; W823-K828 HydrophobicContact CE3-CD 4.47Å; W823-K828 HydrophobicContact CE3-CG 3.89Å; W823-K828 HydrophobicContact CH2-CB 4.33Å; W823-K828 HydrophobicContact CH2-CG 3.81Å; W823-K828 HydrophobicContact CZ2-CD 4.3Å; W823-K828 HydrophobicContact CZ2-CG 4.07Å; W823-K828 HydrophobicContact CZ3-CB 3.71Å; W823-K828 HydrophobicContact CZ3-CG 3.72Å; W823-V852 HydrophobicContact CB-CG2 3.99Å; W823-V852 WeakPolarHBondContact O-CG2 3.37Å |
| 824 | A | 81.8 | Confident | 88.6 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 110.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G821 V826 P854 | G821-A824 VanDerWaalsContact O-CB 3.29Å; G821-A824 WeakPolarHBondContact O-CB 3.48Å; G821-A824 PolarHBondContact O-N 3.04Å; A824-V826 PolarHBondContact O-N 2.87Å; A824-P854 HydrophobicContact CB-CB 4.13Å |
| 825 | G | 78.8 | Confident | 87.8 | Confident | 60 Ų | 60 | 52 Ų | 52 | 62% | 0.619 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 9.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W823 | W823-G825 PolarHBondContact O-N 3.02Š|
| 826 | V | 84.2 | Confident | 86.9 | Confident | 72 Ų | 72 | 52 Ų | 52 | 44% | 0.436 | 26% | 0.26 | S | S | . | . | trans | -109.5 | 120 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | W823 A824 K828 | W823-V826 HydrophobicContact CE3-CG1 4.14Å; W823-V826 HydrophobicContact CZ3-CG1 4.27Å; W823-V826 PolarHBondContact O-N 3.32Å; A824-V826 PolarHBondContact O-N 2.87Å; V826-K828 PolarHBondContact O-N 2.9Å | ||
| 827 | K | 87 | Confident | 86.2 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 117.9 | -175.2 | -59.4 | -165.8 | 177.7 | -169.7 | 0 | 111.8 | N847 E848 D849 | K827-N847 HydrophobicContact CB-CB 4.08Å; K827-E848 CarbonylContact C-O 3.49Å; K827-E848 VanDerWaalsContact CA-O 3.3Å; K827-E848 WeakPolarHBondContact CA-O 3.45Å; K827-D849 HydrophobicContact CG-CB 4.13Å |
| 828 | K | 90.2 | Very high | 85.5 | Confident | 31 Ų | 31 | 56 Ų | 56 | 14% | 0.135 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.4 | 177.1 | -167.7 | -174.9 | -163.2 | -150.9 | 0 | 110.5 | L740 D742 W823 V826 F830 E848 R850 | L740-K828 PolarHBondContact O-NZ 3.38Å; D742-K828 VanDerWaalsContact OD2-CE 3.3Å; D742-K828 WeakPolarHBondContact OD2-CE 3.42Å; D742-K828 IonicContact OD2-NZ 3.85Å; D742-K828 PolarHBondContact OD2-NZ 2.66Å; W823-K828 HydrophobicContact CD2-CB 4.16Å; W823-K828 HydrophobicContact CD2-CD 4.25Å; W823-K828 HydrophobicContact CD2-CG 4.16Å; W823-K828 HydrophobicContact CE3-CB 3.6Å; W823-K828 HydrophobicContact CE3-CD 4.47Å; W823-K828 HydrophobicContact CE3-CG 3.89Å; W823-K828 HydrophobicContact CH2-CB 4.33Å; W823-K828 HydrophobicContact CH2-CG 3.81Å; W823-K828 HydrophobicContact CZ2-CD 4.3Å; W823-K828 HydrophobicContact CZ2-CG 4.07Å; W823-K828 HydrophobicContact CZ3-CB 3.71Å; W823-K828 HydrophobicContact CZ3-CG 3.72Å; V826-K828 PolarHBondContact O-N 2.9Å; K828-F830 PolarHBondContact O-N 2.83Å; K828-E848 PolarHBondContact N-O 2.8Å; K828-E848 PolarHBondContact O-N 3.4Å; K828-R850 HydrophobicContact CB-CG 4.18Å; K828-R850 PolarHBondContact O-NH2 3.48Å; K828-R850 VanDerWaalsContact O-NH2 3.16Å |
| 829 | T | 89.6 | Confident | 84.6 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 127.9 | 174.9 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | Y831 S846 N847 R850 | T829-Y831 HydrophobicContact CG2-CE2 4.06Å; T829-S846 CarbonylContact C-O 3.54Å; T829-S846 VanDerWaalsContact CA-O 3.23Å; T829-S846 WeakPolarHBondContact CA-O 3.37Å; T829-N847 WeakPolarHBondContact CA-OD1 3.3Å; T829-N847 WeakPolarHBondContact CB-OD1 3.47Å; T829-N847 PolarHBondContact OG1-OD1 2.98Å; T829-R850 PolarHBondContact O-NH2 3.39Å |
| 830 | F | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.3 | 172.1 | -174.3 | -122 | 0 | 0 | 0 | 110 | D742 L745 R746 F749 L753 V757 K828 Y832 S845 S846 E848 | D742-F830 HydrophobicContact CB-CD2 4.4Å; D742-F830 WeakPolarHBondContact OD1-CD2 3.39Å; L745-F830 HydrophobicContact CB-CE2 3.78Å; L745-F830 HydrophobicContact CB-CZ 4.23Å; R746-F830 HydrophobicContact CG-CE2 3.96Å; R746-F830 HydrophobicContact CG-CZ 4Å; F749-F830 HydrophobicContact CD2-CE1 4.43Å; F749-F830 HydrophobicContact CD2-CZ 4.08Å; L753-F830 HydrophobicContact CD1-CE1 4.13Å; V757-F830 HydrophobicContact CG1-CB 4.29Å; V757-F830 HydrophobicContact CG1-CD1 3.61Å; V757-F830 HydrophobicContact CG1-CD2 3.94Å; V757-F830 HydrophobicContact CG1-CE1 3.78Å; V757-F830 HydrophobicContact CG1-CE2 4.13Å; V757-F830 HydrophobicContact CG1-CG 3.69Å; V757-F830 HydrophobicContact CG1-CZ 4.04Å; V757-F830 HydrophobicContact CG2-CD1 4.3Å; K828-F830 PolarHBondContact O-N 2.83Å; F830-Y832 AromaticContact CD1-CD1 3.53Å; F830-Y832 HydrophobicContact CD1-CD1 3.53Å; F830-Y832 AromaticContact CD1-CE1 3.78Å; F830-Y832 HydrophobicContact CD1-CE1 3.78Å; F830-Y832 HydrophobicContact CD1-CG 4.35Å; F830-Y832 AromaticContact CE1-CD1 3.65Å; F830-Y832 HydrophobicContact CE1-CD1 3.65Å; F830-Y832 HydrophobicContact CE1-CE1 4.23Å; F830-S845 CarbonylContact O-C 3.55Å; F830-S845 WeakPolarHBondContact O-CA 3.07Å; F830-S845 WeakPolarHBondContact O-CB 3.21Å; F830-S846 PolarHBondContact N-O 3.22Å; F830-S846 PolarHBondContact O-N 2.87Å; F830-E848 HydrophobicContact CB-CG 4.06Å |
| 831 | Y | 87.3 | Confident | 83.3 | Confident | 137 Ų | 137 | 72.2 Ų | 72.2 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 115 | 172.2 | -71 | -89.8 | 0 | 0 | 0 | 108.8 | R746 T829 | R746-Y831 VanDerWaalsContact CD-O 3.29Å; R746-Y831 WeakPolarHBondContact CD-O 3.38Å; R746-Y831 WeakPolarHBondContact CG-O 3.13Å; T829-Y831 HydrophobicContact CG2-CE2 4.06Å |
| 832 | Y | 84.2 | Confident | 83 | Confident | 26 Ų | 26 | 74 Ų | 74 | 10% | 0.102 | 37% | 0.373 | C | S | . | . | trans | -69.4 | 145.7 | -176.9 | -59.2 | -66 | 0 | 0 | 0 | 111.2 | L753 F830 K834 L842 P843 P844 S846 E848 | L753-Y832 HydrophobicContact CD1-CD1 3.66Å; L753-Y832 HydrophobicContact CD1-CE1 3.73Å; L753-Y832 HydrophobicContact CD2-CD1 3.86Å; L753-Y832 HydrophobicContact CD2-CE1 3.44Å; L753-Y832 VanDerWaalsContact CD2-CE1 3.44Å; L753-Y832 HydrophobicContact CG-CD1 4.44Å; L753-Y832 HydrophobicContact CG-CE1 4.24Å; F830-Y832 AromaticContact CD1-CD1 3.53Å; F830-Y832 HydrophobicContact CD1-CD1 3.53Å; F830-Y832 AromaticContact CD1-CE1 3.78Å; F830-Y832 HydrophobicContact CD1-CE1 3.78Å; F830-Y832 HydrophobicContact CD1-CG 4.35Å; F830-Y832 AromaticContact CE1-CD1 3.65Å; F830-Y832 HydrophobicContact CE1-CD1 3.65Å; F830-Y832 HydrophobicContact CE1-CE1 4.23Å; Y832-K834 PolarHBondContact O-N 2.95Å; Y832-L842 HydrophobicContact CD1-CD1 4.32Å; Y832-L842 HydrophobicContact CD2-CB 4Å; Y832-L842 HydrophobicContact CD2-CD1 4.19Å; Y832-L842 HydrophobicContact CE1-CD1 4.42Å; Y832-L842 HydrophobicContact CE2-CB 4.05Å; Y832-L842 HydrophobicContact CE2-CD1 4.23Å; Y832-L842 HydrophobicContact CG-CD1 4.2Å; Y832-P843 VanDerWaalsContact CD2-O 3.28Å; Y832-P843 WeakPolarHBondContact CD2-O 3.35Å; Y832-P843 HydrophobicContact CE2-CG 4.29Å; Y832-P844 PolarHBondContact N-O 3.34Å; Y832-S846 VanDerWaalsContact CZ-OG 3.23Å; Y832-S846 VanDerWaalsContact OH-CB 3.26Å; Y832-S846 WeakPolarHBondContact OH-CB 3.45Å; Y832-S846 PolarHBondContact OH-OG 3.5Å; Y832-E848 PolarHBondContact OH-OE1 2.98Å | ||
| 833 | P | 82.8 | Confident | 82.8 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | trans | -52.7 | 133.7 | 171.1 | -27.7 | 36 | 0 | 0 | 0 | 111.6 | R746 Y835 L836 A837 | R746-P833 HydrophobicContact CB-CG 4.38Å; R746-P833 HydrophobicContact CG-CG 4.39Å; P833-Y835 PolarHBondContact O-N 3.29Å; P833-Y835 VanDerWaalsContact O-N 3.1Å; P833-L836 WeakPolarHBondContact O-CA 3.46Å; P833-L836 PolarHBondContact O-N 2.82Å; P833-A837 PolarHBondContact O-N 3.42Å | ||
| 834 | K | 80.3 | Confident | 82.5 | Confident | 194 Ų | 194 | 75 Ų | 75 | 84% | 0.843 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -52.5 | -39.4 | -173 | -66.5 | 178 | -178.8 | 173.1 | 0 | 112.9 | Y832 A837 A838 | Y832-K834 PolarHBondContact O-N 2.95Å; K834-A837 PolarHBondContact O-N 3.08Å; K834-A838 PolarHBondContact O-N 3.17Å; K834-A838 VanDerWaalsContact O-N 3.15Å |
| 835 | Y | 76.3 | Confident | 82.8 | Confident | 120 Ų | 120 | 75.7 Ų | 75.7 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 174.8 | 170.4 | -107.7 | 0 | 0 | 0 | 112.3 | E750 H751 P833 K839 | E750-Y835 WeakPolarHBondContact O-CD1 3.36Å; H751-Y835 AromaticContact ND1-CE1 3.99Å; P833-Y835 PolarHBondContact O-N 3.29Å; P833-Y835 VanDerWaalsContact O-N 3.1Å; Y835-K839 HydrophobicContact CD1-CD 4.32Å; Y835-K839 HydrophobicContact CE1-CD 3.62Å; Y835-K839 HydrophobicContact CE2-CD 4.28Å; Y835-K839 WeakPolarHBondContact O-CB 3.18Å; Y835-K839 PolarHBondContact O-N 3.1Å; Y835-K839 WeakPolarHBondContact OH-CE 3.35Å; Y835-K839 PolarHBondContact OH-NZ 3.11Å |
| 836 | L | 76.9 | Confident | 83.1 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.8 | -40 | 177.4 | -72 | -168.5 | 0 | 0 | 0 | 113 | F749 E750 L753 P833 A838 K839 L840 | F749-L836 WeakPolarHBondContact O-CD1 3.41Å; E750-L836 WeakPolarHBondContact O-CG 3.39Å; L753-L836 HydrophobicContact CB-CD1 4Å; P833-L836 WeakPolarHBondContact O-CA 3.46Å; P833-L836 PolarHBondContact O-N 2.82Å; L836-A838 VanDerWaalsContact C-N 3.31Å; L836-A838 PolarHBondContact O-N 3.34Å; L836-K839 HydrophobicContact CD2-CD 4.04Å; L836-K839 PolarHBondContact O-N 3.41Å; L836-L840 HydrophobicContact CD2-CD1 4.26Å; L836-L840 WeakPolarHBondContact O-CB 3.4Å; L836-L840 PolarHBondContact O-N 3.48Å |
| 837 | A | 80.1 | Confident | 83.3 | Confident | 18 Ų | 18 | 75.1 Ų | 75.1 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P833 K834 K841 L842 | P833-A837 PolarHBondContact O-N 3.42Å; K834-A837 PolarHBondContact O-N 3.08Å; A837-K841 CarbonylContact O-C 3.52Å; A837-K841 VanDerWaalsContact O-CA 3.27Å; A837-K841 WeakPolarHBondContact O-CA 3.46Å; A837-K841 PolarHBondContact O-N 3.36Å; A837-L842 PolarHBondContact O-N 3.27Å |
| 838 | A | 79 | Confident | 83.1 | Confident | 79 Ų | 79 | 71 Ų | 71 | 65% | 0.653 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.4 | -48.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K834 L836 L840 K841 | K834-A838 PolarHBondContact O-N 3.17Å; K834-A838 VanDerWaalsContact O-N 3.15Å; L836-A838 VanDerWaalsContact C-N 3.31Å; L836-A838 PolarHBondContact O-N 3.34Å; A838-L840 PolarHBondContact O-N 2.82Å; A838-K841 PolarHBondContact O-N 2.94Å |
| 839 | K | 75.4 | Confident | 82.8 | Confident | 104 Ų | 104 | 71.3 Ų | 71.3 | 45% | 0.452 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | -175.9 | 178.5 | -177.3 | -177.9 | 179.1 | 0 | 113.4 | H751 Y835 L836 | H751-K839 PolarHBondContact O-NZ 2.86Å; Y835-K839 HydrophobicContact CD1-CD 4.32Å; Y835-K839 HydrophobicContact CE1-CD 3.62Å; Y835-K839 HydrophobicContact CE2-CD 4.28Å; Y835-K839 WeakPolarHBondContact O-CB 3.18Å; Y835-K839 PolarHBondContact O-N 3.1Å; Y835-K839 WeakPolarHBondContact OH-CE 3.35Å; Y835-K839 PolarHBondContact OH-NZ 3.11Å; L836-K839 HydrophobicContact CD2-CD 4.04Å; L836-K839 PolarHBondContact O-N 3.41Å |
| 840 | L | 77.3 | Confident | 82.6 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 48% | 0.476 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -101.4 | -1 | -177.1 | -59.3 | 177.4 | 0 | 0 | 0 | 113 | L753 L836 A838 L842 | L753-L840 HydrophobicContact CB-CD1 4.37Å; L836-L840 HydrophobicContact CD2-CD1 4.26Å; L836-L840 WeakPolarHBondContact O-CB 3.4Å; L836-L840 PolarHBondContact O-N 3.48Å; A838-L840 PolarHBondContact O-N 2.82Å; L840-L842 VanDerWaalsContact C-N 3.26Å; L840-L842 HydrophobicContact CB-CD1 3.9Å; L840-L842 HydrophobicContact CB-CG 3.82Å; L840-L842 HydrophobicContact CD1-CD1 4.02Å; L840-L842 PolarHBondContact O-N 3.29Å |
| 841 | K | 81.3 | Confident | 82.1 | Confident | 192 Ų | 192 | 73.4 Ų | 73.4 | 84% | 0.835 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39 | -175.8 | -56.1 | -178.3 | -179.4 | 179.7 | 0 | 113.3 | A837 A838 | A837-K841 CarbonylContact O-C 3.52Å; A837-K841 VanDerWaalsContact O-CA 3.27Å; A837-K841 WeakPolarHBondContact O-CA 3.46Å; A837-K841 PolarHBondContact O-N 3.36Å; A838-K841 PolarHBondContact O-N 2.94Å |
| 842 | L | 82 | Confident | 82 | Confident | 53 Ų | 53 | 67.3 Ų | 67.3 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | trans | -78.7 | 158.3 | 176.8 | -62.8 | 167.5 | 0 | 0 | 0 | 110.5 | L753 Y832 A837 L840 | L753-L842 HydrophobicContact CD2-CD1 3.73Å; Y832-L842 HydrophobicContact CD1-CD1 4.32Å; Y832-L842 HydrophobicContact CD2-CB 4Å; Y832-L842 HydrophobicContact CD2-CD1 4.19Å; Y832-L842 HydrophobicContact CE1-CD1 4.42Å; Y832-L842 HydrophobicContact CE2-CB 4.05Å; Y832-L842 HydrophobicContact CE2-CD1 4.23Å; Y832-L842 HydrophobicContact CG-CD1 4.2Å; A837-L842 PolarHBondContact O-N 3.27Å; L840-L842 VanDerWaalsContact C-N 3.26Å; L840-L842 HydrophobicContact CB-CD1 3.9Å; L840-L842 HydrophobicContact CB-CG 3.82Å; L840-L842 HydrophobicContact CD1-CD1 4.02Å; L840-L842 PolarHBondContact O-N 3.29Å | ||
| 843 | P | 84.7 | Confident | 81.8 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | trans | -58.1 | 165.8 | 162.5 | 28.4 | -36.2 | 0 | 0 | 0 | 110.9 | Y832 S845 | Y832-P843 VanDerWaalsContact CD2-O 3.28Å; Y832-P843 WeakPolarHBondContact CD2-O 3.35Å; Y832-P843 HydrophobicContact CE2-CG 4.29Å; P843-S845 WeakPolarHBondContact CG-O 3.48Å; P843-S845 PolarHBondContact O-N 3.37Å | ||
| 844 | P | 84.1 | Confident | 81.6 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -65.2 | -25.9 | 176.8 | 27 | -35.4 | 0 | 0 | 0 | 113.3 | Y832 | Y832-P844 PolarHBondContact N-O 3.34Š|
| 845 | S | 87.8 | Confident | 82 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 164.7 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | F830 P843 | F830-S845 CarbonylContact O-C 3.55Å; F830-S845 WeakPolarHBondContact O-CA 3.07Å; F830-S845 WeakPolarHBondContact O-CB 3.21Å; P843-S845 WeakPolarHBondContact CG-O 3.48Å; P843-S845 PolarHBondContact O-N 3.37Å |
| 846 | S | 85.4 | Confident | 82.5 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 168.4 | 175.9 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | T829 F830 Y832 E848 | T829-S846 CarbonylContact C-O 3.54Å; T829-S846 VanDerWaalsContact CA-O 3.23Å; T829-S846 WeakPolarHBondContact CA-O 3.37Å; F830-S846 PolarHBondContact N-O 3.22Å; F830-S846 PolarHBondContact O-N 2.87Å; Y832-S846 VanDerWaalsContact CZ-OG 3.23Å; Y832-S846 VanDerWaalsContact OH-CB 3.26Å; Y832-S846 WeakPolarHBondContact OH-CB 3.45Å; Y832-S846 PolarHBondContact OH-OG 3.5Å; S846-E848 WeakPolarHBondContact CB-OE1 3.48Å; S846-E848 VanDerWaalsContact OG-CD 3.24Å; S846-E848 WeakPolarHBondContact OG-CG 3.28Å; S846-E848 PolarHBondContact OG-OE1 3.28Å |
| 847 | N | 87.5 | Confident | 82.9 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 110.1 | 170.6 | -72.9 | -14.8 | 0 | 0 | 0 | 109.3 | K827 T829 | K827-N847 HydrophobicContact CB-CB 4.08Å; T829-N847 WeakPolarHBondContact CA-OD1 3.3Å; T829-N847 WeakPolarHBondContact CB-OD1 3.47Å; T829-N847 PolarHBondContact OG1-OD1 2.98Å |
| 848 | E | 83.8 | Confident | 82.9 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141 | -169.7 | -57.3 | -68.6 | -179.6 | 0 | 0 | 111.4 | V757 K827 K828 F830 Y832 S846 | V757-E848 HydrophobicContact CB-CB 3.98Å; V757-E848 HydrophobicContact CB-CG 3.95Å; V757-E848 HydrophobicContact CG2-CB 4.22Å; V757-E848 HydrophobicContact CG2-CG 3.67Å; K827-E848 CarbonylContact C-O 3.49Å; K827-E848 VanDerWaalsContact CA-O 3.3Å; K827-E848 WeakPolarHBondContact CA-O 3.45Å; K828-E848 PolarHBondContact N-O 2.8Å; K828-E848 PolarHBondContact O-N 3.4Å; F830-E848 HydrophobicContact CB-CG 4.06Å; Y832-E848 PolarHBondContact OH-OE1 2.98Å; S846-E848 WeakPolarHBondContact CB-OE1 3.48Å; S846-E848 VanDerWaalsContact OG-CD 3.24Å; S846-E848 WeakPolarHBondContact OG-CG 3.28Å; S846-E848 PolarHBondContact OG-OE1 3.28Å |
| 849 | D | 83.8 | Confident | 82.4 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | trans | -82 | 126.5 | 173.7 | -157.5 | -34.9 | 0 | 0 | 0 | 110.3 | K827 M851 | K827-D849 HydrophobicContact CG-CB 4.13Å; D849-M851 PolarHBondContact OD1-N 3.28Å | ||
| 850 | R | 86.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -89.2 | -11 | -179.8 | -49.3 | -51.9 | 173 | 103.1 | 5.8 | 112.1 | S739 L740 D742 V757 R758 K828 T829 V852 | S739-R850 PolarHBondContact O-NH1 2.66Å; L740-R850 HydrophobicContact CD2-CB 4.29Å; L740-R850 HydrophobicContact CD2-CG 4.27Å; D742-R850 IonicContact OD1-CZ 3.34Å; D742-R850 VanDerWaalsContact OD1-CZ 3.25Å; D742-R850 IonicContact OD1-NH1 3.72Å; D742-R850 PolarHBondContact OD1-NH1 3.21Å; D742-R850 IonicContact OD1-NH2 2.72Å; D742-R850 PolarHBondContact OD1-NH2 3.39Å; V757-R850 WeakPolarHBondContact O-CD 3.43Å; R758-R850 WeakPolarHBondContact CD-O 3.49Å; R758-R850 PolarHBondContact NH1-O 3.28Å; K828-R850 HydrophobicContact CB-CG 4.18Å; K828-R850 PolarHBondContact O-NH2 3.48Å; K828-R850 VanDerWaalsContact O-NH2 3.16Å; T829-R850 PolarHBondContact O-NH2 3.39Å; R850-V852 HydrophobicContact CB-CG1 4.2Å; R850-V852 PolarHBondContact O-N 3Å | ||
| 851 | M | 78.6 | Confident | 80.5 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 50% | 0.502 | 34% | 0.339 | S | S | . | . | trans | 52.2 | 38.6 | -179.9 | -63.4 | -72.2 | -68.8 | 0 | 0 | 112.9 | Q756 R758 D849 | Q756-M851 VanDerWaalsContact NE2-CG 3.28Å; R758-M851 PolarHBondContact NH1-O 3.35Å; D849-M851 PolarHBondContact OD1-N 3.28Å | ||
| 852 | V | 83.7 | Confident | 78.5 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 145.9 | 170.4 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | D736 L740 W823 R850 | D736-V852 HydrophobicContact CB-CG1 4.08Å; L740-V852 HydrophobicContact CD1-CG1 4.48Å; L740-V852 HydrophobicContact CD2-CG1 4.03Å; L740-V852 HydrophobicContact CD2-CG2 4.45Å; L740-V852 HydrophobicContact CG-CG1 4.13Å; W823-V852 HydrophobicContact CB-CG2 3.99Å; W823-V852 WeakPolarHBondContact O-CG2 3.37Å; R850-V852 HydrophobicContact CB-CG1 4.2Å; R850-V852 PolarHBondContact O-N 3Å |
| 853 | P | 80.1 | Confident | 76.3 | Confident | 23 Ų | 23 | 61 Ų | 61 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 152.3 | -175.6 | 29.4 | -35.8 | 0 | 0 | 0 | 112.6 | D736 Y818 | D736-P853 WeakPolarHBondContact OD2-CD 3.29Å; Y818-P853 HydrophobicContact CE2-CG 4.43Å |
| 854 | P | 80.3 | Confident | 73.8 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -67 | 146.4 | 169.6 | 30.3 | -34.8 | 0 | 0 | 0 | 110.9 | A824 P856 | A824-P854 HydrophobicContact CB-CB 4.13Å; P854-P856 VanDerWaalsContact C-CD 3.41Å; P854-P856 WeakPolarHBondContact O-CD 3.32Å |
| 855 | Q | 87.8 | Confident | 71.6 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | trans | -118.1 | 73.4 | -179 | -65.2 | -70.3 | -3.5 | 0 | 0 | 110.9 | Y818 F819 N873 K876 | Y818-Q855 WeakPolarHBondContact O-CG 3.25Å; Y818-Q855 PolarHBondContact OH-NE2 2.96Å; F819-Q855 WeakPolarHBondContact O-CB 3.34Å; Q855-N873 PolarHBondContact OE1-ND2 2.93Å; Q855-K876 HydrophobicContact CB-CD 4.28Å; Q855-K876 WeakPolarHBondContact O-CD 3.43Å; Q855-K876 PolarHBondContact O-NZ 3.23Å | ||
| 856 | P | 87 | Confident | 69.2 | Low | 52 Ų | 52 | 66.3 Ų | 66.3 | 34% | 0.338 | 37% | 0.374 | S | S | . | . | trans | -72.2 | 168.6 | 171.8 | 35 | -37.5 | 0 | 0 | 0 | 110.9 | P854 V858 F859 N873 | P854-P856 VanDerWaalsContact C-CD 3.41Å; P854-P856 WeakPolarHBondContact O-CD 3.32Å; P856-V858 VanDerWaalsContact CB-O 3.32Å; P856-V858 WeakPolarHBondContact CB-O 3.22Å; P856-V858 VanDerWaalsContact CG-O 3.24Å; P856-V858 WeakPolarHBondContact CG-O 3.35Å; P856-F859 HydrophobicContact CG-CD1 3.81Å; P856-F859 HydrophobicContact CG-CE1 4.08Å; P856-N873 WeakPolarHBondContact O-CB 3.27Å; P856-N873 PolarHBondContact O-ND2 3.32Å | ||
| 857 | Y | 84.7 | Confident | 66.7 | Low | 23 Ų | 23 | 73.8 Ų | 73.8 | 9% | 0.09 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -78.3 | -22.5 | 171.2 | -62.4 | -65.8 | 0 | 0 | 0 | 113.3 | N873 K876 L877 N900 E902 F903 | Y857-N873 PolarHBondContact O-N 2.82Å; Y857-K876 HydrophobicContact CD1-CD 3.99Å; Y857-K876 HydrophobicContact CE1-CD 4.03Å; Y857-L877 HydrophobicContact CD1-CD2 3.92Å; Y857-L877 HydrophobicContact CE1-CD2 4.29Å; Y857-N900 PolarHBondContact OH-ND2 3.03Å; Y857-N900 VanDerWaalsContact OH-ND2 3.14Å; Y857-E902 HydrophobicContact CD2-CG 3.83Å; Y857-E902 HydrophobicContact CE2-CB 4.4Å; Y857-E902 HydrophobicContact CE2-CG 4.03Å; Y857-F903 AromaticContact CE1-CD2 3.96Å; Y857-F903 HydrophobicContact CE1-CD2 3.96Å |
| 858 | V | 79.4 | Confident | 64.4 | Low | 41 Ų | 41 | 74.6 Ų | 74.6 | 25% | 0.248 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.9 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | P856 L870 L871 L872 | P856-V858 VanDerWaalsContact CB-O 3.32Å; P856-V858 WeakPolarHBondContact CB-O 3.22Å; P856-V858 VanDerWaalsContact CG-O 3.24Å; P856-V858 WeakPolarHBondContact CG-O 3.35Å; V858-L870 HydrophobicContact CG1-CD2 4.32Å; V858-L871 CarbonylContact C-O 3.36Å; V858-L871 WeakPolarHBondContact CA-O 3.5Å; V858-L871 WeakPolarHBondContact CG1-O 3.49Å; V858-L872 HydrophobicContact CG2-CD2 3.98Å |
| 859 | F | 69.3 | Low | 62.6 | Low | 90 Ų | 90 | 80.5 Ų | 80.5 | 40% | 0.395 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -49.9 | 176.7 | -70.8 | -64.9 | 0 | 0 | 0 | 111.8 | P856 L871 N873 | P856-F859 HydrophobicContact CG-CD1 3.81Å; P856-F859 HydrophobicContact CG-CE1 4.08Å; F859-L871 HydrophobicContact CB-CD2 4.2Å; F859-L871 HydrophobicContact CD2-CD2 4.47Å; F859-L871 PolarHBondContact N-O 2.88Å; F859-N873 HydrophobicContact CD2-CB 4.1Å; F859-N873 HydrophobicContact CE2-CB 3.54Å; F859-N873 HydrophobicContact CZ-CB 3.86Å; F859-N873 VanDerWaalsContact CZ-CG 3.44Å; F859-N873 WeakPolarHBondContact CZ-ND2 3.3Å |
| 860 | E | 63.1 | Low | 61.6 | Low | 128 Ų | 128 | 81.4 Ų | 81.4 | 60% | 0.598 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.1 | 176.6 | -70.2 | -159 | 145.9 | 0 | 0 | 113.6 | L871 | E860-L871 PolarHBondContact O-N 2.89Å |
| 861 | E | 48.9 | Very low | 60.8 | Low | 103 Ų | 103 | 86.4 Ų | 86.4 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 77.7 | 159.6 | -69.9 | -161.4 | 167.1 | 0 | 0 | 110 | K868 L870 | E861-K868 WeakPolarHBondContact OE2-CE 3.45Å; E861-K868 IonicContact OE2-NZ 2.67Å; E861-K868 PolarHBondContact OE2-NZ 2.8Å; E861-L870 HydrophobicContact CG-CD2 3.7Å; E861-L870 HydrophobicContact CG-CG 4.06Å |
| 862 | S | 40.6 | Very low | 60.8 | Low | 35 Ų | 35 | 83.1 Ų | 83.1 | 25% | 0.245 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.1 | -177.5 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | I864 K869 | S862-I864 PolarHBondContact O-N 3.2Å; S862-K869 PolarHBondContact N-O 2.8Å; S862-K869 PolarHBondContact O-N 3.25Å; S862-K869 VanDerWaalsContact O-N 3.12Å |
| 863 | Q | 34.7 | Very low | 60.9 | Low | 155 Ų | 155 | 82.9 Ų | 82.9 | 72% | 0.724 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 66 | 178 | -66.9 | -171.4 | 23 | 0 | 0 | 111.1 | K868 | Q863-K868 HydrophobicContact CG-CG 4.34Å |
| 864 | I | 32.4 | Very low | 61.1 | Low | 123 Ų | 123 | 84 Ų | 84 | 63% | 0.631 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 124 | 177 | -56.7 | -179.8 | 0 | 0 | 0 | 108.8 | S862 G866 | S862-I864 PolarHBondContact O-N 3.2Å; I864-G866 PolarHBondContact O-N 3.13Å |
| 865 | S | 38.3 | Very low | 61.5 | Low | 124 Ų | 124 | 80.1 Ų | 80.1 | 87% | 0.867 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 34.4 | -179.9 | -58.6 | 0 | 0 | 0 | 0 | 115.3 | K867 | S865-K867 PolarHBondContact O-N 3.14Å; S865-K867 VanDerWaalsContact O-N 3.08Å |
| 866 | G | 37.9 | Very low | 61.7 | Low | 76 Ų | 76 | 80 Ų | 80 | 78% | 0.784 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | -17.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I864 | I864-G866 PolarHBondContact O-N 3.13Š|
| 867 | K | 33.2 | Very low | 61.8 | Low | 180 Ų | 180 | 77.5 Ų | 77.5 | 78% | 0.783 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.3 | 167.7 | -70.1 | -173.1 | 175.6 | -175.1 | 0 | 109 | S865 K869 | S865-K867 PolarHBondContact O-N 3.14Å; S865-K867 VanDerWaalsContact O-N 3.08Å; K867-K869 PolarHBondContact O-N 2.82Å |
| 868 | K | 39 | Very low | 61.9 | Low | 113 Ų | 113 | 76.6 Ų | 76.6 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 115.6 | 171.6 | -75.4 | -169.5 | 175.9 | -166.6 | 0 | 109.6 | E861 Q863 | E861-K868 WeakPolarHBondContact OE2-CE 3.45Å; E861-K868 IonicContact OE2-NZ 2.67Å; E861-K868 PolarHBondContact OE2-NZ 2.8Å; Q863-K868 HydrophobicContact CG-CG 4.34Å |
| 869 | K | 45.5 | Very low | 62.5 | Low | 164 Ų | 164 | 74.7 Ų | 74.7 | 71% | 0.713 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 111.5 | 166.2 | -158.2 | 174.8 | -174.8 | -178.6 | 0 | 107.9 | S862 K867 | S862-K869 PolarHBondContact N-O 2.8Å; S862-K869 PolarHBondContact O-N 3.25Å; S862-K869 VanDerWaalsContact O-N 3.12Å; K867-K869 PolarHBondContact O-N 2.82Å |
| 870 | L | 62.1 | Low | 63.7 | Low | 58 Ų | 58 | 70.4 Ų | 70.4 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.7 | 176 | -75.8 | 113.3 | 0 | 0 | 0 | 109.9 | V858 E861 | V858-L870 HydrophobicContact CG1-CD2 4.32Å; E861-L870 HydrophobicContact CG-CD2 3.7Å; E861-L870 HydrophobicContact CG-CG 4.06Å |
| 871 | L | 70.7 | Confident | 65.2 | Low | 105 Ų | 105 | 64.3 Ų | 64.3 | 55% | 0.55 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 103.6 | 175.8 | -163.2 | 71.5 | 0 | 0 | 0 | 110.2 | V858 F859 E860 | V858-L871 CarbonylContact C-O 3.36Å; V858-L871 WeakPolarHBondContact CA-O 3.5Å; V858-L871 WeakPolarHBondContact CG1-O 3.49Å; F859-L871 HydrophobicContact CB-CD2 4.2Å; F859-L871 HydrophobicContact CD2-CD2 4.47Å; F859-L871 PolarHBondContact N-O 2.88Å; E860-L871 PolarHBondContact O-N 2.89Å |
| 872 | L | 77.8 | Confident | 67.2 | Low | 32 Ų | 32 | 62.7 Ų | 62.7 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 144.8 | 179 | -76 | 163.6 | 0 | 0 | 0 | 111.7 | V858 L874 N906 R909 | V858-L872 HydrophobicContact CG2-CD2 3.98Å; L872-L874 HydrophobicContact CB-CD2 4.13Å; L872-L874 HydrophobicContact CB-CG 4.44Å; L872-L874 PolarHBondContact O-N 2.99Å; L872-L874 VanDerWaalsContact O-N 3.12Å; L872-N906 HydrophobicContact CD2-CB 4.18Å; L872-R909 HydrophobicContact CD1-CB 4.17Å |
| 873 | N | 85.6 | Confident | 69.9 | Low | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | trans | -84.5 | 78.4 | 172.7 | -173.4 | -8.9 | 0 | 0 | 0 | 110.5 | Q855 P856 Y857 F859 R875 K876 L877 | Q855-N873 PolarHBondContact OE1-ND2 2.93Å; P856-N873 WeakPolarHBondContact O-CB 3.27Å; P856-N873 PolarHBondContact O-ND2 3.32Å; Y857-N873 PolarHBondContact O-N 2.82Å; F859-N873 HydrophobicContact CD2-CB 4.1Å; F859-N873 HydrophobicContact CE2-CB 3.54Å; F859-N873 HydrophobicContact CZ-CB 3.86Å; F859-N873 VanDerWaalsContact CZ-CG 3.44Å; F859-N873 WeakPolarHBondContact CZ-ND2 3.3Å; N873-R875 VanDerWaalsContact C-N 3.33Å; N873-R875 PolarHBondContact O-N 2.67Å; N873-K876 HydrophobicContact CB-CB 4.29Å; N873-K876 WeakPolarHBondContact ND2-CB 3.44Å; N873-K876 PolarHBondContact O-N 3.4Å; N873-K876 PolarHBondContact OD1-N 2.66Å; N873-K876 VanDerWaalsContact OD1-N 3.1Å; N873-L877 WeakPolarHBondContact O-CG 3.26Å; N873-L877 PolarHBondContact O-N 2.75Å | ||
| 874 | L | 84 | Confident | 72.7 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | -177.5 | -61.4 | 177.5 | 0 | 0 | 0 | 112.3 | D781 L872 K876 L877 N878 | D781-L874 HydrophobicContact CB-CB 3.72Å; L872-L874 HydrophobicContact CB-CD2 4.13Å; L872-L874 HydrophobicContact CB-CG 4.44Å; L872-L874 PolarHBondContact O-N 2.99Å; L872-L874 VanDerWaalsContact O-N 3.12Å; L874-K876 PolarHBondContact O-N 2.85Å; L874-L877 HydrophobicContact CD2-CD1 4.39Å; L874-L877 PolarHBondContact O-N 3.2Å; L874-N878 WeakPolarHBondContact O-CB 3.48Å; L874-N878 PolarHBondContact O-N 3.16Å |
| 875 | R | 89.2 | Confident | 75.5 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 4% | 0.038 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.3 | -53.8 | 173.4 | -67.7 | -67.4 | -68.5 | 149 | -11.5 | 111.7 | G728 E733 D781 I783 F819 N873 L877 N878 E879 | G728-R875 PolarHBondContact O-NH2 3.06Å; E733-R875 IonicContact OE1-CZ 2.8Å; E733-R875 IonicContact OE1-NE 2.74Å; E733-R875 PolarHBondContact OE1-NE 2.88Å; E733-R875 IonicContact OE1-NH2 2.65Å; E733-R875 PolarHBondContact OE1-NH2 3.45Å; E733-R875 IonicContact OE2-CZ 2.71Å; E733-R875 IonicContact OE2-NE 3.97Å; E733-R875 IonicContact OE2-NH2 3.24Å; E733-R875 PolarHBondContact OE2-NH2 2.9Å; D781-R875 HydrophobicContact CB-CG 4.05Å; D781-R875 WeakPolarHBondContact OD2-CD 3.44Å; D781-R875 IonicContact OD2-CZ 2.88Å; D781-R875 IonicContact OD2-NH1 3.52Å; D781-R875 PolarHBondContact OD2-NH1 3.11Å; I783-R875 HydrophobicContact CD1-CG 3.72Å; I783-R875 HydrophobicContact CG1-CG 3.96Å; F819-R875 HydrophobicContact CE1-CB 3.9Å; F819-R875 HydrophobicContact CZ-CB 4.48Å; N873-R875 VanDerWaalsContact C-N 3.33Å; N873-R875 PolarHBondContact O-N 2.67Å; R875-L877 VanDerWaalsContact C-N 3.3Å; R875-L877 PolarHBondContact O-N 2.79Å; R875-N878 PolarHBondContact O-N 3.2Å; R875-E879 IonicContact CZ-OE1 2.71Å; R875-E879 VanDerWaalsContact NH1-CG 3.33Å; R875-E879 IonicContact NH1-OE1 3.93Å; R875-E879 PolarHBondContact NH1-OE1 2.9Å; R875-E879 IonicContact NH2-OE1 2.84Å; R875-E879 PolarHBondContact O-N 3.41Å |
| 876 | K | 91.5 | Very high | 78 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -39.5 | 176 | 179.8 | 177.4 | -172.9 | 177.9 | 0 | 112.2 | F819 Q855 Y857 N873 L874 N878 L880 | F819-K876 HydrophobicContact CD1-CB 4.47Å; F819-K876 VanDerWaalsContact O-CD 3.3Å; F819-K876 WeakPolarHBondContact O-CD 3.39Å; F819-K876 WeakPolarHBondContact O-CE 3.26Å; F819-K876 WeakPolarHBondContact O-CG 3.49Å; Q855-K876 HydrophobicContact CB-CD 4.28Å; Q855-K876 WeakPolarHBondContact O-CD 3.43Å; Q855-K876 PolarHBondContact O-NZ 3.23Å; Y857-K876 HydrophobicContact CD1-CD 3.99Å; Y857-K876 HydrophobicContact CE1-CD 4.03Å; N873-K876 HydrophobicContact CB-CB 4.29Å; N873-K876 WeakPolarHBondContact ND2-CB 3.44Å; N873-K876 PolarHBondContact O-N 3.4Å; N873-K876 PolarHBondContact OD1-N 2.66Å; N873-K876 VanDerWaalsContact OD1-N 3.1Å; L874-K876 PolarHBondContact O-N 2.85Å; K876-N878 VanDerWaalsContact C-N 3.3Å; K876-N878 PolarHBondContact O-N 2.77Å; K876-L880 HydrophobicContact CG-CD2 4.3Å; K876-L880 WeakPolarHBondContact O-CB 3.42Å; K876-L880 PolarHBondContact O-N 2.9Å |
| 877 | L | 89.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.3 | -24 | -178.8 | -68.7 | 169.2 | 0 | 0 | 0 | 113.1 | Y857 N873 L874 R875 F903 N906 K907 | Y857-L877 HydrophobicContact CD1-CD2 3.92Å; Y857-L877 HydrophobicContact CE1-CD2 4.29Å; N873-L877 WeakPolarHBondContact O-CG 3.26Å; N873-L877 PolarHBondContact O-N 2.75Å; L874-L877 HydrophobicContact CD2-CD1 4.39Å; L874-L877 PolarHBondContact O-N 3.2Å; R875-L877 VanDerWaalsContact C-N 3.3Å; R875-L877 PolarHBondContact O-N 2.79Å; L877-F903 HydrophobicContact CD2-CD2 4.02Å; L877-F903 HydrophobicContact CD2-CE2 3.87Å; L877-F903 HydrophobicContact CD2-CZ 4.42Å; L877-N906 HydrophobicContact CD1-CB 4.48Å; L877-N906 HydrophobicContact CD2-CB 4.41Å; L877-K907 HydrophobicContact CB-CD 4.06Å; L877-K907 HydrophobicContact CD2-CB 4.3Å; L877-K907 PolarHBondContact O-NZ 3.32Å |
| 878 | N | 87.6 | Confident | 83.1 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -107.1 | -34.4 | -172.1 | -66.3 | -16 | 0 | 0 | 0 | 114.6 | R726 R727 D781 L874 R875 K876 K907 T911 | R726-N878 PolarHBondContact NH1-O 3.01Å; R727-N878 PolarHBondContact NH1-ND2 3.08Å; D781-N878 PolarHBondContact OD1-ND2 3.26Å; L874-N878 WeakPolarHBondContact O-CB 3.48Å; L874-N878 PolarHBondContact O-N 3.16Å; R875-N878 PolarHBondContact O-N 3.2Å; K876-N878 VanDerWaalsContact C-N 3.3Å; K876-N878 PolarHBondContact O-N 2.77Å; N878-K907 PolarHBondContact OD1-NZ 2.85Å; N878-T911 WeakPolarHBondContact OD1-CG2 3.29Å |
| 879 | E | 91.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -88.1 | -33.4 | 178.8 | -65 | -74.4 | 178 | 0 | 0 | 112.8 | R726 R727 F819 R875 W882 H883 | R726-E879 WeakPolarHBondContact CB-OE2 3.39Å; R726-E879 PolarHBondContact N-OE2 3.35Å; R727-E879 PolarHBondContact N-OE1 3.21Å; R727-E879 VanDerWaalsContact N-OE1 3.09Å; F819-E879 HydrophobicContact CD2-CB 3.75Å; F819-E879 HydrophobicContact CE2-CB 3.44Å; F819-E879 VanDerWaalsContact CE2-CB 3.44Å; F819-E879 HydrophobicContact CE2-CG 3.84Å; F819-E879 HydrophobicContact CZ-CB 4.03Å; F819-E879 HydrophobicContact CZ-CG 4.03Å; R875-E879 IonicContact CZ-OE1 2.71Å; R875-E879 VanDerWaalsContact NH1-CG 3.33Å; R875-E879 IonicContact NH1-OE1 3.93Å; R875-E879 PolarHBondContact NH1-OE1 2.9Å; R875-E879 IonicContact NH2-OE1 2.84Å; R875-E879 PolarHBondContact O-N 3.41Å; E879-W882 WeakPolarHBondContact O-CB 3.49Å; E879-W882 PolarHBondContact O-N 3.38Å; E879-H883 PolarHBondContact O-CD2 2.74Å; E879-H883 PolarHBondContact O-N 3.45Å; E879-H883 VanDerWaalsContact O-N 3.1Å; E879-H883 IonicContact OE2-CE1 2.68Å; E879-H883 IonicContact OE2-NE2 3.6Å; E879-H883 PolarHBondContact OE2-NE2 2.88Å |
| 880 | L | 94.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | -173.9 | -177.6 | 62.1 | 0 | 0 | 0 | 114.5 | A816 F819 L820 K876 W882 H883 L884 I897 | A816-L880 HydrophobicContact CB-CD1 4.33Å; F819-L880 HydrophobicContact CB-CB 4.33Å; F819-L880 HydrophobicContact CB-CD1 4.28Å; L820-L880 HydrophobicContact CD2-CD1 4.06Å; L820-L880 HydrophobicContact CD2-CD2 3.95Å; L820-L880 HydrophobicContact CG-CD1 3.85Å; K876-L880 HydrophobicContact CG-CD2 4.3Å; K876-L880 WeakPolarHBondContact O-CB 3.42Å; K876-L880 PolarHBondContact O-N 2.9Å; L880-W882 VanDerWaalsContact C-N 3.34Å; L880-W882 PolarHBondContact O-N 3.06Å; L880-H883 PolarHBondContact O-N 3.49Å; L880-L884 HydrophobicContact CD1-CD1 3.76Å; L880-L884 HydrophobicContact CD1-CG 3.87Å; L880-L884 HydrophobicContact CG-CD1 3.91Å; L880-L884 HydrophobicContact CG-CG 4.4Å; L880-L884 PolarHBondContact O-N 3.45Å; L880-I897 HydrophobicContact CG-CD1 4.48Å |
| 881 | P | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.9 | -21.3 | 33.8 | 0 | 0 | 0 | 112.8 | C885 F893 I897 F903 D919 L922 | P881-C885 WeakPolarHBondContact O-CB 3.16Å; P881-C885 PolarHBondContact O-N 2.76Å; P881-C885 VanDerWaalsContact O-N 3.13Å; P881-F893 HydrophobicContact CB-CE2 3.95Å; P881-I897 VanDerWaalsContact CA-CD1 3.46Å; P881-I897 HydrophobicContact CB-CD1 3.79Å; P881-I897 HydrophobicContact CG-CD1 3.83Å; P881-I897 HydrophobicContact CG-CG1 4.38Å; P881-F903 HydrophobicContact CG-CE2 4.24Å; P881-F903 HydrophobicContact CG-CZ 3.72Å; P881-D919 HydrophobicContact CB-CB 3.97Å; P881-D919 HydrophobicContact CG-CB 4.2Å; P881-L922 HydrophobicContact CB-CD1 4.29Å |
| 882 | W | 92.5 | Very high | 89.7 | Confident | 69 Ų | 69 | 22.2 Ų | 22.2 | 26% | 0.261 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 178.3 | -177.5 | -111.7 | 0 | 0 | 0 | 111.3 | R726 E879 L880 H886 L922 | R726-W882 HydrophobicContact CB-CG 4.11Å; R726-W882 HydrophobicContact CG-CD2 4.19Å; R726-W882 HydrophobicContact CG-CG 4.09Å; E879-W882 WeakPolarHBondContact O-CB 3.49Å; E879-W882 PolarHBondContact O-N 3.38Å; L880-W882 VanDerWaalsContact C-N 3.34Å; L880-W882 PolarHBondContact O-N 3.06Å; W882-H886 AromaticContact CD2-CE1 3.63Å; W882-H886 AromaticContact CD2-ND1 3.66Å; W882-H886 AromaticContact CE2-CE1 3.6Å; W882-H886 AromaticContact CE2-ND1 3.77Å; W882-H886 AromaticContact CE3-CE1 3.52Å; W882-H886 AromaticContact CE3-ND1 3.9Å; W882-H886 AromaticContact CH2-CE1 3.39Å; W882-H886 WeakPolarHBondContact CH2-CE1 3.46Å; W882-H886 AromaticContact CH2-NE2 3.83Å; W882-H886 AromaticContact CZ2-CE1 3.49Å; W882-H886 VanDerWaalsContact CZ2-CE1 3.49Å; W882-H886 WeakPolarHBondContact CZ2-CE1 3.44Å; W882-H886 AromaticContact CZ2-NE2 3.83Å; W882-H886 AromaticContact CZ3-CE1 3.42Å; W882-H886 VanDerWaalsContact CZ3-CE1 3.42Å; W882-H886 WeakPolarHBondContact CZ3-CE1 3.47Å; W882-H886 WeakPolarHBondContact O-CB 3.39Å; W882-H886 PolarHBondContact O-N 3.1Å; W882-H886 PolarHBondContact O-ND1 3.44Å; W882-L922 HydrophobicContact CE3-CD1 4.17Å; W882-L922 HydrophobicContact CE3-CD2 3.86Å; W882-L922 HydrophobicContact CZ3-CD2 3.87Å |
| 883 | H | 96.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -77.1 | -33.3 | -177.4 | -65.2 | -31.5 | 0 | 0 | 0 | 114.8 | A724 H812 I815 A816 E879 L880 S887 | A724-H883 PolarHBondContact O-CE1 2.98Å; A724-H883 VanDerWaalsContact O-CE1 3.27Å; H812-H883 AromaticContact ND1-CE1 3.88Å; H812-H883 AromaticContact ND1-ND1 3.27Å; H812-H883 PolarHBondContact ND1-ND1 3.25Å; I815-H883 WeakPolarHBondContact CG2-CD2 3.41Å; I815-H883 WeakPolarHBondContact CG2-NE2 3.3Å; A816-H883 HydrophobicContact CB-CB 4.07Å; E879-H883 PolarHBondContact O-CD2 2.74Å; E879-H883 PolarHBondContact O-N 3.45Å; E879-H883 VanDerWaalsContact O-N 3.1Å; E879-H883 IonicContact OE2-CE1 2.68Å; E879-H883 IonicContact OE2-NE2 3.6Å; E879-H883 PolarHBondContact OE2-NE2 2.88Å; L880-H883 PolarHBondContact O-N 3.49Å; H883-S887 VanDerWaalsContact O-CB 3.3Å; H883-S887 WeakPolarHBondContact O-CB 3.44Å; H883-S887 PolarHBondContact O-N 2.71Å; H883-S887 PolarHBondContact O-OG 2.76Å |
| 884 | L | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66 | -39 | 172.4 | -77.2 | 174.7 | 0 | 0 | 0 | 111.7 | A816 L880 S887 R889 E892 F893 I897 | A816-L884 HydrophobicContact CB-CD2 3.91Å; A816-L884 HydrophobicContact CB-CG 4.19Å; L880-L884 HydrophobicContact CD1-CD1 3.76Å; L880-L884 HydrophobicContact CD1-CG 3.87Å; L880-L884 HydrophobicContact CG-CD1 3.91Å; L880-L884 HydrophobicContact CG-CG 4.4Å; L880-L884 PolarHBondContact O-N 3.45Å; L884-S887 PolarHBondContact O-OG 2.77Å; L884-R889 HydrophobicContact CD2-CB 3.87Å; L884-R889 PolarHBondContact O-N 2.89Å; L884-E892 HydrophobicContact CD2-CB 3.97Å; L884-F893 HydrophobicContact CB-CB 4.17Å; L884-F893 HydrophobicContact CB-CD2 4.23Å; L884-I897 HydrophobicContact CD1-CD1 3.83Å |
| 885 | C | 90.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.02 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.6 | -54.1 | 173 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | P881 S887 G888 F893 L922 Y994 | P881-C885 WeakPolarHBondContact O-CB 3.16Å; P881-C885 PolarHBondContact O-N 2.76Å; P881-C885 VanDerWaalsContact O-N 3.13Å; C885-S887 VanDerWaalsContact C-N 3.3Å; C885-S887 PolarHBondContact O-N 2.91Å; C885-G888 WeakPolarHBondContact O-CA 3.36Å; C885-G888 PolarHBondContact O-N 3.22Å; C885-F893 HydrophobicContact CB-CD2 4.42Å; C885-L922 HydrophobicContact CB-CB 4.11Å; C885-Y994 PolarHBondContact O-OH 3.15Å |
| 886 | H | 90 | Very high | 91.3 | Very high | 46 Ų | 46 | 23.1 Ų | 23.1 | 21% | 0.213 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.7 | -19.6 | -174.5 | -75.2 | 82.1 | 0 | 0 | 0 | 115.1 | H812 W882 G888 Y994 | H812-H886 HydrophobicContact CB-CB 4.29Å; H812-H886 VanDerWaalsContact CD2-CB 3.44Å; H812-H886 WeakPolarHBondContact CD2-CB 3.49Å; W882-H886 AromaticContact CD2-CE1 3.63Å; W882-H886 AromaticContact CD2-ND1 3.66Å; W882-H886 AromaticContact CE2-CE1 3.6Å; W882-H886 AromaticContact CE2-ND1 3.77Å; W882-H886 AromaticContact CE3-CE1 3.52Å; W882-H886 AromaticContact CE3-ND1 3.9Å; W882-H886 AromaticContact CH2-CE1 3.39Å; W882-H886 WeakPolarHBondContact CH2-CE1 3.46Å; W882-H886 AromaticContact CH2-NE2 3.83Å; W882-H886 AromaticContact CZ2-CE1 3.49Å; W882-H886 VanDerWaalsContact CZ2-CE1 3.49Å; W882-H886 WeakPolarHBondContact CZ2-CE1 3.44Å; W882-H886 AromaticContact CZ2-NE2 3.83Å; W882-H886 AromaticContact CZ3-CE1 3.42Å; W882-H886 VanDerWaalsContact CZ3-CE1 3.42Å; W882-H886 WeakPolarHBondContact CZ3-CE1 3.47Å; W882-H886 WeakPolarHBondContact O-CB 3.39Å; W882-H886 PolarHBondContact O-N 3.1Å; W882-H886 PolarHBondContact O-ND1 3.44Å; H886-G888 VanDerWaalsContact C-N 3.29Å; H886-Y994 PolarHBondContact O-OH 2.63Å |
| 887 | S | 91.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.1 | 168.2 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | R809 H883 L884 C885 R889 | R809-S887 WeakPolarHBondContact O-CB 3.48Å; H883-S887 VanDerWaalsContact O-CB 3.3Å; H883-S887 WeakPolarHBondContact O-CB 3.44Å; H883-S887 PolarHBondContact O-N 2.71Å; H883-S887 PolarHBondContact O-OG 2.76Å; L884-S887 PolarHBondContact O-OG 2.77Å; C885-S887 VanDerWaalsContact C-N 3.3Å; C885-S887 PolarHBondContact O-N 2.91Å; S887-R889 VanDerWaalsContact C-N 3.31Å; S887-R889 WeakPolarHBondContact OG-CD 3.5Å; S887-R889 WeakPolarHBondContact OG-CG 3.41Å |
| 888 | G | 87.6 | Confident | 91.3 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 17% | 0.165 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 14.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | C885 H886 F890 | C885-G888 WeakPolarHBondContact O-CA 3.36Å; C885-G888 PolarHBondContact O-N 3.22Å; H886-G888 VanDerWaalsContact C-N 3.29Å; G888-F890 WeakPolarHBondContact O-CD2 3.25Å; G888-F890 PolarHBondContact O-N 2.9Å |
| 889 | R | 91.2 | Very high | 91.5 | Very high | 33 Ų | 33 | 22.5 Ų | 22.5 | 13% | 0.125 | 11% | 0.11 | C | C | . | . | trans | -83.1 | 51.5 | -177.9 | -70.4 | 168.8 | 66.1 | 180 | -6.4 | 111.2 | S813 D817 L884 S887 E891 E892 F893 | S813-R889 PolarHBondContact O-NH1 3.33Å; S813-R889 PolarHBondContact OG-NH1 2.75Å; D817-R889 IonicContact OD1-CZ 2.83Å; D817-R889 VanDerWaalsContact OD1-CZ 3.28Å; D817-R889 IonicContact OD1-NH1 3.2Å; D817-R889 PolarHBondContact OD1-NH1 3.19Å; D817-R889 IonicContact OD1-NH2 2.77Å; D817-R889 PolarHBondContact OD1-NH2 2.75Å; L884-R889 HydrophobicContact CD2-CB 3.87Å; L884-R889 PolarHBondContact O-N 2.89Å; S887-R889 VanDerWaalsContact C-N 3.31Å; S887-R889 WeakPolarHBondContact OG-CD 3.5Å; S887-R889 WeakPolarHBondContact OG-CG 3.41Å; R889-E891 VanDerWaalsContact C-N 3.31Å; R889-E891 PolarHBondContact O-N 3.31Å; R889-E892 HydrophobicContact CB-CB 4.49Å; R889-E892 IonicContact CZ-OE1 2.74Å; R889-E892 IonicContact CZ-OE2 2.73Å; R889-E892 IonicContact NE-OE1 2.94Å; R889-E892 PolarHBondContact NE-OE1 3.4Å; R889-E892 IonicContact NE-OE2 2.71Å; R889-E892 VanDerWaalsContact NH2-CD 3.33Å; R889-E892 IonicContact NH2-OE1 3.47Å; R889-E892 PolarHBondContact NH2-OE1 2.76Å; R889-E892 IonicContact NH2-OE2 2.67Å; R889-E892 PolarHBondContact NH2-OE2 2.92Å; R889-E892 PolarHBondContact O-N 3.02Å; R889-E892 VanDerWaalsContact O-N 3.1Å; R889-F893 PolarHBondContact O-N 3.33Å | ||
| 890 | F | 88.1 | Confident | 91.5 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 13% | 0.127 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.4 | -35.9 | -173.1 | -65.6 | -67.1 | 0 | 0 | 0 | 113.7 | G888 E892 F893 Y894 P923 A926 Y994 | G888-F890 WeakPolarHBondContact O-CD2 3.25Å; G888-F890 PolarHBondContact O-N 2.9Å; F890-E892 VanDerWaalsContact C-N 3.3Å; F890-E892 PolarHBondContact O-N 3.29Å; F890-F893 WeakPolarHBondContact O-CB 3.42Å; F890-F893 PolarHBondContact O-N 3.02Å; F890-Y894 HydrophobicContact CB-CD2 4.47Å; F890-Y894 HydrophobicContact CB-CE2 4.03Å; F890-Y894 WeakPolarHBondContact O-CD2 3.38Å; F890-Y894 PolarHBondContact O-N 2.97Å; F890-P923 HydrophobicContact CD1-CB 4.14Å; F890-P923 HydrophobicContact CE1-CB 4.13Å; F890-A926 HydrophobicContact CE1-CB 4.48Å; F890-A926 HydrophobicContact CZ-CB 4.3Å; F890-Y994 HydrophobicContact CE2-CD1 4.05Å; F890-Y994 HydrophobicContact CE2-CD2 4.19Å; F890-Y994 HydrophobicContact CE2-CE1 4.19Å; F890-Y994 HydrophobicContact CE2-CE2 4.29Å; F890-Y994 HydrophobicContact CE2-CG 4.05Å; F890-Y994 AromaticContact CZ-CD1 3.8Å; F890-Y994 HydrophobicContact CZ-CD1 3.8Å; F890-Y994 AromaticContact CZ-CE1 3.72Å; F890-Y994 HydrophobicContact CZ-CE1 3.72Å; F890-Y994 HydrophobicContact CZ-CG 4.28Å |
| 891 | E | 87.2 | Confident | 91.2 | Very high | 79 Ų | 79 | 23.3 Ų | 23.3 | 37% | 0.369 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.6 | -51.9 | -70.5 | -161.8 | 0 | 0 | 111.9 | R889 Y894 S895 R996 Y1085 | R889-E891 VanDerWaalsContact C-N 3.31Å; R889-E891 PolarHBondContact O-N 3.31Å; E891-Y894 PolarHBondContact O-N 3.32Å; E891-S895 PolarHBondContact O-N 3.21Å; E891-R996 IonicContact OE1-CZ 3.64Å; E891-R996 IonicContact OE1-NH1 2.69Å; E891-R996 PolarHBondContact OE1-NH1 3.05Å; E891-Y1085 VanDerWaalsContact CD-OH 3.3Å; E891-Y1085 PolarHBondContact OE1-OH 3.42Å; E891-Y1085 VanDerWaalsContact OE2-CE1 3.28Å; E891-Y1085 WeakPolarHBondContact OE2-CE1 3.44Å; E891-Y1085 VanDerWaalsContact OE2-CZ 3.31Å; E891-Y1085 PolarHBondContact OE2-OH 3.35Å |
| 892 | E | 89.9 | Confident | 90.9 | Very high | 65 Ų | 65 | 28 Ų | 28 | 30% | 0.304 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -76.8 | -32 | 176.5 | -69.6 | 175.6 | -96 | 0 | 0 | 111.9 | L884 R889 F890 Y894 S895 E896 | L884-E892 HydrophobicContact CD2-CB 3.97Å; R889-E892 HydrophobicContact CB-CB 4.49Å; R889-E892 IonicContact CZ-OE1 2.74Å; R889-E892 IonicContact CZ-OE2 2.73Å; R889-E892 IonicContact NE-OE1 2.94Å; R889-E892 PolarHBondContact NE-OE1 3.4Å; R889-E892 IonicContact NE-OE2 2.71Å; R889-E892 VanDerWaalsContact NH2-CD 3.33Å; R889-E892 IonicContact NH2-OE1 3.47Å; R889-E892 PolarHBondContact NH2-OE1 2.76Å; R889-E892 IonicContact NH2-OE2 2.67Å; R889-E892 PolarHBondContact NH2-OE2 2.92Å; R889-E892 PolarHBondContact O-N 3.02Å; R889-E892 VanDerWaalsContact O-N 3.1Å; F890-E892 VanDerWaalsContact C-N 3.3Å; F890-E892 PolarHBondContact O-N 3.29Å; E892-Y894 VanDerWaalsContact C-N 3.31Å; E892-Y894 PolarHBondContact O-N 2.92Å; E892-S895 PolarHBondContact O-N 2.72Å; E892-E896 VanDerWaalsContact O-CB 3.26Å; E892-E896 WeakPolarHBondContact O-CB 3.28Å; E892-E896 WeakPolarHBondContact O-CG 3.38Å; E892-E896 PolarHBondContact O-N 2.76Å |
| 893 | F | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 167.8 | -176 | -77.2 | 0 | 0 | 0 | 110.5 | P881 L884 C885 R889 F890 I897 M898 D919 P923 | P881-F893 HydrophobicContact CB-CE2 3.95Å; L884-F893 HydrophobicContact CB-CB 4.17Å; L884-F893 HydrophobicContact CB-CD2 4.23Å; C885-F893 HydrophobicContact CB-CD2 4.42Å; R889-F893 PolarHBondContact O-N 3.33Å; F890-F893 WeakPolarHBondContact O-CB 3.42Å; F890-F893 PolarHBondContact O-N 3.02Å; F893-I897 HydrophobicContact CD2-CD1 3.82Å; F893-I897 HydrophobicContact CE1-CG2 4.37Å; F893-I897 HydrophobicContact CE2-CD1 4.06Å; F893-I897 HydrophobicContact CG-CD1 4.34Å; F893-I897 HydrophobicContact CZ-CG2 4.19Å; F893-I897 WeakPolarHBondContact O-CB 3.27Å; F893-I897 PolarHBondContact O-N 2.8Å; F893-M898 HydrophobicContact CE1-CB 4.44Å; F893-M898 PolarHBondContact O-N 2.76Å; F893-D919 VanDerWaalsContact CZ-O 3.3Å; F893-D919 WeakPolarHBondContact CZ-O 3.48Å; F893-P923 HydrophobicContact CD1-CG 3.65Å; F893-P923 HydrophobicContact CD2-CG 4.45Å; F893-P923 HydrophobicContact CE1-CG 3.33Å; F893-P923 HydrophobicContact CE2-CG 4.16Å; F893-P923 HydrophobicContact CG-CG 4.23Å; F893-P923 HydrophobicContact CZ-CG 3.62Å |
| 894 | Y | 92.4 | Very high | 90.7 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 4% | 0.043 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -66.2 | -43.5 | 177.2 | -65.4 | -50.7 | 0 | 0 | 0 | 111.9 | F890 E891 E892 M898 F899 P999 A1002 Y1085 | F890-Y894 HydrophobicContact CB-CD2 4.47Å; F890-Y894 HydrophobicContact CB-CE2 4.03Å; F890-Y894 WeakPolarHBondContact O-CD2 3.38Å; F890-Y894 PolarHBondContact O-N 2.97Å; E891-Y894 PolarHBondContact O-N 3.32Å; E892-Y894 VanDerWaalsContact C-N 3.31Å; E892-Y894 PolarHBondContact O-N 2.92Å; Y894-M898 HydrophobicContact CD1-CB 4.28Å; Y894-M898 HydrophobicContact CD1-SD 3.87Å; Y894-M898 HydrophobicContact CE1-SD 3.96Å; Y894-M898 PolarHBondContact O-N 3.23Å; Y894-F899 HydrophobicContact CD1-CE2 4.24Å; Y894-F899 HydrophobicContact CG-CE2 4.35Å; Y894-F899 WeakPolarHBondContact O-CB 3.46Å; Y894-F899 VanDerWaalsContact O-CD2 3.24Å; Y894-F899 WeakPolarHBondContact O-CD2 3.4Å; Y894-F899 PolarHBondContact O-N 3.19Å; Y894-P999 HydrophobicContact CE1-CG 4.3Å; Y894-P999 HydrophobicContact CE2-CG 4.23Å; Y894-P999 VanDerWaalsContact CZ-CD 3.45Å; Y894-P999 WeakPolarHBondContact OH-CD 2.79Å; Y894-A1002 HydrophobicContact CD1-CB 4.39Å; Y894-A1002 HydrophobicContact CE1-CB 3.89Å; Y894-Y1085 HydrophobicContact CD2-CD1 4.38Å; Y894-Y1085 AromaticContact CD2-CE1 3.78Å; Y894-Y1085 HydrophobicContact CD2-CE1 3.78Å; Y894-Y1085 HydrophobicContact CE2-CE1 4.46Å; Y894-Y1085 HydrophobicContact CG-CE1 4.38Å |
| 895 | S | 91.3 | Very high | 90.3 | Very high | 33 Ų | 33 | 26.3 Ų | 26.3 | 23% | 0.231 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -73.9 | -41.5 | -178.4 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | E891 E892 | E891-S895 PolarHBondContact O-N 3.21Å; E892-S895 PolarHBondContact O-N 2.72Å |
| 896 | E | 92 | Very high | 90.2 | Very high | 69 Ų | 69 | 26.5 Ų | 26.5 | 32% | 0.322 | 13% | 0.13 | S | C | . | . | I | π-helix | trans | -93.5 | -20.6 | -170.5 | -57.4 | -49.7 | 115.7 | 0 | 0 | 114 | L820 E892 N900 F903 | L820-E896 HydrophobicContact CD2-CG 4.15Å; E892-E896 VanDerWaalsContact O-CB 3.26Å; E892-E896 WeakPolarHBondContact O-CB 3.28Å; E892-E896 WeakPolarHBondContact O-CG 3.38Å; E892-E896 PolarHBondContact O-N 2.76Å; E896-N900 VanDerWaalsContact O-CB 3.31Å; E896-N900 WeakPolarHBondContact O-CB 3.46Å; E896-N900 PolarHBondContact O-ND2 3.42Å; E896-F903 WeakPolarHBondContact O-CB 3.31Å |
| 897 | I | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -116.7 | -61.7 | -177.9 | -69.5 | 154.2 | 0 | 0 | 0 | 111 | L880 P881 L884 F893 F903 L920 | L880-I897 HydrophobicContact CG-CD1 4.48Å; P881-I897 VanDerWaalsContact CA-CD1 3.46Å; P881-I897 HydrophobicContact CB-CD1 3.79Å; P881-I897 HydrophobicContact CG-CD1 3.83Å; P881-I897 HydrophobicContact CG-CG1 4.38Å; L884-I897 HydrophobicContact CD1-CD1 3.83Å; F893-I897 HydrophobicContact CD2-CD1 3.82Å; F893-I897 HydrophobicContact CE1-CG2 4.37Å; F893-I897 HydrophobicContact CE2-CD1 4.06Å; F893-I897 HydrophobicContact CG-CD1 4.34Å; F893-I897 HydrophobicContact CZ-CG2 4.19Å; F893-I897 WeakPolarHBondContact O-CB 3.27Å; F893-I897 PolarHBondContact O-N 2.8Å; I897-F903 HydrophobicContact CB-CD1 4.18Å; I897-F903 HydrophobicContact CB-CE1 4.34Å; I897-F903 HydrophobicContact CB-CG 4.37Å; I897-F903 HydrophobicContact CG1-CD1 4.3Å; I897-F903 HydrophobicContact CG1-CD2 3.96Å; I897-F903 HydrophobicContact CG1-CE1 4.28Å; I897-F903 HydrophobicContact CG1-CE2 3.92Å; I897-F903 HydrophobicContact CG1-CG 4.18Å; I897-F903 HydrophobicContact CG1-CZ 4.09Å; I897-F903 HydrophobicContact CG2-CD1 3.8Å; I897-F903 HydrophobicContact CG2-CE1 3.64Å; I897-F903 HydrophobicContact CG2-CG 4.47Å; I897-F903 HydrophobicContact CG2-CZ 4.15Å; I897-L920 HydrophobicContact CG2-CD2 3.93Å |
| 898 | M | 87.8 | Confident | 89.6 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -78.5 | -37.4 | -165 | -163.8 | 168.2 | -145.6 | 0 | 0 | 113.8 | F893 Y894 L920 A1002 V1005 | F893-M898 HydrophobicContact CE1-CB 4.44Å; F893-M898 PolarHBondContact O-N 2.76Å; Y894-M898 HydrophobicContact CD1-CB 4.28Å; Y894-M898 HydrophobicContact CD1-SD 3.87Å; Y894-M898 HydrophobicContact CE1-SD 3.96Å; Y894-M898 PolarHBondContact O-N 3.23Å; M898-L920 HydrophobicContact CB-CD2 4.19Å; M898-L920 HydrophobicContact CE-CB 4.48Å; M898-L920 HydrophobicContact CE-CD2 4.24Å; M898-L920 HydrophobicContact CG-CD2 3.96Å; M898-A1002 HydrophobicContact CE-CB 3.88Å; M898-A1002 WeakPolarHBondContact CE-O 3.48Å; M898-A1002 HydrophobicContact SD-CB 3.4Å; M898-A1002 WeakPolarHBondContact SD-CB 3.39Å; M898-V1005 HydrophobicContact CE-CB 4.48Å; M898-V1005 HydrophobicContact CG-CB 4.34Å; M898-V1005 HydrophobicContact CG-CG1 4.14Å |
| 899 | F | 91.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 2% | 0.022 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 22.3 | 176.6 | -59.1 | -68.4 | 0 | 0 | 0 | 113 | Y894 E1001 V1005 L1088 L1089 L1092 | Y894-F899 HydrophobicContact CD1-CE2 4.24Å; Y894-F899 HydrophobicContact CG-CE2 4.35Å; Y894-F899 WeakPolarHBondContact O-CB 3.46Å; Y894-F899 VanDerWaalsContact O-CD2 3.24Å; Y894-F899 WeakPolarHBondContact O-CD2 3.4Å; Y894-F899 PolarHBondContact O-N 3.19Å; F899-E1001 HydrophobicContact CE1-CB 4.06Å; F899-E1001 HydrophobicContact CZ-CB 3.69Å; F899-V1005 HydrophobicContact CD1-CG2 3.99Å; F899-V1005 HydrophobicContact CE1-CG2 3.63Å; F899-L1088 HydrophobicContact CB-CB 3.86Å; F899-L1088 HydrophobicContact CD2-CB 3.71Å; F899-L1088 HydrophobicContact CD2-CD1 4.02Å; F899-L1088 HydrophobicContact CD2-CG 4.48Å; F899-L1088 HydrophobicContact CE2-CB 4.43Å; F899-L1088 HydrophobicContact CG-CB 3.78Å; F899-L1089 HydrophobicContact CD1-CB 4.29Å; F899-L1089 HydrophobicContact CD1-CD1 4.43Å; F899-L1089 HydrophobicContact CE1-CB 4.13Å; F899-L1089 HydrophobicContact CE1-CD1 4.3Å; F899-L1092 HydrophobicContact CB-CB 4.38Å; F899-L1092 HydrophobicContact CD1-CD2 4.24Å |
| 900 | N | 92 | Very high | 88.2 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.08 | 13% | 0.134 | C | C | . | . | trans | -113.1 | 108.2 | 179.1 | -178.4 | 0.8 | 0 | 0 | 0 | 111.3 | Y857 E896 E902 F903 L904 | Y857-N900 PolarHBondContact OH-ND2 3.03Å; Y857-N900 VanDerWaalsContact OH-ND2 3.14Å; E896-N900 VanDerWaalsContact O-CB 3.31Å; E896-N900 WeakPolarHBondContact O-CB 3.46Å; E896-N900 PolarHBondContact O-ND2 3.42Å; N900-E902 VanDerWaalsContact C-N 3.25Å; N900-E902 PolarHBondContact O-N 3.32Å; N900-E902 PolarHBondContact OD1-N 3.11Å; N900-F903 HydrophobicContact CB-CB 4.1Å; N900-F903 PolarHBondContact O-N 3.49Å; N900-F903 PolarHBondContact OD1-N 3.11Å; N900-L904 WeakPolarHBondContact O-CG 3.49Å; N900-L904 PolarHBondContact O-N 2.87Å; N900-L904 VanDerWaalsContact O-N 3.12Å | ||
| 901 | Y | 87.9 | Confident | 87.4 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.4 | -37.7 | 177.7 | 178.9 | -91.5 | 0 | 0 | 0 | 112.4 | L904 Y905 L1023 P1024 I1027 S1096 L1099 Q1103 | Y901-L904 PolarHBondContact O-N 3.33Å; Y901-Y905 HydrophobicContact CE1-CD1 4.46Å; Y901-Y905 HydrophobicContact CE1-CD2 4.43Å; Y901-Y905 HydrophobicContact CE1-CG 4.01Å; Y901-Y905 WeakPolarHBondContact O-CB 3.34Å; Y901-Y905 PolarHBondContact O-N 3.27Å; Y901-L1023 HydrophobicContact CD2-CD2 4.13Å; Y901-L1023 HydrophobicContact CE2-CB 4.38Å; Y901-L1023 HydrophobicContact CE2-CD2 3.82Å; Y901-L1023 HydrophobicContact CE2-CG 4.07Å; Y901-P1024 HydrophobicContact CE2-CG 3.89Å; Y901-P1024 WeakPolarHBondContact OH-CD 3.32Å; Y901-P1024 VanDerWaalsContact OH-CG 3.23Å; Y901-P1024 WeakPolarHBondContact OH-CG 3.24Å; Y901-I1027 HydrophobicContact CD2-CD1 4.39Å; Y901-S1096 WeakPolarHBondContact CD2-OG 3.42Å; Y901-L1099 HydrophobicContact CD1-CB 3.91Å; Y901-L1099 HydrophobicContact CD1-CD1 3.44Å; Y901-L1099 VanDerWaalsContact CD1-CD1 3.44Å; Y901-L1099 HydrophobicContact CD1-CG 4.3Å; Y901-L1099 HydrophobicContact CE1-CB 3.68Å; Y901-L1099 HydrophobicContact CE1-CD1 4.02Å; Y901-L1099 HydrophobicContact CG-CD1 4.31Å; Y901-Q1103 PolarHBondContact OH-OE1 2.76Å |
| 902 | E | 89 | Confident | 86.4 | Confident | 97 Ų | 97 | 26.6 Ų | 26.6 | 45% | 0.453 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -71 | -33.9 | -175.4 | -168 | 174.4 | 168.7 | 0 | 0 | 112 | Y857 N900 N906 | Y857-E902 HydrophobicContact CD2-CG 3.83Å; Y857-E902 HydrophobicContact CE2-CB 4.4Å; Y857-E902 HydrophobicContact CE2-CG 4.03Å; N900-E902 VanDerWaalsContact C-N 3.25Å; N900-E902 PolarHBondContact O-N 3.32Å; N900-E902 PolarHBondContact OD1-N 3.11Å; E902-N906 WeakPolarHBondContact CG-ND2 3.4Å; E902-N906 WeakPolarHBondContact O-CB 3.48Å; E902-N906 PolarHBondContact O-N 2.91Å; E902-N906 PolarHBondContact O-ND2 3.1Å |
| 903 | F | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -56.6 | 168.7 | -178.8 | -84.4 | 0 | 0 | 0 | 110.6 | Y857 L877 P881 E896 I897 N900 Y905 N906 K907 L916 | Y857-F903 AromaticContact CE1-CD2 3.96Å; Y857-F903 HydrophobicContact CE1-CD2 3.96Å; L877-F903 HydrophobicContact CD2-CD2 4.02Å; L877-F903 HydrophobicContact CD2-CE2 3.87Å; L877-F903 HydrophobicContact CD2-CZ 4.42Å; P881-F903 HydrophobicContact CG-CE2 4.24Å; P881-F903 HydrophobicContact CG-CZ 3.72Å; E896-F903 WeakPolarHBondContact O-CB 3.31Å; I897-F903 HydrophobicContact CB-CD1 4.18Å; I897-F903 HydrophobicContact CB-CE1 4.34Å; I897-F903 HydrophobicContact CB-CG 4.37Å; I897-F903 HydrophobicContact CG1-CD1 4.3Å; I897-F903 HydrophobicContact CG1-CD2 3.96Å; I897-F903 HydrophobicContact CG1-CE1 4.28Å; I897-F903 HydrophobicContact CG1-CE2 3.92Å; I897-F903 HydrophobicContact CG1-CG 4.18Å; I897-F903 HydrophobicContact CG1-CZ 4.09Å; I897-F903 HydrophobicContact CG2-CD1 3.8Å; I897-F903 HydrophobicContact CG2-CE1 3.64Å; I897-F903 HydrophobicContact CG2-CG 4.47Å; I897-F903 HydrophobicContact CG2-CZ 4.15Å; N900-F903 HydrophobicContact CB-CB 4.1Å; N900-F903 PolarHBondContact O-N 3.49Å; N900-F903 PolarHBondContact OD1-N 3.11Å; F903-Y905 VanDerWaalsContact C-N 3.31Å; F903-Y905 PolarHBondContact O-N 2.94Å; F903-N906 PolarHBondContact O-N 3.27Å; F903-K907 HydrophobicContact CD1-CB 4.32Å; F903-K907 HydrophobicContact CE1-CB 3.93Å; F903-K907 HydrophobicContact CE1-CD 4.34Å; F903-K907 HydrophobicContact CE1-CG 4.04Å; F903-K907 HydrophobicContact CZ-CB 4.34Å; F903-K907 HydrophobicContact CZ-CD 4.11Å; F903-K907 HydrophobicContact CZ-CG 4.32Å; F903-K907 WeakPolarHBondContact O-CB 3.1Å; F903-K907 PolarHBondContact O-N 3.35Å; F903-L916 HydrophobicContact CE1-CD1 4.21Å |
| 904 | L | 89.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | -175.3 | -64.5 | 174 | 0 | 0 | 0 | 112 | N900 Y901 L908 L916 L920 I1009 L1023 I1027 L1092 | N900-L904 WeakPolarHBondContact O-CG 3.49Å; N900-L904 PolarHBondContact O-N 2.87Å; N900-L904 VanDerWaalsContact O-N 3.12Å; Y901-L904 PolarHBondContact O-N 3.33Å; L904-L908 WeakPolarHBondContact O-CG 3.29Å; L904-L908 PolarHBondContact O-N 2.87Å; L904-L908 VanDerWaalsContact O-N 3.09Å; L904-L916 HydrophobicContact CD2-CD1 3.79Å; L904-L916 HydrophobicContact CD2-CD2 4.18Å; L904-L920 HydrophobicContact CD2-CD1 4.3Å; L904-L920 HydrophobicContact CD2-CD2 4.44Å; L904-I1009 HydrophobicContact CD1-CD1 4.34Å; L904-I1009 HydrophobicContact CD2-CD1 3.97Å; L904-L1023 HydrophobicContact CB-CD2 3.92Å; L904-I1027 HydrophobicContact CD1-CD1 4.24Å; L904-L1092 HydrophobicContact CD1-CD1 4.17Å |
| 905 | Y | 87.1 | Confident | 82.8 | Confident | 34 Ų | 34 | 29.8 Ų | 29.8 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.5 | -46.9 | 179.1 | -179.6 | -110.4 | 0 | 0 | 0 | 112.7 | Y901 F903 L908 R909 Q1103 | Y901-Y905 HydrophobicContact CE1-CD1 4.46Å; Y901-Y905 HydrophobicContact CE1-CD2 4.43Å; Y901-Y905 HydrophobicContact CE1-CG 4.01Å; Y901-Y905 WeakPolarHBondContact O-CB 3.34Å; Y901-Y905 PolarHBondContact O-N 3.27Å; F903-Y905 VanDerWaalsContact C-N 3.31Å; F903-Y905 PolarHBondContact O-N 2.94Å; Y905-L908 PolarHBondContact O-N 2.88Å; Y905-R909 VanDerWaalsContact CZ-CD 3.48Å; Y905-R909 VanDerWaalsContact O-CG 3.29Å; Y905-R909 WeakPolarHBondContact O-CG 3.37Å; Y905-R909 PolarHBondContact O-N 2.96Å; Y905-Q1103 VanDerWaalsContact CE1-NE2 3.31Å; Y905-Q1103 VanDerWaalsContact CZ-NE2 3.3Å; Y905-Q1103 PolarHBondContact OH-NE2 3.12Å |
| 906 | N | 88.1 | Confident | 82.3 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74 | -28.5 | 179.6 | -70.1 | -50.2 | 0 | 0 | 0 | 112.5 | L872 L877 E902 F903 R909 G910 | L872-N906 HydrophobicContact CD2-CB 4.18Å; L877-N906 HydrophobicContact CD1-CB 4.48Å; L877-N906 HydrophobicContact CD2-CB 4.41Å; E902-N906 WeakPolarHBondContact CG-ND2 3.4Å; E902-N906 WeakPolarHBondContact O-CB 3.48Å; E902-N906 PolarHBondContact O-N 2.91Å; E902-N906 PolarHBondContact O-ND2 3.1Å; F903-N906 PolarHBondContact O-N 3.27Å; N906-R909 PolarHBondContact O-N 3.28Å; N906-R909 PolarHBondContact OD1-NH1 3.39Å; N906-G910 PolarHBondContact O-N 2.84Å |
| 907 | K | 88.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 170.9 | -174.7 | 68.7 | 174.3 | -166.3 | 0 | 111.4 | L877 N878 F903 R909 G910 T911 L916 D919 | L877-K907 HydrophobicContact CB-CD 4.06Å; L877-K907 HydrophobicContact CD2-CB 4.3Å; L877-K907 PolarHBondContact O-NZ 3.32Å; N878-K907 PolarHBondContact OD1-NZ 2.85Å; F903-K907 HydrophobicContact CD1-CB 4.32Å; F903-K907 HydrophobicContact CE1-CB 3.93Å; F903-K907 HydrophobicContact CE1-CD 4.34Å; F903-K907 HydrophobicContact CE1-CG 4.04Å; F903-K907 HydrophobicContact CZ-CB 4.34Å; F903-K907 HydrophobicContact CZ-CD 4.11Å; F903-K907 HydrophobicContact CZ-CG 4.32Å; F903-K907 WeakPolarHBondContact O-CB 3.1Å; F903-K907 PolarHBondContact O-N 3.35Å; K907-R909 PolarHBondContact O-N 3.21Å; K907-G910 PolarHBondContact O-N 2.85Å; K907-T911 HydrophobicContact CD-CG2 4.39Å; K907-T911 VanDerWaalsContact CD-OG1 3.27Å; K907-T911 WeakPolarHBondContact CD-OG1 3.43Å; K907-T911 VanDerWaalsContact CE-OG1 3.25Å; K907-T911 WeakPolarHBondContact CE-OG1 3.13Å; K907-T911 PolarHBondContact O-N 3.27Å; K907-T911 PolarHBondContact O-OG1 2.94Å; K907-L916 HydrophobicContact CB-CD1 4.41Å; K907-L916 HydrophobicContact CG-CB 3.99Å; K907-L916 HydrophobicContact CG-CD1 3.87Å; K907-L916 HydrophobicContact CG-CG 4.39Å; K907-D919 WeakPolarHBondContact CE-OD2 3.36Å; K907-D919 IonicContact NZ-OD2 2.87Å; K907-D919 PolarHBondContact NZ-OD2 3.1Å |
| 908 | L | 79.8 | Confident | 80.8 | Confident | 12 Ų | 12 | 29.9 Ų | 29.9 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -18.2 | 175.3 | -72.6 | 169.2 | 0 | 0 | 0 | 114.1 | L904 Y905 T911 R913 L916 L1016 P1020 L1023 | L904-L908 WeakPolarHBondContact O-CG 3.29Å; L904-L908 PolarHBondContact O-N 2.87Å; L904-L908 VanDerWaalsContact O-N 3.09Å; Y905-L908 PolarHBondContact O-N 2.88Å; L908-T911 CarbonylContact C-O 3.14Å; L908-R913 HydrophobicContact CD2-CB 4.06Å; L908-L916 HydrophobicContact CD1-CD2 4.1Å; L908-L916 HydrophobicContact CD2-CD2 3.83Å; L908-L916 HydrophobicContact CG-CD2 3.73Å; L908-L1016 HydrophobicContact CD1-CB 4.4Å; L908-L1016 HydrophobicContact CD1-CD1 3.97Å; L908-L1016 HydrophobicContact CD1-CD2 4.15Å; L908-L1016 HydrophobicContact CD1-CG 4.41Å; L908-P1020 HydrophobicContact CB-CB 3.99Å; L908-P1020 HydrophobicContact CB-CG 4.28Å; L908-P1020 VanDerWaalsContact O-CG 3.3Å; L908-P1020 WeakPolarHBondContact O-CG 3.37Å; L908-L1023 HydrophobicContact CD1-CD1 3.9Å; L908-L1023 HydrophobicContact CD1-CD2 4.21Å; L908-L1023 HydrophobicContact CD1-CG 4.48Å |
| 909 | R | 78.3 | Confident | 80.7 | Confident | 86 Ų | 86 | 29.8 Ų | 29.8 | 33% | 0.325 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -88.1 | -20.6 | 174 | -72.1 | 174.4 | 66 | -141 | 3.5 | 114.1 | L872 Y905 N906 K907 P1020 | L872-R909 HydrophobicContact CD1-CB 4.17Å; Y905-R909 VanDerWaalsContact CZ-CD 3.48Å; Y905-R909 VanDerWaalsContact O-CG 3.29Å; Y905-R909 WeakPolarHBondContact O-CG 3.37Å; Y905-R909 PolarHBondContact O-N 2.96Å; N906-R909 PolarHBondContact O-N 3.28Å; N906-R909 PolarHBondContact OD1-NH1 3.39Å; K907-R909 PolarHBondContact O-N 3.21Å; R909-P1020 HydrophobicContact CG-CB 4Å; R909-P1020 HydrophobicContact CG-CG 4.42Å |
| 910 | G | 71.9 | Confident | 80.5 | Confident | 26 Ų | 26 | 29.6 Ų | 29.6 | 27% | 0.268 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -109.4 | -13.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N906 K907 | N906-G910 PolarHBondContact O-N 2.84Å; K907-G910 PolarHBondContact O-N 2.85Å |
| 911 | T | 71.9 | Confident | 80 | Confident | 29 Ų | 29 | 31.6 Ų | 31.6 | 18% | 0.178 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -150.8 | 161.9 | -176.6 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | N878 K907 L908 Q915 | N878-T911 WeakPolarHBondContact OD1-CG2 3.29Å; K907-T911 HydrophobicContact CD-CG2 4.39Å; K907-T911 VanDerWaalsContact CD-OG1 3.27Å; K907-T911 WeakPolarHBondContact CD-OG1 3.43Å; K907-T911 VanDerWaalsContact CE-OG1 3.25Å; K907-T911 WeakPolarHBondContact CE-OG1 3.13Å; K907-T911 PolarHBondContact O-N 3.27Å; K907-T911 PolarHBondContact O-OG1 2.94Å; L908-T911 CarbonylContact C-O 3.14Å; T911-Q915 HydrophobicContact CG2-CG 4.32Å |
| 912 | S | 64.9 | Low | 80 | Confident | 64 Ų | 64 | 31.9 Ų | 31.9 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | trans | -68.4 | 159.9 | 178.6 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | S914 Q915 L916 | S912-S914 PolarHBondContact O-N 2.91Å; S912-Q915 PolarHBondContact O-N 3.43Å; S912-Q915 VanDerWaalsContact O-N 3.1Å; S912-Q915 PolarHBondContact OG-N 2.93Å; S912-L916 PolarHBondContact O-N 3.16Å | ||
| 913 | R | 68.6 | Low | 79.8 | Confident | 42 Ų | 42 | 27.5 Ų | 27.5 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.2 | -36.2 | 170.9 | 179.5 | -178.1 | 51.8 | 92.2 | 14.4 | 112 | L908 Q915 L916 L917 I1009 R1010 D1017 | L908-R913 HydrophobicContact CD2-CB 4.06Å; R913-Q915 PolarHBondContact O-N 3.24Å; R913-L916 PolarHBondContact O-N 3.1Å; R913-L917 HydrophobicContact CG-CD1 3.94Å; R913-L917 HydrophobicContact CG-CG 4.32Å; R913-L917 WeakPolarHBondContact O-CG 3.46Å; R913-L917 PolarHBondContact O-N 3.08Å; R913-I1009 HydrophobicContact CG-CG2 4.27Å; R913-R1010 PolarHBondContact NH1-O 3.38Å; R913-D1017 WeakPolarHBondContact CB-OD1 3.3Å; R913-D1017 IonicContact CZ-OD2 2.69Å; R913-D1017 VanDerWaalsContact CZ-OD2 3.24Å; R913-D1017 PolarHBondContact N-OD1 3.49Å; R913-D1017 IonicContact NE-OD1 3.35Å; R913-D1017 IonicContact NE-OD2 3.4Å; R913-D1017 PolarHBondContact NE-OD2 3.37Å; R913-D1017 IonicContact NH2-OD2 3.75Å; R913-D1017 PolarHBondContact NH2-OD2 3.11Å |
| 914 | S | 59.7 | Low | 79.1 | Confident | 65 Ų | 65 | 28.5 Ų | 28.5 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.5 | -53 | 0 | 0 | 0 | 0 | 112.2 | S912 L917 I918 | S912-S914 PolarHBondContact O-N 2.91Å; S914-L917 PolarHBondContact O-N 3.31Å; S914-I918 WeakPolarHBondContact O-CG1 3.34Å; S914-I918 PolarHBondContact O-N 2.89Å |
| 915 | Q | 72 | Confident | 78.4 | Confident | 36 Ų | 36 | 32 Ų | 32 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.3 | -172.5 | 61.4 | 54.8 | 0 | 0 | 112.1 | T911 S912 R913 D919 | T911-Q915 HydrophobicContact CG2-CG 4.32Å; S912-Q915 PolarHBondContact O-N 3.43Å; S912-Q915 VanDerWaalsContact O-N 3.1Å; S912-Q915 PolarHBondContact OG-N 2.93Å; R913-Q915 PolarHBondContact O-N 3.24Å; Q915-D919 PolarHBondContact NE2-OD1 2.93Å; Q915-D919 VanDerWaalsContact O-CG 3.31Å; Q915-D919 PolarHBondContact O-N 2.82Å; Q915-D919 VanDerWaalsContact O-N 3.12Å |
| 916 | L | 82.2 | Confident | 78 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 172.5 | 173 | 60.9 | 0 | 0 | 0 | 111.7 | F903 L904 K907 L908 S912 R913 D919 L920 I1009 | F903-L916 HydrophobicContact CE1-CD1 4.21Å; L904-L916 HydrophobicContact CD2-CD1 3.79Å; L904-L916 HydrophobicContact CD2-CD2 4.18Å; K907-L916 HydrophobicContact CB-CD1 4.41Å; K907-L916 HydrophobicContact CG-CB 3.99Å; K907-L916 HydrophobicContact CG-CD1 3.87Å; K907-L916 HydrophobicContact CG-CG 4.39Å; L908-L916 HydrophobicContact CD1-CD2 4.1Å; L908-L916 HydrophobicContact CD2-CD2 3.83Å; L908-L916 HydrophobicContact CG-CD2 3.73Å; S912-L916 PolarHBondContact O-N 3.16Å; R913-L916 PolarHBondContact O-N 3.1Å; L916-D919 PolarHBondContact O-N 3.42Å; L916-L920 HydrophobicContact CD1-CD1 3.82Å; L916-L920 HydrophobicContact CD1-CD2 4.37Å; L916-L920 HydrophobicContact CD1-CG 3.78Å; L916-L920 HydrophobicContact CG-CD1 3.95Å; L916-L920 HydrophobicContact CG-CG 4.29Å; L916-L920 WeakPolarHBondContact O-CB 3.44Å; L916-L920 VanDerWaalsContact O-CG 3.29Å; L916-L920 WeakPolarHBondContact O-CG 3.35Å; L916-L920 PolarHBondContact O-N 3.42Å; L916-I1009 HydrophobicContact CD2-CD1 4.28Å; L916-I1009 HydrophobicContact CD2-CG2 3.96Å; L916-I1009 HydrophobicContact CG-CG2 4.49Å |
| 917 | L | 75.3 | Confident | 77.5 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 179.5 | -73.9 | 169.5 | 0 | 0 | 0 | 112.4 | R913 S914 L920 Q921 Y1006 I1009 R1010 | R913-L917 HydrophobicContact CG-CD1 3.94Å; R913-L917 HydrophobicContact CG-CG 4.32Å; R913-L917 WeakPolarHBondContact O-CG 3.46Å; R913-L917 PolarHBondContact O-N 3.08Å; S914-L917 PolarHBondContact O-N 3.31Å; L917-L920 PolarHBondContact O-N 3.4Å; L917-Q921 WeakPolarHBondContact O-CB 3.09Å; L917-Q921 PolarHBondContact O-N 3.36Å; L917-Y1006 HydrophobicContact CD2-CD2 4.17Å; L917-Y1006 HydrophobicContact CD2-CE2 4.02Å; L917-I1009 HydrophobicContact CD2-CB 4.34Å; L917-I1009 HydrophobicContact CD2-CG2 3.97Å; L917-I1009 HydrophobicContact CG-CG2 4.37Å; L917-R1010 HydrophobicContact CD1-CB 4.47Å; L917-R1010 HydrophobicContact CD1-CG 4.45Å; L917-R1010 HydrophobicContact CD2-CB 3.94Å |
| 918 | I | 76.7 | Confident | 76.5 | Confident | 85 Ų | 85 | 36.5 Ų | 36.5 | 44% | 0.436 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.8 | -50.7 | 172.7 | -69.1 | 163.4 | 0 | 0 | 0 | 109.9 | S914 L920 Q921 L922 | S914-I918 WeakPolarHBondContact O-CG1 3.34Å; S914-I918 PolarHBondContact O-N 2.89Å; I918-L920 VanDerWaalsContact C-N 3.33Å; I918-L920 PolarHBondContact O-N 3.19Å; I918-Q921 WeakPolarHBondContact O-CB 3.46Å; I918-Q921 PolarHBondContact O-N 3.21Å; I918-Q921 VanDerWaalsContact O-N 3.09Å; I918-L922 PolarHBondContact O-N 2.71Å |
| 919 | D | 86.9 | Confident | 76.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -32.4 | -177.3 | -68 | -15.9 | 0 | 0 | 0 | 112.7 | R726 P881 F893 K907 Q915 L916 Q921 L922 | R726-D919 IonicContact CZ-OD1 2.7Å; R726-D919 VanDerWaalsContact CZ-OD1 3.22Å; R726-D919 IonicContact NH1-OD1 2.71Å; R726-D919 PolarHBondContact NH1-OD1 2.94Å; R726-D919 IonicContact NH1-OD2 2.66Å; R726-D919 IonicContact NH2-OD1 3.81Å; R726-D919 PolarHBondContact NH2-OD1 3.44Å; P881-D919 HydrophobicContact CB-CB 3.97Å; P881-D919 HydrophobicContact CG-CB 4.2Å; F893-D919 VanDerWaalsContact CZ-O 3.3Å; F893-D919 WeakPolarHBondContact CZ-O 3.48Å; K907-D919 WeakPolarHBondContact CE-OD2 3.36Å; K907-D919 IonicContact NZ-OD2 2.87Å; K907-D919 PolarHBondContact NZ-OD2 3.1Å; Q915-D919 PolarHBondContact NE2-OD1 2.93Å; Q915-D919 VanDerWaalsContact O-CG 3.31Å; Q915-D919 PolarHBondContact O-N 2.82Å; Q915-D919 VanDerWaalsContact O-N 3.12Å; L916-D919 PolarHBondContact O-N 3.42Å; D919-Q921 VanDerWaalsContact C-N 3.33Å; D919-L922 WeakPolarHBondContact O-CD1 3.35Å; D919-L922 WeakPolarHBondContact O-CG 3.47Å |
| 920 | L | 85.7 | Confident | 76 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.2 | -18.1 | 173 | -72.3 | -179.5 | 0 | 0 | 0 | 114 | I897 M898 L904 L916 L917 I918 P923 Y1006 I1009 | I897-L920 HydrophobicContact CG2-CD2 3.93Å; M898-L920 HydrophobicContact CB-CD2 4.19Å; M898-L920 HydrophobicContact CE-CB 4.48Å; M898-L920 HydrophobicContact CE-CD2 4.24Å; M898-L920 HydrophobicContact CG-CD2 3.96Å; L904-L920 HydrophobicContact CD2-CD1 4.3Å; L904-L920 HydrophobicContact CD2-CD2 4.44Å; L916-L920 HydrophobicContact CD1-CD1 3.82Å; L916-L920 HydrophobicContact CD1-CD2 4.37Å; L916-L920 HydrophobicContact CD1-CG 3.78Å; L916-L920 HydrophobicContact CG-CD1 3.95Å; L916-L920 HydrophobicContact CG-CG 4.29Å; L916-L920 WeakPolarHBondContact O-CB 3.44Å; L916-L920 VanDerWaalsContact O-CG 3.29Å; L916-L920 WeakPolarHBondContact O-CG 3.35Å; L916-L920 PolarHBondContact O-N 3.42Å; L917-L920 PolarHBondContact O-N 3.4Å; I918-L920 VanDerWaalsContact C-N 3.33Å; I918-L920 PolarHBondContact O-N 3.19Å; L920-P923 WeakPolarHBondContact O-CD 3.39Å; L920-Y1006 HydrophobicContact CB-CD2 4.13Å; L920-I1009 HydrophobicContact CD1-CD1 3.57Å |
| 921 | Q | 83.2 | Confident | 75.8 | Confident | 56 Ų | 56 | 37.3 Ų | 37.3 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -83.2 | -20 | 179.9 | -165.6 | 163.2 | -67.1 | 0 | 0 | 112.7 | L917 I918 D919 P923 I924 E925 Y1006 | L917-Q921 WeakPolarHBondContact O-CB 3.09Å; L917-Q921 PolarHBondContact O-N 3.36Å; I918-Q921 WeakPolarHBondContact O-CB 3.46Å; I918-Q921 PolarHBondContact O-N 3.21Å; I918-Q921 VanDerWaalsContact O-N 3.09Å; D919-Q921 VanDerWaalsContact C-N 3.33Å; Q921-P923 VanDerWaalsContact C-CD 3.46Å; Q921-P923 VanDerWaalsContact O-N 3.17Å; Q921-I924 WeakPolarHBondContact O-CA 3.23Å; Q921-I924 WeakPolarHBondContact O-CB 3.21Å; Q921-I924 PolarHBondContact O-N 2.76Å; Q921-E925 HydrophobicContact CG-CG 4.16Å; Q921-E925 WeakPolarHBondContact CG-OE1 3.42Å; Q921-E925 PolarHBondContact NE2-OE1 3.18Å; Q921-E925 PolarHBondContact O-N 3.44Å; Q921-Y1006 HydrophobicContact CB-CE2 4.15Å; Q921-Y1006 HydrophobicContact CG-CE2 4.48Å; Q921-Y1006 PolarHBondContact OE1-OH 3.23Å |
| 922 | L | 87.7 | Confident | 75.5 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -48.7 | -42.2 | -176.7 | -63.3 | 173.4 | 0 | 0 | 0 | 115.1 | P881 W882 C885 I918 D919 I924 A926 | P881-L922 HydrophobicContact CB-CD1 4.29Å; W882-L922 HydrophobicContact CE3-CD1 4.17Å; W882-L922 HydrophobicContact CE3-CD2 3.86Å; W882-L922 HydrophobicContact CZ3-CD2 3.87Å; C885-L922 HydrophobicContact CB-CB 4.11Å; I918-L922 PolarHBondContact O-N 2.71Å; D919-L922 WeakPolarHBondContact O-CD1 3.35Å; D919-L922 WeakPolarHBondContact O-CG 3.47Å; L922-I924 VanDerWaalsContact C-N 3.33Å; L922-I924 PolarHBondContact O-N 3.11Å; L922-A926 VanDerWaalsContact O-CB 3.26Å; L922-A926 WeakPolarHBondContact O-CB 3.48Å; L922-A926 PolarHBondContact O-N 2.69Å |
| 923 | P | 84.3 | Confident | 75.7 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.2 | -27.1 | 177.6 | -17 | 32 | 0 | 0 | 0 | 113.6 | F890 F893 L920 Q921 Y927 | F890-P923 HydrophobicContact CD1-CB 4.14Å; F890-P923 HydrophobicContact CE1-CB 4.13Å; F893-P923 HydrophobicContact CD1-CG 3.65Å; F893-P923 HydrophobicContact CD2-CG 4.45Å; F893-P923 HydrophobicContact CE1-CG 3.33Å; F893-P923 HydrophobicContact CE2-CG 4.16Å; F893-P923 HydrophobicContact CG-CG 4.23Å; F893-P923 HydrophobicContact CZ-CG 3.62Å; L920-P923 WeakPolarHBondContact O-CD 3.39Å; Q921-P923 VanDerWaalsContact C-CD 3.46Å; Q921-P923 VanDerWaalsContact O-N 3.17Å; P923-Y927 WeakPolarHBondContact O-CB 3.43Å; P923-Y927 PolarHBondContact O-N 2.84Å; P923-Y927 VanDerWaalsContact O-N 3.1Å |
| 924 | I | 78.2 | Confident | 75.6 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.8 | -42.5 | 179.2 | -55.8 | 168.5 | 0 | 0 | 0 | 109.2 | Q921 L922 Y927 R928 P998 F1003 | Q921-I924 WeakPolarHBondContact O-CA 3.23Å; Q921-I924 WeakPolarHBondContact O-CB 3.21Å; Q921-I924 PolarHBondContact O-N 2.76Å; L922-I924 VanDerWaalsContact C-N 3.33Å; L922-I924 PolarHBondContact O-N 3.11Å; I924-Y927 PolarHBondContact O-N 3.18Å; I924-R928 WeakPolarHBondContact O-CG 3.47Å; I924-R928 PolarHBondContact O-N 2.91Å; I924-P998 HydrophobicContact CG1-CG 4.45Å; I924-F1003 HydrophobicContact CD1-CD1 4.03Å; I924-F1003 HydrophobicContact CD1-CE1 3.68Å; I924-F1003 HydrophobicContact CD1-CZ 4.46Å; I924-F1003 HydrophobicContact CG1-CE1 3.94Å; I924-F1003 HydrophobicContact CG1-CZ 4.27Å; I924-F1003 HydrophobicContact CG2-CE1 4.12Å; I924-F1003 HydrophobicContact CG2-CZ 4.45Å |
| 925 | E | 74.6 | Confident | 75.6 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 171.9 | -76.9 | 166.6 | -172.1 | 0 | 0 | 111.7 | Q921 Y927 R928 T929 | Q921-E925 HydrophobicContact CG-CG 4.16Å; Q921-E925 WeakPolarHBondContact CG-OE1 3.42Å; Q921-E925 PolarHBondContact NE2-OE1 3.18Å; Q921-E925 PolarHBondContact O-N 3.44Å; E925-Y927 VanDerWaalsContact C-N 3.25Å; E925-Y927 PolarHBondContact O-N 3.08Å; E925-R928 WeakPolarHBondContact O-CB 3.43Å; E925-R928 PolarHBondContact O-N 3.12Å; E925-R928 VanDerWaalsContact O-N 3.08Å; E925-T929 PolarHBondContact O-N 3.04Å; E925-T929 PolarHBondContact O-OG1 2.8Å |
| 926 | A | 79 | Confident | 75 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | F890 L922 F930 Y994 | F890-A926 HydrophobicContact CE1-CB 4.48Å; F890-A926 HydrophobicContact CZ-CB 4.3Å; L922-A926 VanDerWaalsContact O-CB 3.26Å; L922-A926 WeakPolarHBondContact O-CB 3.48Å; L922-A926 PolarHBondContact O-N 2.69Å; A926-F930 WeakPolarHBondContact O-CB 3.42Å; A926-F930 PolarHBondContact O-N 2.83Å; A926-F930 VanDerWaalsContact O-N 3.14Å; A926-Y994 HydrophobicContact CB-CD1 4.13Å; A926-Y994 HydrophobicContact CB-CE1 4Å |
| 927 | Y | 77.2 | Confident | 74 | Confident | 29 Ų | 29 | 49 Ų | 49 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.1 | -43.9 | 174 | -174.4 | -104.8 | 0 | 0 | 0 | 112.3 | P923 I924 E925 F930 Q931 L961 Y994 R996 T997 P998 | P923-Y927 WeakPolarHBondContact O-CB 3.43Å; P923-Y927 PolarHBondContact O-N 2.84Å; P923-Y927 VanDerWaalsContact O-N 3.1Å; I924-Y927 PolarHBondContact O-N 3.18Å; E925-Y927 VanDerWaalsContact C-N 3.25Å; E925-Y927 PolarHBondContact O-N 3.08Å; Y927-F930 PolarHBondContact O-N 3.38Å; Y927-Q931 HydrophobicContact CD1-CG 4.29Å; Y927-Q931 HydrophobicContact CE1-CG 3.82Å; Y927-Q931 VanDerWaalsContact CE1-OE1 3.31Å; Y927-Q931 HydrophobicContact CE2-CG 4.42Å; Y927-Q931 WeakPolarHBondContact O-CG 3.47Å; Y927-Q931 PolarHBondContact O-N 3.36Å; Y927-Q931 PolarHBondContact OH-NE2 2.99Å; Y927-L961 HydrophobicContact CD1-CD2 4.16Å; Y927-L961 HydrophobicContact CE1-CD2 4.11Å; Y927-Y994 WeakPolarHBondContact CD2-O 3.28Å; Y927-R996 WeakPolarHBondContact CD2-O 3.22Å; Y927-T997 HydrophobicContact CE1-CG2 4.03Å; Y927-T997 HydrophobicContact CE2-CG2 4.16Å; Y927-T997 VanDerWaalsContact OH-CG2 3.24Å; Y927-T997 WeakPolarHBondContact OH-CG2 3.37Å; Y927-P998 HydrophobicContact CG-CG 4.33Å |
| 928 | R | 68.1 | Low | 73.2 | Confident | 88 Ų | 88 | 50.2 Ų | 50.2 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 175.3 | -76.4 | 170.2 | 166.2 | -160.6 | -9.3 | 111.9 | I924 E925 F930 Q931 I932 L961 | I924-R928 WeakPolarHBondContact O-CG 3.47Å; I924-R928 PolarHBondContact O-N 2.91Å; E925-R928 WeakPolarHBondContact O-CB 3.43Å; E925-R928 PolarHBondContact O-N 3.12Å; E925-R928 VanDerWaalsContact O-N 3.08Å; R928-F930 VanDerWaalsContact C-N 3.31Å; R928-F930 PolarHBondContact O-N 3.13Å; R928-Q931 PolarHBondContact O-N 3.21Å; R928-I932 WeakPolarHBondContact O-CG1 3.37Å; R928-I932 PolarHBondContact O-N 3.29Å; R928-L961 HydrophobicContact CG-CD1 3.83Å |
| 929 | T | 72.7 | Confident | 71.9 | Confident | 73 Ų | 73 | 46.8 Ų | 46.8 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -44 | 176.9 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | E925 Q931 I932 E933 | E925-T929 PolarHBondContact O-N 3.04Å; E925-T929 PolarHBondContact O-OG1 2.8Å; T929-Q931 PolarHBondContact O-N 3.39Å; T929-I932 PolarHBondContact O-N 2.79Å; T929-E933 WeakPolarHBondContact O-CG 3.01Å; T929-E933 PolarHBondContact O-N 2.91Å |
| 930 | F | 75.2 | Confident | 70 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 17% | 0.167 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.9 | 178.6 | -97.9 | 0 | 0 | 0 | 113.1 | A926 Y927 R928 E933 Q934 Y994 S995 | A926-F930 WeakPolarHBondContact O-CB 3.42Å; A926-F930 PolarHBondContact O-N 2.83Å; A926-F930 VanDerWaalsContact O-N 3.14Å; Y927-F930 PolarHBondContact O-N 3.38Å; R928-F930 VanDerWaalsContact C-N 3.31Å; R928-F930 PolarHBondContact O-N 3.13Å; F930-E933 PolarHBondContact O-N 3.35Å; F930-Q934 HydrophobicContact CD1-CG 4.21Å; F930-Q934 HydrophobicContact CE1-CG 3.65Å; F930-Q934 VanDerWaalsContact CE1-OE1 3.27Å; F930-Q934 HydrophobicContact CE2-CG 4.13Å; F930-Q934 VanDerWaalsContact CZ-CD 3.43Å; F930-Q934 HydrophobicContact CZ-CG 3.62Å; F930-Q934 WeakPolarHBondContact O-CG 3.33Å; F930-Q934 PolarHBondContact O-N 2.96Å; F930-Y994 WeakPolarHBondContact CD1-O 3.29Å; F930-S995 VanDerWaalsContact CE1-CA 3.41Å; F930-S995 VanDerWaalsContact CE1-CB 3.45Å |
| 931 | Q | 68.3 | Low | 68.2 | Low | 31 Ų | 31 | 61.6 Ų | 61.6 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 175 | -70.1 | -172.7 | -59.5 | 0 | 0 | 112.4 | Y927 R928 T929 Q934 L935 L957 | Y927-Q931 HydrophobicContact CD1-CG 4.29Å; Y927-Q931 HydrophobicContact CE1-CG 3.82Å; Y927-Q931 VanDerWaalsContact CE1-OE1 3.31Å; Y927-Q931 HydrophobicContact CE2-CG 4.42Å; Y927-Q931 WeakPolarHBondContact O-CG 3.47Å; Y927-Q931 PolarHBondContact O-N 3.36Å; Y927-Q931 PolarHBondContact OH-NE2 2.99Å; R928-Q931 PolarHBondContact O-N 3.21Å; T929-Q931 PolarHBondContact O-N 3.39Å; Q931-Q934 PolarHBondContact O-N 3.21Å; Q931-L935 PolarHBondContact O-N 3.12Å; Q931-L957 HydrophobicContact CB-CD1 3.81Å |
| 932 | I | 64.8 | Low | 66.2 | Low | 75 Ų | 75 | 64.3 Ų | 64.3 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 175.2 | -63.5 | 165.2 | 0 | 0 | 0 | 110.4 | R928 T929 Q934 L935 L936 L954 | R928-I932 WeakPolarHBondContact O-CG1 3.37Å; R928-I932 PolarHBondContact O-N 3.29Å; T929-I932 PolarHBondContact O-N 2.79Å; I932-Q934 VanDerWaalsContact C-N 3.35Å; I932-Q934 PolarHBondContact O-N 2.68Å; I932-L935 PolarHBondContact O-N 3.49Å; I932-L936 HydrophobicContact CG2-CD1 3.94Å; I932-L936 HydrophobicContact CG2-CG 4.46Å; I932-L936 WeakPolarHBondContact O-CG 3.23Å; I932-L936 PolarHBondContact O-N 3.39Å; I932-L954 HydrophobicContact CG1-CD1 4.22Å |
| 933 | E | 69 | Low | 64 | Low | 115 Ų | 115 | 67 Ų | 67 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 173.9 | -73.6 | 177.7 | -179.5 | 0 | 0 | 112.5 | T929 F930 S937 | T929-E933 WeakPolarHBondContact O-CG 3.01Å; T929-E933 PolarHBondContact O-N 2.91Å; F930-E933 PolarHBondContact O-N 3.35Å; E933-S937 VanDerWaalsContact O-CB 3.31Å; E933-S937 WeakPolarHBondContact O-CB 3.3Å; E933-S937 PolarHBondContact O-N 3.09Å; E933-S937 PolarHBondContact O-OG 2.98Å |
| 934 | Q | 65.9 | Low | 61.7 | Low | 104 Ų | 104 | 78.4 Ų | 78.4 | 49% | 0.486 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 174.5 | -76.4 | -153.8 | -58.2 | 0 | 0 | 112.4 | F930 Q931 I932 S937 S938 | F930-Q934 HydrophobicContact CD1-CG 4.21Å; F930-Q934 HydrophobicContact CE1-CG 3.65Å; F930-Q934 VanDerWaalsContact CE1-OE1 3.27Å; F930-Q934 HydrophobicContact CE2-CG 4.13Å; F930-Q934 VanDerWaalsContact CZ-CD 3.43Å; F930-Q934 HydrophobicContact CZ-CG 3.62Å; F930-Q934 WeakPolarHBondContact O-CG 3.33Å; F930-Q934 PolarHBondContact O-N 2.96Å; Q931-Q934 PolarHBondContact O-N 3.21Å; I932-Q934 VanDerWaalsContact C-N 3.35Å; I932-Q934 PolarHBondContact O-N 2.68Å; Q934-S937 WeakPolarHBondContact CA-OG 3.4Å; Q934-S937 PolarHBondContact O-OG 3.02Å; Q934-S938 VanDerWaalsContact O-CB 3.31Å; Q934-S938 WeakPolarHBondContact O-CB 3.23Å; Q934-S938 PolarHBondContact O-N 3.32Å; Q934-S938 PolarHBondContact O-OG 3.12Å |
| 935 | L | 59.6 | Low | 59.8 | Low | 37 Ų | 37 | 80.4 Ų | 80.4 | 19% | 0.194 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.1 | -55.8 | 173.7 | -80.6 | 174.2 | 0 | 0 | 0 | 110.9 | Q931 I932 S937 S938 C939 K953 L954 L957 | Q931-L935 PolarHBondContact O-N 3.12Å; I932-L935 PolarHBondContact O-N 3.49Å; L935-S937 VanDerWaalsContact C-N 3.34Å; L935-S937 PolarHBondContact O-N 3.28Å; L935-S938 PolarHBondContact O-N 3.27Å; L935-S938 VanDerWaalsContact O-N 3.1Å; L935-S938 PolarHBondContact O-OG 2.93Å; L935-C939 PolarHBondContact O-N 3.21Å; L935-C939 PolarHBondContact O-SG 2.84Å; L935-C939 VanDerWaalsContact O-SG 3.32Å; L935-K953 HydrophobicContact CD1-CB 4.2Å; L935-K953 HydrophobicContact CD2-CB 3.73Å; L935-K953 HydrophobicContact CD2-CD 3.86Å; L935-K953 HydrophobicContact CD2-CG 4.34Å; L935-L954 HydrophobicContact CD1-CD1 4.05Å; L935-L957 HydrophobicContact CD1-CD1 3.59Å; L935-L957 HydrophobicContact CD1-CG 4.43Å |
| 936 | L | 59.7 | Low | 58.3 | Low | 89 Ų | 89 | 79.1 Ų | 79.1 | 47% | 0.466 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.6 | -43.1 | -179 | -67.8 | 170.1 | 0 | 0 | 0 | 112.5 | I932 C939 N940 M950 | I932-L936 HydrophobicContact CG2-CD1 3.94Å; I932-L936 HydrophobicContact CG2-CG 4.46Å; I932-L936 WeakPolarHBondContact O-CG 3.23Å; I932-L936 PolarHBondContact O-N 3.39Å; L936-C939 PolarHBondContact O-N 2.9Å; L936-N940 PolarHBondContact O-N 2.87Å; L936-N940 PolarHBondContact O-ND2 3.19Å; L936-M950 HydrophobicContact CD2-SD 4.24Å |
| 937 | S | 61 | Low | 56.4 | Low | 60 Ų | 60 | 83.3 Ų | 83.3 | 42% | 0.42 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.2 | -34 | 177 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | E933 Q934 L935 N940 Q941 | E933-S937 VanDerWaalsContact O-CB 3.31Å; E933-S937 WeakPolarHBondContact O-CB 3.3Å; E933-S937 PolarHBondContact O-N 3.09Å; E933-S937 PolarHBondContact O-OG 2.98Å; Q934-S937 WeakPolarHBondContact CA-OG 3.4Å; Q934-S937 PolarHBondContact O-OG 3.02Å; L935-S937 VanDerWaalsContact C-N 3.34Å; L935-S937 PolarHBondContact O-N 3.28Å; S937-N940 PolarHBondContact O-N 3.25Å; S937-Q941 PolarHBondContact O-N 3.34Å; S937-Q941 VanDerWaalsContact O-N 3.16Å |
| 938 | S | 59.5 | Low | 54.6 | Low | 44 Ų | 44 | 83.9 Ų | 83.9 | 31% | 0.308 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 174.1 | 76.2 | 0 | 0 | 0 | 0 | 112.2 | Q934 L935 Q941 L942 | Q934-S938 VanDerWaalsContact O-CB 3.31Å; Q934-S938 WeakPolarHBondContact O-CB 3.23Å; Q934-S938 PolarHBondContact O-N 3.32Å; Q934-S938 PolarHBondContact O-OG 3.12Å; L935-S938 PolarHBondContact O-N 3.27Å; L935-S938 VanDerWaalsContact O-N 3.1Å; L935-S938 PolarHBondContact O-OG 2.93Å; S938-Q941 PolarHBondContact O-N 2.95Å; S938-L942 WeakPolarHBondContact O-CB 3.33Å; S938-L942 PolarHBondContact O-N 3.4Å |
| 939 | C | 49 | Very low | 53.6 | Low | 14 Ų | 14 | 82.9 Ų | 82.9 | 10% | 0.095 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 175.1 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | L935 L936 Q941 L942 L945 M950 | L935-C939 PolarHBondContact O-N 3.21Å; L935-C939 PolarHBondContact O-SG 2.84Å; L935-C939 VanDerWaalsContact O-SG 3.32Å; L936-C939 PolarHBondContact O-N 2.9Å; C939-Q941 VanDerWaalsContact C-N 3.34Å; C939-Q941 PolarHBondContact O-N 2.71Å; C939-L942 CarbonylContact O-C 3.56Å; C939-L942 VanDerWaalsContact O-O 3.1Å; C939-L945 HydrophobicContact CB-CD1 4.49Å; C939-M950 HydrophobicContact CB-CG 4.36Å; C939-M950 HydrophobicContact CB-SD 3.71Å; C939-M950 VanDerWaalsContact SG-SD 3.6Å |
| 940 | N | 47.8 | Very low | 51.9 | Low | 138 Ų | 138 | 82.9 Ų | 82.9 | 74% | 0.738 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.7 | -25.4 | 174.8 | -73.6 | -20.6 | 0 | 0 | 0 | 113.6 | L936 S937 | L936-N940 PolarHBondContact O-N 2.87Å; L936-N940 PolarHBondContact O-ND2 3.19Å; S937-N940 PolarHBondContact O-N 3.25Å |
| 941 | Q | 48.3 | Very low | 50.3 | Low | 174 Ų | 174 | 87.7 Ų | 87.7 | 81% | 0.813 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -87.3 | -39.7 | 174.9 | -70 | -172.4 | 3.4 | 0 | 0 | 112.6 | S937 S938 C939 G943 | S937-Q941 PolarHBondContact O-N 3.34Å; S937-Q941 VanDerWaalsContact O-N 3.16Å; S938-Q941 PolarHBondContact O-N 2.95Å; C939-Q941 VanDerWaalsContact C-N 3.34Å; C939-Q941 PolarHBondContact O-N 2.71Å; Q941-G943 VanDerWaalsContact C-N 3.25Å; Q941-G943 PolarHBondContact O-N 3.5Å; Q941-G943 VanDerWaalsContact O-N 3.12Å |
| 942 | L | 39.3 | Very low | 49.2 | Very low | 113 Ų | 113 | 89.1 Ų | 89.1 | 59% | 0.592 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -84.5 | 70.4 | 169.7 | -65.8 | 171.3 | 0 | 0 | 0 | 109.1 | S938 C939 R944 L945 | S938-L942 WeakPolarHBondContact O-CB 3.33Å; S938-L942 PolarHBondContact O-N 3.4Å; C939-L942 CarbonylContact O-C 3.56Å; C939-L942 VanDerWaalsContact O-O 3.1Å; L942-R944 PolarHBondContact O-N 2.8Å; L942-L945 HydrophobicContact CB-CD1 4.08Å; L942-L945 HydrophobicContact CB-CG 4.44Å; L942-L945 HydrophobicContact CD1-CD1 4.34Å |
| 943 | G | 41.6 | Very low | 48.2 | Very low | 67 Ų | 67 | 89.6 Ų | 89.6 | 69% | 0.691 | 47% | 0.472 | S | S | * | . | trans | -65.9 | 33.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q941 | Q941-G943 VanDerWaalsContact C-N 3.25Å; Q941-G943 PolarHBondContact O-N 3.5Å; Q941-G943 VanDerWaalsContact O-N 3.12Å | ||
| 944 | R | 37.7 | Very low | 47 | Very low | 245 Ų | 245 | 87.7 Ų | 87.7 | 93% | 0.925 | 47% | 0.465 | S | S | * | . | trans | -150.9 | 66.8 | 167.5 | -69.7 | -167.9 | 175.3 | -169.7 | -4.4 | 109.5 | L942 | L942-R944 PolarHBondContact O-N 2.8Š| ||
| 945 | L | 37.3 | Very low | 45.6 | Very low | 61 Ų | 61 | 83.8 Ų | 83.8 | 32% | 0.319 | 45% | 0.447 | S | S | . | . | trans | -122.9 | 140.4 | 165.2 | -75 | 174.1 | 0 | 0 | 0 | 108.6 | C939 L942 D949 | C939-L945 HydrophobicContact CB-CD1 4.49Å; L942-L945 HydrophobicContact CB-CD1 4.08Å; L942-L945 HydrophobicContact CB-CG 4.44Å; L942-L945 HydrophobicContact CD1-CD1 4.34Å; L945-D949 HydrophobicContact CB-CB 4.33Å; L945-D949 HydrophobicContact CD2-CB 4.15Å | ||
| 946 | S | 42.3 | Very low | 44.7 | Very low | 49 Ų | 49 | 83.8 Ų | 83.8 | 34% | 0.343 | 46% | 0.456 | S | S | . | . | trans | -75.7 | 166.9 | -178.9 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | N948 D949 | S946-N948 PolarHBondContact O-N 2.79Å; S946-N948 VanDerWaalsContact O-N 3.16Å; S946-N948 PolarHBondContact OG-N 2.99Å; S946-D949 WeakPolarHBondContact CB-OD2 3.34Å; S946-D949 PolarHBondContact N-OD2 2.82Å; S946-D949 VanDerWaalsContact OG-CG 3.29Å; S946-D949 PolarHBondContact OG-N 3.06Å; S946-D949 PolarHBondContact OG-OD2 3.25Å | ||
| 947 | T | 40.2 | Very low | 43.5 | Very low | 106 Ų | 106 | 81.4 Ų | 81.4 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.9 | -26.1 | 167.3 | 41.1 | 0 | 0 | 0 | 0 | 112.7 | M950 R951 | T947-M950 PolarHBondContact O-N 2.93Å; T947-R951 PolarHBondContact O-N 2.95Å |
| 948 | N | 40.3 | Very low | 42.3 | Very low | 41 Ų | 41 | 82 Ų | 82 | 22% | 0.219 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -91.3 | -35.2 | -167.1 | -45.7 | -20.9 | 0 | 0 | 0 | 109.9 | S946 M950 R951 A952 E2157 | S946-N948 PolarHBondContact O-N 2.79Å; S946-N948 VanDerWaalsContact O-N 3.16Å; S946-N948 PolarHBondContact OG-N 2.99Å; N948-M950 PolarHBondContact O-N 3.33Å; N948-R951 PolarHBondContact O-N 2.92Å; N948-R951 VanDerWaalsContact O-N 3.16Å; N948-A952 PolarHBondContact O-N 2.91Å; N948-E2157 WeakPolarHBondContact CB-OE2 3.26Å; N948-E2157 VanDerWaalsContact CG-CD 3.44Å; N948-E2157 VanDerWaalsContact CG-OE2 3.27Å; N948-E2157 WeakPolarHBondContact ND2-CG 3.32Å; N948-E2157 PolarHBondContact ND2-OE1 2.9Å; N948-E2157 PolarHBondContact ND2-OE2 3.46Å |
| 949 | D | 45 | Very low | 41 | Very low | 67 Ų | 67 | 82.8 Ų | 82.8 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55.3 | -32.5 | 164 | -69.3 | -67.4 | 0 | 0 | 0 | 112.8 | L945 S946 K953 | L945-D949 HydrophobicContact CB-CB 4.33Å; L945-D949 HydrophobicContact CD2-CB 4.15Å; S946-D949 WeakPolarHBondContact CB-OD2 3.34Å; S946-D949 PolarHBondContact N-OD2 2.82Å; S946-D949 VanDerWaalsContact OG-CG 3.29Å; S946-D949 PolarHBondContact OG-N 3.06Å; S946-D949 PolarHBondContact OG-OD2 3.25Å; D949-K953 WeakPolarHBondContact O-CD 3.24Å; D949-K953 VanDerWaalsContact O-CG 3.3Å; D949-K953 WeakPolarHBondContact O-CG 3.44Å |
| 950 | M | 38.9 | Very low | 40.1 | Very low | 72 Ų | 72 | 85.2 Ų | 85.2 | 36% | 0.355 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.6 | -43.3 | 175.8 | -63.8 | -147.4 | -69.7 | 0 | 0 | 111.7 | L936 C939 T947 N948 K953 L954 | L936-M950 HydrophobicContact CD2-SD 4.24Å; C939-M950 HydrophobicContact CB-CG 4.36Å; C939-M950 HydrophobicContact CB-SD 3.71Å; C939-M950 VanDerWaalsContact SG-SD 3.6Å; T947-M950 PolarHBondContact O-N 2.93Å; N948-M950 PolarHBondContact O-N 3.33Å; M950-K953 PolarHBondContact O-N 3.34Å; M950-L954 PolarHBondContact O-N 2.69Å |
| 951 | R | 41.4 | Very low | 39.4 | Very low | 139 Ų | 139 | 80.4 Ų | 80.4 | 53% | 0.525 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.9 | -53.8 | 179.2 | -141.2 | 172.7 | -163.5 | 153.9 | 2.9 | 110.9 | T947 N948 K953 L954 D955 Y2137 | T947-R951 PolarHBondContact O-N 2.95Å; N948-R951 PolarHBondContact O-N 2.92Å; N948-R951 VanDerWaalsContact O-N 3.16Å; R951-K953 PolarHBondContact O-N 2.68Å; R951-K953 VanDerWaalsContact O-N 3.11Å; R951-L954 VanDerWaalsContact O-CB 3.32Å; R951-L954 WeakPolarHBondContact O-CB 3.45Å; R951-L954 PolarHBondContact O-N 3.41Å; R951-D955 PolarHBondContact O-N 3.09Å; R951-Y2137 HydrophobicContact CB-CE1 4.28Å; R951-Y2137 HydrophobicContact CG-CE1 3.95Å; R951-Y2137 PolarHBondContact O-OH 2.76Å |
| 952 | A | 45.4 | Very low | 38.8 | Very low | 62 Ų | 62 | 79.2 Ų | 79.2 | 51% | 0.512 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.7 | -30.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | N948 Y2137 | N948-A952 PolarHBondContact O-N 2.91Å; A952-Y2137 VanDerWaalsContact CA-OH 3.26Å; A952-Y2137 WeakPolarHBondContact CA-OH 3.28Å; A952-Y2137 PolarHBondContact N-OH 3.37Å; A952-Y2137 VanDerWaalsContact N-OH 3.14Å |
| 953 | K | 42.9 | Very low | 38.1 | Very low | 84 Ų | 84 | 79.8 Ų | 79.8 | 37% | 0.365 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -78.9 | -23.5 | 175.3 | -71 | 172.4 | -171.2 | 162.8 | 0 | 113.6 | L935 D949 M950 R951 | L935-K953 HydrophobicContact CD1-CB 4.2Å; L935-K953 HydrophobicContact CD2-CB 3.73Å; L935-K953 HydrophobicContact CD2-CD 3.86Å; L935-K953 HydrophobicContact CD2-CG 4.34Å; D949-K953 WeakPolarHBondContact O-CD 3.24Å; D949-K953 VanDerWaalsContact O-CG 3.3Å; D949-K953 WeakPolarHBondContact O-CG 3.44Å; M950-K953 PolarHBondContact O-N 3.34Å; R951-K953 PolarHBondContact O-N 2.68Å; R951-K953 VanDerWaalsContact O-N 3.11Å |
| 954 | L | 43.3 | Very low | 37.3 | Very low | 75 Ų | 75 | 83 Ų | 83 | 39% | 0.393 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.5 | -46 | -179.5 | -151.6 | 72.4 | 0 | 0 | 0 | 110.8 | I932 L935 M950 R951 G956 L957 N958 | I932-L954 HydrophobicContact CG1-CD1 4.22Å; L935-L954 HydrophobicContact CD1-CD1 4.05Å; M950-L954 PolarHBondContact O-N 2.69Å; R951-L954 VanDerWaalsContact O-CB 3.32Å; R951-L954 WeakPolarHBondContact O-CB 3.45Å; R951-L954 PolarHBondContact O-N 3.41Å; L954-G956 VanDerWaalsContact C-N 3.32Å; L954-G956 PolarHBondContact O-N 3.49Å; L954-L957 WeakPolarHBondContact O-CB 3.48Å; L954-L957 PolarHBondContact O-N 2.87Å; L954-N958 PolarHBondContact O-N 2.7Å |
| 955 | D | 37.2 | Very low | 36.6 | Very low | 22 Ų | 22 | 80.8 Ų | 80.8 | 12% | 0.118 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -71 | -27.1 | 180 | -66.1 | -67.8 | 0 | 0 | 0 | 113.8 | R951 L957 N958 S959 Y2137 | R951-D955 PolarHBondContact O-N 3.09Å; D955-L957 PolarHBondContact O-N 2.88Å; D955-N958 PolarHBondContact O-N 3.3Å; D955-S959 PolarHBondContact O-N 2.89Å; D955-S959 PolarHBondContact O-OG 2.71Å; D955-Y2137 HydrophobicContact CB-CE2 4.37Å; D955-Y2137 VanDerWaalsContact OD2-CE2 3.27Å; D955-Y2137 WeakPolarHBondContact OD2-CE2 3.36Å; D955-Y2137 PolarHBondContact OD2-OH 3.14Å |
| 956 | G | 39.8 | Very low | 36 | Very low | 37 Ų | 37 | 80 Ų | 80 | 38% | 0.381 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.4 | -27.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L954 S959 A960 | L954-G956 VanDerWaalsContact C-N 3.32Å; L954-G956 PolarHBondContact O-N 3.49Å; G956-S959 PolarHBondContact O-OG 3.39Å; G956-A960 WeakPolarHBondContact O-CB 3.36Å; G956-A960 PolarHBondContact O-N 3.14Å |
| 957 | L | 36.3 | Very low | 35.1 | Very low | 39 Ų | 39 | 83.8 Ų | 83.8 | 20% | 0.204 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -79 | -38.2 | 174 | -62.5 | 177.8 | 0 | 0 | 0 | 112.3 | Q931 L935 L954 D955 S959 A960 L961 | Q931-L957 HydrophobicContact CB-CD1 3.81Å; L935-L957 HydrophobicContact CD1-CD1 3.59Å; L935-L957 HydrophobicContact CD1-CG 4.43Å; L954-L957 WeakPolarHBondContact O-CB 3.48Å; L954-L957 PolarHBondContact O-N 2.87Å; D955-L957 PolarHBondContact O-N 2.88Å; L957-S959 VanDerWaalsContact C-N 3.33Å; L957-S959 PolarHBondContact O-N 3.49Å; L957-A960 PolarHBondContact O-N 3.38Å; L957-L961 WeakPolarHBondContact O-CG 3.24Å; L957-L961 PolarHBondContact O-N 2.94Å; L957-L961 VanDerWaalsContact O-N 3.15Å |
| 958 | N | 35.7 | Very low | 34.3 | Very low | 74 Ų | 74 | 84 Ų | 84 | 40% | 0.396 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 179.5 | -80.6 | -28 | 0 | 0 | 0 | 111.8 | L954 D955 F962 | L954-N958 PolarHBondContact O-N 2.7Å; D955-N958 PolarHBondContact O-N 3.3Å; N958-F962 VanDerWaalsContact O-CD2 3.31Å; N958-F962 WeakPolarHBondContact O-CD2 3.24Å |
| 959 | S | 31.9 | Very low | 33.5 | Very low | 60 Ų | 60 | 88.9 Ų | 88.9 | 42% | 0.42 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.6 | -45.6 | 175.7 | 53.9 | 0 | 0 | 0 | 0 | 113 | D955 G956 L957 L961 F962 | D955-S959 PolarHBondContact O-N 2.89Å; D955-S959 PolarHBondContact O-OG 2.71Å; G956-S959 PolarHBondContact O-OG 3.39Å; L957-S959 VanDerWaalsContact C-N 3.33Å; L957-S959 PolarHBondContact O-N 3.49Å; S959-L961 VanDerWaalsContact C-N 3.27Å; S959-L961 PolarHBondContact O-N 2.88Å; S959-F962 PolarHBondContact O-N 3.4Å |
| 960 | A | 30.6 | Very low | 32.4 | Very low | 65 Ų | 65 | 95.4 Ų | 95.4 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -25.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G956 L957 F962 | G956-A960 WeakPolarHBondContact O-CB 3.36Å; G956-A960 PolarHBondContact O-N 3.14Å; L957-A960 PolarHBondContact O-N 3.38Å; A960-F962 VanDerWaalsContact C-N 3.28Å; A960-F962 PolarHBondContact O-N 3.45Å |
| 961 | L | 33.1 | Very low | 31.7 | Very low | 36 Ų | 36 | 95.5 Ų | 95.5 | 19% | 0.188 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -13.3 | 179.4 | -78.6 | 168.9 | 0 | 0 | 0 | 114.7 | Y927 R928 L957 S959 | Y927-L961 HydrophobicContact CD1-CD2 4.16Å; Y927-L961 HydrophobicContact CE1-CD2 4.11Å; R928-L961 HydrophobicContact CG-CD1 3.83Å; L957-L961 WeakPolarHBondContact O-CG 3.24Å; L957-L961 PolarHBondContact O-N 2.94Å; L957-L961 VanDerWaalsContact O-N 3.15Å; S959-L961 VanDerWaalsContact C-N 3.27Å; S959-L961 PolarHBondContact O-N 2.88Å |
| 962 | F | 33.9 | Very low | 30.8 | Very low | 150 Ų | 150 | 93.8 Ų | 93.8 | 66% | 0.658 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -15.1 | -177.6 | -65.4 | -67.7 | 0 | 0 | 0 | 114.8 | N958 S959 A960 | N958-F962 VanDerWaalsContact O-CD2 3.31Å; N958-F962 WeakPolarHBondContact O-CD2 3.24Å; S959-F962 PolarHBondContact O-N 3.4Å; A960-F962 VanDerWaalsContact C-N 3.28Å; A960-F962 PolarHBondContact O-N 3.45Å |
| 963 | I | 24.9 | Very low | 29.7 | Very low | 125 Ų | 125 | 97.9 Ų | 97.9 | 64% | 0.641 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -95.8 | 123 | -179.6 | -59.1 | 176.3 | 0 | 0 | 0 | 109.6 | Q965 | I963-Q965 PolarHBondContact O-N 3.22Š|
| 964 | N | 25.7 | Very low | 28.7 | Very low | 133 Ų | 133 | 100.8 Ų | 100.8 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | trans | -62.7 | 123.3 | 175 | -72.5 | -79.5 | 0 | 0 | 0 | 109.9 | S966 | N964-S966 PolarHBondContact O-N 2.89Š| ||
| 965 | Q | 23.5 | Very low | 27.7 | Very low | 200 Ų | 200 | 102.8 Ų | 102.8 | 94% | 0.935 | 59% | 0.591 | S | S | * | * | trans | -60.8 | 102.3 | 175.2 | -71.7 | -177.9 | -26.2 | 0 | 0 | 111.5 | I963 | I963-Q965 PolarHBondContact O-N 3.22Š| ||
| 966 | S | 23 | Very low | 27.1 | Very low | 44 Ų | 44 | 107.6 Ų | 107.6 | 31% | 0.308 | 62% | 0.621 | S | S | . | * | trans | -73.9 | 144.9 | 154.3 | 44 | 0 | 0 | 0 | 0 | 109.5 | N964 L968 Y2068 | N964-S966 PolarHBondContact O-N 2.89Å; S966-L968 PolarHBondContact O-N 3.16Å; S966-Y2068 WeakPolarHBondContact CB-OH 3.44Å | ||
| 967 | S | 23.4 | Very low | 26.4 | Very low | 129 Ų | 129 | 112.9 Ų | 112.9 | 90% | 0.902 | 64% | 0.641 | S | S | * | * | trans | -78.4 | 87.9 | -173.7 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 968 | L | 23.3 | Very low | 25.8 | Very low | 109 Ų | 109 | 116.4 Ų | 116.4 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | trans | -110.7 | 136.6 | 174.5 | -70.7 | 167.3 | 0 | 0 | 0 | 108.6 | S966 | S966-L968 PolarHBondContact O-N 3.16Š| ||
| 969 | L | 23.9 | Very low | 25.3 | Very low | 145 Ų | 145 | 118.2 Ų | 118.2 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | cis | -138.8 | 153.1 | 2.6 | -91.4 | 132.1 | 0 | 0 | 0 | 111.7 | ||||
| 970 | H | 23.2 | Very low | 25 | Very low | 203 Ų | 203 | 119.9 Ų | 119.9 | 94% | 0.94 | 71% | 0.705 | S | S | * | * | trans | -95.1 | 99.8 | 156.6 | -96.3 | -82.3 | 0 | 0 | 0 | 109.3 | ||||
| 971 | A | 22.5 | Very low | 24.8 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | trans | -153.9 | 95.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 972 | S | 22.6 | Very low | 24.4 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | 97.6 | 115.8 | 74 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 973 | D | 23.4 | Very low | 24.1 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | 60.4 | 70.7 | 154.9 | -56.2 | -16.7 | 0 | 0 | 0 | 120 | ||||
| 974 | T | 22.8 | Very low | 24.3 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | -119.6 | 104.8 | 129.9 | 41.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 975 | T | 22 | Very low | 24.3 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | -72.8 | 155.8 | 178.1 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 976 | T | 24 | Very low | 24.4 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 61.2 | 95.9 | 170.3 | 56.8 | 0 | 0 | 0 | 0 | 117.3 | ||
| 977 | N | 24.9 | Very low | 24.6 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | -172.8 | 22.7 | 127.4 | -92.9 | -28.2 | 0 | 0 | 0 | 114.4 | S979 | N977-S979 VanDerWaalsContact C-N 3.31Å; N977-S979 PolarHBondContact O-N 3.08Å | |||
| 978 | A | 23.7 | Very low | 24.9 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | trans | -78 | 65 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 979 | S | 24.9 | Very low | 25.3 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -150.3 | 19.9 | 175.7 | 73.6 | 0 | 0 | 0 | 0 | 116.4 | N977 | N977-S979 VanDerWaalsContact C-N 3.31Å; N977-S979 PolarHBondContact O-N 3.08Å |
| 980 | S | 26.3 | Very low | 25.8 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -135.3 | -6.6 | -172.1 | 55.9 | 0 | 0 | 0 | 0 | 117.1 | ||
| 981 | L | 24.9 | Very low | 26.5 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -112.2 | 8.8 | -169 | -88.1 | 164.7 | 0 | 0 | 0 | 116.6 | A983 | L981-A983 VanDerWaalsContact C-N 3.34Å; L981-A983 PolarHBondContact O-N 2.96Å | ||
| 982 | S | 25.3 | Very low | 27.7 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -90.5 | 25.9 | 179.9 | 56.2 | 0 | 0 | 0 | 0 | 115 | ||
| 983 | A | 28.8 | Very low | 29.1 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -129 | 3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117 | L981 | L981-A983 VanDerWaalsContact C-N 3.34Å; L981-A983 PolarHBondContact O-N 2.96Å |
| 984 | V | 28.3 | Very low | 30.6 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | -117.9 | -8.9 | -170.7 | -169.4 | 0 | 0 | 0 | 0 | 114.4 | N986 | V984-N986 PolarHBondContact O-N 3.16Š| ||
| 985 | Y | 24.9 | Very low | 31.8 | Very low | 229 Ų | 229 | 115.7 Ų | 115.7 | 90% | 0.898 | 69% | 0.69 | S | S | * | * | trans | -78.9 | 81.3 | 171.6 | -79.3 | -74.5 | 0 | 0 | 0 | 111.7 | ||||
| 986 | N | 26.1 | Very low | 33.9 | Very low | 160 Ų | 160 | 117.4 Ų | 117.4 | 86% | 0.856 | 68% | 0.683 | S | S | * | * | trans | -161.7 | 58.7 | 166.7 | -100.1 | -32.5 | 0 | 0 | 0 | 112.6 | V984 | V984-N986 PolarHBondContact O-N 3.16Š| ||
| 987 | T | 27.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | trans | -142.1 | 112.2 | 164.2 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | T989 | T987-T989 PolarHBondContact O-N 3.24Š| ||
| 988 | D | 29.4 | Very low | 38.5 | Very low | 164 Ų | 164 | 109.5 Ų | 109.5 | 88% | 0.877 | 64% | 0.64 | S | S | * | * | trans | -71.6 | 109.2 | -178 | -66 | -67.9 | 0 | 0 | 0 | 112.5 | ||||
| 989 | T | 31.7 | Very low | 41.2 | Very low | 106 Ų | 106 | 104.6 Ų | 104.6 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | trans | -122.2 | 115.2 | 171.8 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | T987 S991 | T987-T989 PolarHBondContact O-N 3.24Å; T989-S991 VanDerWaalsContact C-N 3.25Å; T989-S991 PolarHBondContact O-N 2.96Å | ||
| 990 | Q | 34.1 | Very low | 43.4 | Very low | 186 Ų | 186 | 102.5 Ų | 102.5 | 87% | 0.869 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 32.6 | -164.3 | -62.2 | -175.8 | -12.5 | 0 | 0 | 114.9 | ||
| 991 | S | 37.6 | Very low | 46 | Very low | 82 Ų | 82 | 99.1 Ų | 99.1 | 57% | 0.573 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -17.6 | -176.2 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | T989 A993 | T989-S991 VanDerWaalsContact C-N 3.25Å; T989-S991 PolarHBondContact O-N 2.96Å; S991-A993 VanDerWaalsContact C-N 3.33Å; S991-A993 PolarHBondContact O-N 2.65Å; S991-A993 VanDerWaalsContact O-N 3.1Å |
| 992 | S | 48.7 | Very low | 48.4 | Very low | 69 Ų | 69 | 92.2 Ų | 92.2 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -76.6 | 7.9 | -161 | 57.7 | 0 | 0 | 0 | 0 | 118.2 | Y994 S995 | S992-Y994 PolarHBondContact O-N 2.99Å; S992-S995 PolarHBondContact O-N 3Å; S992-S995 PolarHBondContact O-OG 3.23Å |
| 993 | A | 51.8 | Low | 50.5 | Low | 34 Ų | 34 | 88.8 Ų | 88.8 | 28% | 0.281 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -63.3 | -42.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S991 S995 | S991-A993 VanDerWaalsContact C-N 3.33Å; S991-A993 PolarHBondContact O-N 2.65Å; S991-A993 VanDerWaalsContact O-N 3.1Å; A993-S995 VanDerWaalsContact C-N 3.35Å |
| 994 | Y | 53.9 | Low | 52.3 | Low | 40 Ų | 40 | 88.5 Ų | 88.5 | 16% | 0.157 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -81.4 | -11 | -178.3 | -72.4 | -105.9 | 0 | 0 | 0 | 113.2 | C885 H886 F890 A926 Y927 F930 S992 R996 | C885-Y994 PolarHBondContact O-OH 3.15Å; H886-Y994 PolarHBondContact O-OH 2.63Å; F890-Y994 HydrophobicContact CE2-CD1 4.05Å; F890-Y994 HydrophobicContact CE2-CD2 4.19Å; F890-Y994 HydrophobicContact CE2-CE1 4.19Å; F890-Y994 HydrophobicContact CE2-CE2 4.29Å; F890-Y994 HydrophobicContact CE2-CG 4.05Å; F890-Y994 AromaticContact CZ-CD1 3.8Å; F890-Y994 HydrophobicContact CZ-CD1 3.8Å; F890-Y994 AromaticContact CZ-CE1 3.72Å; F890-Y994 HydrophobicContact CZ-CE1 3.72Å; F890-Y994 HydrophobicContact CZ-CG 4.28Å; A926-Y994 HydrophobicContact CB-CD1 4.13Å; A926-Y994 HydrophobicContact CB-CE1 4Å; Y927-Y994 WeakPolarHBondContact CD2-O 3.28Å; F930-Y994 WeakPolarHBondContact CD1-O 3.29Å; S992-Y994 PolarHBondContact O-N 2.99Å; Y994-R996 VanDerWaalsContact C-N 3.27Å; Y994-R996 PolarHBondContact O-N 2.92Å |
| 995 | S | 50 | Low | 54.4 | Low | 53 Ų | 53 | 82.8 Ų | 82.8 | 37% | 0.371 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -81.2 | -3.3 | -177.7 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | F930 S992 A993 | F930-S995 VanDerWaalsContact CE1-CA 3.41Å; F930-S995 VanDerWaalsContact CE1-CB 3.45Å; S992-S995 PolarHBondContact O-N 3Å; S992-S995 PolarHBondContact O-OG 3.23Å; A993-S995 VanDerWaalsContact C-N 3.35Å |
| 996 | R | 64.9 | Low | 56.6 | Low | 152 Ų | 152 | 73.2 Ų | 73.2 | 57% | 0.574 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -83.4 | 124.1 | 176 | -64.5 | -175.3 | 178.9 | -174.1 | 4.2 | 110.2 | E891 Y927 Y994 | E891-R996 IonicContact OE1-CZ 3.64Å; E891-R996 IonicContact OE1-NH1 2.69Å; E891-R996 PolarHBondContact OE1-NH1 3.05Å; Y927-R996 WeakPolarHBondContact CD2-O 3.22Å; Y994-R996 VanDerWaalsContact C-N 3.27Å; Y994-R996 PolarHBondContact O-N 2.92Å |
| 997 | T | 70.2 | Confident | 58.1 | Low | 97 Ų | 97 | 68.1 Ų | 68.1 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -54 | 138.4 | 168.2 | 41.5 | 0 | 0 | 0 | 0 | 110.7 | Y927 | Y927-T997 HydrophobicContact CE1-CG2 4.03Å; Y927-T997 HydrophobicContact CE2-CG2 4.16Å; Y927-T997 VanDerWaalsContact OH-CG2 3.24Å; Y927-T997 WeakPolarHBondContact OH-CG2 3.37Å |
| 998 | P | 75.7 | Confident | 59.6 | Low | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 137.1 | 169.4 | -22.7 | 33 | 0 | 0 | 0 | 110.2 | I924 Y927 F1003 | I924-P998 HydrophobicContact CG1-CG 4.45Å; Y927-P998 HydrophobicContact CG-CG 4.33Å; P998-F1003 HydrophobicContact CB-CE2 3.79Å; P998-F1003 HydrophobicContact CB-CZ 4.05Å; P998-F1003 HydrophobicContact CG-CE2 4.45Å; P998-F1003 HydrophobicContact CG-CZ 4.31Å |
| 999 | P | 80.3 | Confident | 61 | Low | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 147.5 | -172 | 27 | -33.1 | 0 | 0 | 0 | 111.3 | Y894 E1001 A1002 Y1085 | Y894-P999 HydrophobicContact CE1-CG 4.3Å; Y894-P999 HydrophobicContact CE2-CG 4.23Å; Y894-P999 VanDerWaalsContact CZ-CD 3.45Å; Y894-P999 WeakPolarHBondContact OH-CD 2.79Å; P999-E1001 PolarHBondContact O-N 3.36Å; P999-A1002 HydrophobicContact CG-CB 3.92Å; P999-A1002 VanDerWaalsContact O-CB 3.29Å; P999-A1002 WeakPolarHBondContact O-CB 3.3Å; P999-A1002 PolarHBondContact O-N 3.05Å; P999-Y1085 HydrophobicContact CB-CD1 4.38Å; P999-Y1085 HydrophobicContact CB-CD2 3.52Å; P999-Y1085 HydrophobicContact CB-CE2 4.01Å; P999-Y1085 HydrophobicContact CB-CG 3.73Å; P999-Y1085 HydrophobicContact CG-CD1 3.97Å; P999-Y1085 HydrophobicContact CG-CD2 3.98Å; P999-Y1085 HydrophobicContact CG-CE1 4.31Å; P999-Y1085 HydrophobicContact CG-CE2 4.27Å; P999-Y1085 HydrophobicContact CG-CG 3.82Å |
| 1000 | P | 71.4 | Confident | 62.2 | Low | 69 Ų | 69 | 55.8 Ų | 55.8 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.2 | -27.7 | 178 | -27.7 | 36.3 | 0 | 0 | 0 | 113.8 | A1002 K1004 | P1000-A1002 VanDerWaalsContact C-N 3.34Å; P1000-K1004 WeakPolarHBondContact O-CD 3.37Å; P1000-K1004 WeakPolarHBondContact O-CE 3.47Å; P1000-K1004 VanDerWaalsContact O-CG 3.3Å; P1000-K1004 WeakPolarHBondContact O-CG 3.42Å; P1000-K1004 PolarHBondContact O-N 3.08Å |
| 1001 | E | 80.1 | Confident | 62.7 | Low | 23 Ų | 23 | 52.1 Ų | 52.1 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -35.1 | 173.7 | -73.4 | 52.7 | -115.6 | 0 | 0 | 112.8 | F899 P999 K1004 V1005 L1089 | F899-E1001 HydrophobicContact CE1-CB 4.06Å; F899-E1001 HydrophobicContact CZ-CB 3.69Å; P999-E1001 PolarHBondContact O-N 3.36Å; E1001-K1004 PolarHBondContact O-N 3.13Å; E1001-K1004 IonicContact OE1-NZ 3.97Å; E1001-K1004 PolarHBondContact OE1-NZ 3.07Å; E1001-V1005 PolarHBondContact O-N 3.23Å; E1001-L1089 HydrophobicContact CB-CD2 4.47Å; E1001-L1089 HydrophobicContact CG-CB 4.38Å; E1001-L1089 HydrophobicContact CG-CD2 4Å |
| 1002 | A | 76.3 | Confident | 63.3 | Low | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.3 | -49.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y894 M898 P999 P1000 K1004 V1005 Y1006 | Y894-A1002 HydrophobicContact CD1-CB 4.39Å; Y894-A1002 HydrophobicContact CE1-CB 3.89Å; M898-A1002 HydrophobicContact CE-CB 3.88Å; M898-A1002 WeakPolarHBondContact CE-O 3.48Å; M898-A1002 HydrophobicContact SD-CB 3.4Å; M898-A1002 WeakPolarHBondContact SD-CB 3.39Å; P999-A1002 HydrophobicContact CG-CB 3.92Å; P999-A1002 VanDerWaalsContact O-CB 3.29Å; P999-A1002 WeakPolarHBondContact O-CB 3.3Å; P999-A1002 PolarHBondContact O-N 3.05Å; P1000-A1002 VanDerWaalsContact C-N 3.34Å; A1002-K1004 PolarHBondContact O-N 2.93Å; A1002-V1005 PolarHBondContact O-N 3.46Å; A1002-V1005 VanDerWaalsContact O-N 3.07Å; A1002-Y1006 PolarHBondContact O-N 3.05Å |
| 1003 | F | 69.7 | Low | 63.1 | Low | 54 Ų | 54 | 46.7 Ų | 46.7 | 24% | 0.237 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -31.8 | 177.5 | -69.7 | -77 | 0 | 0 | 0 | 112.8 | I924 P998 N1007 | I924-F1003 HydrophobicContact CD1-CD1 4.03Å; I924-F1003 HydrophobicContact CD1-CE1 3.68Å; I924-F1003 HydrophobicContact CD1-CZ 4.46Å; I924-F1003 HydrophobicContact CG1-CE1 3.94Å; I924-F1003 HydrophobicContact CG1-CZ 4.27Å; I924-F1003 HydrophobicContact CG2-CE1 4.12Å; I924-F1003 HydrophobicContact CG2-CZ 4.45Å; P998-F1003 HydrophobicContact CB-CE2 3.79Å; P998-F1003 HydrophobicContact CB-CZ 4.05Å; P998-F1003 HydrophobicContact CG-CE2 4.45Å; P998-F1003 HydrophobicContact CG-CZ 4.31Å; F1003-N1007 VanDerWaalsContact O-CB 3.3Å; F1003-N1007 WeakPolarHBondContact O-CB 3.44Å; F1003-N1007 PolarHBondContact O-N 2.74Å; F1003-N1007 PolarHBondContact O-ND2 3.03Å |
| 1004 | K | 66 | Low | 62.4 | Low | 81 Ų | 81 | 53.1 Ų | 53.1 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | 175 | -65 | 161.2 | -157.8 | 162.1 | 0 | 111.4 | P1000 E1001 A1002 C1008 L1031 | P1000-K1004 WeakPolarHBondContact O-CD 3.37Å; P1000-K1004 WeakPolarHBondContact O-CE 3.47Å; P1000-K1004 VanDerWaalsContact O-CG 3.3Å; P1000-K1004 WeakPolarHBondContact O-CG 3.42Å; P1000-K1004 PolarHBondContact O-N 3.08Å; E1001-K1004 PolarHBondContact O-N 3.13Å; E1001-K1004 IonicContact OE1-NZ 3.97Å; E1001-K1004 PolarHBondContact OE1-NZ 3.07Å; A1002-K1004 PolarHBondContact O-N 2.93Å; K1004-C1008 WeakPolarHBondContact O-CB 3.32Å; K1004-C1008 PolarHBondContact O-N 3.24Å; K1004-L1031 HydrophobicContact CB-CD2 3.75Å |
| 1005 | V | 71.1 | Confident | 61.8 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | M898 F899 E1001 A1002 N1007 C1008 I1009 L1031 L1089 L1092 | M898-V1005 HydrophobicContact CE-CB 4.48Å; M898-V1005 HydrophobicContact CG-CB 4.34Å; M898-V1005 HydrophobicContact CG-CG1 4.14Å; F899-V1005 HydrophobicContact CD1-CG2 3.99Å; F899-V1005 HydrophobicContact CE1-CG2 3.63Å; E1001-V1005 PolarHBondContact O-N 3.23Å; A1002-V1005 PolarHBondContact O-N 3.46Å; A1002-V1005 VanDerWaalsContact O-N 3.07Å; V1005-N1007 PolarHBondContact O-N 3.02Å; V1005-C1008 WeakPolarHBondContact O-CB 3.39Å; V1005-C1008 PolarHBondContact O-N 3.25Å; V1005-I1009 HydrophobicContact CG1-CD1 3.91Å; V1005-I1009 WeakPolarHBondContact O-CG1 3.5Å; V1005-I1009 PolarHBondContact O-N 2.68Å; V1005-I1009 VanDerWaalsContact O-N 3.11Å; V1005-L1031 HydrophobicContact CG2-CD1 3.89Å; V1005-L1089 HydrophobicContact CG2-CD1 4.27Å; V1005-L1092 HydrophobicContact CG2-CD2 3.94Å |
| 1006 | Y | 72.7 | Confident | 61.6 | Low | 28 Ų | 28 | 50.7 Ų | 50.7 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -50.7 | 176.4 | 172.5 | -88.2 | 0 | 0 | 0 | 111.5 | L917 L920 Q921 A1002 C1008 I1009 R1010 | L917-Y1006 HydrophobicContact CD2-CD2 4.17Å; L917-Y1006 HydrophobicContact CD2-CE2 4.02Å; L920-Y1006 HydrophobicContact CB-CD2 4.13Å; Q921-Y1006 HydrophobicContact CB-CE2 4.15Å; Q921-Y1006 HydrophobicContact CG-CE2 4.48Å; Q921-Y1006 PolarHBondContact OE1-OH 3.23Å; A1002-Y1006 PolarHBondContact O-N 3.05Å; Y1006-C1008 VanDerWaalsContact C-N 3.34Å; Y1006-C1008 PolarHBondContact O-N 3.34Å; Y1006-I1009 PolarHBondContact O-N 2.92Å; Y1006-R1010 WeakPolarHBondContact O-CB 3.46Å; Y1006-R1010 PolarHBondContact O-N 2.85Å |
| 1007 | N | 56 | Low | 60.8 | Low | 54 Ų | 54 | 47.2 Ų | 47.2 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -37.4 | 178.3 | -79.2 | -52 | 0 | 0 | 0 | 112.6 | F1003 V1005 I1009 R1010 I1011 | F1003-N1007 VanDerWaalsContact O-CB 3.3Å; F1003-N1007 WeakPolarHBondContact O-CB 3.44Å; F1003-N1007 PolarHBondContact O-N 2.74Å; F1003-N1007 PolarHBondContact O-ND2 3.03Å; V1005-N1007 PolarHBondContact O-N 3.02Å; N1007-I1009 VanDerWaalsContact C-N 3.28Å; N1007-I1009 PolarHBondContact O-N 3.1Å; N1007-R1010 PolarHBondContact O-N 3.06Å; N1007-R1010 VanDerWaalsContact OD1-CZ 3.27Å; N1007-R1010 PolarHBondContact OD1-NE 3.28Å; N1007-R1010 PolarHBondContact OD1-NH2 3.3Å; N1007-I1011 WeakPolarHBondContact O-CB 3.39Å; N1007-I1011 WeakPolarHBondContact O-CD1 3.47Å; N1007-I1011 VanDerWaalsContact O-CG1 3.28Å; N1007-I1011 WeakPolarHBondContact O-CG1 3.23Å; N1007-I1011 PolarHBondContact O-N 3.22Å; N1007-I1011 VanDerWaalsContact O-N 3.08Å |
| 1008 | C | 59.1 | Low | 59.5 | Low | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.4 | -40.3 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | K1004 V1005 Y1006 D1026 R1030 L1031 | K1004-C1008 WeakPolarHBondContact O-CB 3.32Å; K1004-C1008 PolarHBondContact O-N 3.24Å; V1005-C1008 WeakPolarHBondContact O-CB 3.39Å; V1005-C1008 PolarHBondContact O-N 3.25Å; Y1006-C1008 VanDerWaalsContact C-N 3.34Å; Y1006-C1008 PolarHBondContact O-N 3.34Å; C1008-D1026 PolarHBondContact SG-O 2.94Å; C1008-D1026 VanDerWaalsContact SG-O 3.36Å; C1008-R1030 HydrophobicContact CB-CB 4.33Å; C1008-R1030 PolarHBondContact O-NH1 2.85Å; C1008-L1031 HydrophobicContact CB-CD1 4.25Å; C1008-L1031 HydrophobicContact CB-CD2 4.23Å; C1008-L1031 HydrophobicContact CB-CG 4.27Å |
| 1009 | I | 60 | Low | 58.3 | Low | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -79.7 | -38.9 | 178.5 | -64.6 | 163.2 | 0 | 0 | 0 | 110.9 | L904 R913 L916 L917 L920 V1005 Y1006 N1007 I1011 A1012 L1016 | L904-I1009 HydrophobicContact CD1-CD1 4.34Å; L904-I1009 HydrophobicContact CD2-CD1 3.97Å; R913-I1009 HydrophobicContact CG-CG2 4.27Å; L916-I1009 HydrophobicContact CD2-CD1 4.28Å; L916-I1009 HydrophobicContact CD2-CG2 3.96Å; L916-I1009 HydrophobicContact CG-CG2 4.49Å; L917-I1009 HydrophobicContact CD2-CB 4.34Å; L917-I1009 HydrophobicContact CD2-CG2 3.97Å; L917-I1009 HydrophobicContact CG-CG2 4.37Å; L920-I1009 HydrophobicContact CD1-CD1 3.57Å; V1005-I1009 HydrophobicContact CG1-CD1 3.91Å; V1005-I1009 WeakPolarHBondContact O-CG1 3.5Å; V1005-I1009 PolarHBondContact O-N 2.68Å; V1005-I1009 VanDerWaalsContact O-N 3.11Å; Y1006-I1009 PolarHBondContact O-N 2.92Å; N1007-I1009 VanDerWaalsContact C-N 3.28Å; N1007-I1009 PolarHBondContact O-N 3.1Å; I1009-I1011 VanDerWaalsContact C-N 3.32Å; I1009-I1011 PolarHBondContact O-N 3.45Å; I1009-A1012 PolarHBondContact O-N 3.33Å; I1009-L1016 HydrophobicContact CG2-CD1 4.4Å |
| 1010 | R | 56.5 | Low | 57.3 | Low | 124 Ų | 124 | 57.9 Ų | 57.9 | 47% | 0.468 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 179.2 | -171.4 | 175.2 | 68.2 | 158.6 | 4 | 112.2 | R913 L917 Y1006 N1007 | R913-R1010 PolarHBondContact NH1-O 3.38Å; L917-R1010 HydrophobicContact CD1-CB 4.47Å; L917-R1010 HydrophobicContact CD1-CG 4.45Å; L917-R1010 HydrophobicContact CD2-CB 3.94Å; Y1006-R1010 WeakPolarHBondContact O-CB 3.46Å; Y1006-R1010 PolarHBondContact O-N 2.85Å; N1007-R1010 PolarHBondContact O-N 3.06Å; N1007-R1010 VanDerWaalsContact OD1-CZ 3.27Å; N1007-R1010 PolarHBondContact OD1-NE 3.28Å; N1007-R1010 PolarHBondContact OD1-NH2 3.3Å |
| 1011 | I | 45.4 | Very low | 56.7 | Low | 108 Ų | 108 | 55.9 Ų | 55.9 | 55% | 0.554 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -77.2 | -20.3 | -175.4 | -65.9 | 167 | 0 | 0 | 0 | 112.9 | N1007 I1009 A1013 | N1007-I1011 WeakPolarHBondContact O-CB 3.39Å; N1007-I1011 WeakPolarHBondContact O-CD1 3.47Å; N1007-I1011 VanDerWaalsContact O-CG1 3.28Å; N1007-I1011 WeakPolarHBondContact O-CG1 3.23Å; N1007-I1011 PolarHBondContact O-N 3.22Å; N1007-I1011 VanDerWaalsContact O-N 3.08Å; I1009-I1011 VanDerWaalsContact C-N 3.32Å; I1009-I1011 PolarHBondContact O-N 3.45Å; I1011-A1013 PolarHBondContact O-N 3.28Å |
| 1012 | A | 48.6 | Very low | 55.4 | Low | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | trans | -73.7 | 17.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1009 L1014 S1015 L1016 D1026 | I1009-A1012 PolarHBondContact O-N 3.33Å; A1012-L1014 PolarHBondContact O-N 3.38Å; A1012-S1015 PolarHBondContact O-N 3.25Å; A1012-S1015 PolarHBondContact O-OG 2.9Å; A1012-L1016 HydrophobicContact CB-CD1 3.48Å; A1012-L1016 VanDerWaalsContact CB-CD1 3.48Å; A1012-L1016 HydrophobicContact CB-CG 3.78Å; A1012-L1016 PolarHBondContact O-N 2.88Å; A1012-D1026 HydrophobicContact CB-CB 4.39Å; A1012-D1026 WeakPolarHBondContact CB-OD1 3.44Å | ||
| 1013 | A | 44.6 | Very low | 54.8 | Low | 33 Ų | 33 | 55.4 Ų | 55.4 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -48.8 | -59.1 | -152 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1011 S1015 | I1011-A1013 PolarHBondContact O-N 3.28Å; A1013-S1015 VanDerWaalsContact C-N 3.26Å; A1013-S1015 PolarHBondContact O-N 3.29Å |
| 1014 | L | 38.7 | Very low | 54.2 | Low | 169 Ų | 169 | 53.1 Ų | 53.1 | 89% | 0.885 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -73.4 | -11.2 | -173.8 | -64.6 | 175.7 | 0 | 0 | 0 | 114.8 | A1012 | A1012-L1014 PolarHBondContact O-N 3.38Å |
| 1015 | S | 41.2 | Very low | 53.6 | Low | 40 Ų | 40 | 53.4 Ų | 53.4 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -93.4 | -51.1 | -177.7 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | A1012 A1013 Y1018 Q1019 D1026 | A1012-S1015 PolarHBondContact O-N 3.25Å; A1012-S1015 PolarHBondContact O-OG 2.9Å; A1013-S1015 VanDerWaalsContact C-N 3.26Å; A1013-S1015 PolarHBondContact O-N 3.29Å; S1015-Y1018 PolarHBondContact O-N 3.09Å; S1015-Q1019 PolarHBondContact O-N 2.92Å; S1015-D1026 PolarHBondContact OG-OD2 3.44Å |
| 1016 | L | 45.2 | Very low | 52.8 | Low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.4 | -36.4 | -175.4 | -62.3 | 177.5 | 0 | 0 | 0 | 113.1 | L908 I1009 A1012 Y1018 P1020 S1022 L1023 | L908-L1016 HydrophobicContact CD1-CB 4.4Å; L908-L1016 HydrophobicContact CD1-CD1 3.97Å; L908-L1016 HydrophobicContact CD1-CD2 4.15Å; L908-L1016 HydrophobicContact CD1-CG 4.41Å; I1009-L1016 HydrophobicContact CG2-CD1 4.4Å; A1012-L1016 HydrophobicContact CB-CD1 3.48Å; A1012-L1016 VanDerWaalsContact CB-CD1 3.48Å; A1012-L1016 HydrophobicContact CB-CG 3.78Å; A1012-L1016 PolarHBondContact O-N 2.88Å; L1016-Y1018 VanDerWaalsContact C-N 3.26Å; L1016-Y1018 PolarHBondContact O-N 3.27Å; L1016-P1020 WeakPolarHBondContact O-CD 3.38Å; L1016-S1022 VanDerWaalsContact CD2-OG 3.3Å; L1016-S1022 WeakPolarHBondContact CD2-OG 3.48Å; L1016-L1023 HydrophobicContact CD1-CD1 4.2Å; L1016-L1023 HydrophobicContact CD2-CB 3.89Å; L1016-L1023 HydrophobicContact CD2-CD1 4.01Å |
| 1017 | D | 47.4 | Very low | 52.1 | Low | 79 Ų | 79 | 52.7 Ų | 52.7 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.9 | 179.6 | -74.5 | -43.5 | 0 | 0 | 0 | 112.4 | R913 | R913-D1017 WeakPolarHBondContact CB-OD1 3.3Å; R913-D1017 IonicContact CZ-OD2 2.69Å; R913-D1017 VanDerWaalsContact CZ-OD2 3.24Å; R913-D1017 PolarHBondContact N-OD1 3.49Å; R913-D1017 IonicContact NE-OD1 3.35Å; R913-D1017 IonicContact NE-OD2 3.4Å; R913-D1017 PolarHBondContact NE-OD2 3.37Å; R913-D1017 IonicContact NH2-OD2 3.75Å; R913-D1017 PolarHBondContact NH2-OD2 3.11Å |
| 1018 | Y | 43.6 | Very low | 52 | Low | 203 Ų | 203 | 51.9 Ų | 51.9 | 80% | 0.796 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -40.7 | 172.3 | -175.5 | -102.4 | 0 | 0 | 0 | 112.9 | S1015 L1016 | S1015-Y1018 PolarHBondContact O-N 3.09Å; L1016-Y1018 VanDerWaalsContact C-N 3.26Å; L1016-Y1018 PolarHBondContact O-N 3.27Å |
| 1019 | Q | 51.4 | Low | 51.4 | Low | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | trans | -145.8 | 90.7 | -173.7 | -173.7 | 174.5 | -16.5 | 0 | 0 | 112.2 | S1015 S1021 S1022 | S1015-Q1019 PolarHBondContact O-N 2.92Å; Q1019-S1021 VanDerWaalsContact CG-OG 3.29Å; Q1019-S1021 WeakPolarHBondContact CG-OG 3.42Å; Q1019-S1021 PolarHBondContact NE2-OG 3.44Å; Q1019-S1021 PolarHBondContact O-N 3.2Å; Q1019-S1022 PolarHBondContact O-N 2.81Å | ||
| 1020 | P | 58.1 | Low | 50.9 | Low | 30 Ų | 30 | 57.5 Ų | 57.5 | 20% | 0.195 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -55.6 | -15.9 | 178.4 | -30.8 | 36.9 | 0 | 0 | 0 | 116.4 | L908 R909 L1016 S1022 L1023 | L908-P1020 HydrophobicContact CB-CB 3.99Å; L908-P1020 HydrophobicContact CB-CG 4.28Å; L908-P1020 VanDerWaalsContact O-CG 3.3Å; L908-P1020 WeakPolarHBondContact O-CG 3.37Å; R909-P1020 HydrophobicContact CG-CB 4Å; R909-P1020 HydrophobicContact CG-CG 4.42Å; L1016-P1020 WeakPolarHBondContact O-CD 3.38Å; P1020-S1022 PolarHBondContact O-N 3.17Å; P1020-L1023 WeakPolarHBondContact O-CB 3.21Å; P1020-L1023 PolarHBondContact O-N 3.03Å |
| 1021 | S | 58.4 | Low | 50.7 | Low | 27 Ų | 27 | 52.6 Ų | 52.6 | 19% | 0.189 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -75.6 | -0.2 | 171.9 | 52.5 | 0 | 0 | 0 | 0 | 114.9 | Q1019 L1023 P1024 | Q1019-S1021 VanDerWaalsContact CG-OG 3.29Å; Q1019-S1021 WeakPolarHBondContact CG-OG 3.42Å; Q1019-S1021 PolarHBondContact NE2-OG 3.44Å; Q1019-S1021 PolarHBondContact O-N 3.2Å; S1021-L1023 VanDerWaalsContact C-N 3.32Å; S1021-P1024 WeakPolarHBondContact O-CD 3.3Å |
| 1022 | S | 53.2 | Low | 50.7 | Low | 15 Ų | 15 | 49.7 Ų | 49.7 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -76.7 | -15.6 | 164.9 | 83.2 | 0 | 0 | 0 | 0 | 113.5 | L1016 Q1019 P1020 P1024 I1025 D1026 | L1016-S1022 VanDerWaalsContact CD2-OG 3.3Å; L1016-S1022 WeakPolarHBondContact CD2-OG 3.48Å; Q1019-S1022 PolarHBondContact O-N 2.81Å; P1020-S1022 PolarHBondContact O-N 3.17Å; S1022-P1024 VanDerWaalsContact C-N 3.32Å; S1022-P1024 VanDerWaalsContact O-N 3.08Å; S1022-I1025 WeakPolarHBondContact O-CA 3.39Å; S1022-I1025 VanDerWaalsContact O-CB 3.28Å; S1022-I1025 WeakPolarHBondContact O-CB 3.26Å; S1022-I1025 PolarHBondContact O-N 3.26Å; S1022-D1026 PolarHBondContact O-N 3.35Å; S1022-D1026 PolarHBondContact OG-OD2 3.47Å |
| 1023 | L | 64.5 | Low | 50.3 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -47.6 | -40.3 | -175.2 | -174.6 | 68 | 0 | 0 | 0 | 115.2 | Y901 L904 L908 L1016 P1020 S1021 I1025 D1026 I1027 | Y901-L1023 HydrophobicContact CD2-CD2 4.13Å; Y901-L1023 HydrophobicContact CE2-CB 4.38Å; Y901-L1023 HydrophobicContact CE2-CD2 3.82Å; Y901-L1023 HydrophobicContact CE2-CG 4.07Å; L904-L1023 HydrophobicContact CB-CD2 3.92Å; L908-L1023 HydrophobicContact CD1-CD1 3.9Å; L908-L1023 HydrophobicContact CD1-CD2 4.21Å; L908-L1023 HydrophobicContact CD1-CG 4.48Å; L1016-L1023 HydrophobicContact CD1-CD1 4.2Å; L1016-L1023 HydrophobicContact CD2-CB 3.89Å; L1016-L1023 HydrophobicContact CD2-CD1 4.01Å; P1020-L1023 WeakPolarHBondContact O-CB 3.21Å; P1020-L1023 PolarHBondContact O-N 3.03Å; S1021-L1023 VanDerWaalsContact C-N 3.32Å; L1023-I1025 VanDerWaalsContact C-N 3.34Å; L1023-I1025 PolarHBondContact O-N 3.17Å; L1023-D1026 PolarHBondContact O-N 2.91Å; L1023-I1027 HydrophobicContact CD1-CD1 3.77Å; L1023-I1027 HydrophobicContact CD1-CG1 4.02Å; L1023-I1027 HydrophobicContact CD2-CD1 4.27Å; L1023-I1027 HydrophobicContact CG-CD1 3.74Å; L1023-I1027 HydrophobicContact CG-CG1 4.3Å; L1023-I1027 WeakPolarHBondContact O-CB 3.24Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.18Å; L1023-I1027 PolarHBondContact O-N 2.95Å |
| 1024 | P | 57.6 | Low | 49.5 | Very low | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.4 | -39 | 172.1 | -23.8 | 33.8 | 0 | 0 | 0 | 114.1 | Y901 S1021 S1022 L1028 G1100 | Y901-P1024 HydrophobicContact CE2-CG 3.89Å; Y901-P1024 WeakPolarHBondContact OH-CD 3.32Å; Y901-P1024 VanDerWaalsContact OH-CG 3.23Å; Y901-P1024 WeakPolarHBondContact OH-CG 3.24Å; S1021-P1024 WeakPolarHBondContact O-CD 3.3Å; S1022-P1024 VanDerWaalsContact C-N 3.32Å; S1022-P1024 VanDerWaalsContact O-N 3.08Å; P1024-L1028 WeakPolarHBondContact O-CB 3.21Å; P1024-L1028 WeakPolarHBondContact O-CD1 3.05Å; P1024-L1028 WeakPolarHBondContact O-CG 3.3Å; P1024-L1028 PolarHBondContact O-N 3.22Å; P1024-G1100 VanDerWaalsContact CG-CA 3.41Å |
| 1025 | I | 51.9 | Low | 48.9 | Very low | 87 Ų | 87 | 63.8 Ų | 63.8 | 45% | 0.446 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.4 | -50.3 | 179.8 | -49 | 170.6 | 0 | 0 | 0 | 109 | S1022 L1023 L1028 G1029 | S1022-I1025 WeakPolarHBondContact O-CA 3.39Å; S1022-I1025 VanDerWaalsContact O-CB 3.28Å; S1022-I1025 WeakPolarHBondContact O-CB 3.26Å; S1022-I1025 PolarHBondContact O-N 3.26Å; L1023-I1025 VanDerWaalsContact C-N 3.34Å; L1023-I1025 PolarHBondContact O-N 3.17Å; I1025-L1028 PolarHBondContact O-N 3.06Å; I1025-G1029 WeakPolarHBondContact O-CA 3.46Å; I1025-G1029 PolarHBondContact O-N 3.48Å |
| 1026 | D | 54.2 | Low | 48.2 | Very low | 13 Ų | 13 | 69.8 Ų | 69.8 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 179.8 | -75.8 | -77.7 | 0 | 0 | 0 | 111.8 | C1008 A1012 S1015 S1022 L1023 R1030 | C1008-D1026 PolarHBondContact SG-O 2.94Å; C1008-D1026 VanDerWaalsContact SG-O 3.36Å; A1012-D1026 HydrophobicContact CB-CB 4.39Å; A1012-D1026 WeakPolarHBondContact CB-OD1 3.44Å; S1015-D1026 PolarHBondContact OG-OD2 3.44Å; S1022-D1026 PolarHBondContact O-N 3.35Å; S1022-D1026 PolarHBondContact OG-OD2 3.47Å; L1023-D1026 PolarHBondContact O-N 2.91Å; D1026-R1030 WeakPolarHBondContact O-CB 3.4Å; D1026-R1030 WeakPolarHBondContact O-CG 3.38Å; D1026-R1030 PolarHBondContact O-N 2.89Å; D1026-R1030 IonicContact OD1-CZ 3.64Å; D1026-R1030 IonicContact OD1-NH1 3.8Å; D1026-R1030 PolarHBondContact OD1-NH1 3.27Å; D1026-R1030 IonicContact OD1-NH2 3.93Å; D1026-R1030 PolarHBondContact OD1-NH2 3.43Å |
| 1027 | I | 58.7 | Low | 47.4 | Very low | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -51 | 178.1 | -71.7 | 178.2 | 0 | 0 | 0 | 111.5 | Y901 L904 L1023 L1031 L1092 L1093 S1096 | Y901-I1027 HydrophobicContact CD2-CD1 4.39Å; L904-I1027 HydrophobicContact CD1-CD1 4.24Å; L1023-I1027 HydrophobicContact CD1-CD1 3.77Å; L1023-I1027 HydrophobicContact CD1-CG1 4.02Å; L1023-I1027 HydrophobicContact CD2-CD1 4.27Å; L1023-I1027 HydrophobicContact CG-CD1 3.74Å; L1023-I1027 HydrophobicContact CG-CG1 4.3Å; L1023-I1027 WeakPolarHBondContact O-CB 3.24Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.18Å; L1023-I1027 PolarHBondContact O-N 2.95Å; I1027-L1031 HydrophobicContact CG2-CD1 4.31Å; I1027-L1031 VanDerWaalsContact O-CB 3.27Å; I1027-L1031 WeakPolarHBondContact O-CB 3.28Å; I1027-L1031 PolarHBondContact O-N 3.4Å; I1027-L1092 HydrophobicContact CD1-CD1 4.32Å; I1027-L1092 HydrophobicContact CG2-CD2 4.43Å; I1027-L1092 HydrophobicContact CG2-CG 4.35Å; I1027-L1093 HydrophobicContact CG2-CD2 4.13Å; I1027-S1096 WeakPolarHBondContact CG2-OG 3.06Å |
| 1028 | L | 53.5 | Low | 46.6 | Very low | 37 Ų | 37 | 72.3 Ų | 72.3 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71 | -36.8 | -174 | -64.1 | 173.9 | 0 | 0 | 0 | 112.3 | P1024 I1025 T1032 L1093 R1097 | P1024-L1028 WeakPolarHBondContact O-CB 3.21Å; P1024-L1028 WeakPolarHBondContact O-CD1 3.05Å; P1024-L1028 WeakPolarHBondContact O-CG 3.3Å; P1024-L1028 PolarHBondContact O-N 3.22Å; I1025-L1028 PolarHBondContact O-N 3.06Å; L1028-T1032 HydrophobicContact CB-CG2 4.36Å; L1028-T1032 HydrophobicContact CD2-CG2 4Å; L1028-T1032 WeakPolarHBondContact O-CB 3.25Å; L1028-T1032 VanDerWaalsContact O-CG2 3.28Å; L1028-T1032 WeakPolarHBondContact O-CG2 3.37Å; L1028-T1032 PolarHBondContact O-N 3.46Å; L1028-T1032 PolarHBondContact O-OG1 3.16Å; L1028-L1093 HydrophobicContact CD2-CB 4.42Å; L1028-L1093 HydrophobicContact CD2-CD2 3.91Å; L1028-L1093 WeakPolarHBondContact CD2-O 3.44Å; L1028-R1097 HydrophobicContact CD1-CG 3.69Å; L1028-R1097 HydrophobicContact CD2-CG 3.76Å; L1028-R1097 HydrophobicContact CG-CG 4.4Å |
| 1029 | G | 46.1 | Very low | 46 | Very low | 28 Ų | 28 | 67.2 Ų | 67.2 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.6 | -36.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1025 | I1025-G1029 WeakPolarHBondContact O-CA 3.46Å; I1025-G1029 PolarHBondContact O-N 3.48Å |
| 1030 | R | 51.1 | Low | 45.3 | Very low | 95 Ų | 95 | 70.2 Ų | 70.2 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -92.7 | -20.8 | -178.7 | -62.1 | -170.5 | -170.6 | 93.2 | 21.9 | 115.1 | C1008 D1026 | C1008-R1030 HydrophobicContact CB-CB 4.33Å; C1008-R1030 PolarHBondContact O-NH1 2.85Å; D1026-R1030 WeakPolarHBondContact O-CB 3.4Å; D1026-R1030 WeakPolarHBondContact O-CG 3.38Å; D1026-R1030 PolarHBondContact O-N 2.89Å; D1026-R1030 IonicContact OD1-CZ 3.64Å; D1026-R1030 IonicContact OD1-NH1 3.8Å; D1026-R1030 PolarHBondContact OD1-NH1 3.27Å; D1026-R1030 IonicContact OD1-NH2 3.93Å; D1026-R1030 PolarHBondContact OD1-NH2 3.43Å |
| 1031 | L | 51.8 | Low | 44.2 | Very low | 22 Ų | 22 | 73.5 Ų | 73.5 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -118.9 | -7.8 | -169.4 | -56.9 | -178.8 | 0 | 0 | 0 | 116.1 | K1004 V1005 C1008 I1027 L1089 L1093 | K1004-L1031 HydrophobicContact CB-CD2 3.75Å; V1005-L1031 HydrophobicContact CG2-CD1 3.89Å; C1008-L1031 HydrophobicContact CB-CD1 4.25Å; C1008-L1031 HydrophobicContact CB-CD2 4.23Å; C1008-L1031 HydrophobicContact CB-CG 4.27Å; I1027-L1031 HydrophobicContact CG2-CD1 4.31Å; I1027-L1031 VanDerWaalsContact O-CB 3.27Å; I1027-L1031 WeakPolarHBondContact O-CB 3.28Å; I1027-L1031 PolarHBondContact O-N 3.4Å; L1031-L1089 HydrophobicContact CB-CD1 4.44Å; L1031-L1089 HydrophobicContact CD1-CD1 4.05Å; L1031-L1093 HydrophobicContact CB-CD2 3.94Å |
| 1032 | T | 46.1 | Very low | 42.9 | Very low | 47 Ų | 47 | 81.8 Ų | 81.8 | 29% | 0.288 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 135.5 | 177.9 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | L1028 L1093 | L1028-T1032 HydrophobicContact CB-CG2 4.36Å; L1028-T1032 HydrophobicContact CD2-CG2 4Å; L1028-T1032 WeakPolarHBondContact O-CB 3.25Å; L1028-T1032 VanDerWaalsContact O-CG2 3.28Å; L1028-T1032 WeakPolarHBondContact O-CG2 3.37Å; L1028-T1032 PolarHBondContact O-N 3.46Å; L1028-T1032 PolarHBondContact O-OG1 3.16Å; T1032-L1093 HydrophobicContact CG2-CD1 4.18Å; T1032-L1093 HydrophobicContact CG2-CD2 3.7Å; T1032-L1093 HydrophobicContact CG2-CG 4.43Å |
| 1033 | K | 39.9 | Very low | 41.9 | Very low | 199 Ų | 199 | 92.1 Ų | 92.1 | 87% | 0.865 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -103.1 | 144.3 | 173.2 | -71.3 | -164.5 | 171.3 | -162.5 | 0 | 112.2 | ||
| 1034 | I | 26.7 | Very low | 40.3 | Very low | 115 Ų | 115 | 97 Ų | 97 | 59% | 0.59 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 136.4 | 179.8 | -59.7 | 174.7 | 0 | 0 | 0 | 111.1 | Q1036 | I1034-Q1036 PolarHBondContact O-N 3.03Å; I1034-Q1036 VanDerWaalsContact O-N 3.12Å |
| 1035 | Y | 27.2 | Very low | 38.8 | Very low | 187 Ų | 187 | 107.2 Ų | 107.2 | 73% | 0.733 | 50% | 0.503 | S | S | * | . | trans | -73.7 | 99.1 | 179.1 | -175.3 | -91.6 | 0 | 0 | 0 | 111.7 | P1037 | Y1035-P1037 HydrophobicContact CE1-CB 4.18Å; Y1035-P1037 WeakPolarHBondContact O-CD 3.36Å | ||
| 1036 | Q | 25.8 | Very low | 37.7 | Very low | 166 Ų | 166 | 113.1 Ų | 113.1 | 78% | 0.776 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 118.6 | 166.1 | -67.8 | -168.4 | 1 | 0 | 0 | 110.1 | I1034 | I1034-Q1036 PolarHBondContact O-N 3.03Å; I1034-Q1036 VanDerWaalsContact O-N 3.12Å |
| 1037 | P | 28.4 | Very low | 36.4 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 138.9 | -179.2 | 27.6 | -34.2 | 0 | 0 | 0 | 111.5 | Y1035 | Y1035-P1037 HydrophobicContact CE1-CB 4.18Å; Y1035-P1037 WeakPolarHBondContact O-CD 3.36Å |
| 1038 | P | 30.6 | Very low | 34.7 | Very low | 52 Ų | 52 | 130.4 Ų | 130.4 | 34% | 0.338 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 142.9 | -168.6 | 22.4 | -33.7 | 0 | 0 | 0 | 114 | Y1040 L1041 | P1038-Y1040 HydrophobicContact CB-CD1 4.03Å; P1038-Y1040 HydrophobicContact CB-CE1 3.72Å; P1038-Y1040 HydrophobicContact CG-CD1 4.33Å; P1038-Y1040 HydrophobicContact CG-CE1 3.6Å; P1038-Y1040 PolarHBondContact O-N 2.6Å; P1038-L1041 PolarHBondContact O-N 2.9Å; P1038-L1041 VanDerWaalsContact O-N 3.12Å |
| 1039 | S | 31.2 | Very low | 33.3 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -55.6 | -24.7 | -162.5 | 58.1 | 0 | 0 | 0 | 0 | 116.4 | L1041 R1042 | S1039-L1041 PolarHBondContact O-N 2.82Å; S1039-R1042 WeakPolarHBondContact O-CB 3.25Å; S1039-R1042 PolarHBondContact O-N 3.16Å |
| 1040 | Y | 36.9 | Very low | 32.2 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -62.1 | -23.3 | 178.4 | 64.8 | -97.2 | 0 | 0 | 0 | 113.5 | P1038 | P1038-Y1040 HydrophobicContact CB-CD1 4.03Å; P1038-Y1040 HydrophobicContact CB-CE1 3.72Å; P1038-Y1040 HydrophobicContact CG-CD1 4.33Å; P1038-Y1040 HydrophobicContact CG-CE1 3.6Å; P1038-Y1040 PolarHBondContact O-N 2.6Å |
| 1041 | L | 34.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -76 | -19 | 173.4 | -70.1 | 174.2 | 0 | 0 | 0 | 113.9 | P1038 S1039 T1044 | P1038-L1041 PolarHBondContact O-N 2.9Å; P1038-L1041 VanDerWaalsContact O-N 3.12Å; S1039-L1041 PolarHBondContact O-N 2.82Å; L1041-T1044 PolarHBondContact O-OG1 3.28Å |
| 1042 | R | 31.8 | Very low | 29.5 | Very low | 201 Ų | 201 | 149.3 Ų | 149.3 | 76% | 0.758 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -40.2 | 174.8 | -72.7 | -172 | 174.9 | -173.2 | -1.3 | 111.7 | S1039 T1044 R1045 | S1039-R1042 WeakPolarHBondContact O-CB 3.25Å; S1039-R1042 PolarHBondContact O-N 3.16Å; R1042-T1044 VanDerWaalsContact C-N 3.29Å; R1042-T1044 PolarHBondContact O-N 3.33Å; R1042-R1045 PolarHBondContact O-N 2.69Å; R1042-R1045 VanDerWaalsContact O-N 3.15Å |
| 1043 | R | 31.3 | Very low | 28.5 | Very low | 231 Ų | 231 | 152.1 Ų | 152.1 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -21.5 | -172.6 | -87.8 | -171.4 | 172.3 | -178.2 | -1.2 | 115.2 | ||
| 1044 | T | 31.2 | Very low | 28.1 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 63% | 0.632 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -9.5 | 175.6 | 37.1 | 0 | 0 | 0 | 0 | 115 | L1041 R1042 | L1041-T1044 PolarHBondContact O-OG1 3.28Å; R1042-T1044 VanDerWaalsContact C-N 3.29Å; R1042-T1044 PolarHBondContact O-N 3.33Å |
| 1045 | R | 26.5 | Very low | 27.8 | Very low | 222 Ų | 222 | 149.3 Ų | 149.3 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -27.7 | -178.3 | -100.4 | -175.5 | 173.3 | -179 | -1.8 | 115.1 | R1042 R1047 | R1042-R1045 PolarHBondContact O-N 2.69Å; R1042-R1045 VanDerWaalsContact O-N 3.15Å; R1045-R1047 PolarHBondContact O-N 2.74Å |
| 1046 | R | 27.5 | Very low | 27.6 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 25.2 | 178.9 | -91.2 | -169.2 | 176.1 | -173.8 | -1 | 114.3 | D2060 | R1046-D2060 IonicContact CZ-OD2 2.69Å; R1046-D2060 IonicContact NH2-OD2 2.87Å; R1046-D2060 PolarHBondContact NH2-OD2 3.1Å |
| 1047 | R | 26.3 | Very low | 27.5 | Very low | 228 Ų | 228 | 150 Ų | 150 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.8 | 15.7 | 178.9 | -119.9 | -177.3 | -165.8 | -160.2 | 3.5 | 118 | R1045 | R1045-R1047 PolarHBondContact O-N 2.74Š|
| 1048 | L | 24.5 | Very low | 27.2 | Very low | 149 Ų | 149 | 158 Ų | 158 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | -128.7 | 29.3 | 176.5 | -78.6 | 168.2 | 0 | 0 | 0 | 113.3 | T1050 | L1048-T1050 PolarHBondContact O-N 3.06Š| ||
| 1049 | S | 23.5 | Very low | 27 | Very low | 109 Ų | 109 | 160.3 Ų | 160.3 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -86 | 54.7 | 170.6 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1050 | T | 24 | Very low | 26.6 | Very low | 106 Ų | 106 | 163.2 Ų | 163.2 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -164.2 | 161.1 | 171.7 | 6.3 | 0 | 0 | 0 | 0 | 109 | L1048 | L1048-T1050 PolarHBondContact O-N 3.06Š| ||
| 1051 | Y | 23.7 | Very low | 26.1 | Very low | 223 Ų | 223 | 159.6 Ų | 159.6 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | 72.3 | 71.1 | -174.3 | -61.8 | -79.1 | 0 | 0 | 0 | 116 | ||||
| 1052 | T | 22 | Very low | 25.6 | Very low | 140 Ų | 140 | 163.2 Ų | 163.2 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -64.5 | 126.3 | 146.9 | 38.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1053 | S | 24.5 | Very low | 25.3 | Very low | 106 Ų | 106 | 160.5 Ų | 160.5 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -178 | 130 | 139.2 | 33.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1054 | P | 30.9 | Very low | 25.2 | Very low | 120 Ų | 120 | 156.9 Ų | 156.9 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -95.3 | 132.5 | -178.3 | 34.5 | -31.7 | 0 | 0 | 0 | 112.2 | ||||
| 1055 | T | 21.5 | Very low | 25.1 | Very low | 136 Ų | 136 | 156.2 Ų | 156.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -169 | 145.4 | 148 | 5.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1056 | S | 23.7 | Very low | 25.1 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 69.8 | 135.7 | 162.4 | 78.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1057 | R | 22.8 | Very low | 25.1 | Very low | 245 Ų | 245 | 153.7 Ų | 153.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -77.7 | 145.5 | 175 | -52.9 | 165.2 | -178.9 | 162.9 | -2 | 110.2 | ||||
| 1058 | R | 22.4 | Very low | 25.3 | Very low | 251 Ų | 251 | 150.5 Ų | 150.5 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | trans | -153.6 | 157.1 | 142.5 | -114.6 | 162.4 | -168.9 | -176.4 | 2.7 | 112.8 | ||||
| 1059 | S | 25 | Very low | 25.4 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -81 | 151.1 | -156.8 | 47.2 | 0 | 0 | 0 | 0 | 115.2 | S1061 | S1059-S1061 PolarHBondContact O-N 3.05Å; S1059-S1061 VanDerWaalsContact O-N 3.07Å | ||
| 1060 | V | 23.9 | Very low | 25.6 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | trans | -74 | 92.3 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1061 | S | 25.5 | Very low | 25.9 | Very low | 90 Ų | 90 | 155.3 Ų | 155.3 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | -162.7 | 83.6 | 171.1 | 58 | 0 | 0 | 0 | 0 | 112.3 | S1059 | S1059-S1061 PolarHBondContact O-N 3.05Å; S1059-S1061 VanDerWaalsContact O-N 3.07Å | ||
| 1062 | M | 24 | Very low | 26.2 | Very low | 177 Ų | 177 | 156 Ų | 156 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 178.1 | 33.3 | 157.4 | -101.2 | -59.8 | 173 | 0 | 0 | 114.6 | ||
| 1063 | L | 25.5 | Very low | 26.4 | Very low | 144 Ų | 144 | 160.9 Ų | 160.9 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -116.8 | 0.6 | -178.3 | -88.5 | 170 | 0 | 0 | 0 | 116.5 | S1065 | L1063-S1065 VanDerWaalsContact C-N 3.31Å; L1063-S1065 PolarHBondContact O-N 2.87Å | ||
| 1064 | N | 30.1 | Very low | 26.5 | Very low | 154 Ų | 154 | 167.1 Ų | 167.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | G | 310 helix | trans | -71.3 | -21 | -177.2 | -73.6 | 7.3 | 0 | 0 | 0 | 114.1 | K1066 | N1064-K1066 PolarHBondContact O-N 3.47Š|
| 1065 | S | 28.6 | Very low | 26.2 | Very low | 89 Ų | 89 | 167.9 Ų | 167.9 | 62% | 0.622 | 81% | 0.812 | S | S | * | * | G | 310 helix | trans | -83.3 | 3.8 | -173.8 | 53.7 | 0 | 0 | 0 | 0 | 115.9 | L1063 | L1063-S1065 VanDerWaalsContact C-N 3.31Å; L1063-S1065 PolarHBondContact O-N 2.87Å |
| 1066 | K | 27.3 | Very low | 26.8 | Very low | 165 Ų | 165 | 167.9 Ų | 167.9 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | G | 310 helix | trans | -115.3 | -2.3 | 177.7 | -87.1 | -171.8 | 174 | -178.5 | 0 | 116 | N1064 | N1064-K1066 PolarHBondContact O-N 3.47Š|
| 1067 | R | 28.1 | Very low | 26.9 | Very low | 216 Ų | 216 | 171.2 Ų | 171.2 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -80.4 | -32.3 | 175 | -89.3 | -174.8 | 167.3 | 178.5 | -4.2 | 113.9 | L1069 | R1067-L1069 PolarHBondContact O-N 3.29Š|
| 1068 | E | 28.9 | Very low | 27.3 | Very low | 161 Ų | 161 | 167.8 Ų | 167.8 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | G | 310 helix | trans | -70.3 | -33.3 | -174.9 | -62.6 | -171.9 | 127.6 | 0 | 0 | 114 | I1070 H1071 | E1068-I1070 PolarHBondContact O-N 3.31Å; E1068-H1071 PolarHBondContact O-N 3Å |
| 1069 | L | 27.6 | Very low | 27.7 | Very low | 155 Ų | 155 | 164.7 Ų | 164.7 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | G | 310 helix | trans | -70.4 | -13.8 | -174.6 | -95.7 | 165.4 | 0 | 0 | 0 | 115 | R1067 | R1067-L1069 PolarHBondContact O-N 3.29Š|
| 1070 | I | 27.6 | Very low | 28 | Very low | 141 Ų | 141 | 168.7 Ų | 168.7 | 72% | 0.723 | 81% | 0.813 | S | S | * | * | G | 310 helix | trans | -88.6 | -20.6 | 177.7 | -61.6 | 179.6 | 0 | 0 | 0 | 111.4 | E1068 R1072 | E1068-I1070 PolarHBondContact O-N 3.31Å; I1070-R1072 PolarHBondContact O-N 2.88Å; I1070-R1072 VanDerWaalsContact O-N 3.1Å |
| 1071 | H | 30.7 | Very low | 28.7 | Very low | 169 Ų | 169 | 167.3 Ų | 167.3 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -3 | -172.3 | -112.1 | -73.6 | 0 | 0 | 0 | 115.9 | E1068 | E1068-H1071 PolarHBondContact O-N 3Š|
| 1072 | R | 30.3 | Very low | 29.7 | Very low | 238 Ų | 238 | 169 Ų | 169 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 13.6 | -175.8 | -78.3 | -169 | 172.5 | -172.2 | -1.5 | 116 | I1070 | I1070-R1072 PolarHBondContact O-N 2.88Å; I1070-R1072 VanDerWaalsContact O-N 3.1Å |
| 1073 | R | 24.7 | Very low | 31.9 | Very low | 241 Ų | 241 | 164.5 Ų | 164.5 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -135.6 | 48 | 174.2 | -71.9 | -167.9 | 173.5 | -178 | -2.2 | 114 | ||
| 1074 | R | 26.3 | Very low | 34.4 | Very low | 237 Ų | 237 | 162.6 Ų | 162.6 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -142.4 | 86.6 | 162.8 | -80 | -167.9 | 176.2 | -176.7 | -2.9 | 111.1 | ||||
| 1075 | V | 26.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 157.2 Ų | 157.2 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -143.7 | 147.1 | 157.2 | -177 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1076 | T | 32 | Very low | 39.1 | Very low | 137 Ų | 137 | 158.6 Ų | 158.6 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | trans | 81.1 | 51.6 | -173.3 | 83.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1077 | E | 26.6 | Very low | 41.7 | Very low | 191 Ų | 191 | 154.2 Ų | 154.2 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -123.9 | 138.6 | 145.7 | -75.4 | -174.7 | 151.5 | 0 | 0 | 108.3 | ||
| 1078 | I | 32.5 | Very low | 44.4 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 132.3 | -159.7 | -63.5 | 159.9 | 0 | 0 | 0 | 111.6 | K1080 | I1078-K1080 PolarHBondContact O-N 2.82Š|
| 1079 | E | 30.7 | Very low | 47 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 116.4 | 179.6 | -64.2 | -179.5 | 156.5 | 0 | 0 | 111.2 | ||
| 1080 | K | 31.1 | Very low | 49.5 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 140.2 | 158.8 | -67.7 | -170.1 | 176.5 | -171.9 | 0 | 108.2 | I1078 L1082 | I1078-K1080 PolarHBondContact O-N 2.82Å; K1080-L1082 PolarHBondContact O-N 2.91Å |
| 1081 | P | 38 | Very low | 52.2 | Low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 135.2 | -177.1 | 24.8 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 1082 | L | 46.5 | Very low | 54.8 | Low | 127 Ų | 127 | 125.3 Ų | 125.3 | 67% | 0.665 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137.2 | 173.4 | -84.5 | 69.6 | 0 | 0 | 0 | 109.9 | K1080 I1084 | K1080-L1082 PolarHBondContact O-N 2.91Å; L1082-I1084 PolarHBondContact O-N 3.2Å; L1082-I1084 VanDerWaalsContact O-N 3.15Å |
| 1083 | N | 70.2 | Confident | 56.8 | Low | 81 Ų | 81 | 114.4 Ų | 114.4 | 43% | 0.433 | 55% | 0.554 | S | S | . | * | trans | -77.9 | 98 | 170.6 | 179.5 | -4.4 | 0 | 0 | 0 | 109.6 | Y1085 K1086 D1087 | N1083-Y1085 VanDerWaalsContact C-N 3.25Å; N1083-Y1085 PolarHBondContact O-N 2.79Å; N1083-Y1085 PolarHBondContact OD1-N 3.29Å; N1083-K1086 HydrophobicContact CB-CB 4.37Å; N1083-K1086 WeakPolarHBondContact O-CB 3.4Å; N1083-K1086 PolarHBondContact O-N 3.5Å; N1083-K1086 VanDerWaalsContact O-N 3.08Å; N1083-D1087 PolarHBondContact O-N 3.31Å | ||
| 1084 | I | 77.5 | Confident | 59.2 | Low | 105 Ų | 105 | 107.2 Ų | 107.2 | 54% | 0.538 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.1 | -36.6 | -176.5 | -61.1 | 170 | 0 | 0 | 0 | 112.3 | L1082 K1086 D1087 L1088 | L1082-I1084 PolarHBondContact O-N 3.2Å; L1082-I1084 VanDerWaalsContact O-N 3.15Å; I1084-K1086 VanDerWaalsContact C-N 3.27Å; I1084-K1086 PolarHBondContact O-N 2.99Å; I1084-D1087 PolarHBondContact O-N 2.76Å; I1084-L1088 HydrophobicContact CG2-CD1 4.32Å; I1084-L1088 HydrophobicContact CG2-CG 4.46Å; I1084-L1088 WeakPolarHBondContact O-CG 3.49Å; I1084-L1088 PolarHBondContact O-N 2.81Å |
| 1085 | Y | 80.2 | Confident | 61.6 | Low | 41 Ų | 41 | 99.2 Ų | 99.2 | 16% | 0.161 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -68.6 | -27.6 | -178.8 | -52.6 | -60.3 | 0 | 0 | 0 | 112.9 | E891 Y894 P999 N1083 L1088 L1089 | E891-Y1085 VanDerWaalsContact CD-OH 3.3Å; E891-Y1085 PolarHBondContact OE1-OH 3.42Å; E891-Y1085 VanDerWaalsContact OE2-CE1 3.28Å; E891-Y1085 WeakPolarHBondContact OE2-CE1 3.44Å; E891-Y1085 VanDerWaalsContact OE2-CZ 3.31Å; E891-Y1085 PolarHBondContact OE2-OH 3.35Å; Y894-Y1085 HydrophobicContact CD2-CD1 4.38Å; Y894-Y1085 AromaticContact CD2-CE1 3.78Å; Y894-Y1085 HydrophobicContact CD2-CE1 3.78Å; Y894-Y1085 HydrophobicContact CE2-CE1 4.46Å; Y894-Y1085 HydrophobicContact CG-CE1 4.38Å; P999-Y1085 HydrophobicContact CB-CD1 4.38Å; P999-Y1085 HydrophobicContact CB-CD2 3.52Å; P999-Y1085 HydrophobicContact CB-CE2 4.01Å; P999-Y1085 HydrophobicContact CB-CG 3.73Å; P999-Y1085 HydrophobicContact CG-CD1 3.97Å; P999-Y1085 HydrophobicContact CG-CD2 3.98Å; P999-Y1085 HydrophobicContact CG-CE1 4.31Å; P999-Y1085 HydrophobicContact CG-CE2 4.27Å; P999-Y1085 HydrophobicContact CG-CG 3.82Å; N1083-Y1085 VanDerWaalsContact C-N 3.25Å; N1083-Y1085 PolarHBondContact O-N 2.79Å; N1083-Y1085 PolarHBondContact OD1-N 3.29Å; Y1085-L1088 HydrophobicContact CD1-CD1 4.21Å; Y1085-L1088 PolarHBondContact O-N 3.31Å; Y1085-L1089 PolarHBondContact O-N 3.13Å |
| 1086 | K | 77.5 | Confident | 63.5 | Low | 118 Ų | 118 | 92.7 Ų | 92.7 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 172.5 | -170.5 | -174.6 | 172.9 | -169.3 | 0 | 111.1 | N1083 I1084 L1088 L1089 D1090 | N1083-K1086 HydrophobicContact CB-CB 4.37Å; N1083-K1086 WeakPolarHBondContact O-CB 3.4Å; N1083-K1086 PolarHBondContact O-N 3.5Å; N1083-K1086 VanDerWaalsContact O-N 3.08Å; I1084-K1086 VanDerWaalsContact C-N 3.27Å; I1084-K1086 PolarHBondContact O-N 2.99Å; K1086-L1088 VanDerWaalsContact C-N 3.27Å; K1086-L1088 PolarHBondContact O-N 2.68Å; K1086-L1089 PolarHBondContact O-N 3.03Å; K1086-D1090 PolarHBondContact O-N 2.99Å |
| 1087 | D | 81.6 | Confident | 64.8 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.5 | -30.9 | 175.4 | -71.1 | 5 | 0 | 0 | 0 | 111.8 | N1083 I1084 K1091 | N1083-D1087 PolarHBondContact O-N 3.31Å; I1084-D1087 PolarHBondContact O-N 2.76Å; D1087-K1091 WeakPolarHBondContact O-CB 3.4Å; D1087-K1091 WeakPolarHBondContact O-CD 3.37Å; D1087-K1091 WeakPolarHBondContact O-CG 3.49Å; D1087-K1091 PolarHBondContact O-N 3.21Å |
| 1088 | L | 86.2 | Confident | 66.4 | Low | 18 Ų | 18 | 90.5 Ų | 90.5 | 9% | 0.094 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | 171 | -71.3 | 174.9 | 0 | 0 | 0 | 112.1 | F899 I1084 Y1085 K1086 K1091 L1092 | F899-L1088 HydrophobicContact CB-CB 3.86Å; F899-L1088 HydrophobicContact CD2-CB 3.71Å; F899-L1088 HydrophobicContact CD2-CD1 4.02Å; F899-L1088 HydrophobicContact CD2-CG 4.48Å; F899-L1088 HydrophobicContact CE2-CB 4.43Å; F899-L1088 HydrophobicContact CG-CB 3.78Å; I1084-L1088 HydrophobicContact CG2-CD1 4.32Å; I1084-L1088 HydrophobicContact CG2-CG 4.46Å; I1084-L1088 WeakPolarHBondContact O-CG 3.49Å; I1084-L1088 PolarHBondContact O-N 2.81Å; Y1085-L1088 HydrophobicContact CD1-CD1 4.21Å; Y1085-L1088 PolarHBondContact O-N 3.31Å; K1086-L1088 VanDerWaalsContact C-N 3.27Å; K1086-L1088 PolarHBondContact O-N 2.68Å; L1088-K1091 HydrophobicContact CD2-CD 4.3Å; L1088-K1091 WeakPolarHBondContact O-CB 3.46Å; L1088-K1091 PolarHBondContact O-N 3.05Å; L1088-L1092 PolarHBondContact O-N 3.29Å |
| 1089 | L | 82.7 | Confident | 67.6 | Low | 18 Ų | 18 | 84.5 Ų | 84.5 | 9% | 0.094 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 173.7 | 178.8 | 59.7 | 0 | 0 | 0 | 111.7 | F899 E1001 V1005 L1031 Y1085 K1086 K1091 L1092 L1093 | F899-L1089 HydrophobicContact CD1-CB 4.29Å; F899-L1089 HydrophobicContact CD1-CD1 4.43Å; F899-L1089 HydrophobicContact CE1-CB 4.13Å; F899-L1089 HydrophobicContact CE1-CD1 4.3Å; E1001-L1089 HydrophobicContact CB-CD2 4.47Å; E1001-L1089 HydrophobicContact CG-CB 4.38Å; E1001-L1089 HydrophobicContact CG-CD2 4Å; V1005-L1089 HydrophobicContact CG2-CD1 4.27Å; L1031-L1089 HydrophobicContact CB-CD1 4.44Å; L1031-L1089 HydrophobicContact CD1-CD1 4.05Å; Y1085-L1089 PolarHBondContact O-N 3.13Å; K1086-L1089 PolarHBondContact O-N 3.03Å; L1089-K1091 VanDerWaalsContact C-N 3.29Å; L1089-K1091 PolarHBondContact O-N 2.94Å; L1089-L1092 HydrophobicContact CD1-CD2 4.38Å; L1089-L1092 WeakPolarHBondContact O-CB 3.29Å; L1089-L1092 PolarHBondContact O-N 2.87Å; L1089-L1093 HydrophobicContact CG-CD1 4.49Å; L1089-L1093 WeakPolarHBondContact O-CG 3.41Å; L1089-L1093 PolarHBondContact O-N 2.89Å |
| 1090 | D | 81.1 | Confident | 68.5 | Low | 77 Ų | 77 | 75.9 Ų | 75.9 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -33.3 | 176 | -78.6 | -33.2 | 0 | 0 | 0 | 111.7 | K1086 V1094 | K1086-D1090 PolarHBondContact O-N 2.99Å; D1090-V1094 WeakPolarHBondContact O-CG2 3.49Å; D1090-V1094 PolarHBondContact O-N 3.06Å |
| 1091 | K | 83.9 | Confident | 69.2 | Low | 123 Ų | 123 | 72.5 Ų | 72.5 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 169.2 | -76.1 | 164.9 | -171.5 | 170.5 | 0 | 112.5 | D1087 L1088 L1089 L1093 V1094 Q1095 | D1087-K1091 WeakPolarHBondContact O-CB 3.4Å; D1087-K1091 WeakPolarHBondContact O-CD 3.37Å; D1087-K1091 WeakPolarHBondContact O-CG 3.49Å; D1087-K1091 PolarHBondContact O-N 3.21Å; L1088-K1091 HydrophobicContact CD2-CD 4.3Å; L1088-K1091 WeakPolarHBondContact O-CB 3.46Å; L1088-K1091 PolarHBondContact O-N 3.05Å; L1089-K1091 VanDerWaalsContact C-N 3.29Å; L1089-K1091 PolarHBondContact O-N 2.94Å; K1091-L1093 VanDerWaalsContact C-N 3.3Å; K1091-L1093 PolarHBondContact O-N 2.81Å; K1091-V1094 PolarHBondContact O-N 2.89Å; K1091-V1094 VanDerWaalsContact O-N 3.17Å; K1091-Q1095 WeakPolarHBondContact O-CG 3.32Å; K1091-Q1095 PolarHBondContact O-N 2.81Å |
| 1092 | L | 84.1 | Confident | 69.6 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56 | -47 | 175.5 | 176.5 | 65.3 | 0 | 0 | 0 | 110.2 | F899 L904 V1005 I1027 L1088 L1089 V1094 Q1095 S1096 | F899-L1092 HydrophobicContact CB-CB 4.38Å; F899-L1092 HydrophobicContact CD1-CD2 4.24Å; L904-L1092 HydrophobicContact CD1-CD1 4.17Å; V1005-L1092 HydrophobicContact CG2-CD2 3.94Å; I1027-L1092 HydrophobicContact CD1-CD1 4.32Å; I1027-L1092 HydrophobicContact CG2-CD2 4.43Å; I1027-L1092 HydrophobicContact CG2-CG 4.35Å; L1088-L1092 PolarHBondContact O-N 3.29Å; L1089-L1092 HydrophobicContact CD1-CD2 4.38Å; L1089-L1092 WeakPolarHBondContact O-CB 3.29Å; L1089-L1092 PolarHBondContact O-N 2.87Å; L1092-V1094 PolarHBondContact O-N 3.12Å; L1092-Q1095 PolarHBondContact O-N 2.96Å; L1092-S1096 WeakPolarHBondContact O-CB 3.15Å; L1092-S1096 PolarHBondContact O-N 2.8Å; L1092-S1096 PolarHBondContact O-OG 2.96Å |
| 1093 | L | 74 | Confident | 69.5 | Low | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 177 | -66.7 | 175.6 | 0 | 0 | 0 | 112.7 | I1027 L1028 L1031 T1032 L1089 K1091 R1097 | I1027-L1093 HydrophobicContact CG2-CD2 4.13Å; L1028-L1093 HydrophobicContact CD2-CB 4.42Å; L1028-L1093 HydrophobicContact CD2-CD2 3.91Å; L1028-L1093 WeakPolarHBondContact CD2-O 3.44Å; L1031-L1093 HydrophobicContact CB-CD2 3.94Å; T1032-L1093 HydrophobicContact CG2-CD1 4.18Å; T1032-L1093 HydrophobicContact CG2-CD2 3.7Å; T1032-L1093 HydrophobicContact CG2-CG 4.43Å; L1089-L1093 HydrophobicContact CG-CD1 4.49Å; L1089-L1093 WeakPolarHBondContact O-CG 3.41Å; L1089-L1093 PolarHBondContact O-N 2.89Å; K1091-L1093 VanDerWaalsContact C-N 3.3Å; K1091-L1093 PolarHBondContact O-N 2.81Å; L1093-R1097 WeakPolarHBondContact O-CG 3.45Å; L1093-R1097 PolarHBondContact O-N 3.26Å; L1093-R1097 VanDerWaalsContact O-N 3.09Å |
| 1094 | V | 74.4 | Confident | 67.8 | Low | 89 Ų | 89 | 68.6 Ų | 68.6 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | D1090 K1091 L1092 R1097 Y1098 | D1090-V1094 WeakPolarHBondContact O-CG2 3.49Å; D1090-V1094 PolarHBondContact O-N 3.06Å; K1091-V1094 PolarHBondContact O-N 2.89Å; K1091-V1094 VanDerWaalsContact O-N 3.17Å; L1092-V1094 PolarHBondContact O-N 3.12Å; V1094-R1097 PolarHBondContact O-N 2.8Å; V1094-Y1098 WeakPolarHBondContact O-CB 3.41Å; V1094-Y1098 PolarHBondContact O-N 3.33Å |
| 1095 | Q | 76.2 | Confident | 65.9 | Low | 69 Ų | 69 | 67.8 Ų | 67.8 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 173.6 | -73.4 | -179.6 | -12 | 0 | 0 | 111.2 | K1091 L1092 R1097 Y1098 L1099 | K1091-Q1095 WeakPolarHBondContact O-CG 3.32Å; K1091-Q1095 PolarHBondContact O-N 2.81Å; L1092-Q1095 PolarHBondContact O-N 2.96Å; Q1095-R1097 VanDerWaalsContact C-N 3.31Å; Q1095-R1097 PolarHBondContact O-N 3.06Å; Q1095-Y1098 PolarHBondContact O-N 3.44Å; Q1095-L1099 WeakPolarHBondContact O-CB 3.39Å; Q1095-L1099 WeakPolarHBondContact O-CG 3.37Å; Q1095-L1099 PolarHBondContact O-N 3.06Å |
| 1096 | S | 66.9 | Low | 63.6 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | Y901 I1027 L1092 G1100 | Y901-S1096 WeakPolarHBondContact CD2-OG 3.42Å; I1027-S1096 WeakPolarHBondContact CG2-OG 3.06Å; L1092-S1096 WeakPolarHBondContact O-CB 3.15Å; L1092-S1096 PolarHBondContact O-N 2.8Å; L1092-S1096 PolarHBondContact O-OG 2.96Å; S1096-G1100 VanDerWaalsContact O-CA 3.3Å; S1096-G1100 WeakPolarHBondContact O-CA 3.36Å; S1096-G1100 PolarHBondContact O-N 3.47Å |
| 1097 | R | 59.8 | Low | 61.3 | Low | 130 Ų | 130 | 73 Ų | 73 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.4 | -58 | 170.8 | -73.6 | 172.2 | -176.3 | 150.9 | 1.7 | 111.4 | L1028 L1093 V1094 Q1095 L1099 G1100 C1101 | L1028-R1097 HydrophobicContact CD1-CG 3.69Å; L1028-R1097 HydrophobicContact CD2-CG 3.76Å; L1028-R1097 HydrophobicContact CG-CG 4.4Å; L1093-R1097 WeakPolarHBondContact O-CG 3.45Å; L1093-R1097 PolarHBondContact O-N 3.26Å; L1093-R1097 VanDerWaalsContact O-N 3.09Å; V1094-R1097 PolarHBondContact O-N 2.8Å; Q1095-R1097 VanDerWaalsContact C-N 3.31Å; Q1095-R1097 PolarHBondContact O-N 3.06Å; R1097-L1099 PolarHBondContact O-N 3.23Å; R1097-G1100 PolarHBondContact O-N 3.36Å; R1097-C1101 PolarHBondContact O-N 3.44Å; R1097-C1101 PolarHBondContact O-SG 3.15Å |
| 1098 | Y | 59.2 | Low | 59 | Low | 152 Ų | 152 | 73.9 Ų | 73.9 | 60% | 0.596 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.8 | -37.1 | -171.7 | 174.9 | -113.1 | 0 | 0 | 0 | 113.8 | V1094 Q1095 K1102 | V1094-Y1098 WeakPolarHBondContact O-CB 3.41Å; V1094-Y1098 PolarHBondContact O-N 3.33Å; Q1095-Y1098 PolarHBondContact O-N 3.44Å; Y1098-K1102 PolarHBondContact OH-NZ 2.76Å |
| 1099 | L | 57.6 | Low | 56.2 | Low | 46 Ų | 46 | 76.3 Ų | 76.3 | 24% | 0.241 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -85.8 | -37.6 | 179.6 | -61 | 174.4 | 0 | 0 | 0 | 111.5 | Y901 Q1095 R1097 C1101 K1102 | Y901-L1099 HydrophobicContact CD1-CB 3.91Å; Y901-L1099 HydrophobicContact CD1-CD1 3.44Å; Y901-L1099 VanDerWaalsContact CD1-CD1 3.44Å; Y901-L1099 HydrophobicContact CD1-CG 4.3Å; Y901-L1099 HydrophobicContact CE1-CB 3.68Å; Y901-L1099 HydrophobicContact CE1-CD1 4.02Å; Y901-L1099 HydrophobicContact CG-CD1 4.31Å; Q1095-L1099 WeakPolarHBondContact O-CB 3.39Å; Q1095-L1099 WeakPolarHBondContact O-CG 3.37Å; Q1095-L1099 PolarHBondContact O-N 3.06Å; R1097-L1099 PolarHBondContact O-N 3.23Å; L1099-C1101 VanDerWaalsContact C-N 3.32Å; L1099-C1101 PolarHBondContact O-N 3.18Å; L1099-K1102 WeakPolarHBondContact O-CB 3.4Å; L1099-K1102 PolarHBondContact O-N 3.46Å |
| 1100 | G | 49.3 | Very low | 53.6 | Low | 7 Ų | 7 | 79.7 Ų | 79.7 | 7% | 0.072 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -32.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1024 S1096 R1097 K1102 Q1103 C1104 | P1024-G1100 VanDerWaalsContact CG-CA 3.41Å; S1096-G1100 VanDerWaalsContact O-CA 3.3Å; S1096-G1100 WeakPolarHBondContact O-CA 3.36Å; S1096-G1100 PolarHBondContact O-N 3.47Å; R1097-G1100 PolarHBondContact O-N 3.36Å; G1100-K1102 PolarHBondContact O-N 2.84Å; G1100-Q1103 PolarHBondContact O-N 3.48Å; G1100-C1104 PolarHBondContact O-N 2.94Å |
| 1101 | C | 46.7 | Very low | 51 | Low | 112 Ų | 112 | 82.9 Ų | 82.9 | 76% | 0.757 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.2 | 172.3 | -71.4 | 0 | 0 | 0 | 0 | 114 | R1097 L1099 | R1097-C1101 PolarHBondContact O-N 3.44Å; R1097-C1101 PolarHBondContact O-SG 3.15Å; L1099-C1101 VanDerWaalsContact C-N 3.32Å; L1099-C1101 PolarHBondContact O-N 3.18Å |
| 1102 | K | 45.6 | Very low | 48.1 | Very low | 140 Ų | 140 | 81.6 Ų | 81.6 | 61% | 0.609 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -4.2 | 175.3 | -56.5 | 179.2 | -175.8 | 176.4 | 0 | 113.3 | Y1098 L1099 G1100 | Y1098-K1102 PolarHBondContact OH-NZ 2.76Å; L1099-K1102 WeakPolarHBondContact O-CB 3.4Å; L1099-K1102 PolarHBondContact O-N 3.46Å; G1100-K1102 PolarHBondContact O-N 2.84Å |
| 1103 | Q | 44.2 | Very low | 45.3 | Very low | 63 Ų | 63 | 87.7 Ų | 87.7 | 29% | 0.294 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.5 | -11.9 | -161.4 | -66.3 | 179.5 | -21.9 | 0 | 0 | 114.7 | Y901 Y905 G1100 | Y901-Q1103 PolarHBondContact OH-OE1 2.76Å; Y905-Q1103 VanDerWaalsContact CE1-NE2 3.31Å; Y905-Q1103 VanDerWaalsContact CZ-NE2 3.3Å; Y905-Q1103 PolarHBondContact OH-NE2 3.12Å; G1100-Q1103 PolarHBondContact O-N 3.48Å |
| 1104 | C | 36.2 | Very low | 43 | Very low | 51 Ų | 51 | 94.4 Ų | 94.4 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | trans | -129.1 | 151.2 | -175.6 | -169.5 | 0 | 0 | 0 | 0 | 113.1 | G1100 | G1100-C1104 PolarHBondContact O-N 2.94Š| ||
| 1105 | A | 36.3 | Very low | 40.9 | Very low | 89 Ų | 89 | 94.9 Ų | 94.9 | 74% | 0.736 | 52% | 0.517 | S | S | * | . | trans | -126.8 | 8 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1106 | L | 32.9 | Very low | 38.5 | Very low | 137 Ų | 137 | 95.7 Ų | 95.7 | 72% | 0.717 | 54% | 0.544 | S | S | * | . | trans | -117.6 | 131.6 | -178.2 | -68.2 | 171.9 | 0 | 0 | 0 | 110.9 | ||||
| 1107 | L | 29.6 | Very low | 36.6 | Very low | 130 Ų | 130 | 100.6 Ų | 100.6 | 68% | 0.681 | 58% | 0.578 | S | S | * | * | trans | -141.7 | 127.1 | -178.3 | -71.2 | 170.2 | 0 | 0 | 0 | 111.5 | I1139 | L1107-I1139 HydrophobicContact CD1-CD1 3.76Š| ||
| 1108 | P | 31.4 | Very low | 35 | Very low | 91 Ų | 91 | 97.2 Ų | 97.2 | 59% | 0.591 | 58% | 0.583 | S | S | * | * | trans | -79.2 | 162.3 | 176.2 | 32.9 | -34.7 | 0 | 0 | 0 | 112.6 | ||||
| 1109 | R | 29.2 | Very low | 33.6 | Very low | 69 Ų | 69 | 96.9 Ų | 96.9 | 26% | 0.26 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -79.1 | -16.2 | -167.1 | -85.2 | -171.2 | 164.1 | -167.4 | -4.6 | 117 | A1141 S1148 | R1109-A1141 PolarHBondContact NH2-O 2.96Å; R1109-A1141 VanDerWaalsContact NH2-O 3.09Å; R1109-S1148 PolarHBondContact NH1-OG 2.9Å; R1109-S1148 PolarHBondContact NH2-OG 2.55Å |
| 1110 | T | 26.3 | Very low | 32.1 | Very low | 89 Ų | 89 | 101 Ų | 101 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -144.6 | 142.7 | -169.5 | 34.4 | 0 | 0 | 0 | 0 | 112.9 | C1112 | T1110-C1112 VanDerWaalsContact C-N 3.33Å; T1110-C1112 PolarHBondContact O-N 3.29Å; T1110-C1112 VanDerWaalsContact O-N 3.11Å |
| 1111 | T | 26.5 | Very low | 30.9 | Very low | 144 Ų | 144 | 107 Ų | 107 | 88% | 0.883 | 64% | 0.639 | S | S | * | * | trans | -88.8 | 59.6 | -173.7 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1112 | C | 24.2 | Very low | 30 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | trans | -135.1 | 96.5 | 178.6 | -68.7 | 0 | 0 | 0 | 0 | 110.4 | T1110 | T1110-C1112 VanDerWaalsContact C-N 3.33Å; T1110-C1112 PolarHBondContact O-N 3.29Å; T1110-C1112 VanDerWaalsContact O-N 3.11Å | ||
| 1113 | F | 24.9 | Very low | 29.1 | Very low | 129 Ų | 129 | 104.5 Ų | 104.5 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | trans | -116.5 | 119.5 | 158.9 | -79.9 | -83.9 | 0 | 0 | 0 | 106.8 | ||||
| 1114 | D | 26.5 | Very low | 28.1 | Very low | 149 Ų | 149 | 109.3 Ų | 109.3 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | trans | -115.8 | 151.3 | 172.1 | -158.9 | -6.1 | 0 | 0 | 0 | 109 | ||||
| 1115 | S | 29.2 | Very low | 27.6 | Very low | 100 Ų | 100 | 112 Ų | 112 | 70% | 0.699 | 66% | 0.662 | S | S | * | * | trans | -141.4 | 95.3 | -165.6 | 64.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1116 | G | 27 | Very low | 27.2 | Very low | 86 Ų | 86 | 113.3 Ų | 113.3 | 89% | 0.887 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 172.1 | -12.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1117 | S | 25.4 | Very low | 26.8 | Very low | 103 Ų | 103 | 109.1 Ų | 109.1 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -131.7 | 162.2 | -179.6 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1118 | G | 27.4 | Very low | 26.9 | Very low | 58 Ų | 58 | 107.9 Ų | 107.9 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | trans | -60.4 | 164.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L1120 | G1118-L1120 PolarHBondContact O-N 2.94Š| ||
| 1119 | L | 29.1 | Very low | 27.1 | Very low | 145 Ų | 145 | 104.7 Ų | 104.7 | 76% | 0.759 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -12.5 | -166.1 | -86 | 80.5 | 0 | 0 | 0 | 117.2 | H1121 T1122 T1123 | L1119-H1121 PolarHBondContact O-N 3.01Å; L1119-T1122 PolarHBondContact O-N 2.92Å; L1119-T1122 PolarHBondContact O-OG1 2.9Å; L1119-T1123 PolarHBondContact O-OG1 2.86Å |
| 1120 | L | 25.7 | Very low | 27.7 | Very low | 133 Ų | 133 | 104.7 Ų | 104.7 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -34.4 | -179.2 | -117.2 | 165.5 | 0 | 0 | 0 | 113.1 | G1118 F1124 | G1118-L1120 PolarHBondContact O-N 2.94Å; L1120-F1124 HydrophobicContact CD2-CE2 4.13Å |
| 1121 | H | 24.8 | Very low | 28.5 | Very low | 134 Ų | 134 | 102.1 Ų | 102.1 | 62% | 0.62 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -27.7 | -177.9 | -123.2 | -62.9 | 0 | 0 | 0 | 114.3 | L1119 T1123 | L1119-H1121 PolarHBondContact O-N 3.01Å; H1121-T1123 VanDerWaalsContact C-N 3.26Å; H1121-T1123 PolarHBondContact O-N 2.92Å |
| 1122 | T | 27.4 | Very low | 29.5 | Very low | 88 Ų | 88 | 98.8 Ų | 98.8 | 54% | 0.54 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -23.1 | 177.6 | 32.5 | 0 | 0 | 0 | 0 | 113.4 | L1119 I1126 | L1119-T1122 PolarHBondContact O-N 2.92Å; L1119-T1122 PolarHBondContact O-OG1 2.9Å; T1122-I1126 WeakPolarHBondContact O-CD1 3.26Å; T1122-I1126 VanDerWaalsContact O-CG1 3.31Å; T1122-I1126 WeakPolarHBondContact O-CG1 3.37Å |
| 1123 | T | 26.2 | Very low | 30.7 | Very low | 110 Ų | 110 | 98.9 Ų | 98.9 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -23 | -175.6 | -36 | 0 | 0 | 0 | 0 | 113.5 | L1119 H1121 | L1119-T1123 PolarHBondContact O-OG1 2.86Å; H1121-T1123 VanDerWaalsContact C-N 3.26Å; H1121-T1123 PolarHBondContact O-N 2.92Å |
| 1124 | F | 23.8 | Very low | 32 | Very low | 164 Ų | 164 | 93.7 Ų | 93.7 | 72% | 0.719 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -32.2 | -169.3 | -90.8 | -82.7 | 0 | 0 | 0 | 115.5 | L1120 | L1120-F1124 HydrophobicContact CD2-CE2 4.13Š|
| 1125 | D | 26 | Very low | 33.1 | Very low | 107 Ų | 107 | 90.9 Ų | 90.9 | 57% | 0.572 | 55% | 0.554 | S | S | * | * | trans | -103.7 | 6.6 | -168.9 | -85.2 | -48.4 | 0 | 0 | 0 | 115.8 | G1127 | D1125-G1127 PolarHBondContact O-N 2.9Š| ||
| 1126 | I | 27.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 89.3 Ų | 89.3 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | trans | -77.1 | 67.9 | 175.8 | -39.8 | -177.1 | 0 | 0 | 0 | 110.9 | T1122 L1128 | T1122-I1126 WeakPolarHBondContact O-CD1 3.26Å; T1122-I1126 VanDerWaalsContact O-CG1 3.31Å; T1122-I1126 WeakPolarHBondContact O-CG1 3.37Å; I1126-L1128 HydrophobicContact CG2-CD2 3.73Å; I1126-L1128 HydrophobicContact CG2-CG 3.86Å; I1126-L1128 PolarHBondContact O-N 3.48Å | ||
| 1127 | G | 25.4 | Very low | 35.5 | Very low | 50 Ų | 50 | 89.9 Ų | 89.9 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | trans | -70.2 | 67.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1125 | D1125-G1127 PolarHBondContact O-N 2.9Š| ||
| 1128 | L | 30.8 | Very low | 36.8 | Very low | 104 Ų | 104 | 86.7 Ų | 86.7 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | trans | -58.7 | 132.7 | -174 | -69.1 | 176.3 | 0 | 0 | 0 | 113.6 | I1126 L1144 | I1126-L1128 HydrophobicContact CG2-CD2 3.73Å; I1126-L1128 HydrophobicContact CG2-CG 3.86Å; I1126-L1128 PolarHBondContact O-N 3.48Å; L1128-L1144 HydrophobicContact CB-CD1 3.57Å; L1128-L1144 HydrophobicContact CD1-CD1 4.34Å | ||
| 1129 | G | 35.2 | Very low | 38 | Very low | 24 Ų | 24 | 85.2 Ų | 85.2 | 25% | 0.247 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1131 V1142 | G1129-G1131 PolarHBondContact O-N 2.66Å; G1129-V1142 CarbonylContact C-O 3.57Å; G1129-V1142 VanDerWaalsContact C-O 3.32Å; G1129-V1142 WeakPolarHBondContact CA-O 3.41Å |
| 1130 | I | 41.2 | Very low | 39.3 | Very low | 69 Ų | 69 | 78.7 Ų | 78.7 | 35% | 0.354 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 118.8 | -179.4 | -55.4 | 173.6 | 0 | 0 | 0 | 108.4 | A1141 V1142 L1144 L1176 | I1130-A1141 WeakPolarHBondContact O-CA 3.45Å; I1130-V1142 PolarHBondContact N-O 2.86Å; I1130-V1142 PolarHBondContact O-N 3.29Å; I1130-L1144 HydrophobicContact CD1-CD2 3.76Å; I1130-L1144 HydrophobicContact CG1-CD2 3.72Å; I1130-L1176 HydrophobicContact CD1-CD1 4.46Å; I1130-L1176 HydrophobicContact CG2-CD1 4.41Å; I1130-L1176 HydrophobicContact CG2-CD2 3.67Å |
| 1131 | G | 44.7 | Very low | 40.6 | Very low | 35 Ų | 35 | 72.8 Ų | 72.8 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 148.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1129 L1140 | G1129-G1131 PolarHBondContact O-N 2.66Å; G1131-L1140 CarbonylContact C-O 3.56Å; G1131-L1140 WeakPolarHBondContact CA-O 3.29Å |
| 1132 | R | 47.7 | Very low | 41.8 | Very low | 74 Ų | 74 | 66.8 Ų | 66.8 | 28% | 0.279 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 135.6 | 170.8 | -173.6 | 174 | -177.9 | 169.9 | 7.5 | 111.5 | L1140 L1175 S1178 | R1132-L1140 PolarHBondContact N-O 3.46Å; R1132-L1140 PolarHBondContact O-N 3.11Å; R1132-L1175 PolarHBondContact NH1-O 3.17Å; R1132-S1178 VanDerWaalsContact CZ-O 3.26Å; R1132-S1178 PolarHBondContact NH1-O 3.19Å; R1132-S1178 PolarHBondContact NH2-O 2.69Å |
| 1133 | L | 47.7 | Very low | 42.8 | Very low | 98 Ų | 98 | 63 Ų | 63 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.6 | 170 | -175.5 | 65.7 | 0 | 0 | 0 | 110.6 | I1139 L1154 | L1133-I1139 HydrophobicContact CD1-CG1 3.96Å; L1133-L1154 HydrophobicContact CD1-CD2 3.73Å |
| 1134 | M | 52.7 | Low | 43.5 | Very low | 20 Ų | 20 | 61.4 Ų | 61.4 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | trans | -96.9 | 160.8 | 175.9 | -55.7 | -159.7 | -46.4 | 0 | 0 | 111.8 | N1136 N1137 L1138 L1140 F1226 | M1134-N1136 WeakPolarHBondContact CB-OD1 3.11Å; M1134-N1136 WeakPolarHBondContact CE-OD1 3.21Å; M1134-N1136 PolarHBondContact O-N 3.49Å; M1134-N1137 PolarHBondContact O-N 3.07Å; M1134-L1138 PolarHBondContact N-O 3.2Å; M1134-L1140 HydrophobicContact CG-CB 3.83Å; M1134-L1140 HydrophobicContact SD-CB 3.88Å; M1134-L1140 HydrophobicContact SD-CD2 4.04Å; M1134-L1140 HydrophobicContact SD-CG 4.38Å; M1134-F1226 HydrophobicContact CB-CE1 3.81Å; M1134-F1226 HydrophobicContact CB-CZ 4.06Å; M1134-F1226 HydrophobicContact CE-CD1 3.65Å; M1134-F1226 HydrophobicContact CE-CE1 3.68Å; M1134-F1226 HydrophobicContact SD-CD1 4.49Å; M1134-F1226 HydrophobicContact SD-CE1 4.26Å | ||
| 1135 | S | 49.2 | Very low | 44.6 | Very low | 90 Ų | 90 | 58.7 Ų | 58.7 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -1 | -176.2 | 62 | 0 | 0 | 0 | 0 | 115.8 | N1137 F1226 | S1135-N1137 VanDerWaalsContact C-N 3.33Å; S1135-F1226 WeakPolarHBondContact OG-CZ 3.28Å |
| 1136 | N | 56 | Low | 45.4 | Very low | 66 Ų | 66 | 54.1 Ų | 54.1 | 35% | 0.353 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 13.7 | 167 | 68.5 | -13.7 | 0 | 0 | 0 | 112.8 | M1134 L1138 F1226 | M1134-N1136 WeakPolarHBondContact CB-OD1 3.11Å; M1134-N1136 WeakPolarHBondContact CE-OD1 3.21Å; M1134-N1136 PolarHBondContact O-N 3.49Å; N1136-L1138 PolarHBondContact O-N 2.75Å; N1136-L1138 WeakPolarHBondContact OD1-CB 3.3Å; N1136-L1138 PolarHBondContact OD1-N 3.46Å; N1136-F1226 HydrophobicContact CB-CD1 4.26Å; N1136-F1226 HydrophobicContact CB-CE1 3.92Å |
| 1137 | N | 50.9 | Low | 46.4 | Very low | 99 Ų | 99 | 54.1 Ų | 54.1 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 59.7 | 24 | -175.2 | -60.5 | -14.4 | 0 | 0 | 0 | 114.7 | M1134 S1135 L1154 | M1134-N1137 PolarHBondContact O-N 3.07Å; S1135-N1137 VanDerWaalsContact C-N 3.33Å; N1137-L1154 HydrophobicContact CB-CD1 4.17Å; N1137-L1154 HydrophobicContact CB-CG 4.39Å |
| 1138 | L | 53.5 | Low | 47.9 | Very low | 35 Ų | 35 | 52.7 Ų | 52.7 | 18% | 0.183 | 30% | 0.296 | C | S | . | . | trans | -99.4 | 141.3 | 167.8 | -58.8 | -173.9 | 0 | 0 | 0 | 111.1 | M1134 N1136 L1140 W1151 Y1152 D1153 V1159 | M1134-L1138 PolarHBondContact N-O 3.2Å; N1136-L1138 PolarHBondContact O-N 2.75Å; N1136-L1138 WeakPolarHBondContact OD1-CB 3.3Å; N1136-L1138 PolarHBondContact OD1-N 3.46Å; L1138-L1140 PolarHBondContact O-N 3.44Å; L1138-W1151 HydrophobicContact CD1-CB 4.33Å; L1138-Y1152 CarbonylContact C-O 3.55Å; L1138-Y1152 VanDerWaalsContact CA-O 3.23Å; L1138-Y1152 WeakPolarHBondContact CA-O 3.38Å; L1138-Y1152 WeakPolarHBondContact CB-O 3.48Å; L1138-D1153 HydrophobicContact CD2-CB 4.24Å; L1138-V1159 HydrophobicContact CD1-CG1 4.08Å; L1138-V1159 HydrophobicContact CD2-CG2 4.08Å | ||
| 1139 | I | 51.2 | Low | 49.2 | Very low | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.138 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 103 | 174.5 | -55.6 | 165 | 0 | 0 | 0 | 107.7 | L1107 L1133 W1151 Y1152 | L1107-I1139 HydrophobicContact CD1-CD1 3.76Å; L1133-I1139 HydrophobicContact CD1-CG1 3.96Å; I1139-W1151 CarbonylContact O-C 3.42Å; I1139-W1151 WeakPolarHBondContact O-CA 3.4Å; I1139-Y1152 PolarHBondContact N-O 3.48Å; I1139-Y1152 PolarHBondContact O-N 2.89Å |
| 1140 | L | 56.6 | Low | 50.4 | Low | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133.1 | 169.9 | 176.7 | 72.8 | 0 | 0 | 0 | 108.7 | G1131 R1132 M1134 L1138 V1149 S1150 W1151 L1175 | G1131-L1140 CarbonylContact C-O 3.56Å; G1131-L1140 WeakPolarHBondContact CA-O 3.29Å; R1132-L1140 PolarHBondContact N-O 3.46Å; R1132-L1140 PolarHBondContact O-N 3.11Å; M1134-L1140 HydrophobicContact CG-CB 3.83Å; M1134-L1140 HydrophobicContact SD-CB 3.88Å; M1134-L1140 HydrophobicContact SD-CD2 4.04Å; M1134-L1140 HydrophobicContact SD-CG 4.38Å; L1138-L1140 PolarHBondContact O-N 3.44Å; L1140-V1149 HydrophobicContact CD1-CG1 3.56Å; L1140-S1150 CarbonylContact C-O 3.56Å; L1140-S1150 WeakPolarHBondContact CA-O 3.42Å; L1140-W1151 HydrophobicContact CD1-CD2 4.15Å; L1140-W1151 HydrophobicContact CD1-CG 4.43Å; L1140-W1151 HydrophobicContact CD1-CZ2 3.82Å; L1140-L1175 HydrophobicContact CD2-CD1 3.94Å; L1140-L1175 HydrophobicContact CD2-CD2 3.9Å |
| 1141 | A | 53.5 | Low | 51.3 | Low | 9 Ų | 9 | 43.9 Ų | 43.9 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 110 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1109 I1130 S1150 Y1152 | R1109-A1141 PolarHBondContact NH2-O 2.96Å; R1109-A1141 VanDerWaalsContact NH2-O 3.09Å; I1130-A1141 WeakPolarHBondContact O-CA 3.45Å; A1141-S1150 PolarHBondContact N-O 2.85Å; A1141-S1150 PolarHBondContact O-N 3.05Å; A1141-Y1152 HydrophobicContact CB-CD2 4.26Å; A1141-Y1152 HydrophobicContact CB-CE2 3.98Å |
| 1142 | V | 49.8 | Very low | 51.6 | Low | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.9 | -176.2 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | G1129 I1130 S1148 V1149 M1172 | G1129-V1142 CarbonylContact C-O 3.57Å; G1129-V1142 VanDerWaalsContact C-O 3.32Å; G1129-V1142 WeakPolarHBondContact CA-O 3.41Å; I1130-V1142 PolarHBondContact N-O 2.86Å; I1130-V1142 PolarHBondContact O-N 3.29Å; V1142-S1148 WeakPolarHBondContact CA-O 3.35Å; V1142-V1149 HydrophobicContact CG1-CG2 4.12Å; V1142-V1149 HydrophobicContact CG2-CB 4.37Å; V1142-V1149 HydrophobicContact CG2-CG1 4.05Å; V1142-V1149 HydrophobicContact CG2-CG2 4.01Å; V1142-M1172 HydrophobicContact CB-CE 3.74Å; V1142-M1172 HydrophobicContact CB-SD 4.43Å; V1142-M1172 HydrophobicContact CG1-CE 3.93Å; V1142-M1172 HydrophobicContact CG1-SD 4.09Å; V1142-M1172 HydrophobicContact CG2-CE 3.58Å; V1142-M1172 HydrophobicContact CG2-SD 4.07Å |
| 1143 | A | 49.5 | Very low | 51.7 | Low | 8 Ų | 8 | 42.1 Ų | 42.1 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 139.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | N1145 G1146 S1148 | A1143-N1145 VanDerWaalsContact CB-OD1 3.27Å; A1143-N1145 WeakPolarHBondContact CB-OD1 3.31Å; A1143-N1145 PolarHBondContact O-N 2.97Å; A1143-N1145 VanDerWaalsContact O-N 3.08Å; A1143-G1146 PolarHBondContact O-N 3.44Å; A1143-S1148 VanDerWaalsContact CB-OG 3.28Å; A1143-S1148 WeakPolarHBondContact CB-OG 3.25Å; A1143-S1148 PolarHBondContact N-O 2.93Å |
| 1144 | L | 40.9 | Very low | 51.3 | Low | 78 Ų | 78 | 42.7 Ų | 42.7 | 41% | 0.408 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.8 | 179.9 | -73.7 | 168.4 | 0 | 0 | 0 | 113.8 | L1128 I1130 G1146 F1497 | L1128-L1144 HydrophobicContact CB-CD1 3.57Å; L1128-L1144 HydrophobicContact CD1-CD1 4.34Å; I1130-L1144 HydrophobicContact CD1-CD2 3.76Å; I1130-L1144 HydrophobicContact CG1-CD2 3.72Å; L1144-G1146 PolarHBondContact O-N 2.9Å; L1144-F1497 HydrophobicContact CD1-CE2 4Å; L1144-F1497 HydrophobicContact CD1-CZ 3.78Å |
| 1145 | N | 46.2 | Very low | 50.7 | Low | 106 Ų | 106 | 48.7 Ų | 48.7 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -3.2 | 174.3 | 69.8 | 8.6 | 0 | 0 | 0 | 114.4 | A1143 K1147 | A1143-N1145 VanDerWaalsContact CB-OD1 3.27Å; A1143-N1145 WeakPolarHBondContact CB-OD1 3.31Å; A1143-N1145 PolarHBondContact O-N 2.97Å; A1143-N1145 VanDerWaalsContact O-N 3.08Å; N1145-K1147 WeakPolarHBondContact O-CG 3.47Å; N1145-K1147 PolarHBondContact O-N 2.67Å; N1145-K1147 PolarHBondContact OD1-N 3.12Å |
| 1146 | G | 42.7 | Very low | 50.2 | Low | 12 Ų | 12 | 46.6 Ų | 46.6 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 70.8 | 3.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1143 L1144 V1167 | A1143-G1146 PolarHBondContact O-N 3.44Å; L1144-G1146 PolarHBondContact O-N 2.9Å; G1146-V1167 VanDerWaalsContact O-CB 3.29Å; G1146-V1167 WeakPolarHBondContact O-CB 3.31Å; G1146-V1167 VanDerWaalsContact O-CG2 3.26Å; G1146-V1167 WeakPolarHBondContact O-CG2 3.42Å; G1146-V1167 PolarHBondContact O-N 2.92Å; G1146-V1167 VanDerWaalsContact O-N 3.1Å |
| 1147 | K | 49.3 | Very low | 49.7 | Very low | 117 Ų | 117 | 48 Ų | 48 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -95.1 | -12.3 | -171.9 | -60.4 | -170.6 | 177.5 | -176.9 | 0 | 115.2 | N1145 S1163 L1164 | N1145-K1147 WeakPolarHBondContact O-CG 3.47Å; N1145-K1147 PolarHBondContact O-N 2.67Å; N1145-K1147 PolarHBondContact OD1-N 3.12Å; K1147-S1163 WeakPolarHBondContact O-CA 3.46Å; K1147-L1164 CarbonylContact C-O 3.51Å; K1147-L1164 WeakPolarHBondContact CA-O 3.37Å; K1147-L1164 PolarHBondContact O-N 3.41Å; K1147-L1164 VanDerWaalsContact O-O 3.13Å |
| 1148 | S | 57 | Low | 49.6 | Very low | 20 Ų | 20 | 47.9 Ų | 47.9 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 132.8 | 180 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | R1109 V1142 A1143 | R1109-S1148 PolarHBondContact NH1-OG 2.9Å; R1109-S1148 PolarHBondContact NH2-OG 2.55Å; V1142-S1148 WeakPolarHBondContact CA-O 3.35Å; A1143-S1148 VanDerWaalsContact CB-OG 3.28Å; A1143-S1148 WeakPolarHBondContact CB-OG 3.25Å; A1143-S1148 PolarHBondContact N-O 2.93Å |
| 1149 | V | 58 | Low | 49.6 | Very low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.4 | 170.8 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | L1140 V1142 W1151 T1161 I1162 L1164 Y1225 | L1140-V1149 HydrophobicContact CD1-CG1 3.56Å; V1142-V1149 HydrophobicContact CG1-CG2 4.12Å; V1142-V1149 HydrophobicContact CG2-CB 4.37Å; V1142-V1149 HydrophobicContact CG2-CG1 4.05Å; V1142-V1149 HydrophobicContact CG2-CG2 4.01Å; V1149-W1151 HydrophobicContact CB-CH2 4.09Å; V1149-W1151 HydrophobicContact CB-CZ3 4.2Å; V1149-W1151 HydrophobicContact CG1-CE3 4.4Å; V1149-W1151 HydrophobicContact CG1-CH2 3.33Å; V1149-W1151 HydrophobicContact CG1-CZ2 3.75Å; V1149-W1151 HydrophobicContact CG1-CZ3 3.7Å; V1149-W1151 VanDerWaalsContact O-CZ3 3.23Å; V1149-W1151 WeakPolarHBondContact O-CZ3 3.48Å; V1149-T1161 CarbonylContact O-C 3.57Å; V1149-T1161 WeakPolarHBondContact O-CA 3.09Å; V1149-I1162 PolarHBondContact N-O 3.01Å; V1149-I1162 PolarHBondContact O-N 3.5Å; V1149-L1164 HydrophobicContact CG2-CD1 3.87Å; V1149-Y1225 HydrophobicContact CG1-CD1 4.31Å; V1149-Y1225 HydrophobicContact CG1-CE1 4.48Å; V1149-Y1225 HydrophobicContact CG2-CE1 4.5Å |
| 1150 | S | 59.9 | Low | 49.8 | Very low | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 157 | 179.2 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | L1140 A1141 K1160 T1161 | L1140-S1150 CarbonylContact C-O 3.56Å; L1140-S1150 WeakPolarHBondContact CA-O 3.42Å; A1141-S1150 PolarHBondContact N-O 2.85Å; A1141-S1150 PolarHBondContact O-N 3.05Å; S1150-K1160 CarbonylContact C-O 3.57Å; S1150-K1160 WeakPolarHBondContact CA-O 3.05Å; S1150-T1161 PolarHBondContact OG-OG1 3.35Å |
| 1151 | W | 60.6 | Low | 50.3 | Low | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.1 | 171.7 | -65.6 | -102.3 | 0 | 0 | 0 | 108.7 | L1138 I1139 L1140 V1149 V1159 K1160 I1162 Y1225 | L1138-W1151 HydrophobicContact CD1-CB 4.33Å; I1139-W1151 CarbonylContact O-C 3.42Å; I1139-W1151 WeakPolarHBondContact O-CA 3.4Å; L1140-W1151 HydrophobicContact CD1-CD2 4.15Å; L1140-W1151 HydrophobicContact CD1-CG 4.43Å; L1140-W1151 HydrophobicContact CD1-CZ2 3.82Å; V1149-W1151 HydrophobicContact CB-CH2 4.09Å; V1149-W1151 HydrophobicContact CB-CZ3 4.2Å; V1149-W1151 HydrophobicContact CG1-CE3 4.4Å; V1149-W1151 HydrophobicContact CG1-CH2 3.33Å; V1149-W1151 HydrophobicContact CG1-CZ2 3.75Å; V1149-W1151 HydrophobicContact CG1-CZ3 3.7Å; V1149-W1151 VanDerWaalsContact O-CZ3 3.23Å; V1149-W1151 WeakPolarHBondContact O-CZ3 3.48Å; W1151-V1159 PolarHBondContact O-N 2.78Å; W1151-K1160 HydrophobicContact CB-CB 4.37Å; W1151-K1160 HydrophobicContact CD2-CB 4.45Å; W1151-K1160 HydrophobicContact CE3-CB 3.9Å; W1151-K1160 HydrophobicContact CE3-CD 4.42Å; W1151-K1160 HydrophobicContact CE3-CG 3.99Å; W1151-K1160 HydrophobicContact CZ3-CG 4.28Å; W1151-K1160 PolarHBondContact N-O 2.62Å; W1151-K1160 PolarHBondContact O-N 3.03Å; W1151-I1162 HydrophobicContact CH2-CB 4.44Å; W1151-I1162 HydrophobicContact CH2-CD1 3.76Å; W1151-I1162 HydrophobicContact CH2-CG1 4.02Å; W1151-I1162 HydrophobicContact CZ3-CB 4.19Å; W1151-I1162 HydrophobicContact CZ3-CD1 4.02Å; W1151-I1162 HydrophobicContact CZ3-CG1 3.76Å; W1151-Y1225 HydrophobicContact CZ2-CD1 4.31Å; W1151-Y1225 VanDerWaalsContact CZ2-O 3.28Å; W1151-Y1225 WeakPolarHBondContact CZ2-O 3.36Å; W1151-Y1225 PolarHBondContact NE1-O 2.93Å |
| 1152 | Y | 51 | Low | 50.4 | Low | 34 Ų | 34 | 55.8 Ų | 55.8 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 157.6 | 174.6 | -57.7 | -102.2 | 0 | 0 | 0 | 110 | L1138 I1139 A1141 G1156 N1157 L1158 | L1138-Y1152 CarbonylContact C-O 3.55Å; L1138-Y1152 VanDerWaalsContact CA-O 3.23Å; L1138-Y1152 WeakPolarHBondContact CA-O 3.38Å; L1138-Y1152 WeakPolarHBondContact CB-O 3.48Å; I1139-Y1152 PolarHBondContact N-O 3.48Å; I1139-Y1152 PolarHBondContact O-N 2.89Å; A1141-Y1152 HydrophobicContact CB-CD2 4.26Å; A1141-Y1152 HydrophobicContact CB-CE2 3.98Å; Y1152-G1156 WeakPolarHBondContact CD1-O 3.28Å; Y1152-N1157 CarbonylContact C-O 3.56Å; Y1152-N1157 WeakPolarHBondContact CA-O 3.34Å; Y1152-N1157 WeakPolarHBondContact CB-O 3.4Å; Y1152-L1158 HydrophobicContact CD1-CB 4.06Å; Y1152-L1158 HydrophobicContact CD1-CD1 4.08Å; Y1152-L1158 HydrophobicContact CD2-CD1 4.4Å; Y1152-L1158 HydrophobicContact CE1-CB 3.91Å; Y1152-L1158 HydrophobicContact CE1-CD1 3.68Å; Y1152-L1158 HydrophobicContact CE1-CG 4.39Å; Y1152-L1158 HydrophobicContact CE2-CD1 3.99Å; Y1152-L1158 HydrophobicContact CG-CD1 4.43Å |
| 1153 | D | 48.7 | Very low | 50.8 | Low | 38 Ų | 38 | 60.1 Ų | 60.1 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | trans | -82.8 | 177.4 | 166.4 | 61.8 | 25 | 0 | 0 | 0 | 111.5 | L1138 D1155 G1156 N1157 V1159 | L1138-D1153 HydrophobicContact CD2-CB 4.24Å; D1153-D1155 PolarHBondContact O-N 2.67Å; D1153-D1155 WeakPolarHBondContact OD1-CA 3.38Å; D1153-D1155 PolarHBondContact OD1-N 2.85Å; D1153-D1155 VanDerWaalsContact OD1-N 3.08Å; D1153-G1156 PolarHBondContact O-N 3.38Å; D1153-G1156 VanDerWaalsContact O-N 3.1Å; D1153-G1156 PolarHBondContact OD1-N 2.63Å; D1153-N1157 PolarHBondContact N-O 2.77Å; D1153-N1157 PolarHBondContact OD1-N 2.98Å; D1153-N1157 PolarHBondContact OD1-ND2 3.44Å; D1153-N1157 VanDerWaalsContact OD1-ND2 3.11Å; D1153-N1157 WeakPolarHBondContact OD2-CB 3.29Å; D1153-N1157 PolarHBondContact OD2-ND2 3.24Å; D1153-V1159 HydrophobicContact CB-CG2 3.89Å | ||
| 1154 | L | 41 | Very low | 50.9 | Low | 109 Ų | 109 | 60.3 Ų | 60.3 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -18.7 | 177.7 | -67 | 178.3 | 0 | 0 | 0 | 113.6 | L1133 N1137 G1156 | L1133-L1154 HydrophobicContact CD1-CD2 3.73Å; N1137-L1154 HydrophobicContact CB-CD1 4.17Å; N1137-L1154 HydrophobicContact CB-CG 4.39Å; L1154-G1156 VanDerWaalsContact C-N 3.31Å |
| 1155 | D | 39.5 | Very low | 51.3 | Low | 146 Ų | 146 | 60.1 Ų | 60.1 | 78% | 0.781 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -3.2 | 175.7 | -64 | -46.8 | 0 | 0 | 0 | 111.9 | D1153 | D1153-D1155 PolarHBondContact O-N 2.67Å; D1153-D1155 WeakPolarHBondContact OD1-CA 3.38Å; D1153-D1155 PolarHBondContact OD1-N 2.85Å; D1153-D1155 VanDerWaalsContact OD1-N 3.08Å |
| 1156 | G | 38.6 | Very low | 51.2 | Low | 47 Ų | 47 | 60.3 Ų | 60.3 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | trans | 86.5 | 8.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1152 D1153 L1154 | Y1152-G1156 WeakPolarHBondContact CD1-O 3.28Å; D1153-G1156 PolarHBondContact O-N 3.38Å; D1153-G1156 VanDerWaalsContact O-N 3.1Å; D1153-G1156 PolarHBondContact OD1-N 2.63Å; L1154-G1156 VanDerWaalsContact C-N 3.31Å | ||
| 1157 | N | 45.6 | Very low | 51.1 | Low | 95 Ų | 95 | 60.6 Ų | 60.6 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | trans | -76.3 | 138.6 | 176 | -49.8 | -76.3 | 0 | 0 | 0 | 110.5 | Y1152 D1153 V1159 | Y1152-N1157 CarbonylContact C-O 3.56Å; Y1152-N1157 WeakPolarHBondContact CA-O 3.34Å; Y1152-N1157 WeakPolarHBondContact CB-O 3.4Å; D1153-N1157 PolarHBondContact N-O 2.77Å; D1153-N1157 PolarHBondContact OD1-N 2.98Å; D1153-N1157 PolarHBondContact OD1-ND2 3.44Å; D1153-N1157 VanDerWaalsContact OD1-ND2 3.11Å; D1153-N1157 WeakPolarHBondContact OD2-CB 3.29Å; D1153-N1157 PolarHBondContact OD2-ND2 3.24Å; N1157-V1159 PolarHBondContact O-N 3.02Å | ||
| 1158 | L | 48.8 | Very low | 50.9 | Low | 97 Ų | 97 | 59.2 Ų | 59.2 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 110.5 | 175.3 | -177.1 | 69.2 | 0 | 0 | 0 | 110.8 | Y1152 | Y1152-L1158 HydrophobicContact CD1-CB 4.06Å; Y1152-L1158 HydrophobicContact CD1-CD1 4.08Å; Y1152-L1158 HydrophobicContact CD2-CD1 4.4Å; Y1152-L1158 HydrophobicContact CE1-CB 3.91Å; Y1152-L1158 HydrophobicContact CE1-CD1 3.68Å; Y1152-L1158 HydrophobicContact CE1-CG 4.39Å; Y1152-L1158 HydrophobicContact CE2-CD1 3.99Å; Y1152-L1158 HydrophobicContact CG-CD1 4.43Å |
| 1159 | V | 52.7 | Low | 50.2 | Low | 78 Ų | 78 | 62.8 Ų | 62.8 | 47% | 0.473 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -38 | -178.4 | 173.9 | 0 | 0 | 0 | 0 | 112 | L1138 W1151 D1153 N1157 | L1138-V1159 HydrophobicContact CD1-CG1 4.08Å; L1138-V1159 HydrophobicContact CD2-CG2 4.08Å; W1151-V1159 PolarHBondContact O-N 2.78Å; D1153-V1159 HydrophobicContact CB-CG2 3.89Å; N1157-V1159 PolarHBondContact O-N 3.02Å |
| 1160 | K | 57 | Low | 49.3 | Very low | 80 Ų | 80 | 69.8 Ų | 69.8 | 35% | 0.348 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 152.3 | 179.9 | -173.4 | 168.3 | 174.6 | 173.4 | 0 | 111 | S1150 W1151 T1227 G1228 | S1150-K1160 CarbonylContact C-O 3.57Å; S1150-K1160 WeakPolarHBondContact CA-O 3.05Å; W1151-K1160 HydrophobicContact CB-CB 4.37Å; W1151-K1160 HydrophobicContact CD2-CB 4.45Å; W1151-K1160 HydrophobicContact CE3-CB 3.9Å; W1151-K1160 HydrophobicContact CE3-CD 4.42Å; W1151-K1160 HydrophobicContact CE3-CG 3.99Å; W1151-K1160 HydrophobicContact CZ3-CG 4.28Å; W1151-K1160 PolarHBondContact N-O 2.62Å; W1151-K1160 PolarHBondContact O-N 3.03Å; K1160-T1227 PolarHBondContact NZ-O 3.17Å; K1160-G1228 PolarHBondContact NZ-O 3.15Å |
| 1161 | T | 65.6 | Low | 48.5 | Very low | 59 Ų | 59 | 70.8 Ų | 70.8 | 36% | 0.362 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.5 | 162.3 | -61 | 0 | 0 | 0 | 0 | 109.4 | V1149 S1150 | V1149-T1161 CarbonylContact O-C 3.57Å; V1149-T1161 WeakPolarHBondContact O-CA 3.09Å; S1150-T1161 PolarHBondContact OG-OG1 3.35Å |
| 1162 | I | 56 | Low | 47.8 | Very low | 27 Ų | 27 | 71.1 Ų | 71.1 | 14% | 0.138 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.9 | 164.9 | -61.5 | -179.9 | 0 | 0 | 0 | 106.8 | V1149 W1151 L1164 | V1149-I1162 PolarHBondContact N-O 3.01Å; V1149-I1162 PolarHBondContact O-N 3.5Å; W1151-I1162 HydrophobicContact CH2-CB 4.44Å; W1151-I1162 HydrophobicContact CH2-CD1 3.76Å; W1151-I1162 HydrophobicContact CH2-CG1 4.02Å; W1151-I1162 HydrophobicContact CZ3-CB 4.19Å; W1151-I1162 HydrophobicContact CZ3-CD1 4.02Å; W1151-I1162 HydrophobicContact CZ3-CG1 3.76Å; I1162-L1164 HydrophobicContact CG2-CD2 3.79Å; I1162-L1164 HydrophobicContact CG2-CG 3.95Å |
| 1163 | S | 58.8 | Low | 47.2 | Very low | 100 Ų | 100 | 73.7 Ų | 73.7 | 70% | 0.699 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130.5 | 166.8 | -53.7 | 0 | 0 | 0 | 0 | 108.7 | K1147 | K1147-S1163 WeakPolarHBondContact O-CA 3.46Å |
| 1164 | L | 51.9 | Low | 46.7 | Very low | 11 Ų | 11 | 77.6 Ų | 77.6 | 6% | 0.058 | 42% | 0.42 | C | S | . | . | trans | -122.6 | 135 | 177.8 | -66.9 | 171.6 | 0 | 0 | 0 | 107 | K1147 V1149 I1162 E1166 V1167 I1223 | K1147-L1164 CarbonylContact C-O 3.51Å; K1147-L1164 WeakPolarHBondContact CA-O 3.37Å; K1147-L1164 PolarHBondContact O-N 3.41Å; K1147-L1164 VanDerWaalsContact O-O 3.13Å; V1149-L1164 HydrophobicContact CG2-CD1 3.87Å; I1162-L1164 HydrophobicContact CG2-CD2 3.79Å; I1162-L1164 HydrophobicContact CG2-CG 3.95Å; L1164-E1166 VanDerWaalsContact C-N 3.33Å; L1164-E1166 PolarHBondContact O-N 2.78Å; L1164-V1167 HydrophobicContact CB-CG2 3.67Å; L1164-V1167 HydrophobicContact CD1-CG2 3.38Å; L1164-V1167 HydrophobicContact CG-CG2 4.14Å; L1164-I1223 HydrophobicContact CD1-CD1 4.01Å; L1164-I1223 HydrophobicContact CD2-CD1 3.94Å | ||
| 1165 | P | 48.5 | Very low | 47 | Very low | 74 Ų | 74 | 73.2 Ų | 73.2 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -56.5 | -49.4 | -172.8 | -25.9 | 34.5 | 0 | 0 | 0 | 111.9 | ||
| 1166 | E | 44 | Very low | 47 | Very low | 110 Ų | 110 | 69.9 Ų | 69.9 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | trans | -147.9 | 133 | 171.6 | -64.3 | 177.3 | 146.3 | 0 | 0 | 107.7 | L1164 | L1164-E1166 VanDerWaalsContact C-N 3.33Å; L1164-E1166 PolarHBondContact O-N 2.78Å | ||
| 1167 | V | 40.8 | Very low | 47 | Very low | 18 Ų | 18 | 69.8 Ų | 69.8 | 11% | 0.109 | 37% | 0.373 | C | S | . | . | trans | -108.4 | 117.2 | 165.2 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | G1146 L1164 L1169 M1172 | G1146-V1167 VanDerWaalsContact O-CB 3.29Å; G1146-V1167 WeakPolarHBondContact O-CB 3.31Å; G1146-V1167 VanDerWaalsContact O-CG2 3.26Å; G1146-V1167 WeakPolarHBondContact O-CG2 3.42Å; G1146-V1167 PolarHBondContact O-N 2.92Å; G1146-V1167 VanDerWaalsContact O-N 3.1Å; L1164-V1167 HydrophobicContact CB-CG2 3.67Å; L1164-V1167 HydrophobicContact CD1-CG2 3.38Å; L1164-V1167 HydrophobicContact CG-CG2 4.14Å; V1167-L1169 PolarHBondContact O-N 3.06Å; V1167-M1172 HydrophobicContact CG1-CG 3.99Å | ||
| 1168 | N | 44.6 | Very low | 46.4 | Very low | 89 Ų | 89 | 66.2 Ų | 66.2 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | trans | -65.4 | 127.5 | 169.5 | -174.5 | -18.1 | 0 | 0 | 0 | 109.4 | F1170 S1171 | N1168-F1170 PolarHBondContact O-N 3.29Å; N1168-F1170 VanDerWaalsContact O-N 3.08Å; N1168-F1170 WeakPolarHBondContact OD1-CD2 3.43Å; N1168-F1170 PolarHBondContact OD1-N 3.24Å; N1168-S1171 WeakPolarHBondContact O-CB 3.45Å; N1168-S1171 PolarHBondContact O-N 3.45Å | ||
| 1169 | L | 42.8 | Very low | 45.8 | Very low | 95 Ų | 95 | 67.2 Ų | 67.2 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -54.7 | -25.4 | 177.7 | -107.9 | 154.8 | 0 | 0 | 0 | 113.3 | V1167 S1171 M1172 K1173 | V1167-L1169 PolarHBondContact O-N 3.06Å; L1169-S1171 VanDerWaalsContact C-N 3.3Å; L1169-S1171 PolarHBondContact O-N 2.85Å; L1169-M1172 HydrophobicContact CD2-CB 4.44Å; L1169-M1172 WeakPolarHBondContact O-CB 3.29Å; L1169-M1172 PolarHBondContact O-N 2.94Å; L1169-K1173 PolarHBondContact O-N 3.14Å |
| 1170 | F | 39.6 | Very low | 44.9 | Very low | 147 Ų | 147 | 70.5 Ų | 70.5 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -55.2 | -41.5 | 169.9 | -85.4 | -99.4 | 0 | 0 | 0 | 112.8 | N1168 M1172 K1173 | N1168-F1170 PolarHBondContact O-N 3.29Å; N1168-F1170 VanDerWaalsContact O-N 3.08Å; N1168-F1170 WeakPolarHBondContact OD1-CD2 3.43Å; N1168-F1170 PolarHBondContact OD1-N 3.24Å; F1170-M1172 PolarHBondContact O-N 2.82Å; F1170-K1173 WeakPolarHBondContact O-CB 3.37Å; F1170-K1173 PolarHBondContact O-N 2.95Å |
| 1171 | S | 43 | Very low | 44 | Very low | 26 Ų | 26 | 68.7 Ų | 68.7 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.3 | -15.8 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | N1168 L1169 I1187 | N1168-S1171 WeakPolarHBondContact O-CB 3.45Å; N1168-S1171 PolarHBondContact O-N 3.45Å; L1169-S1171 VanDerWaalsContact C-N 3.3Å; L1169-S1171 PolarHBondContact O-N 2.85Å; S1171-I1187 PolarHBondContact OG-O 3.01Å |
| 1172 | M | 45.4 | Very low | 42.8 | Very low | 13 Ų | 13 | 67.3 Ų | 67.3 | 6% | 0.064 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -85.5 | -21.6 | 175.1 | -75.8 | -67.4 | -63.7 | 0 | 0 | 113.3 | V1142 V1167 L1169 F1170 F1174 L1175 | V1142-M1172 HydrophobicContact CB-CE 3.74Å; V1142-M1172 HydrophobicContact CB-SD 4.43Å; V1142-M1172 HydrophobicContact CG1-CE 3.93Å; V1142-M1172 HydrophobicContact CG1-SD 4.09Å; V1142-M1172 HydrophobicContact CG2-CE 3.58Å; V1142-M1172 HydrophobicContact CG2-SD 4.07Å; V1167-M1172 HydrophobicContact CG1-CG 3.99Å; L1169-M1172 HydrophobicContact CD2-CB 4.44Å; L1169-M1172 WeakPolarHBondContact O-CB 3.29Å; L1169-M1172 PolarHBondContact O-N 2.94Å; F1170-M1172 PolarHBondContact O-N 2.82Å; M1172-F1174 PolarHBondContact O-N 3.39Å; M1172-L1175 HydrophobicContact CE-CD1 4.03Å; M1172-L1175 PolarHBondContact O-N 2.99Å; M1172-L1175 HydrophobicContact SD-CD1 3.78Å |
| 1173 | K | 38 | Very low | 42.1 | Very low | 89 Ų | 89 | 72.9 Ų | 72.9 | 39% | 0.387 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -53.8 | -32.3 | -176.2 | -172.9 | 166.1 | 179.6 | 165.2 | 0 | 113.3 | L1169 F1170 A1177 | L1169-K1173 PolarHBondContact O-N 3.14Å; F1170-K1173 WeakPolarHBondContact O-CB 3.37Å; F1170-K1173 PolarHBondContact O-N 2.95Å; K1173-A1177 WeakPolarHBondContact O-CB 3.44Å; K1173-A1177 PolarHBondContact O-N 3.25Å |
| 1174 | F | 39.4 | Very low | 41.8 | Very low | 120 Ų | 120 | 69.3 Ų | 69.3 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75.7 | -30.3 | 178.4 | -105.5 | -110.3 | 0 | 0 | 0 | 115 | M1172 L1176 N1291 | M1172-F1174 PolarHBondContact O-N 3.39Å; F1174-L1176 VanDerWaalsContact C-N 3.32Å; F1174-L1176 PolarHBondContact O-N 2.77Å; F1174-N1291 HydrophobicContact CE2-CB 4.22Å; F1174-N1291 WeakPolarHBondContact CE2-ND2 3.21Å; F1174-N1291 VanDerWaalsContact CZ-ND2 3.29Å; F1174-N1291 WeakPolarHBondContact CZ-ND2 3.24Å |
| 1175 | L | 45.4 | Very low | 42 | Very low | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.3 | -30.3 | 179.5 | -87.1 | 173.9 | 0 | 0 | 0 | 112.9 | R1132 L1140 M1172 P1182 Y1225 | R1132-L1175 PolarHBondContact NH1-O 3.17Å; L1140-L1175 HydrophobicContact CD2-CD1 3.94Å; L1140-L1175 HydrophobicContact CD2-CD2 3.9Å; M1172-L1175 HydrophobicContact CE-CD1 4.03Å; M1172-L1175 PolarHBondContact O-N 2.99Å; M1172-L1175 HydrophobicContact SD-CD1 3.78Å; L1175-P1182 HydrophobicContact CD2-CG 4.4Å; L1175-Y1225 HydrophobicContact CD1-CD2 3.71Å; L1175-Y1225 HydrophobicContact CD1-CE1 4.48Å; L1175-Y1225 HydrophobicContact CD1-CE2 3.38Å; L1175-Y1225 HydrophobicContact CD1-CG 4.36Å; L1175-Y1225 HydrophobicContact CD2-CD2 3.79Å; L1175-Y1225 HydrophobicContact CD2-CE2 4.17Å; L1175-Y1225 HydrophobicContact CG-CD2 3.95Å; L1175-Y1225 HydrophobicContact CG-CE2 3.78Å |
| 1176 | L | 40.8 | Very low | 42.6 | Very low | 75 Ų | 75 | 68.1 Ų | 68.1 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -91.3 | -30 | -174.8 | -57.1 | 179.2 | 0 | 0 | 0 | 112.7 | I1130 F1174 | I1130-L1176 HydrophobicContact CD1-CD1 4.46Å; I1130-L1176 HydrophobicContact CG2-CD1 4.41Å; I1130-L1176 HydrophobicContact CG2-CD2 3.67Å; F1174-L1176 VanDerWaalsContact C-N 3.32Å; F1174-L1176 PolarHBondContact O-N 2.77Å |
| 1177 | A | 37.4 | Very low | 43.5 | Very low | 45 Ų | 45 | 64.5 Ų | 64.5 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -87.1 | -22.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | K1173 | K1173-A1177 WeakPolarHBondContact O-CB 3.44Å; K1173-A1177 PolarHBondContact O-N 3.25Å |
| 1178 | S | 33.8 | Very low | 44.8 | Very low | 20 Ų | 20 | 63.9 Ų | 63.9 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | trans | -88.4 | 137.3 | -174.5 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | R1132 I1180 P1182 | R1132-S1178 VanDerWaalsContact CZ-O 3.26Å; R1132-S1178 PolarHBondContact NH1-O 3.19Å; R1132-S1178 PolarHBondContact NH2-O 2.69Å; S1178-I1180 CarbonylContact C-O 3.55Å; S1178-I1180 VanDerWaalsContact CB-O 3.32Å; S1178-I1180 WeakPolarHBondContact CB-O 3.19Å; S1178-I1180 PolarHBondContact OG-O 2.87Å; S1178-P1182 WeakPolarHBondContact OG-CB 3.47Å; S1178-P1182 WeakPolarHBondContact OG-CD 3.39Å; S1178-P1182 WeakPolarHBondContact OG-CG 3.29Å | ||
| 1179 | H | 37.1 | Very low | 45.8 | Very low | 118 Ų | 118 | 60 Ų | 60 | 55% | 0.546 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -78.1 | -43.3 | 176 | -97.8 | -130.5 | 0 | 0 | 0 | 113.5 | Y1484 | H1179-Y1484 HydrophobicContact CB-CE2 4.35Å; H1179-Y1484 AromaticContact CD2-CD2 3.29Å; H1179-Y1484 WeakPolarHBondContact CD2-CD2 3.49Å; H1179-Y1484 AromaticContact CD2-CE2 3.3Å; H1179-Y1484 WeakPolarHBondContact CD2-CE2 3.27Å; H1179-Y1484 AromaticContact CD2-CG 3.65Å; H1179-Y1484 AromaticContact CD2-CZ 3.66Å; H1179-Y1484 AromaticContact CE1-CD1 3.5Å; H1179-Y1484 AromaticContact CE1-CE1 3.39Å; H1179-Y1484 WeakPolarHBondContact CE1-CE1 3.26Å; H1179-Y1484 AromaticContact CE1-CG 3.91Å; H1179-Y1484 AromaticContact CE1-CZ 3.69Å; H1179-Y1484 AromaticContact CG-CE2 3.63Å; H1179-Y1484 AromaticContact CG-CZ 3.66Å; H1179-Y1484 AromaticContact ND1-CE1 3.79Å; H1179-Y1484 AromaticContact ND1-CZ 3.66Å; H1179-Y1484 AromaticContact NE2-CD1 3.3Å; H1179-Y1484 VanDerWaalsContact NE2-CD1 3.3Å; H1179-Y1484 WeakPolarHBondContact NE2-CD1 3.34Å; H1179-Y1484 AromaticContact NE2-CD2 3.43Å; H1179-Y1484 WeakPolarHBondContact NE2-CD2 3.47Å; H1179-Y1484 AromaticContact NE2-CE1 3.57Å; H1179-Y1484 AromaticContact NE2-CE2 3.68Å; H1179-Y1484 AromaticContact NE2-CG 3.22Å; H1179-Y1484 AromaticContact NE2-CZ 3.74Å |
| 1180 | I | 33.2 | Very low | 47.1 | Very low | 147 Ų | 147 | 56.7 Ų | 56.7 | 75% | 0.754 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -70.6 | 140.6 | 163.5 | -55.3 | 171.6 | 0 | 0 | 0 | 107 | S1178 P1182 | S1178-I1180 CarbonylContact C-O 3.55Å; S1178-I1180 VanDerWaalsContact CB-O 3.32Å; S1178-I1180 WeakPolarHBondContact CB-O 3.19Å; S1178-I1180 PolarHBondContact OG-O 2.87Å; I1180-P1182 VanDerWaalsContact O-N 3.13Å |
| 1181 | A | 38.3 | Very low | 48.3 | Very low | 43 Ų | 43 | 52 Ų | 52 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -52 | 120.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 1182 | P | 40.3 | Very low | 49.3 | Very low | 29 Ų | 29 | 54.8 Ų | 54.8 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 163.5 | -170.5 | 28.1 | -29.8 | 0 | 0 | 0 | 110.5 | L1175 S1178 I1180 P1184 | L1175-P1182 HydrophobicContact CD2-CG 4.4Å; S1178-P1182 WeakPolarHBondContact OG-CB 3.47Å; S1178-P1182 WeakPolarHBondContact OG-CD 3.39Å; S1178-P1182 WeakPolarHBondContact OG-CG 3.29Å; I1180-P1182 VanDerWaalsContact O-N 3.13Å; P1182-P1184 VanDerWaalsContact O-N 3.16Å |
| 1183 | D | 40.8 | Very low | 49.7 | Very low | 145 Ų | 145 | 59.5 Ų | 59.5 | 78% | 0.775 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 123.4 | 163.8 | -126.3 | -11.4 | 0 | 0 | 0 | 107.6 | T1185 | D1183-T1185 PolarHBondContact O-N 2.74Š|
| 1184 | P | 53.4 | Low | 49.9 | Very low | 24 Ų | 24 | 60.3 Ų | 60.3 | 16% | 0.156 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -71 | 4.6 | -160.6 | 28.1 | -38.1 | 0 | 0 | 0 | 114.3 | P1182 D1224 Y1225 F1226 | P1182-P1184 VanDerWaalsContact O-N 3.16Å; P1184-D1224 WeakPolarHBondContact CG-OD1 3.42Å; P1184-Y1225 WeakPolarHBondContact O-CD2 3.42Å; P1184-Y1225 PolarHBondContact O-N 3.23Å; P1184-F1226 HydrophobicContact CB-CB 3.86Å; P1184-F1226 HydrophobicContact CB-CD2 3.54Å; P1184-F1226 HydrophobicContact CB-CE2 4.43Å; P1184-F1226 HydrophobicContact CB-CG 4.07Å; P1184-F1226 HydrophobicContact CG-CB 4.02Å; P1184-F1226 HydrophobicContact CG-CD2 3.73Å; P1184-F1226 HydrophobicContact CG-CG 4.36Å |
| 1185 | T | 56.5 | Low | 49.9 | Very low | 47 Ų | 47 | 59.6 Ų | 59.6 | 29% | 0.288 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 102.6 | -161.4 | 69.7 | 0 | 0 | 0 | 0 | 112.7 | D1183 K1222 I1223 D1224 | D1183-T1185 PolarHBondContact O-N 2.74Å; T1185-K1222 WeakPolarHBondContact OG1-CE 3.42Å; T1185-K1222 PolarHBondContact OG1-NZ 2.93Å; T1185-I1223 CarbonylContact C-O 3.49Å; T1185-I1223 VanDerWaalsContact CA-O 3.24Å; T1185-I1223 WeakPolarHBondContact CA-O 3.24Å; T1185-D1224 HydrophobicContact CG2-CB 4.02Å |
| 1186 | S | 59.8 | Low | 49.7 | Very low | 14 Ų | 14 | 64.2 Ų | 64.2 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 173.5 | 169.2 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | K1222 I1223 Y1225 | S1186-K1222 CarbonylContact O-C 3.52Å; S1186-K1222 VanDerWaalsContact O-CA 3.24Å; S1186-K1222 WeakPolarHBondContact O-CA 3.47Å; S1186-K1222 WeakPolarHBondContact O-CG 3.31Å; S1186-I1223 PolarHBondContact N-O 3.5Å; S1186-I1223 PolarHBondContact O-N 2.64Å; S1186-Y1225 WeakPolarHBondContact OG-CE2 3.3Å; S1186-Y1225 PolarHBondContact OG-OH 2.86Å |
| 1187 | I | 64.1 | Low | 49.3 | Very low | 34 Ų | 34 | 68.9 Ų | 68.9 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133 | 172.3 | -52.8 | 154.2 | 0 | 0 | 0 | 107 | S1171 V1220 A1221 L1233 L1252 N1254 | S1171-I1187 PolarHBondContact OG-O 3.01Å; I1187-V1220 HydrophobicContact CG2-CG1 3.63Å; I1187-A1221 WeakPolarHBondContact CA-O 3.32Å; I1187-L1233 HydrophobicContact CG2-CD1 4.07Å; I1187-L1252 HydrophobicContact CG2-CD2 4.46Å; I1187-N1254 HydrophobicContact CD1-CB 4.22Å; I1187-N1254 VanDerWaalsContact CD1-CG 3.41Å; I1187-N1254 VanDerWaalsContact CD1-OD1 3.25Å; I1187-N1254 WeakPolarHBondContact CD1-OD1 3.35Å |
| 1188 | C | 66.3 | Low | 48.9 | Very low | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.027 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.1 | 179.5 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | A1221 I1223 | C1188-A1221 PolarHBondContact N-O 2.92Å; C1188-A1221 PolarHBondContact O-N 3.05Å; C1188-I1223 HydrophobicContact CB-CD1 4.09Å |
| 1189 | A | 66.2 | Low | 48.8 | Very low | 7 Ų | 7 | 80.4 Ų | 80.4 | 6% | 0.058 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 146.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I1218 T1219 M1246 L1249 L1252 | A1189-I1218 HydrophobicContact CB-CG2 4.05Å; A1189-T1219 CarbonylContact C-O 3.54Å; A1189-T1219 WeakPolarHBondContact CA-O 3.31Å; A1189-M1246 HydrophobicContact CB-CE 3.76Å; A1189-M1246 HydrophobicContact CB-SD 3.71Å; A1189-M1246 VanDerWaalsContact O-CE 3.29Å; A1189-M1246 WeakPolarHBondContact O-CE 3.42Å; A1189-L1249 HydrophobicContact CB-CD1 4.23Å; A1189-L1252 HydrophobicContact CB-CD2 4.02Å |
| 1190 | L | 69.4 | Low | 48.3 | Very low | 27 Ų | 27 | 80.3 Ų | 80.3 | 14% | 0.141 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 124.4 | -179.4 | -65.9 | 174.8 | 0 | 0 | 0 | 109.2 | T1219 A1221 V1230 | L1190-T1219 PolarHBondContact N-O 3Å; L1190-T1219 PolarHBondContact O-N 3.33Å; L1190-T1219 PolarHBondContact O-OG1 3.18Å; L1190-A1221 HydrophobicContact CD1-CB 3.83Å; L1190-V1230 HydrophobicContact CD1-CG1 4.05Å |
| 1191 | P | 66.1 | Low | 47.9 | Very low | 48 Ų | 48 | 79 Ų | 79 | 31% | 0.312 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.4 | 174.9 | 30.3 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 1192 | I | 63.5 | Low | 47.2 | Very low | 85 Ų | 85 | 83.4 Ų | 83.4 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.1 | 172.4 | -62.7 | -168.1 | 0 | 0 | 0 | 109.3 | L1217 T1219 | I1192-L1217 PolarHBondContact N-O 3.07Å; I1192-L1217 PolarHBondContact O-N 2.91Å; I1192-T1219 HydrophobicContact CB-CG2 4.32Å; I1192-T1219 HydrophobicContact CD1-CG2 3.53Å; I1192-T1219 HydrophobicContact CG1-CG2 3.78Å |
| 1193 | N | 54 | Low | 46.5 | Very low | 111 Ų | 111 | 87.5 Ų | 87.5 | 59% | 0.594 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 134.2 | 171.4 | -60.9 | -9.8 | 0 | 0 | 0 | 109.3 | S1195 | N1193-S1195 PolarHBondContact O-N 3.41Å |
| 1194 | K | 41.9 | Very low | 45.7 | Very low | 107 Ų | 107 | 87.5 Ų | 87.5 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 125.9 | 170.2 | -74.6 | -178.4 | 171.6 | 178.8 | 0 | 109.9 | L1217 E1238 | K1194-L1217 HydrophobicContact CG-CD1 4.49Å; K1194-E1238 IonicContact NZ-OE1 2.78Å; K1194-E1238 PolarHBondContact NZ-OE1 2.6Å |
| 1195 | S | 39.2 | Very low | 44.2 | Very low | 104 Ų | 104 | 97.8 Ų | 97.8 | 73% | 0.727 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 133.6 | 171.1 | 51 | 0 | 0 | 0 | 0 | 110.5 | N1193 | N1193-S1195 PolarHBondContact O-N 3.41Š|
| 1196 | P | 41.5 | Very low | 42.7 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 74% | 0.74 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -72 | 130.8 | -177.1 | 29 | -34.5 | 0 | 0 | 0 | 111.6 | L1198 | P1196-L1198 PolarHBondContact O-N 3.14Š|
| 1197 | E | 32.9 | Very low | 41 | Very low | 173 Ų | 173 | 108.1 Ų | 108.1 | 81% | 0.808 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 121.2 | 173.1 | -65.2 | -172.3 | 150.6 | 0 | 0 | 110.2 | N1199 | E1197-N1199 VanDerWaalsContact C-N 3.3Å; E1197-N1199 PolarHBondContact O-N 3.04Å |
| 1198 | L | 29.6 | Very low | 39.3 | Very low | 159 Ų | 159 | 114.6 Ų | 114.6 | 83% | 0.832 | 61% | 0.611 | S | S | * | * | trans | -72.3 | 79.6 | 178.9 | -85.1 | 82.9 | 0 | 0 | 0 | 111.6 | P1196 T1200 | P1196-L1198 PolarHBondContact O-N 3.14Å; L1198-T1200 PolarHBondContact O-N 3.2Å | ||
| 1199 | N | 30.5 | Very low | 37.6 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | trans | -76.8 | 110.1 | 163.5 | -82.8 | -52.6 | 0 | 0 | 0 | 109.9 | E1197 | E1197-N1199 VanDerWaalsContact C-N 3.3Å; E1197-N1199 PolarHBondContact O-N 3.04Å | ||
| 1200 | T | 26 | Very low | 35.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | trans | -77.5 | 158.7 | -174.5 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | L1198 | L1198-T1200 PolarHBondContact O-N 3.2Š| ||
| 1201 | T | 25.2 | Very low | 34 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | 98 | 144.8 | 160.6 | 75.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1202 | N | 25.3 | Very low | 32.5 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 75.8 | 75.4 | 156 | -57.5 | -16.9 | 0 | 0 | 0 | 120.5 | ||||
| 1203 | T | 24.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 38.7 | 126.2 | 117.4 | 60.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1204 | N | 24.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 150.7 Ų | 150.7 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 64.8 | 88.7 | 140.4 | -58.6 | -16.1 | 0 | 0 | 0 | 119.1 | ||||
| 1205 | R | 22.9 | Very low | 30.8 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | -179.7 | 165.2 | 100.2 | -95.7 | 166.4 | -178.5 | -176.6 | 0.8 | 113.6 | |||||
| 1206 | H | 23.9 | Very low | 31.7 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -53.1 | 155.9 | -174.5 | -57.6 | -93 | 0 | 0 | 0 | 117.2 | ||||
| 1207 | S | 24 | Very low | 33 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | 60.1 | 133 | 142.5 | 60.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1208 | E | 28.5 | Very low | 35.1 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | cis | -139.2 | 177.7 | 24.8 | -66.6 | 177.3 | 140 | 0 | 0 | 112.8 | ||||
| 1209 | D | 30.6 | Very low | 37.3 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 88% | 0.882 | 66% | 0.657 | S | S | * | * | trans | -75.1 | 135.5 | -169.9 | -63.7 | -75.2 | 0 | 0 | 0 | 115.8 | ||||
| 1210 | I | 29.1 | Very low | 39.4 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | trans | -118.9 | 122.6 | 163.4 | -64.9 | 178.9 | 0 | 0 | 0 | 108.2 | Y1212 | I1210-Y1212 WeakPolarHBondContact O-CD2 2.98Å; I1210-Y1212 PolarHBondContact O-N 2.88Å | ||
| 1211 | K | 31.8 | Very low | 41.6 | Very low | 203 Ų | 203 | 120.2 Ų | 120.2 | 88% | 0.883 | 59% | 0.586 | S | S | * | * | trans | -64.7 | 115.1 | -178.3 | -66.7 | -176.2 | 176.8 | -176.1 | 0 | 110.9 | ||||
| 1212 | Y | 33.9 | Very low | 44 | Very low | 220 Ų | 220 | 117.7 Ų | 117.7 | 86% | 0.863 | 57% | 0.565 | S | S | * | * | trans | -74.3 | 135 | 174.6 | -82 | -99.8 | 0 | 0 | 0 | 111.6 | I1210 | I1210-Y1212 WeakPolarHBondContact O-CD2 2.98Å; I1210-Y1212 PolarHBondContact O-N 2.88Å | ||
| 1213 | K | 37.2 | Very low | 45.8 | Very low | 189 Ų | 189 | 111.3 Ų | 111.3 | 82% | 0.822 | 53% | 0.531 | S | S | * | . | trans | -81.6 | 148.1 | 160.1 | -83.3 | -171 | 170.6 | -168.9 | 0 | 110.1 | N1215 | K1213-N1215 PolarHBondContact O-N 3.2Š| ||
| 1214 | D | 42.1 | Very low | 47.8 | Very low | 115 Ų | 115 | 107.4 Ų | 107.4 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | trans | -78.9 | 96 | -172.3 | -143.7 | -32.2 | 0 | 0 | 0 | 111.3 | R1216 | D1214-R1216 VanDerWaalsContact C-N 3.3Å; D1214-R1216 VanDerWaalsContact CG-NE 3.28Å; D1214-R1216 VanDerWaalsContact CG-NH2 3.32Å; D1214-R1216 PolarHBondContact O-N 3.19Å; D1214-R1216 IonicContact OD1-CZ 3.17Å; D1214-R1216 IonicContact OD1-NE 2.77Å; D1214-R1216 PolarHBondContact OD1-NE 3.11Å; D1214-R1216 IonicContact OD1-NH2 3.41Å; D1214-R1216 PolarHBondContact OD1-NH2 3.48Å; D1214-R1216 IonicContact OD2-CZ 3.17Å; D1214-R1216 IonicContact OD2-NE 3.95Å; D1214-R1216 PolarHBondContact OD2-NE 3.47Å; D1214-R1216 IonicContact OD2-NH2 2.78Å; D1214-R1216 PolarHBondContact OD2-NH2 3.44Å | ||
| 1215 | N | 43.7 | Very low | 49.5 | Very low | 97 Ų | 97 | 100.7 Ų | 100.7 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | trans | -74.7 | 71.5 | -174.1 | -82.1 | -17.6 | 0 | 0 | 0 | 113.2 | K1213 | K1213-N1215 PolarHBondContact O-N 3.2Š| ||
| 1216 | R | 58.2 | Low | 51.2 | Low | 129 Ų | 129 | 92.4 Ų | 92.4 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.3 | 177.5 | -52 | -171 | -163.7 | 177.7 | 8 | 111.1 | D1214 | D1214-R1216 VanDerWaalsContact C-N 3.3Å; D1214-R1216 VanDerWaalsContact CG-NE 3.28Å; D1214-R1216 VanDerWaalsContact CG-NH2 3.32Å; D1214-R1216 PolarHBondContact O-N 3.19Å; D1214-R1216 IonicContact OD1-CZ 3.17Å; D1214-R1216 IonicContact OD1-NE 2.77Å; D1214-R1216 PolarHBondContact OD1-NE 3.11Å; D1214-R1216 IonicContact OD1-NH2 3.41Å; D1214-R1216 PolarHBondContact OD1-NH2 3.48Å; D1214-R1216 IonicContact OD2-CZ 3.17Å; D1214-R1216 IonicContact OD2-NE 3.95Å; D1214-R1216 PolarHBondContact OD2-NE 3.47Å; D1214-R1216 IonicContact OD2-NH2 2.78Å; D1214-R1216 PolarHBondContact OD2-NH2 3.44Å |
| 1217 | L | 70.1 | Confident | 52.8 | Low | 38 Ų | 38 | 87.7 Ų | 87.7 | 20% | 0.199 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 140.5 | 173.7 | -68.6 | 178.7 | 0 | 0 | 0 | 110.3 | I1192 K1194 E1238 | I1192-L1217 PolarHBondContact N-O 3.07Å; I1192-L1217 PolarHBondContact O-N 2.91Å; K1194-L1217 HydrophobicContact CG-CD1 4.49Å; L1217-E1238 HydrophobicContact CD2-CB 4.48Å; L1217-E1238 HydrophobicContact CD2-CG 3.7Å |
| 1218 | I | 75.6 | Confident | 54.2 | Low | 12 Ų | 12 | 83.1 Ų | 83.1 | 6% | 0.062 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 136.7 | 176.3 | -68.6 | 173.2 | 0 | 0 | 0 | 110.1 | A1189 L1236 S1241 F1244 | A1189-I1218 HydrophobicContact CB-CG2 4.05Å; I1218-L1236 HydrophobicContact CB-CD1 4.07Å; I1218-L1236 HydrophobicContact CG2-CD1 3.98Å; I1218-L1236 VanDerWaalsContact O-CB 3.29Å; I1218-L1236 WeakPolarHBondContact O-CB 3.43Å; I1218-L1236 WeakPolarHBondContact O-CG 3.32Å; I1218-L1236 PolarHBondContact O-N 3.36Å; I1218-S1241 PolarHBondContact N-OG 2.85Å; I1218-S1241 VanDerWaalsContact N-OG 3.07Å; I1218-F1244 WeakPolarHBondContact CD1-O 3.33Å |
| 1219 | T | 75.7 | Confident | 55.8 | Low | 5 Ų | 5 | 83.4 Ų | 83.4 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.6 | 179.2 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | A1189 L1190 I1192 S1234 T1235 | A1189-T1219 CarbonylContact C-O 3.54Å; A1189-T1219 WeakPolarHBondContact CA-O 3.31Å; L1190-T1219 PolarHBondContact N-O 3Å; L1190-T1219 PolarHBondContact O-N 3.33Å; L1190-T1219 PolarHBondContact O-OG1 3.18Å; I1192-T1219 HydrophobicContact CB-CG2 4.32Å; I1192-T1219 HydrophobicContact CD1-CG2 3.53Å; I1192-T1219 HydrophobicContact CG1-CG2 3.78Å; T1219-S1234 CarbonylContact C-O 3.42Å; T1219-S1234 WeakPolarHBondContact CA-O 3.49Å; T1219-T1235 HydrophobicContact CG2-CG2 3.61Å |
| 1220 | V | 75.7 | Confident | 57.4 | Low | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.1 | 177.3 | -171.4 | 0 | 0 | 0 | 0 | 107.7 | I1187 L1233 S1234 L1252 I1257 L1270 | I1187-V1220 HydrophobicContact CG2-CG1 3.63Å; V1220-L1233 HydrophobicContact CG1-CD1 4.3Å; V1220-L1233 WeakPolarHBondContact O-CA 3.47Å; V1220-L1233 WeakPolarHBondContact O-CB 3.41Å; V1220-L1233 PolarHBondContact O-N 3.03Å; V1220-S1234 PolarHBondContact N-O 3.27Å; V1220-S1234 PolarHBondContact O-N 2.88Å; V1220-S1234 VanDerWaalsContact O-N 3.17Å; V1220-L1252 HydrophobicContact CG1-CD1 3.91Å; V1220-L1252 HydrophobicContact CG1-CD2 4.4Å; V1220-L1252 HydrophobicContact CG1-CG 4.29Å; V1220-L1252 HydrophobicContact CG2-CD1 3.85Å; V1220-I1257 HydrophobicContact CG2-CD1 4.47Å; V1220-L1270 HydrophobicContact CG2-CD1 4.39Å |
| 1221 | A | 72 | Confident | 59.5 | Low | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1187 C1188 L1190 V1230 T1231 | I1187-A1221 WeakPolarHBondContact CA-O 3.32Å; C1188-A1221 PolarHBondContact N-O 2.92Å; C1188-A1221 PolarHBondContact O-N 3.05Å; L1190-A1221 HydrophobicContact CD1-CB 3.83Å; A1221-V1230 HydrophobicContact CB-CG1 3.91Å; A1221-T1231 CarbonylContact C-O 3.59Å; A1221-T1231 WeakPolarHBondContact CA-O 3.15Å |
| 1222 | K | 74.5 | Confident | 61.7 | Low | 67 Ų | 67 | 69.8 Ų | 69.8 | 29% | 0.291 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.7 | 176.2 | 179.7 | 174.9 | -177.5 | 175.3 | 0 | 109.7 | T1185 S1186 T1231 L1233 | T1185-K1222 WeakPolarHBondContact OG1-CE 3.42Å; T1185-K1222 PolarHBondContact OG1-NZ 2.93Å; S1186-K1222 CarbonylContact O-C 3.52Å; S1186-K1222 VanDerWaalsContact O-CA 3.24Å; S1186-K1222 WeakPolarHBondContact O-CA 3.47Å; S1186-K1222 WeakPolarHBondContact O-CG 3.31Å; K1222-T1231 PolarHBondContact N-O 2.89Å; K1222-T1231 PolarHBondContact O-N 3.3Å; K1222-T1231 PolarHBondContact O-OG1 3.38Å; K1222-L1233 HydrophobicContact CB-CD1 4.1Å; K1222-L1233 HydrophobicContact CB-CD2 3.96Å; K1222-L1233 HydrophobicContact CB-CG 4.02Å |
| 1223 | I | 63.9 | Low | 63.8 | Low | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.7 | -175.6 | -51.2 | -177.5 | 0 | 0 | 0 | 109.2 | L1164 T1185 S1186 C1188 Y1225 R1229 V1230 | L1164-I1223 HydrophobicContact CD1-CD1 4.01Å; L1164-I1223 HydrophobicContact CD2-CD1 3.94Å; T1185-I1223 CarbonylContact C-O 3.49Å; T1185-I1223 VanDerWaalsContact CA-O 3.24Å; T1185-I1223 WeakPolarHBondContact CA-O 3.24Å; S1186-I1223 PolarHBondContact N-O 3.5Å; S1186-I1223 PolarHBondContact O-N 2.64Å; C1188-I1223 HydrophobicContact CB-CD1 4.09Å; I1223-Y1225 HydrophobicContact CG2-CD1 4.17Å; I1223-Y1225 HydrophobicContact CG2-CE1 3.99Å; I1223-R1229 WeakPolarHBondContact CA-O 3.38Å; I1223-V1230 HydrophobicContact CG1-CG1 4.39Å; I1223-V1230 HydrophobicContact CG1-CG2 4.22Å; I1223-V1230 HydrophobicContact CG2-CG2 4.28Å |
| 1224 | D | 66.8 | Low | 65.7 | Low | 32 Ų | 32 | 55.2 Ų | 55.2 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 114.9 | 172.8 | 170.4 | -4.2 | 0 | 0 | 0 | 110 | P1184 T1185 F1226 T1227 G1228 R1229 | P1184-D1224 WeakPolarHBondContact CG-OD1 3.42Å; T1185-D1224 HydrophobicContact CG2-CB 4.02Å; D1224-F1226 WeakPolarHBondContact OD1-CA 3.4Å; D1224-F1226 PolarHBondContact OD1-N 3.41Å; D1224-T1227 PolarHBondContact OD1-N 3.38Å; D1224-T1227 WeakPolarHBondContact OD2-CB 3.41Å; D1224-T1227 VanDerWaalsContact OD2-CG2 3.23Å; D1224-T1227 WeakPolarHBondContact OD2-CG2 3.38Å; D1224-T1227 PolarHBondContact OD2-OG1 2.59Å; D1224-G1228 CarbonylContact O-C 3.59Å; D1224-G1228 WeakPolarHBondContact O-CA 3.44Å; D1224-G1228 PolarHBondContact O-N 2.99Å; D1224-R1229 HydrophobicContact CB-CB 4.43Å; D1224-R1229 PolarHBondContact N-O 2.88Å; D1224-R1229 PolarHBondContact O-N 3.05Å |
| 1225 | Y | 60.3 | Low | 67.5 | Low | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10.9 | 179.1 | -58.3 | -60.3 | 0 | 0 | 0 | 115.3 | V1149 W1151 L1175 P1184 S1186 I1223 | V1149-Y1225 HydrophobicContact CG1-CD1 4.31Å; V1149-Y1225 HydrophobicContact CG1-CE1 4.48Å; V1149-Y1225 HydrophobicContact CG2-CE1 4.5Å; W1151-Y1225 HydrophobicContact CZ2-CD1 4.31Å; W1151-Y1225 VanDerWaalsContact CZ2-O 3.28Å; W1151-Y1225 WeakPolarHBondContact CZ2-O 3.36Å; W1151-Y1225 PolarHBondContact NE1-O 2.93Å; L1175-Y1225 HydrophobicContact CD1-CD2 3.71Å; L1175-Y1225 HydrophobicContact CD1-CE1 4.48Å; L1175-Y1225 HydrophobicContact CD1-CE2 3.38Å; L1175-Y1225 HydrophobicContact CD1-CG 4.36Å; L1175-Y1225 HydrophobicContact CD2-CD2 3.79Å; L1175-Y1225 HydrophobicContact CD2-CE2 4.17Å; L1175-Y1225 HydrophobicContact CG-CD2 3.95Å; L1175-Y1225 HydrophobicContact CG-CE2 3.78Å; P1184-Y1225 WeakPolarHBondContact O-CD2 3.42Å; P1184-Y1225 PolarHBondContact O-N 3.23Å; S1186-Y1225 WeakPolarHBondContact OG-CE2 3.3Å; S1186-Y1225 PolarHBondContact OG-OH 2.86Å; I1223-Y1225 HydrophobicContact CG2-CD1 4.17Å; I1223-Y1225 HydrophobicContact CG2-CE1 3.99Å |
| 1226 | F | 56.9 | Low | 69.3 | Low | 67 Ų | 67 | 49.2 Ų | 49.2 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -42.6 | 172.3 | -98.2 | -54.3 | 0 | 0 | 0 | 111.4 | M1134 S1135 N1136 P1184 D1224 | M1134-F1226 HydrophobicContact CB-CE1 3.81Å; M1134-F1226 HydrophobicContact CB-CZ 4.06Å; M1134-F1226 HydrophobicContact CE-CD1 3.65Å; M1134-F1226 HydrophobicContact CE-CE1 3.68Å; M1134-F1226 HydrophobicContact SD-CD1 4.49Å; M1134-F1226 HydrophobicContact SD-CE1 4.26Å; S1135-F1226 WeakPolarHBondContact OG-CZ 3.28Å; N1136-F1226 HydrophobicContact CB-CD1 4.26Å; N1136-F1226 HydrophobicContact CB-CE1 3.92Å; P1184-F1226 HydrophobicContact CB-CB 3.86Å; P1184-F1226 HydrophobicContact CB-CD2 3.54Å; P1184-F1226 HydrophobicContact CB-CE2 4.43Å; P1184-F1226 HydrophobicContact CB-CG 4.07Å; P1184-F1226 HydrophobicContact CG-CB 4.02Å; P1184-F1226 HydrophobicContact CG-CD2 3.73Å; P1184-F1226 HydrophobicContact CG-CG 4.36Å; D1224-F1226 WeakPolarHBondContact OD1-CA 3.4Å; D1224-F1226 PolarHBondContact OD1-N 3.41Å |
| 1227 | T | 58.2 | Low | 70.4 | Confident | 70 Ų | 70 | 46.7 Ų | 46.7 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -19.7 | 175.5 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | K1160 D1224 R1229 | K1160-T1227 PolarHBondContact NZ-O 3.17Å; D1224-T1227 PolarHBondContact OD1-N 3.38Å; D1224-T1227 WeakPolarHBondContact OD2-CB 3.41Å; D1224-T1227 VanDerWaalsContact OD2-CG2 3.23Å; D1224-T1227 WeakPolarHBondContact OD2-CG2 3.38Å; D1224-T1227 PolarHBondContact OD2-OG1 2.59Å; T1227-R1229 WeakPolarHBondContact OG1-CB 3.44Å; T1227-R1229 VanDerWaalsContact OG1-CG 3.3Å; T1227-R1229 WeakPolarHBondContact OG1-CG 3.28Å; T1227-R1229 PolarHBondContact OG1-N 3.4Å |
| 1228 | G | 54 | Low | 70.7 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 48 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1160 D1224 | K1160-G1228 PolarHBondContact NZ-O 3.15Å; D1224-G1228 CarbonylContact O-C 3.59Å; D1224-G1228 WeakPolarHBondContact O-CA 3.44Å; D1224-G1228 PolarHBondContact O-N 2.99Å |
| 1229 | R | 61.3 | Low | 70.9 | Confident | 176 Ų | 176 | 55 Ų | 55 | 66% | 0.664 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135 | 174.4 | -80.1 | 178.9 | 167.7 | -175.6 | -2.8 | 110.1 | I1223 D1224 T1227 | I1223-R1229 WeakPolarHBondContact CA-O 3.38Å; D1224-R1229 HydrophobicContact CB-CB 4.43Å; D1224-R1229 PolarHBondContact N-O 2.88Å; D1224-R1229 PolarHBondContact O-N 3.05Å; T1227-R1229 WeakPolarHBondContact OG1-CB 3.44Å; T1227-R1229 VanDerWaalsContact OG1-CG 3.3Å; T1227-R1229 WeakPolarHBondContact OG1-CG 3.28Å; T1227-R1229 PolarHBondContact OG1-N 3.4Å |
| 1230 | V | 64.5 | Low | 71.2 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 40% | 0.4 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.4 | 170.1 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | L1190 A1221 I1223 | L1190-V1230 HydrophobicContact CD1-CG1 4.05Å; A1221-V1230 HydrophobicContact CB-CG1 3.91Å; I1223-V1230 HydrophobicContact CG1-CG1 4.39Å; I1223-V1230 HydrophobicContact CG1-CG2 4.22Å; I1223-V1230 HydrophobicContact CG2-CG2 4.28Å |
| 1231 | T | 74.1 | Confident | 71.4 | Confident | 72 Ų | 72 | 56.6 Ų | 56.6 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 108.8 | -177.9 | 47.9 | 0 | 0 | 0 | 0 | 110.3 | A1221 K1222 L1233 | A1221-T1231 CarbonylContact C-O 3.59Å; A1221-T1231 WeakPolarHBondContact CA-O 3.15Å; K1222-T1231 PolarHBondContact N-O 2.89Å; K1222-T1231 PolarHBondContact O-N 3.3Å; K1222-T1231 PolarHBondContact O-OG1 3.38Å; T1231-L1233 PolarHBondContact O-N 3.07Å |
| 1232 | T | 76.8 | Confident | 71.5 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 56% | 0.558 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 123.6 | -177.6 | -34.2 | 0 | 0 | 0 | 0 | 110.6 | T1235 | T1232-T1235 HydrophobicContact CG2-CG2 4.32Å |
| 1233 | L | 78 | Confident | 71.6 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 41% | 0.408 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -45.4 | 179.4 | -61.4 | 178.7 | 0 | 0 | 0 | 111.5 | I1187 V1220 K1222 T1231 N1254 | I1187-L1233 HydrophobicContact CG2-CD1 4.07Å; V1220-L1233 HydrophobicContact CG1-CD1 4.3Å; V1220-L1233 WeakPolarHBondContact O-CA 3.47Å; V1220-L1233 WeakPolarHBondContact O-CB 3.41Å; V1220-L1233 PolarHBondContact O-N 3.03Å; K1222-L1233 HydrophobicContact CB-CD1 4.1Å; K1222-L1233 HydrophobicContact CB-CD2 3.96Å; K1222-L1233 HydrophobicContact CB-CG 4.02Å; T1231-L1233 PolarHBondContact O-N 3.07Å; L1233-N1254 WeakPolarHBondContact CD1-OD1 3.24Å |
| 1234 | S | 77.4 | Confident | 72.4 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 150.6 | -179.6 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | T1219 V1220 | T1219-S1234 CarbonylContact C-O 3.42Å; T1219-S1234 WeakPolarHBondContact CA-O 3.49Å; V1220-S1234 PolarHBondContact N-O 3.27Å; V1220-S1234 PolarHBondContact O-N 2.88Å; V1220-S1234 VanDerWaalsContact O-N 3.17Å |
| 1235 | T | 80.7 | Confident | 72.5 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.5 | 171.6 | 63.4 | 0 | 0 | 0 | 0 | 108.5 | T1219 T1232 | T1219-T1235 HydrophobicContact CG2-CG2 3.61Å; T1232-T1235 HydrophobicContact CG2-CG2 4.32Å |
| 1236 | L | 81.1 | Confident | 72.6 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | trans | -71.9 | 152.3 | 174.5 | -56.2 | -170 | 0 | 0 | 0 | 109.4 | I1218 W1240 F1244 I1257 L1270 | I1218-L1236 HydrophobicContact CB-CD1 4.07Å; I1218-L1236 HydrophobicContact CG2-CD1 3.98Å; I1218-L1236 VanDerWaalsContact O-CB 3.29Å; I1218-L1236 WeakPolarHBondContact O-CB 3.43Å; I1218-L1236 WeakPolarHBondContact O-CG 3.32Å; I1218-L1236 PolarHBondContact O-N 3.36Å; L1236-W1240 HydrophobicContact CB-CB 3.83Å; L1236-W1240 HydrophobicContact CD1-CB 4.2Å; L1236-W1240 HydrophobicContact CD2-CB 4.2Å; L1236-W1240 HydrophobicContact CD2-CE3 3.92Å; L1236-W1240 HydrophobicContact CG-CB 4.29Å; L1236-F1244 HydrophobicContact CD1-CB 4.01Å; L1236-I1257 HydrophobicContact CD1-CD1 3.84Å; L1236-I1257 HydrophobicContact CD2-CD1 4.46Å; L1236-L1270 HydrophobicContact CD2-CD2 3.87Å | ||
| 1237 | N | 81.3 | Confident | 72.7 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | trans | -83.1 | -178.6 | 166.2 | 68.7 | -10.8 | 0 | 0 | 0 | 109.4 | W1240 S1241 | N1237-W1240 PolarHBondContact O-N 2.85Å; N1237-W1240 VanDerWaalsContact OD1-CB 3.31Å; N1237-W1240 WeakPolarHBondContact OD1-CB 3.42Å; N1237-W1240 PolarHBondContact OD1-N 3.43Å; N1237-S1241 WeakPolarHBondContact O-CB 3.27Å; N1237-S1241 PolarHBondContact O-N 3.11Å; N1237-S1241 PolarHBondContact O-OG 2.92Å | ||
| 1238 | E | 76.8 | Confident | 73.2 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60 | -51.4 | -179.4 | -68 | 169.5 | 154 | 0 | 0 | 110.9 | K1194 L1217 W1240 S1241 D1242 | K1194-E1238 IonicContact NZ-OE1 2.78Å; K1194-E1238 PolarHBondContact NZ-OE1 2.6Å; L1217-E1238 HydrophobicContact CD2-CB 4.48Å; L1217-E1238 HydrophobicContact CD2-CG 3.7Å; E1238-W1240 VanDerWaalsContact C-N 3.32Å; E1238-W1240 PolarHBondContact O-N 3.19Å; E1238-S1241 CarbonylContact O-C 3.52Å; E1238-S1241 WeakPolarHBondContact O-CA 3.24Å; E1238-S1241 WeakPolarHBondContact O-CB 3.2Å; E1238-S1241 PolarHBondContact O-N 3.16Å; E1238-D1242 VanDerWaalsContact O-CG 3.3Å; E1238-D1242 PolarHBondContact O-N 2.85Å |
| 1239 | Q | 78.1 | Confident | 73.9 | Confident | 135 Ų | 135 | 63.9 Ų | 63.9 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -53.7 | -41.8 | 177.1 | -67.9 | 175.7 | -30 | 0 | 0 | 114 | I1243 | Q1239-I1243 WeakPolarHBondContact O-CD1 3.06Å; Q1239-I1243 VanDerWaalsContact O-CG1 3.27Å; Q1239-I1243 WeakPolarHBondContact O-CG1 3.4Å; Q1239-I1243 PolarHBondContact O-N 2.9Å |
| 1240 | W | 82.6 | Confident | 74.3 | Confident | 31 Ų | 31 | 59 Ų | 59 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -77.4 | -25.9 | 175.4 | -76.5 | 51.2 | 0 | 0 | 0 | 112.3 | L1236 N1237 E1238 F1244 I1257 L1270 K1273 M1275 | L1236-W1240 HydrophobicContact CB-CB 3.83Å; L1236-W1240 HydrophobicContact CD1-CB 4.2Å; L1236-W1240 HydrophobicContact CD2-CB 4.2Å; L1236-W1240 HydrophobicContact CD2-CE3 3.92Å; L1236-W1240 HydrophobicContact CG-CB 4.29Å; N1237-W1240 PolarHBondContact O-N 2.85Å; N1237-W1240 VanDerWaalsContact OD1-CB 3.31Å; N1237-W1240 WeakPolarHBondContact OD1-CB 3.42Å; N1237-W1240 PolarHBondContact OD1-N 3.43Å; E1238-W1240 VanDerWaalsContact C-N 3.32Å; E1238-W1240 PolarHBondContact O-N 3.19Å; W1240-F1244 HydrophobicContact CB-CD2 4.1Å; W1240-F1244 HydrophobicContact CD2-CD2 4.24Å; W1240-F1244 AromaticContact CD2-CE2 3.87Å; W1240-F1244 HydrophobicContact CD2-CE2 3.87Å; W1240-F1244 AromaticContact CE3-CD2 3.88Å; W1240-F1244 HydrophobicContact CE3-CD2 3.88Å; W1240-F1244 AromaticContact CE3-CE2 3.53Å; W1240-F1244 HydrophobicContact CE3-CE2 3.53Å; W1240-F1244 HydrophobicContact CE3-CZ 4.46Å; W1240-F1244 HydrophobicContact CG-CD2 4.35Å; W1240-F1244 HydrophobicContact CG-CE2 4.3Å; W1240-F1244 HydrophobicContact CZ3-CE2 4.05Å; W1240-F1244 WeakPolarHBondContact O-CA 3.32Å; W1240-F1244 VanDerWaalsContact O-CB 3.27Å; W1240-F1244 WeakPolarHBondContact O-CB 3.43Å; W1240-F1244 VanDerWaalsContact O-CD2 3.28Å; W1240-F1244 WeakPolarHBondContact O-CD2 3.33Å; W1240-F1244 PolarHBondContact O-N 2.89Å; W1240-I1257 HydrophobicContact CE3-CG2 4.1Å; W1240-I1257 HydrophobicContact CZ3-CG2 3.72Å; W1240-L1270 HydrophobicContact CE3-CD2 4.26Å; W1240-L1270 HydrophobicContact CZ3-CD2 3.82Å; W1240-K1273 WeakPolarHBondContact CZ2-O 3.11Å; W1240-M1275 HydrophobicContact CD2-SD 4.5Å; W1240-M1275 HydrophobicContact CH2-SD 3.97Å; W1240-M1275 HydrophobicContact CZ2-CG 4.12Å; W1240-M1275 HydrophobicContact CZ2-SD 3.64Å |
| 1241 | S | 79.5 | Confident | 74.7 | Confident | 8 Ų | 8 | 56 Ų | 56 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75 | -33 | 174.8 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | I1218 N1237 E1238 S1245 | I1218-S1241 PolarHBondContact N-OG 2.85Å; I1218-S1241 VanDerWaalsContact N-OG 3.07Å; N1237-S1241 WeakPolarHBondContact O-CB 3.27Å; N1237-S1241 PolarHBondContact O-N 3.11Å; N1237-S1241 PolarHBondContact O-OG 2.92Å; E1238-S1241 CarbonylContact O-C 3.52Å; E1238-S1241 WeakPolarHBondContact O-CA 3.24Å; E1238-S1241 WeakPolarHBondContact O-CB 3.2Å; E1238-S1241 PolarHBondContact O-N 3.16Å; S1241-S1245 PolarHBondContact O-N 3.11Å |
| 1242 | D | 75.1 | Confident | 74.5 | Confident | 120 Ų | 120 | 54.6 Ų | 54.6 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.4 | -49.3 | 171.2 | -65.4 | -33.6 | 0 | 0 | 0 | 110.7 | E1238 | E1238-D1242 VanDerWaalsContact O-CG 3.3Å; E1238-D1242 PolarHBondContact O-N 2.85Å |
| 1243 | I | 77.1 | Confident | 74.4 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.4 | -49.9 | -179.6 | -67.6 | 166.8 | 0 | 0 | 0 | 111.5 | Q1239 S1245 S1248 S1259 Y1266 | Q1239-I1243 WeakPolarHBondContact O-CD1 3.06Å; Q1239-I1243 VanDerWaalsContact O-CG1 3.27Å; Q1239-I1243 WeakPolarHBondContact O-CG1 3.4Å; Q1239-I1243 PolarHBondContact O-N 2.9Å; I1243-S1245 VanDerWaalsContact C-N 3.33Å; I1243-S1245 PolarHBondContact O-N 3.39Å; I1243-S1248 PolarHBondContact O-OG 3.01Å; I1243-S1259 WeakPolarHBondContact O-CB 3.41Å; I1243-S1259 PolarHBondContact O-OG 2.89Å; I1243-Y1266 HydrophobicContact CD1-CD1 4.45Å; I1243-Y1266 HydrophobicContact CG2-CD1 3.93Å; I1243-Y1266 HydrophobicContact CG2-CD2 4.01Å; I1243-Y1266 HydrophobicContact CG2-CG 3.55Å |
| 1244 | F | 79.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 46.3 | -176.1 | -56.6 | -80.2 | 0 | 0 | 0 | 111.8 | I1218 L1236 W1240 L1249 I1257 Y1266 M1275 | I1218-F1244 WeakPolarHBondContact CD1-O 3.33Å; L1236-F1244 HydrophobicContact CD1-CB 4.01Å; W1240-F1244 HydrophobicContact CB-CD2 4.1Å; W1240-F1244 HydrophobicContact CD2-CD2 4.24Å; W1240-F1244 AromaticContact CD2-CE2 3.87Å; W1240-F1244 HydrophobicContact CD2-CE2 3.87Å; W1240-F1244 AromaticContact CE3-CD2 3.88Å; W1240-F1244 HydrophobicContact CE3-CD2 3.88Å; W1240-F1244 AromaticContact CE3-CE2 3.53Å; W1240-F1244 HydrophobicContact CE3-CE2 3.53Å; W1240-F1244 HydrophobicContact CE3-CZ 4.46Å; W1240-F1244 HydrophobicContact CG-CD2 4.35Å; W1240-F1244 HydrophobicContact CG-CE2 4.3Å; W1240-F1244 HydrophobicContact CZ3-CE2 4.05Å; W1240-F1244 WeakPolarHBondContact O-CA 3.32Å; W1240-F1244 VanDerWaalsContact O-CB 3.27Å; W1240-F1244 WeakPolarHBondContact O-CB 3.43Å; W1240-F1244 VanDerWaalsContact O-CD2 3.28Å; W1240-F1244 WeakPolarHBondContact O-CD2 3.33Å; W1240-F1244 PolarHBondContact O-N 2.89Å; F1244-L1249 HydrophobicContact CB-CG 4.39Å; F1244-L1249 WeakPolarHBondContact O-CD1 3.23Å; F1244-I1257 HydrophobicContact CB-CD1 3.73Å; F1244-I1257 HydrophobicContact CB-CG1 4.25Å; F1244-I1257 HydrophobicContact CD1-CB 4.33Å; F1244-I1257 HydrophobicContact CD1-CD1 4.06Å; F1244-I1257 HydrophobicContact CD1-CG1 3.68Å; F1244-I1257 HydrophobicContact CD1-CG2 4.07Å; F1244-I1257 HydrophobicContact CD2-CD1 4.38Å; F1244-I1257 HydrophobicContact CD2-CG2 4.26Å; F1244-I1257 HydrophobicContact CE1-CB 4.37Å; F1244-I1257 HydrophobicContact CE1-CG1 4.2Å; F1244-I1257 HydrophobicContact CE1-CG2 3.84Å; F1244-I1257 WeakPolarHBondContact CE1-O 3.35Å; F1244-I1257 HydrophobicContact CE2-CG2 4.03Å; F1244-I1257 HydrophobicContact CG-CD1 3.81Å; F1244-I1257 HydrophobicContact CG-CG1 3.98Å; F1244-I1257 HydrophobicContact CG-CG2 4.29Å; F1244-I1257 HydrophobicContact CZ-CG2 3.81Å; F1244-Y1266 WeakPolarHBondContact CE1-O 3.41Å; F1244-M1275 HydrophobicContact CE2-CE 4.28Å; F1244-M1275 HydrophobicContact CE2-SD 3.95Å; F1244-M1275 HydrophobicContact CZ-CE 3.84Å; F1244-M1275 HydrophobicContact CZ-SD 3.96Å |
| 1245 | S | 69 | Low | 74 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | -56.8 | 154.8 | 173 | 82.4 | 0 | 0 | 0 | 0 | 111.7 | S1241 I1243 S1247 S1248 L1249 | S1241-S1245 PolarHBondContact O-N 3.11Å; I1243-S1245 VanDerWaalsContact C-N 3.33Å; I1243-S1245 PolarHBondContact O-N 3.39Å; S1245-S1247 PolarHBondContact O-N 3.04Å; S1245-S1247 VanDerWaalsContact O-N 3.15Å; S1245-S1247 PolarHBondContact OG-N 2.94Å; S1245-S1247 PolarHBondContact OG-OG 3.5Å; S1245-S1248 PolarHBondContact N-OG 3.39Å; S1245-S1248 PolarHBondContact O-N 2.91Å; S1245-S1248 PolarHBondContact O-OG 3.25Å; S1245-S1248 WeakPolarHBondContact OG-CB 3.36Å; S1245-S1248 PolarHBondContact OG-N 3.1Å; S1245-S1248 VanDerWaalsContact OG-N 3.12Å; S1245-S1248 PolarHBondContact OG-OG 2.88Å; S1245-L1249 WeakPolarHBondContact O-CB 3.39Å; S1245-L1249 PolarHBondContact O-N 3.15Å | ||
| 1246 | M | 63.1 | Low | 74.1 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.4 | 174.9 | -74.2 | -63.1 | -138.8 | 0 | 0 | 113.1 | A1189 L1249 | A1189-M1246 HydrophobicContact CB-CE 3.76Å; A1189-M1246 HydrophobicContact CB-SD 3.71Å; A1189-M1246 VanDerWaalsContact O-CE 3.29Å; A1189-M1246 WeakPolarHBondContact O-CE 3.42Å; M1246-L1249 HydrophobicContact SD-CD1 4.24Å |
| 1247 | S | 58.7 | Low | 74.2 | Confident | 119 Ų | 119 | 49.2 Ų | 49.2 | 83% | 0.832 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -22.3 | 176.8 | 31.7 | 0 | 0 | 0 | 0 | 114.9 | S1245 | S1245-S1247 PolarHBondContact O-N 3.04Å; S1245-S1247 VanDerWaalsContact O-N 3.15Å; S1245-S1247 PolarHBondContact OG-N 2.94Å; S1245-S1247 PolarHBondContact OG-OG 3.5Å |
| 1248 | S | 67.6 | Low | 74.3 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -10.9 | -177.5 | 56 | 0 | 0 | 0 | 0 | 113.8 | I1243 S1245 I1250 S1259 L1260 | I1243-S1248 PolarHBondContact O-OG 3.01Å; S1245-S1248 PolarHBondContact N-OG 3.39Å; S1245-S1248 PolarHBondContact O-N 2.91Å; S1245-S1248 PolarHBondContact O-OG 3.25Å; S1245-S1248 WeakPolarHBondContact OG-CB 3.36Å; S1245-S1248 PolarHBondContact OG-N 3.1Å; S1245-S1248 VanDerWaalsContact OG-N 3.12Å; S1245-S1248 PolarHBondContact OG-OG 2.88Å; S1248-I1250 PolarHBondContact O-N 3.37Å; S1248-S1259 VanDerWaalsContact CB-OG 3.28Å; S1248-S1259 WeakPolarHBondContact CB-OG 3.45Å; S1248-S1259 WeakPolarHBondContact O-CA 3.43Å; S1248-S1259 PolarHBondContact O-OG 3.46Å; S1248-S1259 PolarHBondContact OG-OG 3.32Å; S1248-L1260 WeakPolarHBondContact CB-O 3.31Å; S1248-L1260 PolarHBondContact O-N 2.65Å |
| 1249 | L | 69 | Low | 74.5 | Confident | 27 Ų | 27 | 41.3 Ų | 41.3 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 113.4 | 178.1 | -102.5 | 164.7 | 0 | 0 | 0 | 113 | A1189 F1244 S1245 M1246 L1251 L1252 I1257 | A1189-L1249 HydrophobicContact CB-CD1 4.23Å; F1244-L1249 HydrophobicContact CB-CG 4.39Å; F1244-L1249 WeakPolarHBondContact O-CD1 3.23Å; S1245-L1249 WeakPolarHBondContact O-CB 3.39Å; S1245-L1249 PolarHBondContact O-N 3.15Å; M1246-L1249 HydrophobicContact SD-CD1 4.24Å; L1249-L1251 WeakPolarHBondContact CD2-O 3.15Å; L1249-L1252 HydrophobicContact CD2-CB 4.47Å; L1249-L1252 HydrophobicContact CD2-CD1 4.35Å; L1249-I1257 HydrophobicContact CD2-CD1 4.06Å; L1249-I1257 HydrophobicContact CD2-CG1 3.64Å |
| 1250 | I | 69.6 | Low | 74.5 | Confident | 73 Ų | 73 | 36.2 Ų | 36.2 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -30 | 173.6 | -61 | -165.5 | 0 | 0 | 0 | 112 | S1248 G1258 L1260 F1287 | S1248-I1250 PolarHBondContact O-N 3.37Å; I1250-G1258 PolarHBondContact N-O 3.34Å; I1250-L1260 HydrophobicContact CD1-CB 3.48Å; I1250-L1260 VanDerWaalsContact CD1-CB 3.48Å; I1250-L1260 HydrophobicContact CD1-CD2 3.74Å; I1250-L1260 HydrophobicContact CD1-CG 4.28Å; I1250-L1260 HydrophobicContact CG1-CB 4.19Å; I1250-F1287 HydrophobicContact CG2-CD1 3.47Å; I1250-F1287 VanDerWaalsContact CG2-CD1 3.47Å; I1250-F1287 HydrophobicContact CG2-CE1 3.54Å; I1250-F1287 HydrophobicContact CG2-CG 4.31Å; I1250-F1287 HydrophobicContact CG2-CZ 4.43Å |
| 1251 | L | 73 | Confident | 74.1 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.4 | -178.8 | 175.6 | 70.2 | 0 | 0 | 0 | 111.3 | L1249 T1253 W1256 I1257 G1258 L1267 F1287 Y1289 I1296 | L1249-L1251 WeakPolarHBondContact CD2-O 3.15Å; L1251-T1253 HydrophobicContact CD1-CG2 3.72Å; L1251-T1253 HydrophobicContact CG-CG2 4.27Å; L1251-W1256 HydrophobicContact CD2-CB 4Å; L1251-I1257 WeakPolarHBondContact O-CA 3.31Å; L1251-G1258 PolarHBondContact N-O 3.02Å; L1251-G1258 PolarHBondContact O-N 3.26Å; L1251-L1267 HydrophobicContact CD2-CD1 3.86Å; L1251-F1287 HydrophobicContact CB-CZ 4.01Å; L1251-F1287 HydrophobicContact CD2-CZ 4.33Å; L1251-Y1289 HydrophobicContact CD1-CD1 3.49Å; L1251-Y1289 VanDerWaalsContact CD1-CD1 3.49Å; L1251-Y1289 HydrophobicContact CD1-CD2 3.5Å; L1251-Y1289 VanDerWaalsContact CD1-CD2 3.5Å; L1251-Y1289 HydrophobicContact CD1-CE1 3.69Å; L1251-Y1289 HydrophobicContact CD1-CE2 3.75Å; L1251-Y1289 HydrophobicContact CD1-CG 3.39Å; L1251-I1296 HydrophobicContact CD2-CD1 3.58Å; L1251-I1296 HydrophobicContact CD2-CG1 3.85Å; L1251-I1296 HydrophobicContact CD2-CG2 4.19Å |
| 1252 | L | 71 | Confident | 73.8 | Confident | 43 Ų | 43 | 44 Ų | 44 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 118.2 | 171.9 | -169.6 | 71.1 | 0 | 0 | 0 | 110.9 | I1187 A1189 V1220 L1249 I1257 | I1187-L1252 HydrophobicContact CG2-CD2 4.46Å; A1189-L1252 HydrophobicContact CB-CD2 4.02Å; V1220-L1252 HydrophobicContact CG1-CD1 3.91Å; V1220-L1252 HydrophobicContact CG1-CD2 4.4Å; V1220-L1252 HydrophobicContact CG1-CG 4.29Å; V1220-L1252 HydrophobicContact CG2-CD1 3.85Å; L1249-L1252 HydrophobicContact CD2-CB 4.47Å; L1249-L1252 HydrophobicContact CD2-CD1 4.35Å; L1252-I1257 HydrophobicContact CD1-CD1 3.97Å; L1252-I1257 HydrophobicContact CD1-CG1 3.91Å |
| 1253 | T | 74.9 | Confident | 73.7 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | trans | -135.5 | -179.5 | 176.5 | 86.5 | 0 | 0 | 0 | 0 | 110.7 | L1251 Q1255 W1256 Y1289 | L1251-T1253 HydrophobicContact CD1-CG2 3.72Å; L1251-T1253 HydrophobicContact CG-CG2 4.27Å; T1253-Q1255 PolarHBondContact O-N 3.04Å; T1253-Q1255 VanDerWaalsContact O-N 3.16Å; T1253-Q1255 PolarHBondContact OG1-N 2.73Å; T1253-Q1255 VanDerWaalsContact OG1-N 3.15Å; T1253-W1256 HydrophobicContact CG2-CB 4.39Å; T1253-W1256 PolarHBondContact N-O 3.28Å; T1253-W1256 PolarHBondContact OG1-N 2.98Å; T1253-Y1289 HydrophobicContact CG2-CE1 4.32Å; T1253-Y1289 HydrophobicContact CG2-CE2 4.11Å; T1253-Y1289 VanDerWaalsContact CG2-OH 3.26Å; T1253-Y1289 WeakPolarHBondContact CG2-OH 3.5Å | ||
| 1254 | N | 71.9 | Confident | 73.9 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -61.5 | -20.1 | 174.6 | -79.2 | -46 | 0 | 0 | 0 | 113.1 | I1187 L1233 | I1187-N1254 HydrophobicContact CD1-CB 4.22Å; I1187-N1254 VanDerWaalsContact CD1-CG 3.41Å; I1187-N1254 VanDerWaalsContact CD1-OD1 3.25Å; I1187-N1254 WeakPolarHBondContact CD1-OD1 3.35Å; L1233-N1254 WeakPolarHBondContact CD1-OD1 3.24Å |
| 1255 | Q | 75.5 | Confident | 74.2 | Confident | 70 Ų | 70 | 41.6 Ų | 41.6 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -132.1 | -19.7 | -172.3 | -60.9 | -173.2 | 7.6 | 0 | 0 | 114.6 | T1253 Y1269 L1270 P1271 | T1253-Q1255 PolarHBondContact O-N 3.04Å; T1253-Q1255 VanDerWaalsContact O-N 3.16Å; T1253-Q1255 PolarHBondContact OG1-N 2.73Å; T1253-Q1255 VanDerWaalsContact OG1-N 3.15Å; Q1255-Y1269 HydrophobicContact CB-CD2 4.39Å; Q1255-Y1269 HydrophobicContact CB-CE2 3.82Å; Q1255-Y1269 CarbonylContact O-C 3.44Å; Q1255-Y1269 WeakPolarHBondContact O-CD2 3.37Å; Q1255-Y1269 PolarHBondContact OE1-OH 2.86Å; Q1255-L1270 PolarHBondContact O-N 3.29Å; Q1255-P1271 HydrophobicContact CB-CG 3.9Å; Q1255-P1271 HydrophobicContact CG-CG 3.91Å; Q1255-P1271 WeakPolarHBondContact O-CD 3.49Å |
| 1256 | W | 81.4 | Confident | 75 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.5 | -173 | -66.9 | 86.6 | 0 | 0 | 0 | 110.7 | L1251 T1253 L1267 Y1269 I1276 I1296 I1308 I1310 F1382 | L1251-W1256 HydrophobicContact CD2-CB 4Å; T1253-W1256 HydrophobicContact CG2-CB 4.39Å; T1253-W1256 PolarHBondContact N-O 3.28Å; T1253-W1256 PolarHBondContact OG1-N 2.98Å; W1256-L1267 HydrophobicContact CE3-CD1 3.93Å; W1256-L1267 HydrophobicContact CE3-CD2 4.15Å; W1256-L1267 HydrophobicContact CE3-CG 3.93Å; W1256-L1267 HydrophobicContact CZ3-CD1 4.41Å; W1256-L1267 HydrophobicContact CZ3-CD2 3.82Å; W1256-L1267 HydrophobicContact CZ3-CG 3.93Å; W1256-Y1269 AromaticContact CD2-CD2 3.81Å; W1256-Y1269 HydrophobicContact CD2-CD2 3.81Å; W1256-Y1269 AromaticContact CE2-CD2 3.5Å; W1256-Y1269 VanDerWaalsContact CE2-CD2 3.5Å; W1256-Y1269 AromaticContact CE2-CE2 3.92Å; W1256-Y1269 HydrophobicContact CE3-CD2 4.32Å; W1256-Y1269 HydrophobicContact CG-CD2 4.25Å; W1256-Y1269 HydrophobicContact CH2-CD2 4.36Å; W1256-Y1269 AromaticContact CZ2-CD2 3.81Å; W1256-Y1269 HydrophobicContact CZ2-CD2 3.81Å; W1256-Y1269 HydrophobicContact CZ2-CE2 4.25Å; W1256-Y1269 AromaticContact NE1-CD2 3.68Å; W1256-Y1269 AromaticContact NE1-CE2 3.69Å; W1256-I1276 HydrophobicContact CH2-CG1 4.26Å; W1256-I1276 HydrophobicContact CZ3-CB 4.38Å; W1256-I1276 HydrophobicContact CZ3-CG1 3.85Å; W1256-I1276 HydrophobicContact CZ3-CG2 4.49Å; W1256-I1296 HydrophobicContact CB-CD1 4.03Å; W1256-I1296 HydrophobicContact CD2-CD1 3.59Å; W1256-I1296 HydrophobicContact CE3-CD1 3.72Å; W1256-I1296 HydrophobicContact CG-CD1 3.76Å; W1256-I1296 HydrophobicContact CZ3-CD1 4.32Å; W1256-I1308 HydrophobicContact CH2-CD1 3.96Å; W1256-I1308 HydrophobicContact CH2-CG2 3.82Å; W1256-I1308 HydrophobicContact CZ2-CG2 3.91Å; W1256-I1308 HydrophobicContact CZ3-CD1 4.07Å; W1256-I1310 HydrophobicContact CG-CG1 4.48Å; W1256-F1382 AromaticContact CH2-CE1 3.84Å; W1256-F1382 HydrophobicContact CH2-CE1 3.84Å; W1256-F1382 AromaticContact CH2-CZ 3.56Å; W1256-F1382 HydrophobicContact CH2-CZ 3.56Å; W1256-F1382 AromaticContact CZ2-CE1 3.88Å; W1256-F1382 HydrophobicContact CZ2-CE1 3.88Å; W1256-F1382 AromaticContact CZ2-CZ 3.82Å; W1256-F1382 HydrophobicContact CZ2-CZ 3.82Å |
| 1257 | I | 84 | Confident | 76.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131.5 | 174.3 | -163.7 | 174.5 | 0 | 0 | 0 | 108.8 | V1220 L1236 W1240 F1244 L1249 L1251 L1252 G1268 L1270 | V1220-I1257 HydrophobicContact CG2-CD1 4.47Å; L1236-I1257 HydrophobicContact CD1-CD1 3.84Å; L1236-I1257 HydrophobicContact CD2-CD1 4.46Å; W1240-I1257 HydrophobicContact CE3-CG2 4.1Å; W1240-I1257 HydrophobicContact CZ3-CG2 3.72Å; F1244-I1257 HydrophobicContact CB-CD1 3.73Å; F1244-I1257 HydrophobicContact CB-CG1 4.25Å; F1244-I1257 HydrophobicContact CD1-CB 4.33Å; F1244-I1257 HydrophobicContact CD1-CD1 4.06Å; F1244-I1257 HydrophobicContact CD1-CG1 3.68Å; F1244-I1257 HydrophobicContact CD1-CG2 4.07Å; F1244-I1257 HydrophobicContact CD2-CD1 4.38Å; F1244-I1257 HydrophobicContact CD2-CG2 4.26Å; F1244-I1257 HydrophobicContact CE1-CB 4.37Å; F1244-I1257 HydrophobicContact CE1-CG1 4.2Å; F1244-I1257 HydrophobicContact CE1-CG2 3.84Å; F1244-I1257 WeakPolarHBondContact CE1-O 3.35Å; F1244-I1257 HydrophobicContact CE2-CG2 4.03Å; F1244-I1257 HydrophobicContact CG-CD1 3.81Å; F1244-I1257 HydrophobicContact CG-CG1 3.98Å; F1244-I1257 HydrophobicContact CG-CG2 4.29Å; F1244-I1257 HydrophobicContact CZ-CG2 3.81Å; L1249-I1257 HydrophobicContact CD2-CD1 4.06Å; L1249-I1257 HydrophobicContact CD2-CG1 3.64Å; L1251-I1257 WeakPolarHBondContact O-CA 3.31Å; L1252-I1257 HydrophobicContact CD1-CD1 3.97Å; L1252-I1257 HydrophobicContact CD1-CG1 3.91Å; I1257-G1268 PolarHBondContact N-O 3.2Å; I1257-G1268 PolarHBondContact O-N 2.93Å; I1257-L1270 HydrophobicContact CB-CD1 4.12Å; I1257-L1270 HydrophobicContact CB-CG 4.22Å; I1257-L1270 HydrophobicContact CG2-CD1 4.36Å; I1257-L1270 HydrophobicContact CG2-CD2 3.93Å; I1257-L1270 HydrophobicContact CG2-CG 3.92Å |
| 1258 | G | 82.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1250 L1251 Y1266 | I1250-G1258 PolarHBondContact N-O 3.34Å; L1251-G1258 PolarHBondContact N-O 3.02Å; L1251-G1258 PolarHBondContact O-N 3.26Å; G1258-Y1266 CarbonylContact C-O 3.39Å; G1258-Y1266 WeakPolarHBondContact CA-O 3.49Å |
| 1259 | S | 81.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.4 | -176.6 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | I1243 S1248 F1265 Y1266 | I1243-S1259 WeakPolarHBondContact O-CB 3.41Å; I1243-S1259 PolarHBondContact O-OG 2.89Å; S1248-S1259 VanDerWaalsContact CB-OG 3.28Å; S1248-S1259 WeakPolarHBondContact CB-OG 3.45Å; S1248-S1259 WeakPolarHBondContact O-CA 3.43Å; S1248-S1259 PolarHBondContact O-OG 3.46Å; S1248-S1259 PolarHBondContact OG-OG 3.32Å; S1259-F1265 WeakPolarHBondContact O-CD2 3.36Å; S1259-Y1266 PolarHBondContact N-O 3.47Å; S1259-Y1266 PolarHBondContact O-N 3.24Å |
| 1260 | L | 77.6 | Confident | 78.8 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121.8 | 173.8 | -173.3 | 70.8 | 0 | 0 | 0 | 108.4 | S1248 I1250 T1264 F1265 | S1248-L1260 WeakPolarHBondContact CB-O 3.31Å; S1248-L1260 PolarHBondContact O-N 2.65Å; I1250-L1260 HydrophobicContact CD1-CB 3.48Å; I1250-L1260 VanDerWaalsContact CD1-CB 3.48Å; I1250-L1260 HydrophobicContact CD1-CD2 3.74Å; I1250-L1260 HydrophobicContact CD1-CG 4.28Å; I1250-L1260 HydrophobicContact CG1-CB 4.19Å; L1260-T1264 WeakPolarHBondContact CA-O 3.45Å; L1260-F1265 HydrophobicContact CD1-CB 3.97Å; L1260-F1265 HydrophobicContact CD1-CD2 4.38Å |
| 1261 | I | 75.3 | Confident | 79.1 | Confident | 62 Ų | 62 | 34 Ų | 34 | 32% | 0.318 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 110.6 | 175.8 | -57 | 176.1 | 0 | 0 | 0 | 106.5 | T1263 T1264 Y1266 | I1261-T1263 PolarHBondContact O-N 2.87Å; I1261-T1264 PolarHBondContact N-O 3.25Å; I1261-T1264 PolarHBondContact O-N 3.39Å; I1261-T1264 PolarHBondContact O-OG1 2.92Å; I1261-Y1266 HydrophobicContact CB-CE2 4.44Å; I1261-Y1266 HydrophobicContact CD1-CE2 4.23Å; I1261-Y1266 HydrophobicContact CG1-CE2 4.43Å |
| 1262 | D | 72.5 | Confident | 79.2 | Confident | 141 Ų | 141 | 39.9 Ų | 39.9 | 75% | 0.754 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -102.3 | -165.3 | -57.3 | -50.4 | 0 | 0 | 0 | 112 | H1285 | D1262-H1285 PolarHBondContact O-CE1 3.12Å; D1262-H1285 VanDerWaalsContact O-CE1 3.23Å; D1262-H1285 PolarHBondContact O-ND1 3.3Å |
| 1263 | T | 73.8 | Confident | 79.3 | Confident | 61 Ų | 61 | 44.6 Ų | 44.6 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -8.4 | 173.9 | 54 | 0 | 0 | 0 | 0 | 113.4 | I1261 T1281 I1282 | I1261-T1263 PolarHBondContact O-N 2.87Å; T1263-T1281 WeakPolarHBondContact O-CA 2.94Å; T1263-I1282 PolarHBondContact O-N 3.35Å; T1263-I1282 VanDerWaalsContact O-N 3.14Å |
| 1264 | T | 80 | Confident | 79.4 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 118.8 | -174.9 | 62.7 | 0 | 0 | 0 | 0 | 111.8 | L1260 I1261 Y1266 Y1280 | L1260-T1264 WeakPolarHBondContact CA-O 3.45Å; I1261-T1264 PolarHBondContact N-O 3.25Å; I1261-T1264 PolarHBondContact O-N 3.39Å; I1261-T1264 PolarHBondContact O-OG1 2.92Å; T1264-Y1266 WeakPolarHBondContact O-CD2 3.45Å; T1264-Y1266 WeakPolarHBondContact O-CE2 3.47Å; T1264-Y1266 WeakPolarHBondContact OG1-CE2 3.37Å; T1264-Y1280 WeakPolarHBondContact CA-O 3.26Å |
| 1265 | F | 86.2 | Confident | 79.8 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 139.6 | -176.3 | -177.5 | -121.2 | 0 | 0 | 0 | 112.3 | S1259 L1260 L1267 I1277 G1279 Y1280 I1282 F1287 F1298 | S1259-F1265 WeakPolarHBondContact O-CD2 3.36Å; L1260-F1265 HydrophobicContact CD1-CB 3.97Å; L1260-F1265 HydrophobicContact CD1-CD2 4.38Å; F1265-L1267 HydrophobicContact CE1-CB 3.8Å; F1265-L1267 HydrophobicContact CE1-CD2 4.25Å; F1265-L1267 HydrophobicContact CE1-CG 4.46Å; F1265-L1267 HydrophobicContact CZ-CB 3.95Å; F1265-L1267 HydrophobicContact CZ-CD1 4.14Å; F1265-L1267 HydrophobicContact CZ-CD2 4.41Å; F1265-L1267 HydrophobicContact CZ-CG 4.39Å; F1265-I1277 HydrophobicContact CD1-CD1 4.15Å; F1265-I1277 HydrophobicContact CD1-CG2 4.23Å; F1265-I1277 HydrophobicContact CE1-CD1 4.03Å; F1265-G1279 WeakPolarHBondContact O-CA 3.39Å; F1265-G1279 PolarHBondContact O-N 3.14Å; F1265-G1279 VanDerWaalsContact O-N 3.11Å; F1265-Y1280 PolarHBondContact N-O 3.17Å; F1265-Y1280 PolarHBondContact O-N 3.45Å; F1265-I1282 HydrophobicContact CB-CB 4.46Å; F1265-I1282 HydrophobicContact CB-CD1 3.56Å; F1265-I1282 HydrophobicContact CB-CG1 3.63Å; F1265-I1282 HydrophobicContact CD1-CD1 3.61Å; F1265-I1282 HydrophobicContact CD1-CG1 4.09Å; F1265-I1282 HydrophobicContact CD2-CD1 3.68Å; F1265-I1282 HydrophobicContact CE1-CD1 4.16Å; F1265-I1282 HydrophobicContact CE2-CD1 4.25Å; F1265-I1282 HydrophobicContact CG-CD1 3.33Å; F1265-I1282 HydrophobicContact CG-CG1 3.92Å; F1265-I1282 HydrophobicContact CZ-CD1 4.46Å; F1265-F1287 AromaticContact CE2-CD2 3.81Å; F1265-F1287 HydrophobicContact CE2-CD2 3.81Å; F1265-F1287 AromaticContact CE2-CE2 3.86Å; F1265-F1287 HydrophobicContact CE2-CE2 3.86Å; F1265-F1287 AromaticContact CZ-CD2 3.75Å; F1265-F1287 HydrophobicContact CZ-CD2 3.75Å; F1265-F1287 AromaticContact CZ-CE2 3.57Å; F1265-F1287 HydrophobicContact CZ-CE2 3.57Å; F1265-F1298 AromaticContact CE1-CD1 3.93Å; F1265-F1298 HydrophobicContact CE1-CD1 3.93Å; F1265-F1298 HydrophobicContact CE1-CE1 4.37Å; F1265-F1298 HydrophobicContact CE1-CG 4.05Å; F1265-F1298 HydrophobicContact CZ-CD1 4.43Å |
| 1266 | Y | 86.2 | Confident | 80.1 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.4 | -178.6 | -61.8 | -88.1 | 0 | 0 | 0 | 108.9 | I1243 F1244 G1258 S1259 I1261 T1264 M1275 I1277 G1279 | I1243-Y1266 HydrophobicContact CD1-CD1 4.45Å; I1243-Y1266 HydrophobicContact CG2-CD1 3.93Å; I1243-Y1266 HydrophobicContact CG2-CD2 4.01Å; I1243-Y1266 HydrophobicContact CG2-CG 3.55Å; F1244-Y1266 WeakPolarHBondContact CE1-O 3.41Å; G1258-Y1266 CarbonylContact C-O 3.39Å; G1258-Y1266 WeakPolarHBondContact CA-O 3.49Å; S1259-Y1266 PolarHBondContact N-O 3.47Å; S1259-Y1266 PolarHBondContact O-N 3.24Å; I1261-Y1266 HydrophobicContact CB-CE2 4.44Å; I1261-Y1266 HydrophobicContact CD1-CE2 4.23Å; I1261-Y1266 HydrophobicContact CG1-CE2 4.43Å; T1264-Y1266 WeakPolarHBondContact O-CD2 3.45Å; T1264-Y1266 WeakPolarHBondContact O-CE2 3.47Å; T1264-Y1266 WeakPolarHBondContact OG1-CE2 3.37Å; Y1266-M1275 HydrophobicContact CD1-CE 4.28Å; Y1266-I1277 WeakPolarHBondContact CA-O 3.47Å; Y1266-G1279 VanDerWaalsContact CE1-CA 3.42Å |
| 1267 | L | 88.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 115.3 | 179.8 | -173.1 | 61.6 | 0 | 0 | 0 | 110.1 | L1251 W1256 F1265 I1276 I1277 I1296 F1298 I1308 | L1251-L1267 HydrophobicContact CD2-CD1 3.86Å; W1256-L1267 HydrophobicContact CE3-CD1 3.93Å; W1256-L1267 HydrophobicContact CE3-CD2 4.15Å; W1256-L1267 HydrophobicContact CE3-CG 3.93Å; W1256-L1267 HydrophobicContact CZ3-CD1 4.41Å; W1256-L1267 HydrophobicContact CZ3-CD2 3.82Å; W1256-L1267 HydrophobicContact CZ3-CG 3.93Å; F1265-L1267 HydrophobicContact CE1-CB 3.8Å; F1265-L1267 HydrophobicContact CE1-CD2 4.25Å; F1265-L1267 HydrophobicContact CE1-CG 4.46Å; F1265-L1267 HydrophobicContact CZ-CB 3.95Å; F1265-L1267 HydrophobicContact CZ-CD1 4.14Å; F1265-L1267 HydrophobicContact CZ-CD2 4.41Å; F1265-L1267 HydrophobicContact CZ-CG 4.39Å; L1267-I1276 PolarHBondContact O-N 3.08Å; L1267-I1277 HydrophobicContact CB-CB 4.08Å; L1267-I1277 HydrophobicContact CB-CD1 4.45Å; L1267-I1277 HydrophobicContact CB-CG1 4.44Å; L1267-I1277 HydrophobicContact CD2-CD1 4.35Å; L1267-I1277 PolarHBondContact N-O 3.44Å; L1267-I1277 PolarHBondContact O-N 3.39Å; L1267-I1296 HydrophobicContact CD1-CD1 4.46Å; L1267-F1298 HydrophobicContact CD2-CE1 3.91Å; L1267-F1298 HydrophobicContact CD2-CZ 4.45Å; L1267-I1308 HydrophobicContact CD2-CD1 3.74Å |
| 1268 | G | 84.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1257 | I1257-G1268 PolarHBondContact N-O 3.2Å; I1257-G1268 PolarHBondContact O-N 2.93Å |
| 1269 | Y | 85.5 | Confident | 79.7 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 103.4 | 168.4 | -175.2 | -112.4 | 0 | 0 | 0 | 109.4 | Q1255 W1256 P1271 K1272 K1273 Q1274 H1313 | Q1255-Y1269 HydrophobicContact CB-CD2 4.39Å; Q1255-Y1269 HydrophobicContact CB-CE2 3.82Å; Q1255-Y1269 CarbonylContact O-C 3.44Å; Q1255-Y1269 WeakPolarHBondContact O-CD2 3.37Å; Q1255-Y1269 PolarHBondContact OE1-OH 2.86Å; W1256-Y1269 AromaticContact CD2-CD2 3.81Å; W1256-Y1269 HydrophobicContact CD2-CD2 3.81Å; W1256-Y1269 AromaticContact CE2-CD2 3.5Å; W1256-Y1269 VanDerWaalsContact CE2-CD2 3.5Å; W1256-Y1269 AromaticContact CE2-CE2 3.92Å; W1256-Y1269 HydrophobicContact CE3-CD2 4.32Å; W1256-Y1269 HydrophobicContact CG-CD2 4.25Å; W1256-Y1269 HydrophobicContact CH2-CD2 4.36Å; W1256-Y1269 AromaticContact CZ2-CD2 3.81Å; W1256-Y1269 HydrophobicContact CZ2-CD2 3.81Å; W1256-Y1269 HydrophobicContact CZ2-CE2 4.25Å; W1256-Y1269 AromaticContact NE1-CD2 3.68Å; W1256-Y1269 AromaticContact NE1-CE2 3.69Å; Y1269-P1271 HydrophobicContact CD1-CB 4.4Å; Y1269-P1271 HydrophobicContact CD1-CG 4.48Å; Y1269-P1271 HydrophobicContact CE1-CB 3.73Å; Y1269-P1271 HydrophobicContact CE1-CG 3.88Å; Y1269-P1271 HydrophobicContact CE2-CG 4.03Å; Y1269-K1272 HydrophobicContact CD1-CB 3.94Å; Y1269-K1272 HydrophobicContact CD1-CD 4.04Å; Y1269-K1272 HydrophobicContact CD1-CG 3.85Å; Y1269-K1272 HydrophobicContact CE1-CB 4.44Å; Y1269-K1272 HydrophobicContact CE1-CD 4.18Å; Y1269-K1272 HydrophobicContact CE1-CG 3.91Å; Y1269-K1272 PolarHBondContact O-N 3.46Å; Y1269-K1273 PolarHBondContact O-N 3.21Å; Y1269-Q1274 PolarHBondContact N-O 3.29Å; Y1269-Q1274 PolarHBondContact O-N 2.88Å; Y1269-H1313 AromaticContact CE2-CE1 3.47Å; Y1269-H1313 VanDerWaalsContact CE2-CE1 3.47Å; Y1269-H1313 WeakPolarHBondContact CE2-CE1 3.48Å; Y1269-H1313 AromaticContact CE2-NE2 3.82Å; Y1269-H1313 AromaticContact CZ-CE1 3.47Å; Y1269-H1313 VanDerWaalsContact CZ-CE1 3.47Å; Y1269-H1313 AromaticContact CZ-NE2 3.6Å; Y1269-H1313 PolarHBondContact OH-CE1 3.01Å; Y1269-H1313 PolarHBondContact OH-NE2 2.93Å; Y1269-H1313 VanDerWaalsContact OH-NE2 3.11Å |
| 1270 | L | 78.9 | Confident | 79.5 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 9% | 0.094 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -58.7 | -41.6 | -172.2 | -73 | 168 | 0 | 0 | 0 | 114.1 | V1220 L1236 W1240 Q1255 I1257 K1272 K1273 | V1220-L1270 HydrophobicContact CG2-CD1 4.39Å; L1236-L1270 HydrophobicContact CD2-CD2 3.87Å; W1240-L1270 HydrophobicContact CE3-CD2 4.26Å; W1240-L1270 HydrophobicContact CZ3-CD2 3.82Å; Q1255-L1270 PolarHBondContact O-N 3.29Å; I1257-L1270 HydrophobicContact CB-CD1 4.12Å; I1257-L1270 HydrophobicContact CB-CG 4.22Å; I1257-L1270 HydrophobicContact CG2-CD1 4.36Å; I1257-L1270 HydrophobicContact CG2-CD2 3.93Å; I1257-L1270 HydrophobicContact CG2-CG 3.92Å; L1270-K1272 VanDerWaalsContact C-N 3.28Å; L1270-K1272 PolarHBondContact O-N 3.04Å; L1270-K1273 WeakPolarHBondContact O-CG 3.34Å; L1270-K1273 PolarHBondContact O-N 3.05Å |
| 1271 | P | 77.1 | Confident | 79.5 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 51% | 0.506 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -63.1 | -28.6 | -177.8 | -26.2 | 35.8 | 0 | 0 | 0 | 114.6 | Q1255 Y1269 | Q1255-P1271 HydrophobicContact CB-CG 3.9Å; Q1255-P1271 HydrophobicContact CG-CG 3.91Å; Q1255-P1271 WeakPolarHBondContact O-CD 3.49Å; Y1269-P1271 HydrophobicContact CD1-CB 4.4Å; Y1269-P1271 HydrophobicContact CD1-CG 4.48Å; Y1269-P1271 HydrophobicContact CE1-CB 3.73Å; Y1269-P1271 HydrophobicContact CE1-CG 3.88Å; Y1269-P1271 HydrophobicContact CE2-CG 4.03Å |
| 1272 | K | 73.8 | Confident | 79.4 | Confident | 127 Ų | 127 | 47.4 Ų | 47.4 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -98 | -5.5 | 171.5 | -65.7 | 177.5 | -178 | 176.3 | 0 | 113.3 | Y1269 L1270 Q1274 | Y1269-K1272 HydrophobicContact CD1-CB 3.94Å; Y1269-K1272 HydrophobicContact CD1-CD 4.04Å; Y1269-K1272 HydrophobicContact CD1-CG 3.85Å; Y1269-K1272 HydrophobicContact CE1-CB 4.44Å; Y1269-K1272 HydrophobicContact CE1-CD 4.18Å; Y1269-K1272 HydrophobicContact CE1-CG 3.91Å; Y1269-K1272 PolarHBondContact O-N 3.46Å; L1270-K1272 VanDerWaalsContact C-N 3.28Å; L1270-K1272 PolarHBondContact O-N 3.04Å; K1272-Q1274 HydrophobicContact CB-CB 3.87Å; K1272-Q1274 PolarHBondContact O-N 2.95Å |
| 1273 | K | 73.6 | Confident | 79 | Confident | 142 Ų | 142 | 41.8 Ų | 41.8 | 62% | 0.617 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 40.5 | -165.5 | -60.9 | -168.5 | 177.6 | -167.8 | 0 | 112.6 | W1240 Y1269 L1270 | W1240-K1273 WeakPolarHBondContact CZ2-O 3.11Å; Y1269-K1273 PolarHBondContact O-N 3.21Å; L1270-K1273 WeakPolarHBondContact O-CG 3.34Å; L1270-K1273 PolarHBondContact O-N 3.05Å |
| 1274 | Q | 78.1 | Confident | 78.4 | Confident | 53 Ų | 53 | 41 Ų | 41 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.5 | -173.2 | -176.2 | 179.4 | -7 | 0 | 0 | 109.7 | Y1269 K1272 I1276 N1378 | Y1269-Q1274 PolarHBondContact N-O 3.29Å; Y1269-Q1274 PolarHBondContact O-N 2.88Å; K1272-Q1274 HydrophobicContact CB-CB 3.87Å; K1272-Q1274 PolarHBondContact O-N 2.95Å; Q1274-I1276 HydrophobicContact CG-CD1 4.26Å; Q1274-I1276 PolarHBondContact O-N 3.15Å; Q1274-N1378 PolarHBondContact NE2-ND2 3.47Å; Q1274-N1378 VanDerWaalsContact NE2-ND2 3.17Å |
| 1275 | M | 80.5 | Confident | 77.5 | Confident | 33 Ų | 33 | 43 Ų | 43 | 16% | 0.163 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 120.6 | 166 | -65 | -55.6 | -62.1 | 0 | 0 | 108.7 | W1240 F1244 Y1266 I1277 N1278 | W1240-M1275 HydrophobicContact CD2-SD 4.5Å; W1240-M1275 HydrophobicContact CH2-SD 3.97Å; W1240-M1275 HydrophobicContact CZ2-CG 4.12Å; W1240-M1275 HydrophobicContact CZ2-SD 3.64Å; F1244-M1275 HydrophobicContact CE2-CE 4.28Å; F1244-M1275 HydrophobicContact CE2-SD 3.95Å; F1244-M1275 HydrophobicContact CZ-CE 3.84Å; F1244-M1275 HydrophobicContact CZ-SD 3.96Å; Y1266-M1275 HydrophobicContact CD1-CE 4.28Å; M1275-I1277 VanDerWaalsContact CE-O 3.27Å; M1275-I1277 WeakPolarHBondContact CE-O 3.33Å; M1275-N1278 HydrophobicContact CB-CB 4.18Å |
| 1276 | I | 80.9 | Confident | 76.5 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -35.8 | 175.9 | -56 | -56.8 | 0 | 0 | 0 | 109.8 | W1256 L1267 Q1274 N1378 F1379 F1382 | W1256-I1276 HydrophobicContact CH2-CG1 4.26Å; W1256-I1276 HydrophobicContact CZ3-CB 4.38Å; W1256-I1276 HydrophobicContact CZ3-CG1 3.85Å; W1256-I1276 HydrophobicContact CZ3-CG2 4.49Å; L1267-I1276 PolarHBondContact O-N 3.08Å; Q1274-I1276 HydrophobicContact CG-CD1 4.26Å; Q1274-I1276 PolarHBondContact O-N 3.15Å; I1276-N1378 PolarHBondContact O-N 2.92Å; I1276-F1379 HydrophobicContact CG2-CD1 3.86Å; I1276-F1379 HydrophobicContact CG2-CE1 3.87Å; I1276-F1382 HydrophobicContact CD1-CE2 4.36Å |
| 1277 | I | 82 | Confident | 75.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 122.4 | 171.1 | -62.4 | 172.2 | 0 | 0 | 0 | 107.4 | F1265 Y1266 L1267 M1275 Y1280 F1298 L1300 | F1265-I1277 HydrophobicContact CD1-CD1 4.15Å; F1265-I1277 HydrophobicContact CD1-CG2 4.23Å; F1265-I1277 HydrophobicContact CE1-CD1 4.03Å; Y1266-I1277 WeakPolarHBondContact CA-O 3.47Å; L1267-I1277 HydrophobicContact CB-CB 4.08Å; L1267-I1277 HydrophobicContact CB-CD1 4.45Å; L1267-I1277 HydrophobicContact CB-CG1 4.44Å; L1267-I1277 HydrophobicContact CD2-CD1 4.35Å; L1267-I1277 PolarHBondContact N-O 3.44Å; L1267-I1277 PolarHBondContact O-N 3.39Å; M1275-I1277 VanDerWaalsContact CE-O 3.27Å; M1275-I1277 WeakPolarHBondContact CE-O 3.33Å; I1277-Y1280 HydrophobicContact CG2-CD2 3.76Å; I1277-Y1280 HydrophobicContact CG2-CG 4.2Å; I1277-F1298 HydrophobicContact CD1-CD2 4.03Å; I1277-F1298 HydrophobicContact CD1-CE1 4.07Å; I1277-F1298 HydrophobicContact CD1-CE2 3.26Å; I1277-F1298 HydrophobicContact CD1-CZ 3.31Å; I1277-L1300 HydrophobicContact CD1-CD1 4.32Å |
| 1278 | N | 80.1 | Confident | 75.1 | Confident | 90 Ų | 90 | 43 Ų | 43 | 48% | 0.481 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 70.7 | -174.4 | -169.8 | 61.1 | 0 | 0 | 0 | 112 | M1275 G1376 | M1275-N1278 HydrophobicContact CB-CB 4.18Å; N1278-G1376 PolarHBondContact N-O 3.35Å; N1278-G1376 VanDerWaalsContact N-O 3.13Å |
| 1279 | G | 77.3 | Confident | 74.3 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.5 | 64.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1265 Y1266 | F1265-G1279 WeakPolarHBondContact O-CA 3.39Å; F1265-G1279 PolarHBondContact O-N 3.14Å; F1265-G1279 VanDerWaalsContact O-N 3.11Å; Y1266-G1279 VanDerWaalsContact CE1-CA 3.42Å |
| 1280 | Y | 77.9 | Confident | 73.5 | Confident | 38 Ų | 38 | 45 Ų | 45 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146 | 173.8 | -82 | -101.4 | 0 | 0 | 0 | 112 | T1264 F1265 I1277 I1282 Y1303 I1374 N1375 G1376 I1377 | T1264-Y1280 WeakPolarHBondContact CA-O 3.26Å; F1265-Y1280 PolarHBondContact N-O 3.17Å; F1265-Y1280 PolarHBondContact O-N 3.45Å; I1277-Y1280 HydrophobicContact CG2-CD2 3.76Å; I1277-Y1280 HydrophobicContact CG2-CG 4.2Å; Y1280-I1282 PolarHBondContact O-N 3.31Å; Y1280-I1282 VanDerWaalsContact O-N 3.17Å; Y1280-Y1303 HydrophobicContact CE1-CE2 4.15Å; Y1280-I1374 HydrophobicContact CE1-CG2 3.75Å; Y1280-I1374 WeakPolarHBondContact OH-CG2 3.3Å; Y1280-N1375 PolarHBondContact OH-O 3.1Å; Y1280-N1375 VanDerWaalsContact OH-O 3.1Å; Y1280-G1376 VanDerWaalsContact CE2-C 3.49Å; Y1280-G1376 PolarHBondContact OH-N 3.43Å; Y1280-I1377 HydrophobicContact CD1-CD1 4.25Å; Y1280-I1377 HydrophobicContact CD1-CG1 4.37Å; Y1280-I1377 HydrophobicContact CD2-CG1 4.03Å; Y1280-I1377 HydrophobicContact CE1-CD1 4.08Å; Y1280-I1377 HydrophobicContact CE1-CG1 4.05Å; Y1280-I1377 HydrophobicContact CE2-CG1 3.7Å; Y1280-I1377 HydrophobicContact CG-CG1 4.37Å |
| 1281 | T | 77.3 | Confident | 72.6 | Confident | 65 Ų | 65 | 47.6 Ų | 47.6 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 104.2 | 171.8 | 32.8 | 0 | 0 | 0 | 0 | 110.7 | T1263 E1283 T1301 | T1263-T1281 WeakPolarHBondContact O-CA 2.94Å; T1281-E1283 PolarHBondContact O-N 2.88Å; T1281-T1301 WeakPolarHBondContact CB-OG1 3.14Å; T1281-T1301 PolarHBondContact O-N 3.04Å; T1281-T1301 PolarHBondContact O-OG1 2.88Å; T1281-T1301 PolarHBondContact OG1-OG1 3.31Å |
| 1282 | I | 72.2 | Confident | 71.9 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.3 | 166.6 | -85.6 | -178.3 | 0 | 0 | 0 | 108 | T1263 F1265 Y1280 N1284 H1285 S1286 F1287 F1298 T1299 L1300 | T1263-I1282 PolarHBondContact O-N 3.35Å; T1263-I1282 VanDerWaalsContact O-N 3.14Å; F1265-I1282 HydrophobicContact CB-CB 4.46Å; F1265-I1282 HydrophobicContact CB-CD1 3.56Å; F1265-I1282 HydrophobicContact CB-CG1 3.63Å; F1265-I1282 HydrophobicContact CD1-CD1 3.61Å; F1265-I1282 HydrophobicContact CD1-CG1 4.09Å; F1265-I1282 HydrophobicContact CD2-CD1 3.68Å; F1265-I1282 HydrophobicContact CE1-CD1 4.16Å; F1265-I1282 HydrophobicContact CE2-CD1 4.25Å; F1265-I1282 HydrophobicContact CG-CD1 3.33Å; F1265-I1282 HydrophobicContact CG-CG1 3.92Å; F1265-I1282 HydrophobicContact CZ-CD1 4.46Å; Y1280-I1282 PolarHBondContact O-N 3.31Å; Y1280-I1282 VanDerWaalsContact O-N 3.17Å; I1282-N1284 PolarHBondContact O-N 2.97Å; I1282-H1285 VanDerWaalsContact CG2-C 3.49Å; I1282-S1286 WeakPolarHBondContact CG2-O 3.43Å; I1282-F1287 HydrophobicContact CD1-CB 4.36Å; I1282-F1287 HydrophobicContact CD1-CD2 4.46Å; I1282-F1298 HydrophobicContact CD1-CB 3.78Å; I1282-F1298 HydrophobicContact CG1-CB 4.32Å; I1282-T1299 WeakPolarHBondContact CA-O 3.41Å; I1282-L1300 HydrophobicContact CG1-CD2 3.92Å |
| 1283 | E | 64.2 | Low | 71.5 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 124.9 | 175.6 | -166 | 175.8 | 161.4 | 0 | 0 | 109.2 | T1281 H1285 S1286 T1299 T1301 M1320 T1325 | T1281-E1283 PolarHBondContact O-N 2.88Å; E1283-H1285 PolarHBondContact O-N 2.93Å; E1283-S1286 VanDerWaalsContact O-CB 3.27Å; E1283-S1286 WeakPolarHBondContact O-CB 3.28Å; E1283-S1286 PolarHBondContact O-N 3.18Å; E1283-S1286 PolarHBondContact O-OG 2.91Å; E1283-T1299 HydrophobicContact CB-CG2 4.28Å; E1283-T1299 PolarHBondContact N-O 3.41Å; E1283-T1301 HydrophobicContact CB-CG2 3.82Å; E1283-T1301 HydrophobicContact CG-CG2 3.98Å; E1283-M1320 WeakPolarHBondContact OE2-CE 3.35Å; E1283-T1325 WeakPolarHBondContact OE1-CB 3.45Å; E1283-T1325 WeakPolarHBondContact OE1-CG2 3.33Å |
| 1284 | N | 61.1 | Low | 71.4 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54 | 31.3 | 171.3 | -68 | -24.4 | 0 | 0 | 0 | 115.6 | I1282 S1286 H1327 L1404 | I1282-N1284 PolarHBondContact O-N 2.97Å; N1284-S1286 PolarHBondContact O-N 3.45Å; N1284-S1286 VanDerWaalsContact O-N 3.11Å; N1284-H1327 PolarHBondContact ND2-CE1 2.87Å; N1284-H1327 PolarHBondContact ND2-NE2 3.26Å; N1284-L1404 WeakPolarHBondContact CB-O 3.48Å |
| 1285 | H | 61.9 | Low | 71.3 | Confident | 85 Ų | 85 | 35.2 Ų | 35.2 | 39% | 0.394 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 23.5 | -173.9 | -55.9 | -84.1 | 0 | 0 | 0 | 114.7 | D1262 I1282 E1283 F1287 N1405 | D1262-H1285 PolarHBondContact O-CE1 3.12Å; D1262-H1285 VanDerWaalsContact O-CE1 3.23Å; D1262-H1285 PolarHBondContact O-ND1 3.3Å; I1282-H1285 VanDerWaalsContact CG2-C 3.49Å; E1283-H1285 PolarHBondContact O-N 2.93Å; H1285-F1287 PolarHBondContact O-N 3.2Å; H1285-N1405 PolarHBondContact CD2-OD1 3.48Å |
| 1286 | S | 66 | Low | 71.3 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 96.8 | -179.5 | 59 | 0 | 0 | 0 | 0 | 112.8 | I1282 E1283 N1284 F1298 T1299 H1327 | I1282-S1286 WeakPolarHBondContact CG2-O 3.43Å; E1283-S1286 VanDerWaalsContact O-CB 3.27Å; E1283-S1286 WeakPolarHBondContact O-CB 3.28Å; E1283-S1286 PolarHBondContact O-N 3.18Å; E1283-S1286 PolarHBondContact O-OG 2.91Å; N1284-S1286 PolarHBondContact O-N 3.45Å; N1284-S1286 VanDerWaalsContact O-N 3.11Å; S1286-F1298 VanDerWaalsContact O-CA 3.29Å; S1286-F1298 WeakPolarHBondContact O-CA 3.28Å; S1286-T1299 PolarHBondContact O-N 3.43Å; S1286-T1299 WeakPolarHBondContact OG-CB 3.23Å; S1286-T1299 PolarHBondContact OG-N 3.31Å; S1286-T1299 PolarHBondContact OG-OG1 3.44Å; S1286-H1327 WeakPolarHBondContact CB-O 2.99Å |
| 1287 | F | 72.2 | Confident | 71.3 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.6 | 173.6 | 179.5 | -88.9 | 0 | 0 | 0 | 110.9 | I1250 L1251 F1265 I1282 H1285 I1296 S1297 F1298 | I1250-F1287 HydrophobicContact CG2-CD1 3.47Å; I1250-F1287 VanDerWaalsContact CG2-CD1 3.47Å; I1250-F1287 HydrophobicContact CG2-CE1 3.54Å; I1250-F1287 HydrophobicContact CG2-CG 4.31Å; I1250-F1287 HydrophobicContact CG2-CZ 4.43Å; L1251-F1287 HydrophobicContact CB-CZ 4.01Å; L1251-F1287 HydrophobicContact CD2-CZ 4.33Å; F1265-F1287 AromaticContact CE2-CD2 3.81Å; F1265-F1287 HydrophobicContact CE2-CD2 3.81Å; F1265-F1287 AromaticContact CE2-CE2 3.86Å; F1265-F1287 HydrophobicContact CE2-CE2 3.86Å; F1265-F1287 AromaticContact CZ-CD2 3.75Å; F1265-F1287 HydrophobicContact CZ-CD2 3.75Å; F1265-F1287 AromaticContact CZ-CE2 3.57Å; F1265-F1287 HydrophobicContact CZ-CE2 3.57Å; I1282-F1287 HydrophobicContact CD1-CB 4.36Å; I1282-F1287 HydrophobicContact CD1-CD2 4.46Å; H1285-F1287 PolarHBondContact O-N 3.2Å; F1287-I1296 HydrophobicContact CE2-CG2 3.58Å; F1287-I1296 HydrophobicContact CZ-CG2 3.85Å; F1287-S1297 WeakPolarHBondContact CA-O 3.37Å; F1287-F1298 HydrophobicContact CD2-CB 4.24Å |
| 1288 | Y | 71.9 | Confident | 71.4 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.6 | 176.6 | 171.7 | -102.7 | 0 | 0 | 0 | 111.2 | S1290 S1297 T1329 I1330 T1408 | Y1288-S1290 WeakPolarHBondContact OH-CB 3.49Å; Y1288-S1297 PolarHBondContact N-O 2.88Å; Y1288-S1297 PolarHBondContact O-N 3.18Å; Y1288-T1329 WeakPolarHBondContact CD1-O 3.43Å; Y1288-I1330 HydrophobicContact CE1-CB 4.27Å; Y1288-I1330 HydrophobicContact CE1-CD1 4.33Å; Y1288-I1330 HydrophobicContact CE1-CG1 3.85Å; Y1288-I1330 HydrophobicContact CE2-CD1 3.93Å; Y1288-I1330 HydrophobicContact CE2-CG1 4.29Å; Y1288-I1330 VanDerWaalsContact OH-CD1 3.26Å; Y1288-I1330 WeakPolarHBondContact OH-CD1 3.17Å; Y1288-I1330 WeakPolarHBondContact OH-CG1 3.42Å; Y1288-T1408 WeakPolarHBondContact CD2-O 3.44Å; Y1288-T1408 WeakPolarHBondContact CD2-OG1 3.44Å |
| 1289 | Y | 68.8 | Low | 71.4 | Confident | 57 Ų | 57 | 29.3 Ų | 29.3 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 130.8 | 173.2 | 170.7 | -121.3 | 0 | 0 | 0 | 111.7 | L1251 T1253 N1291 I1295 I1296 I1310 | L1251-Y1289 HydrophobicContact CD1-CD1 3.49Å; L1251-Y1289 VanDerWaalsContact CD1-CD1 3.49Å; L1251-Y1289 HydrophobicContact CD1-CD2 3.5Å; L1251-Y1289 VanDerWaalsContact CD1-CD2 3.5Å; L1251-Y1289 HydrophobicContact CD1-CE1 3.69Å; L1251-Y1289 HydrophobicContact CD1-CE2 3.75Å; L1251-Y1289 HydrophobicContact CD1-CG 3.39Å; T1253-Y1289 HydrophobicContact CG2-CE1 4.32Å; T1253-Y1289 HydrophobicContact CG2-CE2 4.11Å; T1253-Y1289 VanDerWaalsContact CG2-OH 3.26Å; T1253-Y1289 WeakPolarHBondContact CG2-OH 3.5Å; Y1289-N1291 HydrophobicContact CE1-CB 3.96Å; Y1289-N1291 WeakPolarHBondContact OH-CB 3.33Å; Y1289-N1291 PolarHBondContact OH-OD1 2.93Å; Y1289-I1295 WeakPolarHBondContact CA-O 3.38Å; Y1289-I1295 VanDerWaalsContact CD2-O 3.31Å; Y1289-I1295 WeakPolarHBondContact CD2-O 3.4Å; Y1289-I1296 HydrophobicContact CD2-CG1 4.12Å; Y1289-I1310 HydrophobicContact CE2-CD1 3.85Å |
| 1290 | S | 68.6 | Low | 71.6 | Confident | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.1 | 171.9 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | Y1288 L1292 L1293 N1294 I1295 | Y1288-S1290 WeakPolarHBondContact OH-CB 3.49Å; S1290-L1292 VanDerWaalsContact C-N 3.31Å; S1290-L1292 PolarHBondContact OG-N 3.25Å; S1290-L1293 PolarHBondContact OG-N 2.87Å; S1290-L1293 VanDerWaalsContact OG-N 3.12Å; S1290-N1294 CarbonylContact O-C 3.48Å; S1290-N1294 WeakPolarHBondContact O-CA 3.49Å; S1290-N1294 PolarHBondContact O-N 3.41Å; S1290-I1295 PolarHBondContact N-O 3.18Å; S1290-I1295 PolarHBondContact O-N 3.19Å |
| 1291 | N | 60.3 | Low | 71.3 | Confident | 72 Ų | 72 | 28.2 Ų | 28.2 | 39% | 0.385 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.7 | 166.2 | -161.7 | 47.6 | 0 | 0 | 0 | 112.9 | F1174 Y1289 N1294 | F1174-N1291 HydrophobicContact CE2-CB 4.22Å; F1174-N1291 WeakPolarHBondContact CE2-ND2 3.21Å; F1174-N1291 VanDerWaalsContact CZ-ND2 3.29Å; F1174-N1291 WeakPolarHBondContact CZ-ND2 3.24Å; Y1289-N1291 HydrophobicContact CE1-CB 3.96Å; Y1289-N1291 WeakPolarHBondContact OH-CB 3.33Å; Y1289-N1291 PolarHBondContact OH-OD1 2.93Å; N1291-N1294 PolarHBondContact O-OD1 2.69Å |
| 1292 | L | 61 | Low | 70.9 | Confident | 74 Ų | 74 | 32.6 Ų | 32.6 | 39% | 0.387 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -31.2 | 175 | -165.7 | 149.7 | 0 | 0 | 0 | 110.7 | S1290 | S1290-L1292 VanDerWaalsContact C-N 3.31Å; S1290-L1292 PolarHBondContact OG-N 3.25Å |
| 1293 | L | 65.9 | Low | 71 | Confident | 23 Ų | 23 | 36 Ų | 36 | 12% | 0.12 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -0 | 178.6 | -50.3 | 176.4 | 0 | 0 | 0 | 113.1 | S1290 I1295 K1331 Q1333 L1410 | S1290-L1293 PolarHBondContact OG-N 2.87Å; S1290-L1293 VanDerWaalsContact OG-N 3.12Å; L1293-I1295 HydrophobicContact CB-CD1 3.72Å; L1293-I1295 WeakPolarHBondContact O-CD1 3.31Å; L1293-I1295 WeakPolarHBondContact O-CG1 3.32Å; L1293-I1295 PolarHBondContact O-N 2.83Å; L1293-K1331 WeakPolarHBondContact CD1-O 3.41Å; L1293-Q1333 HydrophobicContact CD2-CG 3.4Å; L1293-Q1333 VanDerWaalsContact CD2-CG 3.4Å; L1293-L1410 HydrophobicContact CD1-CD2 4.24Å |
| 1294 | N | 70.9 | Confident | 71.6 | Confident | 43 Ų | 43 | 35 Ų | 35 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 49.7 | -178.3 | -73.1 | -3.9 | 0 | 0 | 0 | 114 | S1290 N1291 I1310 N1311 | S1290-N1294 CarbonylContact O-C 3.48Å; S1290-N1294 WeakPolarHBondContact O-CA 3.49Å; S1290-N1294 PolarHBondContact O-N 3.41Å; N1291-N1294 PolarHBondContact O-OD1 2.69Å; N1294-I1310 HydrophobicContact CB-CB 4.21Å; N1294-I1310 WeakPolarHBondContact O-CB 3.46Å; N1294-I1310 WeakPolarHBondContact O-CG1 3.29Å; N1294-I1310 PolarHBondContact O-N 2.96Å; N1294-N1311 WeakPolarHBondContact CB-ND2 3.28Å; N1294-N1311 PolarHBondContact ND2-ND2 3.49Å; N1294-N1311 PolarHBondContact ND2-OD1 3.4Å |
| 1295 | I | 76.2 | Confident | 72.5 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.6 | -176.8 | -71.2 | 144.7 | 0 | 0 | 0 | 111.3 | Y1289 S1290 L1293 L1307 I1308 D1309 K1331 | Y1289-I1295 WeakPolarHBondContact CA-O 3.38Å; Y1289-I1295 VanDerWaalsContact CD2-O 3.31Å; Y1289-I1295 WeakPolarHBondContact CD2-O 3.4Å; S1290-I1295 PolarHBondContact N-O 3.18Å; S1290-I1295 PolarHBondContact O-N 3.19Å; L1293-I1295 HydrophobicContact CB-CD1 3.72Å; L1293-I1295 WeakPolarHBondContact O-CD1 3.31Å; L1293-I1295 WeakPolarHBondContact O-CG1 3.32Å; L1293-I1295 PolarHBondContact O-N 2.83Å; I1295-L1307 HydrophobicContact CG2-CB 4.38Å; I1295-L1307 HydrophobicContact CG2-CD2 4.33Å; I1295-I1308 WeakPolarHBondContact CA-O 3.48Å; I1295-D1309 HydrophobicContact CG1-CB 4.28Å; I1295-K1331 HydrophobicContact CD1-CB 3.93Å; I1295-K1331 HydrophobicContact CD1-CD 3.43Å; I1295-K1331 VanDerWaalsContact CD1-CD 3.43Å; I1295-K1331 HydrophobicContact CD1-CG 3.78Å; I1295-K1331 HydrophobicContact CG1-CD 4.46Å |
| 1296 | I | 81.1 | Confident | 73.6 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.1 | 171.7 | -51.3 | 163.1 | 0 | 0 | 0 | 106.8 | L1251 W1256 L1267 F1287 Y1289 F1298 L1307 I1308 I1310 | L1251-I1296 HydrophobicContact CD2-CD1 3.58Å; L1251-I1296 HydrophobicContact CD2-CG1 3.85Å; L1251-I1296 HydrophobicContact CD2-CG2 4.19Å; W1256-I1296 HydrophobicContact CB-CD1 4.03Å; W1256-I1296 HydrophobicContact CD2-CD1 3.59Å; W1256-I1296 HydrophobicContact CE3-CD1 3.72Å; W1256-I1296 HydrophobicContact CG-CD1 3.76Å; W1256-I1296 HydrophobicContact CZ3-CD1 4.32Å; L1267-I1296 HydrophobicContact CD1-CD1 4.46Å; F1287-I1296 HydrophobicContact CE2-CG2 3.58Å; F1287-I1296 HydrophobicContact CZ-CG2 3.85Å; Y1289-I1296 HydrophobicContact CD2-CG1 4.12Å; I1296-F1298 HydrophobicContact CG2-CD1 4.15Å; I1296-F1298 HydrophobicContact CG2-CE1 4.31Å; I1296-L1307 WeakPolarHBondContact O-CA 3.48Å; I1296-I1308 HydrophobicContact CB-CB 4.45Å; I1296-I1308 PolarHBondContact N-O 2.84Å; I1296-I1308 PolarHBondContact O-N 3.19Å; I1296-I1310 HydrophobicContact CD1-CD1 3.96Å; I1296-I1310 HydrophobicContact CD1-CG1 3.88Å; I1296-I1310 HydrophobicContact CG1-CD1 3.83Å; I1296-I1310 HydrophobicContact CG1-CG1 3.99Å |
| 1297 | S | 80.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.5 | 173.9 | -162.2 | 0 | 0 | 0 | 0 | 112.7 | F1287 Y1288 F1306 L1307 T1329 | F1287-S1297 WeakPolarHBondContact CA-O 3.37Å; Y1288-S1297 PolarHBondContact N-O 2.88Å; Y1288-S1297 PolarHBondContact O-N 3.18Å; S1297-F1306 WeakPolarHBondContact CA-O 3.4Å; S1297-F1306 PolarHBondContact OG-O 2.75Å; S1297-L1307 WeakPolarHBondContact OG-CD1 3.18Å; S1297-L1307 WeakPolarHBondContact OG-CG 3.33Å; S1297-T1329 WeakPolarHBondContact CB-OG1 3.5Å; S1297-T1329 PolarHBondContact OG-OG1 3.42Å |
| 1298 | F | 83.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 152 | 178.4 | 47.9 | -90.1 | 0 | 0 | 0 | 111 | F1265 L1267 I1277 I1282 S1286 F1287 I1296 L1300 A1305 F1306 I1308 F1379 | F1265-F1298 AromaticContact CE1-CD1 3.93Å; F1265-F1298 HydrophobicContact CE1-CD1 3.93Å; F1265-F1298 HydrophobicContact CE1-CE1 4.37Å; F1265-F1298 HydrophobicContact CE1-CG 4.05Å; F1265-F1298 HydrophobicContact CZ-CD1 4.43Å; L1267-F1298 HydrophobicContact CD2-CE1 3.91Å; L1267-F1298 HydrophobicContact CD2-CZ 4.45Å; I1277-F1298 HydrophobicContact CD1-CD2 4.03Å; I1277-F1298 HydrophobicContact CD1-CE1 4.07Å; I1277-F1298 HydrophobicContact CD1-CE2 3.26Å; I1277-F1298 HydrophobicContact CD1-CZ 3.31Å; I1282-F1298 HydrophobicContact CD1-CB 3.78Å; I1282-F1298 HydrophobicContact CG1-CB 4.32Å; S1286-F1298 VanDerWaalsContact O-CA 3.29Å; S1286-F1298 WeakPolarHBondContact O-CA 3.28Å; F1287-F1298 HydrophobicContact CD2-CB 4.24Å; I1296-F1298 HydrophobicContact CG2-CD1 4.15Å; I1296-F1298 HydrophobicContact CG2-CE1 4.31Å; F1298-L1300 HydrophobicContact CD2-CD1 4.39Å; F1298-L1300 HydrophobicContact CD2-CD2 3.87Å; F1298-L1300 HydrophobicContact CD2-CG 3.87Å; F1298-L1300 HydrophobicContact CE2-CD1 4.14Å; F1298-L1300 HydrophobicContact CE2-CD2 4.38Å; F1298-L1300 HydrophobicContact CE2-CG 4.11Å; F1298-A1305 WeakPolarHBondContact O-CA 3.5Å; F1298-F1306 HydrophobicContact CD2-CB 4.23Å; F1298-F1306 HydrophobicContact CD2-CD2 4.35Å; F1298-F1306 HydrophobicContact CE2-CB 3.55Å; F1298-F1306 AromaticContact CE2-CD2 3.88Å; F1298-F1306 HydrophobicContact CE2-CD2 3.88Å; F1298-F1306 AromaticContact CE2-CG 3.95Å; F1298-F1306 HydrophobicContact CE2-CG 3.95Å; F1298-F1306 HydrophobicContact CZ-CB 3.72Å; F1298-F1306 HydrophobicContact CZ-CG 4.44Å; F1298-F1306 PolarHBondContact N-O 3.37Å; F1298-F1306 PolarHBondContact O-N 3.25Å; F1298-I1308 HydrophobicContact CE1-CD1 3.84Å; F1298-I1308 HydrophobicContact CE1-CG1 4.04Å; F1298-I1308 HydrophobicContact CZ-CD1 3.99Å; F1298-I1308 HydrophobicContact CZ-CG1 4.23Å; F1298-F1379 HydrophobicContact CZ-CE1 4.49Å; F1298-F1379 HydrophobicContact CZ-CZ 4.25Å |
| 1299 | T | 81.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.2 | 170.3 | -41.1 | 0 | 0 | 0 | 0 | 109.9 | I1282 E1283 S1286 A1305 I1326 | I1282-T1299 WeakPolarHBondContact CA-O 3.41Å; E1283-T1299 HydrophobicContact CB-CG2 4.28Å; E1283-T1299 PolarHBondContact N-O 3.41Å; S1286-T1299 PolarHBondContact O-N 3.43Å; S1286-T1299 WeakPolarHBondContact OG-CB 3.23Å; S1286-T1299 PolarHBondContact OG-N 3.31Å; S1286-T1299 PolarHBondContact OG-OG1 3.44Å; T1299-A1305 HydrophobicContact CG2-CB 4.24Å; T1299-I1326 HydrophobicContact CG2-CB 4.09Å; T1299-I1326 PolarHBondContact OG1-O 3.23Å |
| 1300 | L | 80.2 | Confident | 75.7 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132 | 174.4 | -58 | -177.3 | 0 | 0 | 0 | 110 | I1277 I1282 F1298 Y1303 G1304 F1306 I1377 | I1277-L1300 HydrophobicContact CD1-CD1 4.32Å; I1282-L1300 HydrophobicContact CG1-CD2 3.92Å; F1298-L1300 HydrophobicContact CD2-CD1 4.39Å; F1298-L1300 HydrophobicContact CD2-CD2 3.87Å; F1298-L1300 HydrophobicContact CD2-CG 3.87Å; F1298-L1300 HydrophobicContact CE2-CD1 4.14Å; F1298-L1300 HydrophobicContact CE2-CD2 4.38Å; F1298-L1300 HydrophobicContact CE2-CG 4.11Å; L1300-Y1303 HydrophobicContact CB-CD2 4.47Å; L1300-Y1303 PolarHBondContact O-N 3.15Å; L1300-G1304 PolarHBondContact N-O 2.79Å; L1300-G1304 PolarHBondContact O-N 3.11Å; L1300-F1306 HydrophobicContact CB-CE2 4.27Å; L1300-F1306 HydrophobicContact CD1-CD2 4.24Å; L1300-F1306 HydrophobicContact CD1-CE2 3.99Å; L1300-F1306 HydrophobicContact CG-CD2 4.24Å; L1300-F1306 HydrophobicContact CG-CE2 4.19Å; L1300-I1377 HydrophobicContact CD1-CD1 3.45Å; L1300-I1377 VanDerWaalsContact CD1-CD1 3.45Å; L1300-I1377 HydrophobicContact CD1-CG1 4.36Å |
| 1301 | T | 72.7 | Confident | 76 | Confident | 42 Ų | 42 | 29.7 Ų | 29.7 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 142.5 | 172.5 | 37 | 0 | 0 | 0 | 0 | 111.5 | T1281 E1283 Y1303 | T1281-T1301 WeakPolarHBondContact CB-OG1 3.14Å; T1281-T1301 PolarHBondContact O-N 3.04Å; T1281-T1301 PolarHBondContact O-OG1 2.88Å; T1281-T1301 PolarHBondContact OG1-OG1 3.31Å; E1283-T1301 HydrophobicContact CB-CG2 3.82Å; E1283-T1301 HydrophobicContact CG-CG2 3.98Å; T1301-Y1303 WeakPolarHBondContact O-CD2 3.48Å; T1301-Y1303 PolarHBondContact O-N 3.1Å |
| 1302 | D | 69.1 | Low | 76.7 | Confident | 158 Ų | 158 | 31.2 Ų | 31.2 | 85% | 0.845 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -10.3 | -174.5 | -57.3 | -31.5 | 0 | 0 | 0 | 117.5 | ||
| 1303 | Y | 73.1 | Confident | 77.3 | Confident | 77 Ų | 77 | 30.2 Ų | 30.2 | 30% | 0.302 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -38.4 | -175.7 | -58.7 | -65.6 | 0 | 0 | 0 | 114.3 | Y1280 L1300 T1301 F1317 I1374 | Y1280-Y1303 HydrophobicContact CE1-CE2 4.15Å; L1300-Y1303 HydrophobicContact CB-CD2 4.47Å; L1300-Y1303 PolarHBondContact O-N 3.15Å; T1301-Y1303 WeakPolarHBondContact O-CD2 3.48Å; T1301-Y1303 PolarHBondContact O-N 3.1Å; Y1303-F1317 WeakPolarHBondContact O-CE2 3.35Å; Y1303-F1317 VanDerWaalsContact O-CZ 3.26Å; Y1303-F1317 WeakPolarHBondContact O-CZ 3.39Å; Y1303-I1374 HydrophobicContact CD1-CD1 3.48Å; Y1303-I1374 VanDerWaalsContact CD1-CD1 3.48Å; Y1303-I1374 HydrophobicContact CD1-CG1 4.19Å; Y1303-I1374 HydrophobicContact CD2-CD1 4.5Å; Y1303-I1374 HydrophobicContact CE1-CD1 3.49Å; Y1303-I1374 VanDerWaalsContact CE1-CD1 3.49Å; Y1303-I1374 HydrophobicContact CE1-CG1 3.65Å; Y1303-I1374 HydrophobicContact CE1-CG2 4.24Å; Y1303-I1374 HydrophobicContact CE2-CD1 4.5Å; Y1303-I1374 HydrophobicContact CE2-CG2 3.8Å; Y1303-I1374 HydrophobicContact CG-CD1 4.02Å |
| 1304 | G | 77.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.7 | -160.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1300 F1306 | L1300-G1304 PolarHBondContact N-O 2.79Å; L1300-G1304 PolarHBondContact O-N 3.11Å; G1304-F1306 VanDerWaalsContact O-CD2 3.27Å; G1304-F1306 WeakPolarHBondContact O-CD2 3.44Å; G1304-F1306 VanDerWaalsContact O-CE2 3.3Å; G1304-F1306 WeakPolarHBondContact O-CE2 3.46Å |
| 1305 | A | 81 | Confident | 78.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1298 T1299 I1318 I1326 T1329 | F1298-A1305 WeakPolarHBondContact O-CA 3.5Å; T1299-A1305 HydrophobicContact CG2-CB 4.24Å; A1305-I1318 HydrophobicContact CB-CB 4.24Å; A1305-I1318 PolarHBondContact N-O 2.69Å; A1305-I1318 VanDerWaalsContact N-O 3.15Å; A1305-I1318 PolarHBondContact O-N 3.21Å; A1305-I1326 HydrophobicContact CB-CB 4.49Å; A1305-I1326 HydrophobicContact CB-CD1 3.8Å; A1305-I1326 HydrophobicContact CB-CG2 4.04Å; A1305-T1329 HydrophobicContact CB-CG2 4.1Å |
| 1306 | F | 84.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121 | -178.2 | -61.8 | -95.3 | 0 | 0 | 0 | 109.6 | S1297 F1298 L1300 G1304 V1315 F1317 L1371 F1379 | S1297-F1306 WeakPolarHBondContact CA-O 3.4Å; S1297-F1306 PolarHBondContact OG-O 2.75Å; F1298-F1306 HydrophobicContact CD2-CB 4.23Å; F1298-F1306 HydrophobicContact CD2-CD2 4.35Å; F1298-F1306 HydrophobicContact CE2-CB 3.55Å; F1298-F1306 AromaticContact CE2-CD2 3.88Å; F1298-F1306 HydrophobicContact CE2-CD2 3.88Å; F1298-F1306 AromaticContact CE2-CG 3.95Å; F1298-F1306 HydrophobicContact CE2-CG 3.95Å; F1298-F1306 HydrophobicContact CZ-CB 3.72Å; F1298-F1306 HydrophobicContact CZ-CG 4.44Å; F1298-F1306 PolarHBondContact N-O 3.37Å; F1298-F1306 PolarHBondContact O-N 3.25Å; L1300-F1306 HydrophobicContact CB-CE2 4.27Å; L1300-F1306 HydrophobicContact CD1-CD2 4.24Å; L1300-F1306 HydrophobicContact CD1-CE2 3.99Å; L1300-F1306 HydrophobicContact CG-CD2 4.24Å; L1300-F1306 HydrophobicContact CG-CE2 4.19Å; G1304-F1306 VanDerWaalsContact O-CD2 3.27Å; G1304-F1306 WeakPolarHBondContact O-CD2 3.44Å; G1304-F1306 VanDerWaalsContact O-CE2 3.3Å; G1304-F1306 WeakPolarHBondContact O-CE2 3.46Å; F1306-V1315 HydrophobicContact CD1-CG1 4.11Å; F1306-F1317 AromaticContact CD1-CD2 3.72Å; F1306-F1317 HydrophobicContact CD1-CD2 3.72Å; F1306-F1317 HydrophobicContact CD1-CE2 4.46Å; F1306-F1317 AromaticContact CE1-CD2 3.31Å; F1306-F1317 HydrophobicContact CE1-CD2 3.31Å; F1306-F1317 AromaticContact CE1-CE2 3.74Å; F1306-F1317 HydrophobicContact CE1-CE2 3.74Å; F1306-F1317 HydrophobicContact CE1-CG 4.2Å; F1306-F1317 HydrophobicContact CE2-CD2 4.23Å; F1306-F1317 HydrophobicContact CE2-CE2 4.07Å; F1306-F1317 HydrophobicContact CG-CD2 4.33Å; F1306-F1317 AromaticContact CZ-CD2 3.61Å; F1306-F1317 HydrophobicContact CZ-CD2 3.61Å; F1306-F1317 AromaticContact CZ-CE2 3.51Å; F1306-F1317 HydrophobicContact CZ-CE2 3.51Å; F1306-L1371 HydrophobicContact CE1-CD2 3.95Å; F1306-L1371 HydrophobicContact CZ-CD2 4.24Å; F1306-F1379 HydrophobicContact CB-CZ 4.48Å; F1306-F1379 AromaticContact CD1-CE2 3.53Å; F1306-F1379 HydrophobicContact CD1-CE2 3.53Å; F1306-F1379 AromaticContact CD1-CZ 3.76Å; F1306-F1379 HydrophobicContact CD1-CZ 3.76Å; F1306-F1379 HydrophobicContact CE1-CD2 4.43Å; F1306-F1379 AromaticContact CE1-CE2 3.54Å; F1306-F1379 HydrophobicContact CE1-CE2 3.54Å; F1306-F1379 HydrophobicContact CE1-CZ 4.19Å; F1306-F1379 HydrophobicContact CG-CE2 4.32Å; F1306-F1379 HydrophobicContact CG-CZ 4.16Å; F1306-F1379 HydrophobicContact CZ-CE2 4.33Å |
| 1307 | L | 83.7 | Confident | 78.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118 | 169.5 | -73.3 | 79.5 | 0 | 0 | 0 | 108.8 | I1295 I1296 S1297 V1315 I1316 I1318 K1331 I1337 | I1295-L1307 HydrophobicContact CG2-CB 4.38Å; I1295-L1307 HydrophobicContact CG2-CD2 4.33Å; I1296-L1307 WeakPolarHBondContact O-CA 3.48Å; S1297-L1307 WeakPolarHBondContact OG-CD1 3.18Å; S1297-L1307 WeakPolarHBondContact OG-CG 3.33Å; L1307-V1315 CarbonylContact O-C 3.11Å; L1307-V1315 WeakPolarHBondContact O-CA 3.31Å; L1307-I1316 HydrophobicContact CB-CB 4.31Å; L1307-I1316 HydrophobicContact CB-CD1 4.17Å; L1307-I1316 PolarHBondContact N-O 3.21Å; L1307-I1316 PolarHBondContact O-N 2.96Å; L1307-I1318 HydrophobicContact CD1-CD1 3.86Å; L1307-I1318 HydrophobicContact CD1-CG1 4.36Å; L1307-K1331 HydrophobicContact CD2-CB 3.85Å; L1307-I1337 HydrophobicContact CD1-CD1 4.29Å; L1307-I1337 HydrophobicContact CD1-CG2 4.06Å; L1307-I1337 HydrophobicContact CD2-CB 4.42Å; L1307-I1337 HydrophobicContact CD2-CD1 3.86Å; L1307-I1337 HydrophobicContact CD2-CG1 3.89Å; L1307-I1337 HydrophobicContact CD2-CG2 3.66Å |
| 1308 | I | 82 | Confident | 78.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.7 | 172.3 | -45.6 | -175 | 0 | 0 | 0 | 108.7 | W1256 L1267 I1295 I1296 F1298 S1314 V1315 F1379 F1382 | W1256-I1308 HydrophobicContact CH2-CD1 3.96Å; W1256-I1308 HydrophobicContact CH2-CG2 3.82Å; W1256-I1308 HydrophobicContact CZ2-CG2 3.91Å; W1256-I1308 HydrophobicContact CZ3-CD1 4.07Å; L1267-I1308 HydrophobicContact CD2-CD1 3.74Å; I1295-I1308 WeakPolarHBondContact CA-O 3.48Å; I1296-I1308 HydrophobicContact CB-CB 4.45Å; I1296-I1308 PolarHBondContact N-O 2.84Å; I1296-I1308 PolarHBondContact O-N 3.19Å; F1298-I1308 HydrophobicContact CE1-CD1 3.84Å; F1298-I1308 HydrophobicContact CE1-CG1 4.04Å; F1298-I1308 HydrophobicContact CZ-CD1 3.99Å; F1298-I1308 HydrophobicContact CZ-CG1 4.23Å; I1308-S1314 WeakPolarHBondContact CA-O 3.33Å; I1308-V1315 HydrophobicContact CG1-CG2 4.28Å; I1308-V1315 HydrophobicContact CG2-CG2 4.41Å; I1308-F1379 HydrophobicContact CD1-CE1 4.03Å; I1308-F1382 HydrophobicContact CG2-CD1 4.15Å; I1308-F1382 HydrophobicContact CG2-CE1 3.7Å |
| 1309 | D | 81.5 | Confident | 78 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.8 | 167.6 | -159.5 | -64.7 | 0 | 0 | 0 | 109.2 | I1295 N1311 E1312 H1313 S1314 K1331 | I1295-D1309 HydrophobicContact CG1-CB 4.28Å; D1309-N1311 VanDerWaalsContact C-N 3.27Å; D1309-N1311 PolarHBondContact O-N 3.5Å; D1309-N1311 WeakPolarHBondContact OD1-CB 3.42Å; D1309-N1311 PolarHBondContact OD1-N 2.99Å; D1309-E1312 HydrophobicContact CB-CB 4.21Å; D1309-E1312 PolarHBondContact OD1-N 3.09Å; D1309-E1312 VanDerWaalsContact OD1-N 3.16Å; D1309-H1313 WeakPolarHBondContact O-CA 3.48Å; D1309-H1313 PolarHBondContact O-N 3.08Å; D1309-S1314 VanDerWaalsContact CB-OG 3.29Å; D1309-S1314 WeakPolarHBondContact CB-OG 3.44Å; D1309-S1314 PolarHBondContact N-O 3.32Å; D1309-K1331 IonicContact OD2-NZ 2.91Å; D1309-K1331 PolarHBondContact OD2-NZ 2.99Å |
| 1310 | I | 76.8 | Confident | 77.3 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -30.9 | -178 | -62 | 170.8 | 0 | 0 | 0 | 110.7 | W1256 Y1289 N1294 I1296 | W1256-I1310 HydrophobicContact CG-CG1 4.48Å; Y1289-I1310 HydrophobicContact CE2-CD1 3.85Å; N1294-I1310 HydrophobicContact CB-CB 4.21Å; N1294-I1310 WeakPolarHBondContact O-CB 3.46Å; N1294-I1310 WeakPolarHBondContact O-CG1 3.29Å; N1294-I1310 PolarHBondContact O-N 2.96Å; I1296-I1310 HydrophobicContact CD1-CD1 3.96Å; I1296-I1310 HydrophobicContact CD1-CG1 3.88Å; I1296-I1310 HydrophobicContact CG1-CD1 3.83Å; I1296-I1310 HydrophobicContact CG1-CG1 3.99Å |
| 1311 | N | 74.9 | Confident | 76.7 | Confident | 107 Ų | 107 | 38.3 Ų | 38.3 | 57% | 0.572 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -47.7 | -176.8 | -68.4 | -25.2 | 0 | 0 | 0 | 111.3 | N1294 D1309 | N1294-N1311 WeakPolarHBondContact CB-ND2 3.28Å; N1294-N1311 PolarHBondContact ND2-ND2 3.49Å; N1294-N1311 PolarHBondContact ND2-OD1 3.4Å; D1309-N1311 VanDerWaalsContact C-N 3.27Å; D1309-N1311 PolarHBondContact O-N 3.5Å; D1309-N1311 WeakPolarHBondContact OD1-CB 3.42Å; D1309-N1311 PolarHBondContact OD1-N 2.99Å |
| 1312 | E | 73.9 | Confident | 76.2 | Confident | 104 Ų | 104 | 43.7 Ų | 43.7 | 49% | 0.486 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.9 | -176.5 | -65.4 | -176.6 | 163.6 | 0 | 0 | 113.5 | D1309 S1314 | D1309-E1312 HydrophobicContact CB-CB 4.21Å; D1309-E1312 PolarHBondContact OD1-N 3.09Å; D1309-E1312 VanDerWaalsContact OD1-N 3.16Å; E1312-S1314 WeakPolarHBondContact CB-OG 3.49Å; E1312-S1314 PolarHBondContact O-N 3.42Å; E1312-S1314 PolarHBondContact OE2-OG 3.26Å |
| 1313 | H | 74.5 | Confident | 76.3 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 39.5 | -163.4 | -86 | -76.9 | 0 | 0 | 0 | 111.8 | Y1269 D1309 F1382 I1383 | Y1269-H1313 AromaticContact CE2-CE1 3.47Å; Y1269-H1313 VanDerWaalsContact CE2-CE1 3.47Å; Y1269-H1313 WeakPolarHBondContact CE2-CE1 3.48Å; Y1269-H1313 AromaticContact CE2-NE2 3.82Å; Y1269-H1313 AromaticContact CZ-CE1 3.47Å; Y1269-H1313 VanDerWaalsContact CZ-CE1 3.47Å; Y1269-H1313 AromaticContact CZ-NE2 3.6Å; Y1269-H1313 PolarHBondContact OH-CE1 3.01Å; Y1269-H1313 PolarHBondContact OH-NE2 2.93Å; Y1269-H1313 VanDerWaalsContact OH-NE2 3.11Å; D1309-H1313 WeakPolarHBondContact O-CA 3.48Å; D1309-H1313 PolarHBondContact O-N 3.08Å; H1313-F1382 HydrophobicContact CB-CD1 4.21Å; H1313-F1382 HydrophobicContact CB-CE1 4.28Å; H1313-F1382 AromaticContact ND1-CD1 3.99Å; H1313-F1382 AromaticContact ND1-CE1 3.24Å; H1313-F1382 WeakPolarHBondContact ND1-CE1 3.28Å; H1313-F1382 AromaticContact ND1-CZ 3.42Å; H1313-F1382 WeakPolarHBondContact ND1-CZ 3.37Å; H1313-F1382 VanDerWaalsContact O-CA 3.24Å; H1313-F1382 WeakPolarHBondContact O-CA 3.34Å; H1313-F1382 WeakPolarHBondContact O-CB 3.43Å; H1313-F1382 VanDerWaalsContact O-CD1 3.23Å; H1313-F1382 WeakPolarHBondContact O-CD1 3.01Å; H1313-I1383 PolarHBondContact O-N 3.46Å |
| 1314 | S | 76.7 | Confident | 76.5 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 149.1 | 174.5 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | I1308 D1309 E1312 I1383 Y1385 | I1308-S1314 WeakPolarHBondContact CA-O 3.33Å; D1309-S1314 VanDerWaalsContact CB-OG 3.29Å; D1309-S1314 WeakPolarHBondContact CB-OG 3.44Å; D1309-S1314 PolarHBondContact N-O 3.32Å; E1312-S1314 WeakPolarHBondContact CB-OG 3.49Å; E1312-S1314 PolarHBondContact O-N 3.42Å; E1312-S1314 PolarHBondContact OE2-OG 3.26Å; S1314-I1383 CarbonylContact C-O 3.53Å; S1314-I1383 VanDerWaalsContact CA-O 3.25Å; S1314-I1383 WeakPolarHBondContact CA-O 3.38Å; S1314-Y1385 VanDerWaalsContact CB-CE2 3.47Å |
| 1315 | V | 81 | Confident | 76.4 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 117.6 | 171.9 | 174.2 | 0 | 0 | 0 | 0 | 107.8 | F1306 L1307 I1308 F1379 F1382 I1383 I1384 Y1385 | F1306-V1315 HydrophobicContact CD1-CG1 4.11Å; L1307-V1315 CarbonylContact O-C 3.11Å; L1307-V1315 WeakPolarHBondContact O-CA 3.31Å; I1308-V1315 HydrophobicContact CG1-CG2 4.28Å; I1308-V1315 HydrophobicContact CG2-CG2 4.41Å; V1315-F1379 HydrophobicContact CG2-CD1 3.88Å; V1315-F1379 HydrophobicContact CG2-CE1 4.3Å; V1315-F1379 HydrophobicContact CG2-CG 4.27Å; V1315-F1382 HydrophobicContact CB-CB 4.42Å; V1315-F1382 HydrophobicContact CG2-CB 3.69Å; V1315-F1382 HydrophobicContact CG2-CD1 3.69Å; V1315-F1382 HydrophobicContact CG2-CG 3.83Å; V1315-I1383 PolarHBondContact N-O 2.81Å; V1315-I1384 WeakPolarHBondContact O-CA 3.27Å; V1315-Y1385 PolarHBondContact O-N 3.49Å |
| 1316 | I | 80.4 | Confident | 76.2 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 122 | 170.8 | -52.3 | 129.1 | 0 | 0 | 0 | 107.2 | L1307 I1337 I1355 Y1385 | L1307-I1316 HydrophobicContact CB-CB 4.31Å; L1307-I1316 HydrophobicContact CB-CD1 4.17Å; L1307-I1316 PolarHBondContact N-O 3.21Å; L1307-I1316 PolarHBondContact O-N 2.96Å; I1316-I1337 HydrophobicContact CB-CD1 4.28Å; I1316-I1337 HydrophobicContact CD1-CD1 4.33Å; I1316-I1337 HydrophobicContact CG2-CD1 3.7Å; I1316-I1355 HydrophobicContact CD1-CD1 3.83Å; I1316-I1355 HydrophobicContact CD1-CG1 4.45Å; I1316-I1355 HydrophobicContact CG1-CD1 4.38Å; I1316-I1355 HydrophobicContact CG1-CG2 4Å; I1316-I1355 HydrophobicContact CG2-CG1 4.44Å; I1316-I1355 HydrophobicContact CG2-CG2 4.46Å; I1316-Y1385 HydrophobicContact CG1-CG 4.45Å |
| 1317 | F | 79.9 | Confident | 75.8 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.4 | -179.1 | 174.3 | -118.8 | 0 | 0 | 0 | 111 | Y1303 F1306 Y1385 S1387 | Y1303-F1317 WeakPolarHBondContact O-CE2 3.35Å; Y1303-F1317 VanDerWaalsContact O-CZ 3.26Å; Y1303-F1317 WeakPolarHBondContact O-CZ 3.39Å; F1306-F1317 AromaticContact CD1-CD2 3.72Å; F1306-F1317 HydrophobicContact CD1-CD2 3.72Å; F1306-F1317 HydrophobicContact CD1-CE2 4.46Å; F1306-F1317 AromaticContact CE1-CD2 3.31Å; F1306-F1317 HydrophobicContact CE1-CD2 3.31Å; F1306-F1317 AromaticContact CE1-CE2 3.74Å; F1306-F1317 HydrophobicContact CE1-CE2 3.74Å; F1306-F1317 HydrophobicContact CE1-CG 4.2Å; F1306-F1317 HydrophobicContact CE2-CD2 4.23Å; F1306-F1317 HydrophobicContact CE2-CE2 4.07Å; F1306-F1317 HydrophobicContact CG-CD2 4.33Å; F1306-F1317 AromaticContact CZ-CD2 3.61Å; F1306-F1317 HydrophobicContact CZ-CD2 3.61Å; F1306-F1317 AromaticContact CZ-CE2 3.51Å; F1306-F1317 HydrophobicContact CZ-CE2 3.51Å; F1317-Y1385 PolarHBondContact N-O 2.81Å; F1317-S1387 PolarHBondContact O-OG 3.28Å |
| 1318 | I | 81.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 96.7 | 176.5 | -44.2 | -173.1 | 0 | 0 | 0 | 107.7 | A1305 L1307 M1320 I1326 I1337 C1339 Y1353 | A1305-I1318 HydrophobicContact CB-CB 4.24Å; A1305-I1318 PolarHBondContact N-O 2.69Å; A1305-I1318 VanDerWaalsContact N-O 3.15Å; A1305-I1318 PolarHBondContact O-N 3.21Å; L1307-I1318 HydrophobicContact CD1-CD1 3.86Å; L1307-I1318 HydrophobicContact CD1-CG1 4.36Å; I1318-M1320 PolarHBondContact O-N 3.13Å; I1318-I1326 HydrophobicContact CB-CD1 4.43Å; I1318-I1326 HydrophobicContact CG2-CD1 4.01Å; I1318-I1337 HydrophobicContact CD1-CD1 4.35Å; I1318-I1337 HydrophobicContact CD1-CG2 4.01Å; I1318-C1339 WeakPolarHBondContact CD1-SG 3.48Å; I1318-Y1353 HydrophobicContact CD1-CD2 4.42Å; I1318-Y1353 HydrophobicContact CG2-CD1 4.36Å; I1318-Y1353 HydrophobicContact CG2-CE1 3.85Å; I1318-Y1353 HydrophobicContact CG2-CE2 4.08Å |
| 1319 | S | 71.6 | Confident | 75.3 | Confident | 70 Ų | 70 | 41.8 Ų | 41.8 | 49% | 0.49 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 128.9 | 176.7 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1320 | M | 67.9 | Low | 75.2 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 19% | 0.192 | 22% | 0.222 | C | C | . | . | trans | -64.3 | 156.9 | 161.9 | -63.6 | -94.1 | -86.6 | 0 | 0 | 109.3 | E1283 I1318 T1325 I1326 | E1283-M1320 WeakPolarHBondContact OE2-CE 3.35Å; I1318-M1320 PolarHBondContact O-N 3.13Å; M1320-T1325 HydrophobicContact CE-CG2 4.11Å; M1320-I1326 HydrophobicContact CG-CD1 4.46Å; M1320-I1326 HydrophobicContact SD-CB 4.15Å; M1320-I1326 HydrophobicContact SD-CD1 3.92Å; M1320-I1326 HydrophobicContact SD-CG1 3.72Å | ||
| 1321 | T | 66.4 | Low | 75.2 | Confident | 76 Ų | 76 | 41.4 Ų | 41.4 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | B | Isolated β-bridge | trans | -129.3 | 158.1 | 160.3 | 67.9 | 0 | 0 | 0 | 0 | 107.8 | N1323 F1324 | T1321-N1323 PolarHBondContact O-N 2.94Å; T1321-F1324 PolarHBondContact O-N 3.36Å; T1321-F1324 WeakPolarHBondContact OG1-CE1 3.26Å |
| 1322 | N | 62.2 | Low | 75.2 | Confident | 155 Ų | 155 | 36.6 Ų | 36.6 | 83% | 0.829 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 2.8 | -173.7 | -59.3 | 26.9 | 0 | 0 | 0 | 115.4 | T1344 | N1322-T1344 VanDerWaalsContact O-CG2 3.24Å; N1322-T1344 WeakPolarHBondContact O-CG2 3.46Å |
| 1323 | N | 72.4 | Confident | 74.9 | Confident | 110 Ų | 110 | 37.5 Ų | 37.5 | 59% | 0.588 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -8.2 | -176.1 | -62.1 | 23 | 0 | 0 | 0 | 113.3 | T1321 T1343 T1344 | T1321-N1323 PolarHBondContact O-N 2.94Å; N1323-T1343 CarbonylContact O-C 3.53Å; N1323-T1343 WeakPolarHBondContact O-CA 3.45Å; N1323-T1344 PolarHBondContact O-N 3.01Å; N1323-T1344 PolarHBondContact O-OG1 3Å |
| 1324 | F | 77.3 | Confident | 74.7 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 155.9 | 176.1 | 72.6 | -83.4 | 0 | 0 | 0 | 114.1 | T1321 I1326 C1341 F1342 K1351 | T1321-F1324 PolarHBondContact O-N 3.36Å; T1321-F1324 WeakPolarHBondContact OG1-CE1 3.26Å; F1324-I1326 HydrophobicContact CD2-CG1 4.14Å; F1324-I1326 HydrophobicContact CE2-CD1 4.05Å; F1324-I1326 HydrophobicContact CE2-CG1 3.74Å; F1324-C1341 HydrophobicContact CD2-CB 4.01Å; F1324-F1342 CarbonylContact C-O 3.57Å; F1324-F1342 WeakPolarHBondContact CA-O 3.42Å; F1324-F1342 WeakPolarHBondContact CB-O 3.43Å; F1324-K1351 HydrophobicContact CE2-CD 4.46Å |
| 1325 | T | 75 | Confident | 74.5 | Confident | 44 Ų | 44 | 41.7 Ų | 41.7 | 27% | 0.27 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 157.6 | 171.7 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | E1283 M1320 H1327 C1341 F1342 | E1283-T1325 WeakPolarHBondContact OE1-CB 3.45Å; E1283-T1325 WeakPolarHBondContact OE1-CG2 3.33Å; M1320-T1325 HydrophobicContact CE-CG2 4.11Å; T1325-H1327 PolarHBondContact OG1-CD2 3.4Å; T1325-H1327 PolarHBondContact OG1-NE2 3.17Å; T1325-C1341 CarbonylContact O-C 3.57Å; T1325-C1341 WeakPolarHBondContact O-CA 3.42Å; T1325-C1341 WeakPolarHBondContact O-CB 3.39Å; T1325-F1342 PolarHBondContact N-O 2.88Å; T1325-F1342 PolarHBondContact O-N 3.34Å |
| 1326 | I | 77.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.4 | -178.4 | -58.7 | 169.5 | 0 | 0 | 0 | 110.1 | T1299 A1305 I1318 M1320 F1324 T1329 C1339 | T1299-I1326 HydrophobicContact CG2-CB 4.09Å; T1299-I1326 PolarHBondContact OG1-O 3.23Å; A1305-I1326 HydrophobicContact CB-CB 4.49Å; A1305-I1326 HydrophobicContact CB-CD1 3.8Å; A1305-I1326 HydrophobicContact CB-CG2 4.04Å; I1318-I1326 HydrophobicContact CB-CD1 4.43Å; I1318-I1326 HydrophobicContact CG2-CD1 4.01Å; M1320-I1326 HydrophobicContact CG-CD1 4.46Å; M1320-I1326 HydrophobicContact SD-CB 4.15Å; M1320-I1326 HydrophobicContact SD-CD1 3.92Å; M1320-I1326 HydrophobicContact SD-CG1 3.72Å; F1324-I1326 HydrophobicContact CD2-CG1 4.14Å; F1324-I1326 HydrophobicContact CE2-CD1 4.05Å; F1324-I1326 HydrophobicContact CE2-CG1 3.74Å; I1326-T1329 HydrophobicContact CG2-CG2 3.42Å; I1326-T1329 VanDerWaalsContact CG2-CG2 3.42Å; I1326-C1339 HydrophobicContact CG2-CB 4.36Å |
| 1327 | H | 74.7 | Confident | 74.3 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.06 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -24.6 | -174.1 | -79.4 | -134.3 | 0 | 0 | 0 | 114.2 | N1284 S1286 T1325 F1340 F1342 L1404 | N1284-H1327 PolarHBondContact ND2-CE1 2.87Å; N1284-H1327 PolarHBondContact ND2-NE2 3.26Å; S1286-H1327 WeakPolarHBondContact CB-O 2.99Å; T1325-H1327 PolarHBondContact OG1-CD2 3.4Å; T1325-H1327 PolarHBondContact OG1-NE2 3.17Å; H1327-F1340 HydrophobicContact CB-CD1 4.07Å; H1327-F1340 PolarHBondContact N-O 3.33Å; H1327-F1342 HydrophobicContact CB-CD2 4.33Å; H1327-F1342 HydrophobicContact CB-CE2 4.19Å; H1327-F1342 AromaticContact CD2-CD2 3.51Å; H1327-F1342 AromaticContact CE1-CD2 3.69Å; H1327-F1342 AromaticContact CE1-CE2 3.86Å; H1327-F1342 AromaticContact CG-CD2 3.65Å; H1327-F1342 AromaticContact CG-CE2 3.73Å; H1327-F1342 AromaticContact ND1-CD2 3.78Å; H1327-F1342 AromaticContact ND1-CE2 3.61Å; H1327-F1342 AromaticContact NE2-CD2 3.55Å; H1327-L1404 PolarHBondContact ND1-O 2.83Å |
| 1328 | S | 76.9 | Confident | 74.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 154.8 | 171.3 | -176 | 0 | 0 | 0 | 0 | 110.9 | C1339 F1340 T1408 | S1328-C1339 WeakPolarHBondContact O-CA 3.15Å; S1328-F1340 PolarHBondContact N-O 3.08Å; S1328-F1340 PolarHBondContact O-N 2.92Å; S1328-T1408 WeakPolarHBondContact OG-CG2 3.4Å; S1328-T1408 PolarHBondContact OG-OG1 2.81Å |
| 1329 | T | 77.7 | Confident | 74.6 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 145.7 | -176.9 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | Y1288 S1297 A1305 I1326 I1338 C1339 | Y1288-T1329 WeakPolarHBondContact CD1-O 3.43Å; S1297-T1329 WeakPolarHBondContact CB-OG1 3.5Å; S1297-T1329 PolarHBondContact OG-OG1 3.42Å; A1305-T1329 HydrophobicContact CB-CG2 4.1Å; I1326-T1329 HydrophobicContact CG2-CG2 3.42Å; I1326-T1329 VanDerWaalsContact CG2-CG2 3.42Å; T1329-I1338 CarbonylContact C-O 3.49Å; T1329-I1338 WeakPolarHBondContact CA-O 3.42Å; T1329-C1339 HydrophobicContact CG2-CB 3.92Å |
| 1330 | I | 80.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 130.7 | -179.4 | -176.2 | 164.7 | 0 | 0 | 0 | 111.1 | Y1288 I1337 I1338 L1410 I1417 Y1419 | Y1288-I1330 HydrophobicContact CE1-CB 4.27Å; Y1288-I1330 HydrophobicContact CE1-CD1 4.33Å; Y1288-I1330 HydrophobicContact CE1-CG1 3.85Å; Y1288-I1330 HydrophobicContact CE2-CD1 3.93Å; Y1288-I1330 HydrophobicContact CE2-CG1 4.29Å; Y1288-I1330 VanDerWaalsContact OH-CD1 3.26Å; Y1288-I1330 WeakPolarHBondContact OH-CD1 3.17Å; Y1288-I1330 WeakPolarHBondContact OH-CG1 3.42Å; I1330-I1337 CarbonylContact O-C 3.57Å; I1330-I1337 WeakPolarHBondContact O-CA 3.49Å; I1330-I1338 HydrophobicContact CG2-CB 3.97Å; I1330-I1338 PolarHBondContact N-O 3.18Å; I1330-I1338 PolarHBondContact O-N 2.86Å; I1330-L1410 HydrophobicContact CD1-CB 4.21Å; I1330-L1410 HydrophobicContact CD1-CD1 4.1Å; I1330-I1417 HydrophobicContact CD1-CD1 4.25Å; I1330-I1417 HydrophobicContact CD1-CG1 4.16Å; I1330-I1417 HydrophobicContact CD1-CG2 3.85Å; I1330-I1417 HydrophobicContact CG2-CD1 4.09Å; I1330-I1417 HydrophobicContact CG2-CG2 4.38Å; I1330-Y1419 WeakPolarHBondContact CG2-OH 3.41Å |
| 1331 | K | 77 | Confident | 75.9 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 143.7 | 170.1 | 169.2 | 166.7 | 154.4 | -164.9 | 0 | 109.3 | L1293 I1295 L1307 D1309 I1337 I1355 | L1293-K1331 WeakPolarHBondContact CD1-O 3.41Å; I1295-K1331 HydrophobicContact CD1-CB 3.93Å; I1295-K1331 HydrophobicContact CD1-CD 3.43Å; I1295-K1331 VanDerWaalsContact CD1-CD 3.43Å; I1295-K1331 HydrophobicContact CD1-CG 3.78Å; I1295-K1331 HydrophobicContact CG1-CD 4.46Å; L1307-K1331 HydrophobicContact CD2-CB 3.85Å; D1309-K1331 IonicContact OD2-NZ 2.91Å; D1309-K1331 PolarHBondContact OD2-NZ 2.99Å; K1331-I1337 HydrophobicContact CB-CG1 4.23Å; K1331-I1355 HydrophobicContact CD-CD1 3.95Å |
| 1332 | L | 75 | Confident | 76.4 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | trans | -104.8 | 163 | 172.8 | -77.7 | 178.5 | 0 | 0 | 0 | 111.6 | S1334 N1335 Y1336 I1338 L1410 N1414 I1417 | L1332-S1334 WeakPolarHBondContact CB-OG 3.28Å; L1332-S1334 PolarHBondContact O-N 2.98Å; L1332-S1334 VanDerWaalsContact O-N 3.16Å; L1332-N1335 PolarHBondContact O-N 3.08Å; L1332-Y1336 PolarHBondContact N-O 3.09Å; L1332-I1338 HydrophobicContact CD1-CD1 3.83Å; L1332-I1338 HydrophobicContact CD1-CG1 4.45Å; L1332-I1338 HydrophobicContact CG-CD1 4.45Å; L1332-L1410 HydrophobicContact CD2-CD1 4.37Å; L1332-N1414 HydrophobicContact CD2-CB 4.39Å; L1332-N1414 WeakPolarHBondContact CD2-O 3.07Å; L1332-I1417 HydrophobicContact CD2-CD1 4.01Å; L1332-I1417 HydrophobicContact CG-CD1 4.42Å | ||
| 1333 | Q | 68.2 | Low | 76.9 | Confident | 124 Ų | 124 | 27.5 Ų | 27.5 | 58% | 0.579 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20 | 170.4 | -73.8 | -170.8 | -4.3 | 0 | 0 | 113.6 | L1293 N1335 N1414 | L1293-Q1333 HydrophobicContact CD2-CG 3.4Å; L1293-Q1333 VanDerWaalsContact CD2-CG 3.4Å; Q1333-N1335 PolarHBondContact O-N 3.11Å; Q1333-N1414 PolarHBondContact NE2-ND2 3.27Å; Q1333-N1414 PolarHBondContact OE1-ND2 2.91Å; Q1333-N1414 VanDerWaalsContact OE1-ND2 3.11Å |
| 1334 | S | 69.3 | Low | 76.8 | Confident | 49 Ų | 49 | 26.6 Ų | 26.6 | 34% | 0.343 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 6.2 | 172.6 | 51.1 | 0 | 0 | 0 | 0 | 114 | L1332 Y1336 | L1332-S1334 WeakPolarHBondContact CB-OG 3.28Å; L1332-S1334 PolarHBondContact O-N 2.98Å; L1332-S1334 VanDerWaalsContact O-N 3.16Å; S1334-Y1336 PolarHBondContact O-N 3.01Å; S1334-Y1336 VanDerWaalsContact O-N 3.14Å |
| 1335 | N | 71.7 | Confident | 76.4 | Confident | 92 Ų | 92 | 32.9 Ų | 32.9 | 49% | 0.492 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 58.6 | 14.6 | -174.1 | -79.5 | -24.2 | 0 | 0 | 0 | 115.5 | L1332 Q1333 I1355 | L1332-N1335 PolarHBondContact O-N 3.08Å; Q1333-N1335 PolarHBondContact O-N 3.11Å; N1335-I1355 WeakPolarHBondContact O-CD1 3.44Å |
| 1336 | Y | 78.6 | Confident | 75.8 | Confident | 57 Ų | 57 | 35.9 Ų | 35.9 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 138.5 | 164.8 | -66.1 | -59 | 0 | 0 | 0 | 111 | L1332 S1334 Y1353 E1354 K1390 | L1332-Y1336 PolarHBondContact N-O 3.09Å; S1334-Y1336 PolarHBondContact O-N 3.01Å; S1334-Y1336 VanDerWaalsContact O-N 3.14Å; Y1336-Y1353 WeakPolarHBondContact CA-O 3.5Å; Y1336-E1354 HydrophobicContact CD1-CB 4.24Å; Y1336-E1354 HydrophobicContact CE1-CB 3.77Å; Y1336-E1354 HydrophobicContact CE1-CG 3.74Å; Y1336-E1354 VanDerWaalsContact CE1-OE1 3.29Å; Y1336-E1354 WeakPolarHBondContact CE1-OE1 3.17Å; Y1336-E1354 PolarHBondContact OH-OE1 3.12Å; Y1336-K1390 HydrophobicContact CD1-CD 4.19Å; Y1336-K1390 HydrophobicContact CE1-CD 3.36Å; Y1336-K1390 VanDerWaalsContact CZ-NZ 3.28Å; Y1336-K1390 PolarHBondContact OH-NZ 3.01Å |
| 1337 | I | 80.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.4 | 169.6 | -53.8 | 166.5 | 0 | 0 | 0 | 107.7 | L1307 I1316 I1318 I1330 K1331 F1352 Y1353 I1355 | L1307-I1337 HydrophobicContact CD1-CD1 4.29Å; L1307-I1337 HydrophobicContact CD1-CG2 4.06Å; L1307-I1337 HydrophobicContact CD2-CB 4.42Å; L1307-I1337 HydrophobicContact CD2-CD1 3.86Å; L1307-I1337 HydrophobicContact CD2-CG1 3.89Å; L1307-I1337 HydrophobicContact CD2-CG2 3.66Å; I1316-I1337 HydrophobicContact CB-CD1 4.28Å; I1316-I1337 HydrophobicContact CD1-CD1 4.33Å; I1316-I1337 HydrophobicContact CG2-CD1 3.7Å; I1318-I1337 HydrophobicContact CD1-CD1 4.35Å; I1318-I1337 HydrophobicContact CD1-CG2 4.01Å; I1330-I1337 CarbonylContact O-C 3.57Å; I1330-I1337 WeakPolarHBondContact O-CA 3.49Å; K1331-I1337 HydrophobicContact CB-CG1 4.23Å; I1337-F1352 CarbonylContact O-C 3.56Å; I1337-F1352 WeakPolarHBondContact O-CA 3.32Å; I1337-Y1353 PolarHBondContact N-O 3.49Å; I1337-Y1353 PolarHBondContact O-N 3.3Å; I1337-I1355 HydrophobicContact CD1-CD1 3.87Å; I1337-I1355 HydrophobicContact CD1-CG1 3.67Å; I1337-I1355 HydrophobicContact CG1-CD1 3.94Å; I1337-I1355 HydrophobicContact CG1-CG1 4.02Å |
| 1338 | I | 84.1 | Confident | 75.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.2 | 172.7 | -49.7 | -178.5 | 0 | 0 | 0 | 107.7 | T1329 I1330 L1332 L1350 K1351 F1352 I1417 Y1419 | T1329-I1338 CarbonylContact C-O 3.49Å; T1329-I1338 WeakPolarHBondContact CA-O 3.42Å; I1330-I1338 HydrophobicContact CG2-CB 3.97Å; I1330-I1338 PolarHBondContact N-O 3.18Å; I1330-I1338 PolarHBondContact O-N 2.86Å; L1332-I1338 HydrophobicContact CD1-CD1 3.83Å; L1332-I1338 HydrophobicContact CD1-CG1 4.45Å; L1332-I1338 HydrophobicContact CG-CD1 4.45Å; I1338-L1350 HydrophobicContact CG2-CB 4.18Å; I1338-L1350 HydrophobicContact CG2-CD2 3.8Å; I1338-L1350 HydrophobicContact CG2-CG 4.45Å; I1338-K1351 CarbonylContact C-O 3.52Å; I1338-K1351 WeakPolarHBondContact CA-O 3.49Å; I1338-F1352 HydrophobicContact CD1-CD1 4.05Å; I1338-F1352 HydrophobicContact CD1-CE1 3.44Å; I1338-F1352 VanDerWaalsContact CD1-CE1 3.44Å; I1338-F1352 HydrophobicContact CD1-CZ 3.91Å; I1338-F1352 HydrophobicContact CG1-CD1 3.75Å; I1338-F1352 HydrophobicContact CG1-CE1 3.67Å; I1338-F1352 HydrophobicContact CG1-CG 4.4Å; I1338-F1352 HydrophobicContact CG1-CZ 4.24Å; I1338-F1352 HydrophobicContact CG2-CE2 4.39Å; I1338-F1352 HydrophobicContact CG2-CZ 4.33Å; I1338-I1417 HydrophobicContact CD1-CD1 3.83Å; I1338-Y1419 WeakPolarHBondContact CG2-OH 3.42Å |
| 1339 | C | 83.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.8 | 175.4 | -51.2 | 0 | 0 | 0 | 0 | 108.9 | I1318 I1326 S1328 T1329 C1341 L1350 K1351 Y1353 | I1318-C1339 WeakPolarHBondContact CD1-SG 3.48Å; I1326-C1339 HydrophobicContact CG2-CB 4.36Å; S1328-C1339 WeakPolarHBondContact O-CA 3.15Å; T1329-C1339 HydrophobicContact CG2-CB 3.92Å; C1339-C1341 VanDerWaalsContact CB-SG 3.57Å; C1339-L1350 CarbonylContact O-C 3.09Å; C1339-L1350 WeakPolarHBondContact O-CA 3.3Å; C1339-K1351 HydrophobicContact CB-CB 4.38Å; C1339-K1351 PolarHBondContact N-O 3.49Å; C1339-K1351 PolarHBondContact O-N 3.47Å; C1339-Y1353 HydrophobicContact CB-CD2 4.48Å; C1339-Y1353 HydrophobicContact CB-CE2 4.09Å; C1339-Y1353 VanDerWaalsContact SG-CD2 3.54Å; C1339-Y1353 VanDerWaalsContact SG-CE2 3.56Å |
| 1340 | F | 83.9 | Confident | 76 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 111.9 | 170.9 | -179.1 | -100.8 | 0 | 0 | 0 | 108.3 | H1327 S1328 F1342 L1350 L1395 C1406 Y1419 F1421 | H1327-F1340 HydrophobicContact CB-CD1 4.07Å; H1327-F1340 PolarHBondContact N-O 3.33Å; S1328-F1340 PolarHBondContact N-O 3.08Å; S1328-F1340 PolarHBondContact O-N 2.92Å; F1340-F1342 HydrophobicContact CD1-CE2 4.16Å; F1340-F1342 AromaticContact CE1-CE2 3.51Å; F1340-F1342 HydrophobicContact CE1-CE2 3.51Å; F1340-F1342 AromaticContact CE1-CZ 3.72Å; F1340-F1342 HydrophobicContact CE1-CZ 3.72Å; F1340-F1342 HydrophobicContact CZ-CE2 4.14Å; F1340-F1342 AromaticContact CZ-CZ 3.91Å; F1340-F1342 HydrophobicContact CZ-CZ 3.91Å; F1340-L1350 HydrophobicContact CB-CD2 4.15Å; F1340-L1350 HydrophobicContact CD2-CD2 3.9Å; F1340-L1395 HydrophobicContact CD2-CD1 4.01Å; F1340-L1395 HydrophobicContact CE2-CD1 3.68Å; F1340-C1406 HydrophobicContact CD1-CB 4.34Å; F1340-C1406 HydrophobicContact CE1-CB 4.33Å; F1340-Y1419 HydrophobicContact CB-CD1 3.9Å; F1340-Y1419 HydrophobicContact CB-CE1 3.53Å; F1340-Y1419 HydrophobicContact CD2-CD1 4.32Å; F1340-Y1419 HydrophobicContact CG-CD1 4.09Å; F1340-Y1419 HydrophobicContact CG-CE1 4.21Å; F1340-F1421 AromaticContact CE1-CE1 3.75Å; F1340-F1421 HydrophobicContact CE1-CE1 3.75Å; F1340-F1421 HydrophobicContact CE1-CZ 4.39Å; F1340-F1421 HydrophobicContact CE2-CE1 4.39Å; F1340-F1421 HydrophobicContact CE2-CZ 4.27Å; F1340-F1421 AromaticContact CZ-CE1 3.56Å; F1340-F1421 HydrophobicContact CZ-CE1 3.56Å; F1340-F1421 AromaticContact CZ-CZ 3.74Å; F1340-F1421 HydrophobicContact CZ-CZ 3.74Å |
| 1341 | C | 82.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 156.1 | -166.4 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | F1324 T1325 C1339 E1349 K1351 | F1324-C1341 HydrophobicContact CD2-CB 4.01Å; T1325-C1341 CarbonylContact O-C 3.57Å; T1325-C1341 WeakPolarHBondContact O-CA 3.42Å; T1325-C1341 WeakPolarHBondContact O-CB 3.39Å; C1339-C1341 VanDerWaalsContact CB-SG 3.57Å; C1341-E1349 PolarHBondContact N-O 3.41Å; C1341-E1349 PolarHBondContact O-N 3.46Å; C1341-K1351 HydrophobicContact CB-CD 4.31Å |
| 1342 | F | 76 | Confident | 76.6 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.8 | 170.6 | -72.6 | -87.7 | 0 | 0 | 0 | 110.8 | F1324 T1325 H1327 F1340 E1347 C1348 A1400 F1403 | F1324-F1342 CarbonylContact C-O 3.57Å; F1324-F1342 WeakPolarHBondContact CA-O 3.42Å; F1324-F1342 WeakPolarHBondContact CB-O 3.43Å; T1325-F1342 PolarHBondContact N-O 2.88Å; T1325-F1342 PolarHBondContact O-N 3.34Å; H1327-F1342 HydrophobicContact CB-CD2 4.33Å; H1327-F1342 HydrophobicContact CB-CE2 4.19Å; H1327-F1342 AromaticContact CD2-CD2 3.51Å; H1327-F1342 AromaticContact CE1-CD2 3.69Å; H1327-F1342 AromaticContact CE1-CE2 3.86Å; H1327-F1342 AromaticContact CG-CD2 3.65Å; H1327-F1342 AromaticContact CG-CE2 3.73Å; H1327-F1342 AromaticContact ND1-CD2 3.78Å; H1327-F1342 AromaticContact ND1-CE2 3.61Å; H1327-F1342 AromaticContact NE2-CD2 3.55Å; F1340-F1342 HydrophobicContact CD1-CE2 4.16Å; F1340-F1342 AromaticContact CE1-CE2 3.51Å; F1340-F1342 HydrophobicContact CE1-CE2 3.51Å; F1340-F1342 AromaticContact CE1-CZ 3.72Å; F1340-F1342 HydrophobicContact CE1-CZ 3.72Å; F1340-F1342 HydrophobicContact CZ-CE2 4.14Å; F1340-F1342 AromaticContact CZ-CZ 3.91Å; F1340-F1342 HydrophobicContact CZ-CZ 3.91Å; F1342-E1347 CarbonylContact C-O 3.56Å; F1342-E1347 VanDerWaalsContact CA-O 3.3Å; F1342-E1347 WeakPolarHBondContact CA-O 3.49Å; F1342-C1348 HydrophobicContact CE1-CB 4.27Å; F1342-C1348 WeakPolarHBondContact CE1-SG 3.38Å; F1342-A1400 HydrophobicContact CD1-CB 3.63Å; F1342-A1400 HydrophobicContact CE1-CB 3.57Å; F1342-F1403 HydrophobicContact CE1-CB 4.48Å; F1342-F1403 HydrophobicContact CE2-CB 4.41Å; F1342-F1403 HydrophobicContact CZ-CB 3.69Å; F1342-F1403 HydrophobicContact CZ-CD2 4.38Å; F1342-F1403 HydrophobicContact CZ-CG 4.39Å |
| 1343 | T | 73.9 | Confident | 77.1 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 13% | 0.129 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 162.3 | 174.6 | 72.8 | 0 | 0 | 0 | 0 | 111.7 | N1323 Q1345 H1346 E1347 E1349 | N1323-T1343 CarbonylContact O-C 3.53Å; N1323-T1343 WeakPolarHBondContact O-CA 3.45Å; T1343-Q1345 PolarHBondContact O-N 3.34Å; T1343-Q1345 VanDerWaalsContact O-N 3.14Å; T1343-Q1345 PolarHBondContact OG1-N 2.79Å; T1343-H1346 WeakPolarHBondContact O-CA 3.44Å; T1343-H1346 PolarHBondContact O-N 2.94Å; T1343-H1346 PolarHBondContact OG1-N 3.15Å; T1343-E1347 HydrophobicContact CG2-CB 4.15Å; T1343-E1347 PolarHBondContact N-O 3.5Å; T1343-E1347 PolarHBondContact OG1-N 3.2Å; T1343-E1349 HydrophobicContact CG2-CG 4.3Å; T1343-E1349 WeakPolarHBondContact CG2-OE2 3.43Å |
| 1344 | T | 68.9 | Low | 77.8 | Confident | 92 Ų | 92 | 38.8 Ų | 38.8 | 56% | 0.564 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7 | 167.9 | 48.1 | 0 | 0 | 0 | 0 | 113.9 | N1322 N1323 H1346 | N1322-T1344 VanDerWaalsContact O-CG2 3.24Å; N1322-T1344 WeakPolarHBondContact O-CG2 3.46Å; N1323-T1344 PolarHBondContact O-N 3.01Å; N1323-T1344 PolarHBondContact O-OG1 3Å; T1344-H1346 VanDerWaalsContact C-N 3.34Å |
| 1345 | Q | 68.6 | Low | 78.1 | Confident | 155 Ų | 155 | 38 Ų | 38 | 72% | 0.724 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95 | 6.1 | 169.4 | -67.7 | 177.2 | -52.4 | 0 | 0 | 111.9 | T1343 | T1343-Q1345 PolarHBondContact O-N 3.34Å; T1343-Q1345 VanDerWaalsContact O-N 3.14Å; T1343-Q1345 PolarHBondContact OG1-N 2.79Å |
| 1346 | H | 62.7 | Low | 78.2 | Confident | 107 Ų | 107 | 38.6 Ų | 38.6 | 50% | 0.495 | 18% | 0.184 | S | C | . | . | trans | 64.2 | 32.1 | -178 | -55.8 | -83.1 | 0 | 0 | 0 | 114.4 | T1343 T1344 A1400 N1401 | T1343-H1346 WeakPolarHBondContact O-CA 3.44Å; T1343-H1346 PolarHBondContact O-N 2.94Å; T1343-H1346 PolarHBondContact OG1-N 3.15Å; T1344-H1346 VanDerWaalsContact C-N 3.34Å; H1346-A1400 HydrophobicContact CB-CB 4Å; H1346-A1400 WeakPolarHBondContact O-CB 3.49Å; H1346-N1401 PolarHBondContact CE1-OD1 3.29Å; H1346-N1401 PolarHBondContact ND1-OD1 2.88Å | ||
| 1347 | E | 70.3 | Confident | 77.7 | Confident | 87 Ų | 87 | 41.8 Ų | 41.8 | 41% | 0.407 | 20% | 0.201 | S | C | . | . | trans | -91.7 | 151 | 169.6 | -59.6 | -173.6 | -171.7 | 0 | 0 | 111.3 | F1342 T1343 N1394 | F1342-E1347 CarbonylContact C-O 3.56Å; F1342-E1347 VanDerWaalsContact CA-O 3.3Å; F1342-E1347 WeakPolarHBondContact CA-O 3.49Å; T1343-E1347 HydrophobicContact CG2-CB 4.15Å; T1343-E1347 PolarHBondContact N-O 3.5Å; T1343-E1347 PolarHBondContact OG1-N 3.2Å; E1347-N1394 PolarHBondContact OE2-ND2 3.42Å | ||
| 1348 | C | 73.9 | Confident | 76.6 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.1 | -174.8 | -52.6 | 0 | 0 | 0 | 0 | 110.6 | F1342 N1394 L1395 I1397 | F1342-C1348 HydrophobicContact CE1-CB 4.27Å; F1342-C1348 WeakPolarHBondContact CE1-SG 3.38Å; C1348-N1394 PolarHBondContact O-OD1 3.2Å; C1348-L1395 HydrophobicContact CB-CB 4.08Å; C1348-L1395 WeakPolarHBondContact O-CB 3.16Å; C1348-L1395 PolarHBondContact O-N 2.92Å; C1348-I1397 HydrophobicContact CB-CB 4.34Å; C1348-I1397 HydrophobicContact CB-CD1 4.07Å |
| 1349 | E | 82.4 | Confident | 75.2 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.5 | -174.5 | -66.2 | 176.5 | 119 | 0 | 0 | 113 | C1341 T1343 K1351 T1392 | C1341-E1349 PolarHBondContact N-O 3.41Å; C1341-E1349 PolarHBondContact O-N 3.46Å; T1343-E1349 HydrophobicContact CG2-CG 4.3Å; T1343-E1349 WeakPolarHBondContact CG2-OE2 3.43Å; E1349-K1351 HydrophobicContact CB-CG 4.29Å; E1349-K1351 IonicContact OE1-NZ 3.25Å; E1349-K1351 WeakPolarHBondContact OE2-CE 3.3Å; E1349-K1351 IonicContact OE2-NZ 3.43Å; E1349-K1351 PolarHBondContact OE2-NZ 3.03Å; E1349-T1392 HydrophobicContact CB-CG2 3.9Å; E1349-T1392 HydrophobicContact CG-CG2 3.95Å; E1349-T1392 VanDerWaalsContact OE1-CG2 3.25Å; E1349-T1392 WeakPolarHBondContact OE1-CG2 3.44Å |
| 1350 | L | 84.1 | Confident | 73.6 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 103.8 | 161.1 | -69.6 | 174.7 | 0 | 0 | 0 | 109.4 | I1338 C1339 F1340 F1352 I1393 L1395 Y1419 | I1338-L1350 HydrophobicContact CG2-CB 4.18Å; I1338-L1350 HydrophobicContact CG2-CD2 3.8Å; I1338-L1350 HydrophobicContact CG2-CG 4.45Å; C1339-L1350 CarbonylContact O-C 3.09Å; C1339-L1350 WeakPolarHBondContact O-CA 3.3Å; F1340-L1350 HydrophobicContact CB-CD2 4.15Å; F1340-L1350 HydrophobicContact CD2-CD2 3.9Å; L1350-F1352 HydrophobicContact CB-CE2 3.93Å; L1350-F1352 WeakPolarHBondContact O-CD2 3.28Å; L1350-I1393 HydrophobicContact CB-CB 4.34Å; L1350-I1393 PolarHBondContact N-O 3.33Å; L1350-I1393 PolarHBondContact O-N 3.3Å; L1350-L1395 HydrophobicContact CD1-CD1 4.07Å; L1350-L1395 HydrophobicContact CD1-CD2 3.98Å; L1350-L1395 HydrophobicContact CD1-CG 4.27Å; L1350-L1395 HydrophobicContact CD2-CD1 4.37Å; L1350-L1395 HydrophobicContact CG-CD1 3.75Å; L1350-L1395 HydrophobicContact CG-CD2 4.35Å; L1350-L1395 HydrophobicContact CG-CG 4.09Å; L1350-Y1419 HydrophobicContact CD2-CE1 4.43Å; L1350-Y1419 HydrophobicContact CD2-CE2 4.14Å |
| 1351 | K | 84.7 | Confident | 71.8 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.7 | 179.4 | -78.2 | 173.6 | 166 | 150.9 | 0 | 111.1 | F1324 I1338 C1339 C1341 E1349 Y1353 L1389 T1392 | F1324-K1351 HydrophobicContact CE2-CD 4.46Å; I1338-K1351 CarbonylContact C-O 3.52Å; I1338-K1351 WeakPolarHBondContact CA-O 3.49Å; C1339-K1351 HydrophobicContact CB-CB 4.38Å; C1339-K1351 PolarHBondContact N-O 3.49Å; C1339-K1351 PolarHBondContact O-N 3.47Å; C1341-K1351 HydrophobicContact CB-CD 4.31Å; E1349-K1351 HydrophobicContact CB-CG 4.29Å; E1349-K1351 IonicContact OE1-NZ 3.25Å; E1349-K1351 WeakPolarHBondContact OE2-CE 3.3Å; E1349-K1351 IonicContact OE2-NZ 3.43Å; E1349-K1351 PolarHBondContact OE2-NZ 3.03Å; K1351-Y1353 HydrophobicContact CB-CD2 4.22Å; K1351-Y1353 HydrophobicContact CB-CE2 3.54Å; K1351-L1389 HydrophobicContact CB-CD1 3.73Å; K1351-L1389 HydrophobicContact CD-CD1 4.43Å; K1351-L1389 HydrophobicContact CG-CD1 3.92Å; K1351-T1392 HydrophobicContact CG-CG2 3.79Å |
| 1352 | F | 85.5 | Confident | 69.8 | Low | 24 Ų | 24 | 72.4 Ų | 72.4 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 108 | -179.8 | -66 | -111.7 | 0 | 0 | 0 | 109.1 | I1337 I1338 L1350 K1390 N1391 I1393 W1435 | I1337-F1352 CarbonylContact O-C 3.56Å; I1337-F1352 WeakPolarHBondContact O-CA 3.32Å; I1338-F1352 HydrophobicContact CD1-CD1 4.05Å; I1338-F1352 HydrophobicContact CD1-CE1 3.44Å; I1338-F1352 VanDerWaalsContact CD1-CE1 3.44Å; I1338-F1352 HydrophobicContact CD1-CZ 3.91Å; I1338-F1352 HydrophobicContact CG1-CD1 3.75Å; I1338-F1352 HydrophobicContact CG1-CE1 3.67Å; I1338-F1352 HydrophobicContact CG1-CG 4.4Å; I1338-F1352 HydrophobicContact CG1-CZ 4.24Å; I1338-F1352 HydrophobicContact CG2-CE2 4.39Å; I1338-F1352 HydrophobicContact CG2-CZ 4.33Å; L1350-F1352 HydrophobicContact CB-CE2 3.93Å; L1350-F1352 WeakPolarHBondContact O-CD2 3.28Å; F1352-K1390 WeakPolarHBondContact O-CA 3.32Å; F1352-K1390 PolarHBondContact O-N 3.42Å; F1352-N1391 HydrophobicContact CB-CB 4.13Å; F1352-N1391 PolarHBondContact N-O 3.38Å; F1352-N1391 PolarHBondContact O-N 3.31Å; F1352-N1391 VanDerWaalsContact O-N 3.13Å; F1352-I1393 HydrophobicContact CD2-CD1 4.5Å; F1352-I1393 HydrophobicContact CD2-CG1 4.37Å; F1352-I1393 HydrophobicContact CE2-CB 4.27Å; F1352-I1393 HydrophobicContact CE2-CD1 3.54Å; F1352-I1393 HydrophobicContact CE2-CG1 3.75Å; F1352-I1393 HydrophobicContact CZ-CD1 3.8Å; F1352-I1393 HydrophobicContact CZ-CG1 4.49Å; F1352-W1435 HydrophobicContact CE1-CZ2 4.2Å; F1352-W1435 HydrophobicContact CZ-CH2 4.12Å; F1352-W1435 AromaticContact CZ-CZ2 3.95Å; F1352-W1435 HydrophobicContact CZ-CZ2 3.95Å |
| 1353 | Y | 84.3 | Confident | 68 | Low | 15 Ų | 15 | 77 Ų | 77 | 6% | 0.059 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 139.2 | 177 | -64.7 | -102 | 0 | 0 | 0 | 111.5 | I1318 Y1336 I1337 C1339 K1351 Y1388 L1389 | I1318-Y1353 HydrophobicContact CD1-CD2 4.42Å; I1318-Y1353 HydrophobicContact CG2-CD1 4.36Å; I1318-Y1353 HydrophobicContact CG2-CE1 3.85Å; I1318-Y1353 HydrophobicContact CG2-CE2 4.08Å; Y1336-Y1353 WeakPolarHBondContact CA-O 3.5Å; I1337-Y1353 PolarHBondContact N-O 3.49Å; I1337-Y1353 PolarHBondContact O-N 3.3Å; C1339-Y1353 HydrophobicContact CB-CD2 4.48Å; C1339-Y1353 HydrophobicContact CB-CE2 4.09Å; C1339-Y1353 VanDerWaalsContact SG-CD2 3.54Å; C1339-Y1353 VanDerWaalsContact SG-CE2 3.56Å; K1351-Y1353 HydrophobicContact CB-CD2 4.22Å; K1351-Y1353 HydrophobicContact CB-CE2 3.54Å; Y1353-Y1388 CarbonylContact C-O 3.5Å; Y1353-Y1388 WeakPolarHBondContact CA-O 3.06Å; Y1353-L1389 HydrophobicContact CD1-CB 4.03Å; Y1353-L1389 HydrophobicContact CD1-CD1 4.38Å; Y1353-L1389 HydrophobicContact CD2-CD1 4.3Å; Y1353-L1389 HydrophobicContact CE1-CB 3.86Å; Y1353-L1389 HydrophobicContact CE1-CD1 4.15Å; Y1353-L1389 HydrophobicContact CE2-CD1 4.07Å; Y1353-L1389 HydrophobicContact CG-CD1 4.45Å |
| 1354 | E | 83.3 | Confident | 66.4 | Low | 50 Ų | 50 | 82.2 Ų | 82.2 | 23% | 0.234 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.3 | 170.1 | -167.8 | 167.1 | -94.5 | 0 | 0 | 109.9 | Y1336 K1356 Y1388 K1390 | Y1336-E1354 HydrophobicContact CD1-CB 4.24Å; Y1336-E1354 HydrophobicContact CE1-CB 3.77Å; Y1336-E1354 HydrophobicContact CE1-CG 3.74Å; Y1336-E1354 VanDerWaalsContact CE1-OE1 3.29Å; Y1336-E1354 WeakPolarHBondContact CE1-OE1 3.17Å; Y1336-E1354 PolarHBondContact OH-OE1 3.12Å; E1354-K1356 VanDerWaalsContact OE2-CE 3.24Å; E1354-K1356 WeakPolarHBondContact OE2-CE 3.28Å; E1354-K1356 IonicContact OE2-NZ 3.21Å; E1354-K1356 PolarHBondContact OE2-NZ 2.83Å; E1354-Y1388 PolarHBondContact N-O 3.42Å; E1354-Y1388 PolarHBondContact O-N 3.23Å; E1354-K1390 HydrophobicContact CB-CB 4.23Å |
| 1355 | I | 76.5 | Confident | 65.4 | Low | 34 Ų | 34 | 85.1 Ų | 85.1 | 17% | 0.174 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.4 | -176.6 | -55.3 | 165.6 | 0 | 0 | 0 | 109.9 | I1316 K1331 N1335 I1337 Y1385 | I1316-I1355 HydrophobicContact CD1-CD1 3.83Å; I1316-I1355 HydrophobicContact CD1-CG1 4.45Å; I1316-I1355 HydrophobicContact CG1-CD1 4.38Å; I1316-I1355 HydrophobicContact CG1-CG2 4Å; I1316-I1355 HydrophobicContact CG2-CG1 4.44Å; I1316-I1355 HydrophobicContact CG2-CG2 4.46Å; K1331-I1355 HydrophobicContact CD-CD1 3.95Å; N1335-I1355 WeakPolarHBondContact O-CD1 3.44Å; I1337-I1355 HydrophobicContact CD1-CD1 3.87Å; I1337-I1355 HydrophobicContact CD1-CG1 3.67Å; I1337-I1355 HydrophobicContact CG1-CD1 3.94Å; I1337-I1355 HydrophobicContact CG1-CG1 4.02Å; I1355-Y1385 HydrophobicContact CG2-CD1 3.7Å; I1355-Y1385 HydrophobicContact CG2-CG 4.02Å |
| 1356 | K | 73.5 | Confident | 64.3 | Low | 104 Ų | 104 | 81 Ų | 81 | 45% | 0.452 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.7 | 170.3 | -72 | 173.4 | -178 | 147.2 | 0 | 111.2 | E1354 E1386 Y1388 | E1354-K1356 VanDerWaalsContact OE2-CE 3.24Å; E1354-K1356 WeakPolarHBondContact OE2-CE 3.28Å; E1354-K1356 IonicContact OE2-NZ 3.21Å; E1354-K1356 PolarHBondContact OE2-NZ 2.83Å; K1356-E1386 PolarHBondContact N-O 3.45Å; K1356-E1386 PolarHBondContact O-N 3.15Å; K1356-E1386 VanDerWaalsContact O-O 3.14Å; K1356-Y1388 HydrophobicContact CB-CD2 3.93Å; K1356-Y1388 HydrophobicContact CB-CE2 3.87Å; K1356-Y1388 HydrophobicContact CD-CD2 4.15Å; K1356-Y1388 HydrophobicContact CG-CD2 4.34Å |
| 1357 | Q | 68.2 | Low | 63.4 | Low | 123 Ų | 123 | 80.8 Ų | 80.8 | 58% | 0.575 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 135.7 | 177.6 | -164.7 | 173.1 | -0.6 | 0 | 0 | 109.9 | N1359 Y1385 | Q1357-N1359 PolarHBondContact O-N 3.24Å; Q1357-Y1385 HydrophobicContact CB-CD1 3.91Å; Q1357-Y1385 HydrophobicContact CB-CE1 3.7Å; Q1357-Y1385 HydrophobicContact CG-CD1 4.31Å; Q1357-Y1385 HydrophobicContact CG-CE1 3.94Å |
| 1358 | K | 58.4 | Low | 62.2 | Low | 95 Ų | 95 | 80.4 Ų | 80.4 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | trans | -77.9 | 111.6 | -177.4 | -170.7 | 173.4 | -172.9 | 147.9 | 0 | 110.4 | E1360 E1386 | K1358-E1360 PolarHBondContact O-N 3.08Å; K1358-E1386 HydrophobicContact CB-CG 4.27Å; K1358-E1386 HydrophobicContact CD-CG 4.01Å; K1358-E1386 WeakPolarHBondContact CD-OE1 3.47Å; K1358-E1386 WeakPolarHBondContact CE-OE1 3.11Å; K1358-E1386 HydrophobicContact CG-CG 4.31Å; K1358-E1386 IonicContact NZ-OE1 2.7Å; K1358-E1386 PolarHBondContact NZ-OE1 2.81Å | ||
| 1359 | N | 52.7 | Low | 61 | Low | 150 Ų | 150 | 85.4 Ų | 85.4 | 80% | 0.802 | 45% | 0.452 | S | S | * | . | trans | -65.5 | 128.5 | 178.7 | -76 | -22.8 | 0 | 0 | 0 | 111.4 | Q1357 G1361 | Q1357-N1359 PolarHBondContact O-N 3.24Å; N1359-G1361 PolarHBondContact O-N 3.05Å | ||
| 1360 | E | 51.6 | Low | 59.5 | Low | 172 Ų | 172 | 89.3 Ų | 89.3 | 80% | 0.804 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -0.1 | -169.6 | -56.4 | 180 | 133 | 0 | 0 | 115.5 | K1358 L1363 | K1358-E1360 PolarHBondContact O-N 3.08Å; E1360-L1363 WeakPolarHBondContact O-CD1 3.42Å; E1360-L1363 WeakPolarHBondContact O-CG 3.28Å |
| 1361 | G | 45.4 | Very low | 57.9 | Low | 70 Ų | 70 | 90.9 Ų | 90.9 | 72% | 0.722 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | N1359 | N1359-G1361 PolarHBondContact O-N 3.05Š|
| 1362 | N | 41.5 | Very low | 56.3 | Low | 159 Ų | 159 | 95 Ų | 95 | 85% | 0.85 | 50% | 0.504 | S | S | * | . | trans | -130.5 | 62.4 | -176 | -84.2 | -28.3 | 0 | 0 | 0 | 111.6 | N1364 | N1362-N1364 PolarHBondContact O-N 3.11Š| ||
| 1363 | L | 38.4 | Very low | 54.7 | Low | 111 Ų | 111 | 96.3 Ų | 96.3 | 58% | 0.581 | 52% | 0.524 | S | S | * | . | trans | -79.5 | 81 | -177.9 | -68.4 | 164.1 | 0 | 0 | 0 | 112.2 | E1360 E1365 L1368 | E1360-L1363 WeakPolarHBondContact O-CD1 3.42Å; E1360-L1363 WeakPolarHBondContact O-CG 3.28Å; L1363-E1365 PolarHBondContact O-N 3.34Å; L1363-E1365 VanDerWaalsContact O-N 3.09Å; L1363-L1368 HydrophobicContact CD2-CD1 3.79Å | ||
| 1364 | N | 40.4 | Very low | 53.3 | Low | 129 Ų | 129 | 96 Ų | 96 | 69% | 0.69 | 52% | 0.524 | S | S | * | . | trans | -66.6 | 104 | 162.1 | -79.2 | -9.9 | 0 | 0 | 0 | 109.2 | N1362 A1366 N1367 | N1362-N1364 PolarHBondContact O-N 3.11Å; N1364-A1366 PolarHBondContact O-N 2.86Å; N1364-N1367 PolarHBondContact O-N 3.11Å | ||
| 1365 | E | 46 | Very low | 52.2 | Low | 153 Ų | 153 | 101.3 Ų | 101.3 | 72% | 0.715 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -51.9 | -31.5 | -174.2 | -63.7 | -176.8 | 128.1 | 0 | 0 | 113.7 | L1363 N1367 L1368 N1369 | L1363-E1365 PolarHBondContact O-N 3.34Å; L1363-E1365 VanDerWaalsContact O-N 3.09Å; E1365-N1367 PolarHBondContact O-N 2.91Å; E1365-N1367 VanDerWaalsContact O-N 3.16Å; E1365-L1368 PolarHBondContact O-N 2.7Å; E1365-L1368 VanDerWaalsContact O-N 3.16Å; E1365-N1369 WeakPolarHBondContact O-CB 3.18Å; E1365-N1369 PolarHBondContact O-N 3.32Å; E1365-N1369 PolarHBondContact O-ND2 3.45Å |
| 1366 | A | 45.6 | Very low | 51.6 | Low | 69 Ų | 69 | 101.2 Ų | 101.2 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -48.9 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1364 L1370 | N1364-A1366 PolarHBondContact O-N 2.86Å; A1366-L1370 PolarHBondContact O-N 2.89Å |
| 1367 | N | 44 | Very low | 51.5 | Low | 103 Ų | 103 | 97.1 Ų | 97.1 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -85.6 | -23.4 | -175.6 | -70.3 | 16.8 | 0 | 0 | 0 | 113.1 | N1364 E1365 L1370 | N1364-N1367 PolarHBondContact O-N 3.11Å; E1365-N1367 PolarHBondContact O-N 2.91Å; E1365-N1367 VanDerWaalsContact O-N 3.16Å; N1367-L1370 WeakPolarHBondContact O-CB 3.46Å; N1367-L1370 PolarHBondContact O-N 3.46Å |
| 1368 | L | 44.8 | Very low | 51.9 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 41% | 0.408 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -82.7 | -33.4 | 176.6 | -129.8 | 163.1 | 0 | 0 | 0 | 110.9 | L1363 E1365 L1370 L1371 N1372 | L1363-L1368 HydrophobicContact CD2-CD1 3.79Å; E1365-L1368 PolarHBondContact O-N 2.7Å; E1365-L1368 VanDerWaalsContact O-N 3.16Å; L1368-L1370 PolarHBondContact O-N 2.79Å; L1368-L1371 PolarHBondContact O-N 3.17Å; L1368-N1372 VanDerWaalsContact CD2-ND2 3.31Å; L1368-N1372 WeakPolarHBondContact CD2-ND2 3.49Å; L1368-N1372 PolarHBondContact O-N 3.42Å; L1368-N1372 VanDerWaalsContact O-N 3.15Å; L1368-N1372 PolarHBondContact O-ND2 2.89Å |
| 1369 | N | 49.4 | Very low | 52.5 | Low | 106 Ų | 106 | 91 Ų | 91 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.1 | -25.4 | 166.3 | -69.4 | -22.7 | 0 | 0 | 0 | 112.4 | E1365 G1373 | E1365-N1369 WeakPolarHBondContact O-CB 3.18Å; E1365-N1369 PolarHBondContact O-N 3.32Å; E1365-N1369 PolarHBondContact O-ND2 3.45Å; N1369-G1373 WeakPolarHBondContact O-CA 3.48Å; N1369-G1373 PolarHBondContact O-N 2.94Å |
| 1370 | L | 50.1 | Low | 53.1 | Low | 110 Ų | 110 | 90.9 Ų | 90.9 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.2 | -31.5 | -179.8 | -157.5 | 147.6 | 0 | 0 | 0 | 113 | A1366 N1367 L1368 I1374 | A1366-L1370 PolarHBondContact O-N 2.89Å; N1367-L1370 WeakPolarHBondContact O-CB 3.46Å; N1367-L1370 PolarHBondContact O-N 3.46Å; L1368-L1370 PolarHBondContact O-N 2.79Å; L1370-I1374 WeakPolarHBondContact O-CD1 3.32Å; L1370-I1374 VanDerWaalsContact O-CG1 3.27Å; L1370-I1374 WeakPolarHBondContact O-CG1 3.31Å |
| 1371 | L | 51.5 | Low | 53.7 | Low | 36 Ų | 36 | 86 Ų | 86 | 19% | 0.188 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -86.7 | -41.2 | 171.8 | -77.5 | 169.6 | 0 | 0 | 0 | 112.8 | F1306 L1368 G1373 I1374 I1384 | F1306-L1371 HydrophobicContact CE1-CD2 3.95Å; F1306-L1371 HydrophobicContact CZ-CD2 4.24Å; L1368-L1371 PolarHBondContact O-N 3.17Å; L1371-G1373 VanDerWaalsContact C-N 3.33Å; L1371-G1373 PolarHBondContact O-N 2.86Å; L1371-I1374 HydrophobicContact CD2-CD1 4.3Å; L1371-I1384 HydrophobicContact CD1-CD1 4.42Å |
| 1372 | N | 50.2 | Low | 55 | Low | 104 Ų | 104 | 83.7 Ų | 83.7 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -76.8 | -16.5 | -178.9 | -71.8 | -31.8 | 0 | 0 | 0 | 114 | L1368 I1374 | L1368-N1372 VanDerWaalsContact CD2-ND2 3.31Å; L1368-N1372 WeakPolarHBondContact CD2-ND2 3.49Å; L1368-N1372 PolarHBondContact O-N 3.42Å; L1368-N1372 VanDerWaalsContact O-N 3.15Å; L1368-N1372 PolarHBondContact O-ND2 2.89Å; N1372-I1374 VanDerWaalsContact C-N 3.33Å |
| 1373 | G | 51.8 | Low | 56.4 | Low | 51 Ų | 51 | 80 Ų | 80 | 53% | 0.526 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1369 L1371 N1375 | N1369-G1373 WeakPolarHBondContact O-CA 3.48Å; N1369-G1373 PolarHBondContact O-N 2.94Å; L1371-G1373 VanDerWaalsContact C-N 3.33Å; L1371-G1373 PolarHBondContact O-N 2.86Å; G1373-N1375 PolarHBondContact O-N 3.2Å |
| 1374 | I | 55.7 | Low | 58.1 | Low | 9 Ų | 9 | 77.8 Ų | 77.8 | 5% | 0.046 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -82.7 | 97.1 | -177.1 | -52.2 | 168.5 | 0 | 0 | 0 | 109.1 | Y1280 Y1303 L1370 L1371 N1372 G1376 I1377 | Y1280-I1374 HydrophobicContact CE1-CG2 3.75Å; Y1280-I1374 WeakPolarHBondContact OH-CG2 3.3Å; Y1303-I1374 HydrophobicContact CD1-CD1 3.48Å; Y1303-I1374 VanDerWaalsContact CD1-CD1 3.48Å; Y1303-I1374 HydrophobicContact CD1-CG1 4.19Å; Y1303-I1374 HydrophobicContact CD2-CD1 4.5Å; Y1303-I1374 HydrophobicContact CE1-CD1 3.49Å; Y1303-I1374 VanDerWaalsContact CE1-CD1 3.49Å; Y1303-I1374 HydrophobicContact CE1-CG1 3.65Å; Y1303-I1374 HydrophobicContact CE1-CG2 4.24Å; Y1303-I1374 HydrophobicContact CE2-CD1 4.5Å; Y1303-I1374 HydrophobicContact CE2-CG2 3.8Å; Y1303-I1374 HydrophobicContact CG-CD1 4.02Å; L1370-I1374 WeakPolarHBondContact O-CD1 3.32Å; L1370-I1374 VanDerWaalsContact O-CG1 3.27Å; L1370-I1374 WeakPolarHBondContact O-CG1 3.31Å; L1371-I1374 HydrophobicContact CD2-CD1 4.3Å; N1372-I1374 VanDerWaalsContact C-N 3.33Å; I1374-G1376 VanDerWaalsContact C-N 3.32Å; I1374-G1376 PolarHBondContact O-N 3.14Å; I1374-I1377 HydrophobicContact CB-CB 4.44Å; I1374-I1377 HydrophobicContact CB-CD1 4.29Å; I1374-I1377 HydrophobicContact CB-CG1 4.48Å; I1374-I1377 HydrophobicContact CD1-CD1 4.27Å; I1374-I1377 HydrophobicContact CG2-CB 4.32Å; I1374-I1377 HydrophobicContact CG2-CD1 3.58Å; I1374-I1377 HydrophobicContact CG2-CG1 3.84Å; I1374-I1377 PolarHBondContact O-N 3.32Å; I1374-I1377 VanDerWaalsContact O-N 3.13Å |
| 1375 | N | 60.1 | Low | 59.7 | Low | 162 Ų | 162 | 73.7 Ų | 73.7 | 87% | 0.866 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 76.5 | -171.8 | -86.6 | -26.5 | 0 | 0 | 0 | 114.9 | Y1280 G1373 | Y1280-N1375 PolarHBondContact OH-O 3.1Å; Y1280-N1375 VanDerWaalsContact OH-O 3.1Å; G1373-N1375 PolarHBondContact O-N 3.2Å |
| 1376 | G | 63.7 | Low | 61 | Low | 31 Ų | 31 | 69 Ų | 69 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 142.6 | -3.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | N1278 Y1280 I1374 | N1278-G1376 PolarHBondContact N-O 3.35Å; N1278-G1376 VanDerWaalsContact N-O 3.13Å; Y1280-G1376 VanDerWaalsContact CE2-C 3.49Å; Y1280-G1376 PolarHBondContact OH-N 3.43Å; I1374-G1376 VanDerWaalsContact C-N 3.32Å; I1374-G1376 PolarHBondContact O-N 3.14Å |
| 1377 | I | 72.8 | Confident | 62.3 | Low | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -99.9 | 134.7 | 167.1 | -57 | -179.8 | 0 | 0 | 0 | 108.6 | Y1280 L1300 I1374 F1379 | Y1280-I1377 HydrophobicContact CD1-CD1 4.25Å; Y1280-I1377 HydrophobicContact CD1-CG1 4.37Å; Y1280-I1377 HydrophobicContact CD2-CG1 4.03Å; Y1280-I1377 HydrophobicContact CE1-CD1 4.08Å; Y1280-I1377 HydrophobicContact CE1-CG1 4.05Å; Y1280-I1377 HydrophobicContact CE2-CG1 3.7Å; Y1280-I1377 HydrophobicContact CG-CG1 4.37Å; L1300-I1377 HydrophobicContact CD1-CD1 3.45Å; L1300-I1377 VanDerWaalsContact CD1-CD1 3.45Å; L1300-I1377 HydrophobicContact CD1-CG1 4.36Å; I1374-I1377 HydrophobicContact CB-CB 4.44Å; I1374-I1377 HydrophobicContact CB-CD1 4.29Å; I1374-I1377 HydrophobicContact CB-CG1 4.48Å; I1374-I1377 HydrophobicContact CD1-CD1 4.27Å; I1374-I1377 HydrophobicContact CG2-CB 4.32Å; I1374-I1377 HydrophobicContact CG2-CD1 3.58Å; I1374-I1377 HydrophobicContact CG2-CG1 3.84Å; I1374-I1377 PolarHBondContact O-N 3.32Å; I1374-I1377 VanDerWaalsContact O-N 3.13Å; I1377-F1379 HydrophobicContact CG2-CD2 3.59Å; I1377-F1379 HydrophobicContact CG2-CE1 4.34Å; I1377-F1379 HydrophobicContact CG2-CE2 3.27Å; I1377-F1379 HydrophobicContact CG2-CG 4.26Å; I1377-F1379 HydrophobicContact CG2-CZ 3.69Å |
| 1378 | N | 75.2 | Confident | 63.9 | Low | 65 Ų | 65 | 67.3 Ų | 67.3 | 35% | 0.348 | 38% | 0.375 | S | S | . | . | trans | -138.9 | 81.5 | -176 | -168.2 | -19.6 | 0 | 0 | 0 | 112.5 | Q1274 I1276 H1380 | Q1274-N1378 PolarHBondContact NE2-ND2 3.47Å; Q1274-N1378 VanDerWaalsContact NE2-ND2 3.17Å; I1276-N1378 PolarHBondContact O-N 2.92Å; N1378-H1380 PolarHBondContact O-N 3.42Å; N1378-H1380 WeakPolarHBondContact OD1-CB 3.27Å; N1378-H1380 PolarHBondContact OD1-N 2.92Å | ||
| 1379 | F | 72.6 | Confident | 65.6 | Low | 25 Ų | 25 | 67.7 Ų | 67.7 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | trans | -86.4 | 21.7 | 171.6 | -58.8 | -54 | 0 | 0 | 0 | 113.3 | I1276 F1298 F1306 I1308 V1315 I1377 G1381 F1382 | I1276-F1379 HydrophobicContact CG2-CD1 3.86Å; I1276-F1379 HydrophobicContact CG2-CE1 3.87Å; F1298-F1379 HydrophobicContact CZ-CE1 4.49Å; F1298-F1379 HydrophobicContact CZ-CZ 4.25Å; F1306-F1379 HydrophobicContact CB-CZ 4.48Å; F1306-F1379 AromaticContact CD1-CE2 3.53Å; F1306-F1379 HydrophobicContact CD1-CE2 3.53Å; F1306-F1379 AromaticContact CD1-CZ 3.76Å; F1306-F1379 HydrophobicContact CD1-CZ 3.76Å; F1306-F1379 HydrophobicContact CE1-CD2 4.43Å; F1306-F1379 AromaticContact CE1-CE2 3.54Å; F1306-F1379 HydrophobicContact CE1-CE2 3.54Å; F1306-F1379 HydrophobicContact CE1-CZ 4.19Å; F1306-F1379 HydrophobicContact CG-CE2 4.32Å; F1306-F1379 HydrophobicContact CG-CZ 4.16Å; F1306-F1379 HydrophobicContact CZ-CE2 4.33Å; I1308-F1379 HydrophobicContact CD1-CE1 4.03Å; V1315-F1379 HydrophobicContact CG2-CD1 3.88Å; V1315-F1379 HydrophobicContact CG2-CE1 4.3Å; V1315-F1379 HydrophobicContact CG2-CG 4.27Å; I1377-F1379 HydrophobicContact CG2-CD2 3.59Å; I1377-F1379 HydrophobicContact CG2-CE1 4.34Å; I1377-F1379 HydrophobicContact CG2-CE2 3.27Å; I1377-F1379 HydrophobicContact CG2-CG 4.26Å; I1377-F1379 HydrophobicContact CG2-CZ 3.69Å; F1379-G1381 PolarHBondContact O-N 3.29Å; F1379-G1381 VanDerWaalsContact O-N 3.09Å; F1379-F1382 PolarHBondContact O-N 3.28Å; F1379-F1382 VanDerWaalsContact O-N 3.1Å | ||
| 1380 | H | 63.5 | Low | 67 | Low | 146 Ų | 146 | 68.5 Ų | 68.5 | 68% | 0.676 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 114.8 | -174.2 | -170.1 | 72.3 | 0 | 0 | 0 | 112 | N1378 | N1378-H1380 PolarHBondContact O-N 3.42Å; N1378-H1380 WeakPolarHBondContact OD1-CB 3.27Å; N1378-H1380 PolarHBondContact OD1-N 2.92Å |
| 1381 | G | 65 | Low | 68.4 | Low | 70 Ų | 70 | 67.4 Ų | 67.4 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | 7.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F1379 | F1379-G1381 PolarHBondContact O-N 3.29Å; F1379-G1381 VanDerWaalsContact O-N 3.09Å |
| 1382 | F | 73.3 | Confident | 69.8 | Low | 21 Ų | 21 | 68 Ų | 68 | 9% | 0.092 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 147 | 168.5 | -72.6 | -106.6 | 0 | 0 | 0 | 111.2 | W1256 I1276 I1308 H1313 V1315 F1379 | W1256-F1382 AromaticContact CH2-CE1 3.84Å; W1256-F1382 HydrophobicContact CH2-CE1 3.84Å; W1256-F1382 AromaticContact CH2-CZ 3.56Å; W1256-F1382 HydrophobicContact CH2-CZ 3.56Å; W1256-F1382 AromaticContact CZ2-CE1 3.88Å; W1256-F1382 HydrophobicContact CZ2-CE1 3.88Å; W1256-F1382 AromaticContact CZ2-CZ 3.82Å; W1256-F1382 HydrophobicContact CZ2-CZ 3.82Å; I1276-F1382 HydrophobicContact CD1-CE2 4.36Å; I1308-F1382 HydrophobicContact CG2-CD1 4.15Å; I1308-F1382 HydrophobicContact CG2-CE1 3.7Å; H1313-F1382 HydrophobicContact CB-CD1 4.21Å; H1313-F1382 HydrophobicContact CB-CE1 4.28Å; H1313-F1382 AromaticContact ND1-CD1 3.99Å; H1313-F1382 AromaticContact ND1-CE1 3.24Å; H1313-F1382 WeakPolarHBondContact ND1-CE1 3.28Å; H1313-F1382 AromaticContact ND1-CZ 3.42Å; H1313-F1382 WeakPolarHBondContact ND1-CZ 3.37Å; H1313-F1382 VanDerWaalsContact O-CA 3.24Å; H1313-F1382 WeakPolarHBondContact O-CA 3.34Å; H1313-F1382 WeakPolarHBondContact O-CB 3.43Å; H1313-F1382 VanDerWaalsContact O-CD1 3.23Å; H1313-F1382 WeakPolarHBondContact O-CD1 3.01Å; V1315-F1382 HydrophobicContact CB-CB 4.42Å; V1315-F1382 HydrophobicContact CG2-CB 3.69Å; V1315-F1382 HydrophobicContact CG2-CD1 3.69Å; V1315-F1382 HydrophobicContact CG2-CG 3.83Å; F1379-F1382 PolarHBondContact O-N 3.28Å; F1379-F1382 VanDerWaalsContact O-N 3.1Å |
| 1383 | I | 71.2 | Confident | 71.1 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 120 | 176.7 | -54.9 | 174.6 | 0 | 0 | 0 | 109 | H1313 S1314 V1315 Y1385 | H1313-I1383 PolarHBondContact O-N 3.46Å; S1314-I1383 CarbonylContact C-O 3.53Å; S1314-I1383 VanDerWaalsContact CA-O 3.25Å; S1314-I1383 WeakPolarHBondContact CA-O 3.38Å; V1315-I1383 PolarHBondContact N-O 2.81Å; I1383-Y1385 HydrophobicContact CB-CE2 3.95Å; I1383-Y1385 HydrophobicContact CG2-CD2 4.06Å; I1383-Y1385 HydrophobicContact CG2-CE2 3.4Å; I1383-Y1385 WeakPolarHBondContact O-CD2 3.15Å |
| 1384 | I | 72.8 | Confident | 72.3 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 33% | 0.333 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.2 | -176.2 | -56.1 | 176.1 | 0 | 0 | 0 | 111 | V1315 L1371 | V1315-I1384 WeakPolarHBondContact O-CA 3.27Å; L1371-I1384 HydrophobicContact CD1-CD1 4.42Å |
| 1385 | Y | 74.1 | Confident | 73 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 17% | 0.165 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.9 | 174.8 | -70.9 | -105.7 | 0 | 0 | 0 | 110.9 | S1314 V1315 I1316 F1317 I1355 Q1357 I1383 | S1314-Y1385 VanDerWaalsContact CB-CE2 3.47Å; V1315-Y1385 PolarHBondContact O-N 3.49Å; I1316-Y1385 HydrophobicContact CG1-CG 4.45Å; F1317-Y1385 PolarHBondContact N-O 2.81Å; I1355-Y1385 HydrophobicContact CG2-CD1 3.7Å; I1355-Y1385 HydrophobicContact CG2-CG 4.02Å; Q1357-Y1385 HydrophobicContact CB-CD1 3.91Å; Q1357-Y1385 HydrophobicContact CB-CE1 3.7Å; Q1357-Y1385 HydrophobicContact CG-CD1 4.31Å; Q1357-Y1385 HydrophobicContact CG-CE1 3.94Å; I1383-Y1385 HydrophobicContact CB-CE2 3.95Å; I1383-Y1385 HydrophobicContact CG2-CD2 4.06Å; I1383-Y1385 HydrophobicContact CG2-CE2 3.4Å; I1383-Y1385 WeakPolarHBondContact O-CD2 3.15Å |
| 1386 | E | 73.2 | Confident | 73 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 136.3 | 173 | -75.6 | -176.7 | 158.4 | 0 | 0 | 111.1 | K1356 K1358 Y1388 | K1356-E1386 PolarHBondContact N-O 3.45Å; K1356-E1386 PolarHBondContact O-N 3.15Å; K1356-E1386 VanDerWaalsContact O-O 3.14Å; K1358-E1386 HydrophobicContact CB-CG 4.27Å; K1358-E1386 HydrophobicContact CD-CG 4.01Å; K1358-E1386 WeakPolarHBondContact CD-OE1 3.47Å; K1358-E1386 WeakPolarHBondContact CE-OE1 3.11Å; K1358-E1386 HydrophobicContact CG-CG 4.31Å; K1358-E1386 IonicContact NZ-OE1 2.7Å; K1358-E1386 PolarHBondContact NZ-OE1 2.81Å; E1386-Y1388 HydrophobicContact CB-CD2 4.43Å; E1386-Y1388 HydrophobicContact CB-CE2 3.68Å; E1386-Y1388 PolarHBondContact OE2-OH 2.9Å |
| 1387 | S | 73.7 | Confident | 72.8 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120 | 173.3 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | F1317 | F1317-S1387 PolarHBondContact O-OG 3.28Å |
| 1388 | Y | 77.5 | Confident | 71.8 | Confident | 116 Ų | 116 | 71.2 Ų | 71.2 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.7 | 173.7 | -66.3 | -90.1 | 0 | 0 | 0 | 109.5 | Y1353 E1354 K1356 E1386 K1390 | Y1353-Y1388 CarbonylContact C-O 3.5Å; Y1353-Y1388 WeakPolarHBondContact CA-O 3.06Å; E1354-Y1388 PolarHBondContact N-O 3.42Å; E1354-Y1388 PolarHBondContact O-N 3.23Å; K1356-Y1388 HydrophobicContact CB-CD2 3.93Å; K1356-Y1388 HydrophobicContact CB-CE2 3.87Å; K1356-Y1388 HydrophobicContact CD-CD2 4.15Å; K1356-Y1388 HydrophobicContact CG-CD2 4.34Å; E1386-Y1388 HydrophobicContact CB-CD2 4.43Å; E1386-Y1388 HydrophobicContact CB-CE2 3.68Å; E1386-Y1388 PolarHBondContact OE2-OH 2.9Å; Y1388-K1390 PolarHBondContact O-N 3.31Å |
| 1389 | L | 80.4 | Confident | 70.8 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 45% | 0.45 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 118.9 | 179.1 | -177.6 | 62.9 | 0 | 0 | 0 | 109.7 | K1351 Y1353 N1391 | K1351-L1389 HydrophobicContact CB-CD1 3.73Å; K1351-L1389 HydrophobicContact CD-CD1 4.43Å; K1351-L1389 HydrophobicContact CG-CD1 3.92Å; Y1353-L1389 HydrophobicContact CD1-CB 4.03Å; Y1353-L1389 HydrophobicContact CD1-CD1 4.38Å; Y1353-L1389 HydrophobicContact CD2-CD1 4.3Å; Y1353-L1389 HydrophobicContact CE1-CB 3.86Å; Y1353-L1389 HydrophobicContact CE1-CD1 4.15Å; Y1353-L1389 HydrophobicContact CE2-CD1 4.07Å; Y1353-L1389 HydrophobicContact CG-CD1 4.45Å; L1389-N1391 WeakPolarHBondContact CD1-O 3.49Å |
| 1390 | K | 79.5 | Confident | 69.6 | Low | 122 Ų | 122 | 71.7 Ų | 71.7 | 53% | 0.53 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -41.1 | -179.1 | -176.4 | -173.6 | 174.4 | -164.6 | 0 | 112.2 | Y1336 F1352 E1354 Y1388 | Y1336-K1390 HydrophobicContact CD1-CD 4.19Å; Y1336-K1390 HydrophobicContact CE1-CD 3.36Å; Y1336-K1390 VanDerWaalsContact CZ-NZ 3.28Å; Y1336-K1390 PolarHBondContact OH-NZ 3.01Å; F1352-K1390 WeakPolarHBondContact O-CA 3.32Å; F1352-K1390 PolarHBondContact O-N 3.42Å; E1354-K1390 HydrophobicContact CB-CB 4.23Å; Y1388-K1390 PolarHBondContact O-N 3.31Å |
| 1391 | N | 79.6 | Confident | 68.9 | Low | 88 Ų | 88 | 70.1 Ų | 70.1 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 156.3 | 178.2 | -166.5 | 23.5 | 0 | 0 | 0 | 111 | F1352 L1389 | F1352-N1391 HydrophobicContact CB-CB 4.13Å; F1352-N1391 PolarHBondContact N-O 3.38Å; F1352-N1391 PolarHBondContact O-N 3.31Å; F1352-N1391 VanDerWaalsContact O-N 3.13Å; L1389-N1391 WeakPolarHBondContact CD1-O 3.49Å |
| 1392 | T | 80.7 | Confident | 68.2 | Low | 49 Ų | 49 | 70.6 Ų | 70.6 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 119.5 | 173.1 | -55.5 | 0 | 0 | 0 | 0 | 108.4 | E1349 K1351 | E1349-T1392 HydrophobicContact CB-CG2 3.9Å; E1349-T1392 HydrophobicContact CG-CG2 3.95Å; E1349-T1392 VanDerWaalsContact OE1-CG2 3.25Å; E1349-T1392 WeakPolarHBondContact OE1-CG2 3.44Å; K1351-T1392 HydrophobicContact CG-CG2 3.79Å |
| 1393 | I | 77.9 | Confident | 67.3 | Low | 51 Ų | 51 | 70 Ų | 70 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 110.5 | 171 | -58.4 | -178.3 | 0 | 0 | 0 | 106.7 | L1350 F1352 W1435 | L1350-I1393 HydrophobicContact CB-CB 4.34Å; L1350-I1393 PolarHBondContact N-O 3.33Å; L1350-I1393 PolarHBondContact O-N 3.3Å; F1352-I1393 HydrophobicContact CD2-CD1 4.5Å; F1352-I1393 HydrophobicContact CD2-CG1 4.37Å; F1352-I1393 HydrophobicContact CE2-CB 4.27Å; F1352-I1393 HydrophobicContact CE2-CD1 3.54Å; F1352-I1393 HydrophobicContact CE2-CG1 3.75Å; F1352-I1393 HydrophobicContact CZ-CD1 3.8Å; F1352-I1393 HydrophobicContact CZ-CG1 4.49Å; I1393-W1435 HydrophobicContact CD1-CH2 3.72Å; I1393-W1435 HydrophobicContact CD1-CZ3 3.85Å |
| 1394 | N | 76.5 | Confident | 66.3 | Low | 65 Ų | 65 | 70.3 Ų | 70.3 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.7 | 172.8 | -154.9 | -17.4 | 0 | 0 | 0 | 108.1 | E1347 C1348 | E1347-N1394 PolarHBondContact OE2-ND2 3.42Å; C1348-N1394 PolarHBondContact O-OD1 3.2Å |
| 1395 | L | 70.5 | Confident | 65.4 | Low | 11 Ų | 11 | 69.8 Ų | 69.8 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.4 | 176.1 | -65.3 | 175.7 | 0 | 0 | 0 | 107.4 | F1340 C1348 L1350 I1397 I1433 | F1340-L1395 HydrophobicContact CD2-CD1 4.01Å; F1340-L1395 HydrophobicContact CE2-CD1 3.68Å; C1348-L1395 HydrophobicContact CB-CB 4.08Å; C1348-L1395 WeakPolarHBondContact O-CB 3.16Å; C1348-L1395 PolarHBondContact O-N 2.92Å; L1350-L1395 HydrophobicContact CD1-CD1 4.07Å; L1350-L1395 HydrophobicContact CD1-CD2 3.98Å; L1350-L1395 HydrophobicContact CD1-CG 4.27Å; L1350-L1395 HydrophobicContact CD2-CD1 4.37Å; L1350-L1395 HydrophobicContact CG-CD1 3.75Å; L1350-L1395 HydrophobicContact CG-CD2 4.35Å; L1350-L1395 HydrophobicContact CG-CG 4.09Å; L1395-I1397 HydrophobicContact CB-CD1 3.67Å; L1395-I1397 HydrophobicContact CB-CG1 4Å; L1395-I1397 HydrophobicContact CD1-CD1 3.97Å; L1395-I1397 HydrophobicContact CG-CD1 4.46Å; L1395-I1397 PolarHBondContact O-N 3.36Å; L1395-I1433 HydrophobicContact CD1-CD1 4.06Å |
| 1396 | N | 60.3 | Low | 64.7 | Low | 152 Ų | 152 | 68.3 Ų | 68.3 | 81% | 0.813 | 35% | 0.345 | S | S | * | . | trans | -73.5 | 56.9 | -175.3 | -66 | -15.2 | 0 | 0 | 0 | 112.7 | ||||
| 1397 | I | 59.4 | Low | 64.1 | Low | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | trans | -100.7 | 115.7 | -175.5 | -58.9 | 164.3 | 0 | 0 | 0 | 108.8 | C1348 L1395 Q1399 F1403 I1433 | C1348-I1397 HydrophobicContact CB-CB 4.34Å; C1348-I1397 HydrophobicContact CB-CD1 4.07Å; L1395-I1397 HydrophobicContact CB-CD1 3.67Å; L1395-I1397 HydrophobicContact CB-CG1 4Å; L1395-I1397 HydrophobicContact CD1-CD1 3.97Å; L1395-I1397 HydrophobicContact CG-CD1 4.46Å; L1395-I1397 PolarHBondContact O-N 3.36Å; I1397-Q1399 VanDerWaalsContact C-N 3.34Å; I1397-Q1399 PolarHBondContact O-N 3.4Å; I1397-F1403 HydrophobicContact CG2-CD2 4.34Å; I1397-F1403 HydrophobicContact CG2-CE2 3.39Å; I1397-F1403 HydrophobicContact CG2-CZ 3.64Å; I1397-I1433 HydrophobicContact CD1-CD1 3.54Å; I1397-I1433 HydrophobicContact CG1-CD1 4.43Å | ||
| 1398 | I | 52.1 | Low | 63.7 | Low | 153 Ų | 153 | 66.6 Ų | 66.6 | 79% | 0.785 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -21.3 | -164 | -60.6 | 170.3 | 0 | 0 | 0 | 113.3 | ||
| 1399 | Q | 52.6 | Low | 63.2 | Low | 93 Ų | 93 | 63.4 Ų | 63.4 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 47.7 | -163.1 | -57.7 | -172 | 19.9 | 0 | 0 | 114.6 | I1397 N1401 K1402 F1403 | I1397-Q1399 VanDerWaalsContact C-N 3.34Å; I1397-Q1399 PolarHBondContact O-N 3.4Å; Q1399-N1401 VanDerWaalsContact C-N 3.26Å; Q1399-N1401 PolarHBondContact O-N 3.08Å; Q1399-K1402 HydrophobicContact CB-CD 4.21Å; Q1399-K1402 PolarHBondContact O-N 3.29Å; Q1399-K1402 VanDerWaalsContact O-N 3.09Å; Q1399-F1403 WeakPolarHBondContact O-CE2 3.46Å |
| 1400 | A | 47.6 | Very low | 62.4 | Low | 7 Ų | 7 | 60.3 Ų | 60.3 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -40.7 | -42.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | F1342 H1346 K1402 F1403 | F1342-A1400 HydrophobicContact CD1-CB 3.63Å; F1342-A1400 HydrophobicContact CE1-CB 3.57Å; H1346-A1400 HydrophobicContact CB-CB 4Å; H1346-A1400 WeakPolarHBondContact O-CB 3.49Å; A1400-K1402 PolarHBondContact O-N 3.49Å; A1400-F1403 WeakPolarHBondContact O-CD2 3.46Å; A1400-F1403 PolarHBondContact O-N 3.26Å; A1400-F1403 VanDerWaalsContact O-N 3.11Å |
| 1401 | N | 48.5 | Very low | 61.7 | Low | 113 Ų | 113 | 55 Ų | 55 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -64 | -7.4 | -176.3 | -71.7 | -24.1 | 0 | 0 | 0 | 115.2 | H1346 Q1399 L1404 | H1346-N1401 PolarHBondContact CE1-OD1 3.29Å; H1346-N1401 PolarHBondContact ND1-OD1 2.88Å; Q1399-N1401 VanDerWaalsContact C-N 3.26Å; Q1399-N1401 PolarHBondContact O-N 3.08Å; N1401-L1404 WeakPolarHBondContact O-CD1 3.15Å |
| 1402 | K | 50.5 | Low | 60.6 | Low | 81 Ų | 81 | 56.3 Ų | 56.3 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -81.1 | -26.4 | 173.5 | -72.2 | 178.7 | 168.5 | 175.6 | 0 | 113.7 | Q1399 A1400 L1404 I1423 T1427 | Q1399-K1402 HydrophobicContact CB-CD 4.21Å; Q1399-K1402 PolarHBondContact O-N 3.29Å; Q1399-K1402 VanDerWaalsContact O-N 3.09Å; A1400-K1402 PolarHBondContact O-N 3.49Å; K1402-L1404 PolarHBondContact O-N 3.49Å; K1402-I1423 HydrophobicContact CB-CD1 3.87Å; K1402-I1423 WeakPolarHBondContact O-CD1 3.37Å; K1402-I1423 VanDerWaalsContact O-CG1 3.29Å; K1402-I1423 WeakPolarHBondContact O-CG1 3.01Å; K1402-T1427 PolarHBondContact NZ-OG1 2.85Å |
| 1403 | F | 54.1 | Low | 59.5 | Low | 9 Ų | 9 | 56 Ų | 56 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | trans | -92.1 | 28.4 | -159.5 | -60.5 | -77.6 | 0 | 0 | 0 | 115.5 | F1342 I1397 Q1399 A1400 N1405 F1421 I1423 D1430 | F1342-F1403 HydrophobicContact CE1-CB 4.48Å; F1342-F1403 HydrophobicContact CE2-CB 4.41Å; F1342-F1403 HydrophobicContact CZ-CB 3.69Å; F1342-F1403 HydrophobicContact CZ-CD2 4.38Å; F1342-F1403 HydrophobicContact CZ-CG 4.39Å; I1397-F1403 HydrophobicContact CG2-CD2 4.34Å; I1397-F1403 HydrophobicContact CG2-CE2 3.39Å; I1397-F1403 HydrophobicContact CG2-CZ 3.64Å; Q1399-F1403 WeakPolarHBondContact O-CE2 3.46Å; A1400-F1403 WeakPolarHBondContact O-CD2 3.46Å; A1400-F1403 PolarHBondContact O-N 3.26Å; A1400-F1403 VanDerWaalsContact O-N 3.11Å; F1403-N1405 VanDerWaalsContact C-N 3.26Å; F1403-N1405 PolarHBondContact O-N 2.71Å; F1403-N1405 VanDerWaalsContact O-N 3.12Å; F1403-F1421 HydrophobicContact CB-CD1 4.32Å; F1403-F1421 HydrophobicContact CB-CE1 4.48Å; F1403-F1421 HydrophobicContact CD1-CB 4.08Å; F1403-F1421 AromaticContact CD1-CD1 3.71Å; F1403-F1421 HydrophobicContact CD1-CD1 3.71Å; F1403-F1421 AromaticContact CD1-CD2 3.55Å; F1403-F1421 HydrophobicContact CD1-CD2 3.55Å; F1403-F1421 AromaticContact CD1-CE1 3.96Å; F1403-F1421 HydrophobicContact CD1-CE1 3.96Å; F1403-F1421 AromaticContact CD1-CE2 3.8Å; F1403-F1421 HydrophobicContact CD1-CE2 3.8Å; F1403-F1421 AromaticContact CD1-CG 3.51Å; F1403-F1421 HydrophobicContact CD1-CG 3.51Å; F1403-F1421 HydrophobicContact CD1-CZ 4Å; F1403-F1421 AromaticContact CE1-CD2 3.6Å; F1403-F1421 HydrophobicContact CE1-CD2 3.6Å; F1403-F1421 AromaticContact CE1-CE2 3.74Å; F1403-F1421 HydrophobicContact CE1-CE2 3.74Å; F1403-F1421 HydrophobicContact CE1-CG 4.04Å; F1403-F1421 HydrophobicContact CE1-CZ 4.3Å; F1403-F1421 HydrophobicContact CG-CD1 4.44Å; F1403-I1423 HydrophobicContact CD1-CD1 3.77Å; F1403-I1423 HydrophobicContact CE1-CD1 4Å; F1403-I1423 HydrophobicContact CG-CD1 4.47Å; F1403-D1430 HydrophobicContact CE1-CB 4.36Å; F1403-D1430 HydrophobicContact CZ-CB 4.1Å | ||
| 1404 | L | 50.2 | Low | 58.6 | Low | 87 Ų | 87 | 54.7 Ų | 54.7 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | trans | -53.4 | -39.7 | -172.9 | -92.7 | 84.1 | 0 | 0 | 0 | 113.7 | N1284 H1327 N1401 K1402 | N1284-L1404 WeakPolarHBondContact CB-O 3.48Å; H1327-L1404 PolarHBondContact ND1-O 2.83Å; N1401-L1404 WeakPolarHBondContact O-CD1 3.15Å; K1402-L1404 PolarHBondContact O-N 3.49Å | ||
| 1405 | N | 54 | Low | 58.1 | Low | 55 Ų | 55 | 55 Ų | 55 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -105.1 | 99.2 | -177.9 | -62.5 | -48.3 | 0 | 0 | 0 | 110.6 | H1285 F1403 N1422 | H1285-N1405 PolarHBondContact CD2-OD1 3.48Å; F1403-N1405 VanDerWaalsContact C-N 3.26Å; F1403-N1405 PolarHBondContact O-N 2.71Å; F1403-N1405 VanDerWaalsContact O-N 3.12Å; N1405-N1422 HydrophobicContact CB-CB 3.42Å; N1405-N1422 VanDerWaalsContact CB-CB 3.42Å; N1405-N1422 WeakPolarHBondContact O-CB 3.35Å; N1405-N1422 PolarHBondContact O-N 2.94Å |
| 1406 | C | 59.2 | Low | 58 | Low | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 145.3 | 174.8 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | F1340 F1421 | F1340-C1406 HydrophobicContact CD1-CB 4.34Å; F1340-C1406 HydrophobicContact CE1-CB 4.33Å; C1406-F1421 HydrophobicContact CB-CD1 3.98Å; C1406-F1421 HydrophobicContact CB-CE1 4.16Å; C1406-F1421 VanDerWaalsContact SG-CE1 3.54Å |
| 1407 | S | 60.8 | Low | 58.4 | Low | 34 Ų | 34 | 47.4 Ų | 47.4 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.7 | 178.1 | 58 | 0 | 0 | 0 | 0 | 110.9 | Y1419 L1420 | S1407-Y1419 CarbonylContact O-C 3.44Å; S1407-Y1419 WeakPolarHBondContact O-CA 3.48Å; S1407-L1420 PolarHBondContact N-O 2.89Å; S1407-L1420 PolarHBondContact O-N 3.3Å; S1407-L1420 PolarHBondContact OG-O 3.01Å |
| 1408 | T | 65.3 | Low | 58.9 | Low | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.3 | -172 | 27.6 | 0 | 0 | 0 | 0 | 113.6 | Y1288 S1328 A1418 Y1419 | Y1288-T1408 WeakPolarHBondContact CD2-O 3.44Å; Y1288-T1408 WeakPolarHBondContact CD2-OG1 3.44Å; S1328-T1408 WeakPolarHBondContact OG-CG2 3.4Å; S1328-T1408 PolarHBondContact OG-OG1 2.81Å; T1408-A1418 WeakPolarHBondContact CA-O 3.46Å; T1408-Y1419 HydrophobicContact CG2-CD1 3.26Å; T1408-Y1419 HydrophobicContact CG2-CD2 4.46Å; T1408-Y1419 HydrophobicContact CG2-CE1 3.2Å; T1408-Y1419 HydrophobicContact CG2-CE2 4.43Å; T1408-Y1419 HydrophobicContact CG2-CG 3.93Å |
| 1409 | H | 66.9 | Low | 59.8 | Low | 49 Ų | 49 | 39.8 Ų | 39.8 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 117.7 | -179.7 | -62.6 | -36.4 | 0 | 0 | 0 | 111.7 | A1418 A1480 | H1409-A1418 PolarHBondContact N-O 3.43Å; H1409-A1418 PolarHBondContact O-N 3.08Å; H1409-A1480 VanDerWaalsContact CD2-CB 3.44Å; H1409-A1480 WeakPolarHBondContact CD2-CB 3.47Å |
| 1410 | L | 64.6 | Low | 60.2 | Low | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 142.7 | 169.5 | -165.8 | 67.1 | 0 | 0 | 0 | 109.8 | L1293 I1330 L1332 I1417 | L1293-L1410 HydrophobicContact CD1-CD2 4.24Å; I1330-L1410 HydrophobicContact CD1-CB 4.21Å; I1330-L1410 HydrophobicContact CD1-CD1 4.1Å; L1332-L1410 HydrophobicContact CD2-CD1 4.37Å; L1410-I1417 HydrophobicContact CD1-CG1 3.72Å |
| 1411 | S | 65.3 | Low | 60.7 | Low | 9 Ų | 9 | 35.9 Ų | 35.9 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | trans | -74.9 | -172.3 | 170.5 | 94.2 | 0 | 0 | 0 | 0 | 112 | T1413 L1416 N1486 | S1411-T1413 VanDerWaalsContact C-N 3.29Å; S1411-T1413 PolarHBondContact OG-N 3.01Å; S1411-T1413 PolarHBondContact OG-O 3.46Å; S1411-T1413 PolarHBondContact OG-OG1 2.86Å; S1411-T1413 VanDerWaalsContact OG-OG1 3.12Å; S1411-L1416 WeakPolarHBondContact CB-O 3.48Å; S1411-L1416 PolarHBondContact N-O 2.92Å; S1411-N1486 VanDerWaalsContact CB-OD1 3.24Å; S1411-N1486 WeakPolarHBondContact CB-OD1 3.27Å; S1411-N1486 PolarHBondContact OG-OD1 3.41Å | ||
| 1412 | Y | 55.8 | Low | 60.6 | Low | 116 Ų | 116 | 34.1 Ų | 34.1 | 46% | 0.455 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -71.3 | -27.9 | 169.8 | -171.5 | -99.1 | 0 | 0 | 0 | 112.2 | Y1484 N1486 | Y1412-Y1484 HydrophobicContact CD1-CD2 4.47Å; Y1412-Y1484 HydrophobicContact CD1-CE2 4.04Å; Y1412-Y1484 HydrophobicContact CE1-CE2 4.03Å; Y1412-N1486 PolarHBondContact N-OD1 3.25Å |
| 1413 | T | 58.1 | Low | 60.1 | Low | 42 Ų | 42 | 32.6 Ų | 32.6 | 26% | 0.258 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -90.9 | 141.6 | 168.1 | 70.3 | 0 | 0 | 0 | 0 | 110.1 | S1411 H1415 | S1411-T1413 VanDerWaalsContact C-N 3.29Å; S1411-T1413 PolarHBondContact OG-N 3.01Å; S1411-T1413 PolarHBondContact OG-O 3.46Å; S1411-T1413 PolarHBondContact OG-OG1 2.86Å; S1411-T1413 VanDerWaalsContact OG-OG1 3.12Å; T1413-H1415 PolarHBondContact O-N 3.46Å |
| 1414 | N | 58.7 | Low | 59.2 | Low | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.2 | 177.9 | -63.5 | -78 | 0 | 0 | 0 | 113.5 | L1332 Q1333 | L1332-N1414 HydrophobicContact CD2-CB 4.39Å; L1332-N1414 WeakPolarHBondContact CD2-O 3.07Å; Q1333-N1414 PolarHBondContact NE2-ND2 3.27Å; Q1333-N1414 PolarHBondContact OE1-ND2 2.91Å; Q1333-N1414 VanDerWaalsContact OE1-ND2 3.11Å |
| 1415 | H | 65.7 | Low | 58.6 | Low | 73 Ų | 73 | 38.2 Ų | 38.2 | 34% | 0.338 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -39.2 | -175.1 | -53.8 | -50.6 | 0 | 0 | 0 | 112.8 | T1413 W1435 D1436 Q1437 R1438 | T1413-H1415 PolarHBondContact O-N 3.46Å; H1415-W1435 VanDerWaalsContact O-O 3.06Å; H1415-D1436 WeakPolarHBondContact CB-OD1 3.46Å; H1415-D1436 WeakPolarHBondContact O-CA 3.27Å; H1415-Q1437 HydrophobicContact CB-CB 3.86Å; H1415-Q1437 PolarHBondContact ND1-OE1 3.42Å; H1415-Q1437 WeakPolarHBondContact O-CB 3.46Å; H1415-Q1437 PolarHBondContact O-N 2.96Å; H1415-R1438 HydrophobicContact CB-CG 3.77Å |
| 1416 | L | 67.5 | Low | 57.7 | Low | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117.7 | -177.1 | -72.4 | 162 | 0 | 0 | 0 | 111.7 | S1411 I1434 W1435 D1436 N1486 | S1411-L1416 WeakPolarHBondContact CB-O 3.48Å; S1411-L1416 PolarHBondContact N-O 2.92Å; L1416-I1434 HydrophobicContact CD2-CG2 3.49Å; L1416-I1434 VanDerWaalsContact CD2-CG2 3.49Å; L1416-W1435 CarbonylContact C-O 3.59Å; L1416-W1435 VanDerWaalsContact CA-O 3.3Å; L1416-W1435 WeakPolarHBondContact CA-O 3.4Å; L1416-D1436 HydrophobicContact CD2-CB 3.58Å; L1416-D1436 HydrophobicContact CG-CB 4.41Å; L1416-N1486 HydrophobicContact CD1-CB 3.5Å |
| 1417 | I | 69.1 | Low | 56.7 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.3 | 174.5 | -54.2 | 166.6 | 0 | 0 | 0 | 109.1 | I1330 L1332 I1338 L1410 Y1419 I1434 W1435 | I1330-I1417 HydrophobicContact CD1-CD1 4.25Å; I1330-I1417 HydrophobicContact CD1-CG1 4.16Å; I1330-I1417 HydrophobicContact CD1-CG2 3.85Å; I1330-I1417 HydrophobicContact CG2-CD1 4.09Å; I1330-I1417 HydrophobicContact CG2-CG2 4.38Å; L1332-I1417 HydrophobicContact CD2-CD1 4.01Å; L1332-I1417 HydrophobicContact CG-CD1 4.42Å; I1338-I1417 HydrophobicContact CD1-CD1 3.83Å; L1410-I1417 HydrophobicContact CD1-CG1 3.72Å; I1417-Y1419 HydrophobicContact CB-CE2 4.4Å; I1417-Y1419 HydrophobicContact CG2-CD2 4.08Å; I1417-Y1419 HydrophobicContact CG2-CE2 3.62Å; I1417-I1434 CarbonylContact O-C 3.53Å; I1417-I1434 WeakPolarHBondContact O-CA 3.4Å; I1417-W1435 HydrophobicContact CB-CB 4.43Å; I1417-W1435 PolarHBondContact N-O 2.99Å; I1417-W1435 PolarHBondContact O-N 3.47Å |
| 1418 | A | 70.5 | Confident | 55.9 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | T1408 H1409 L1420 I1433 I1434 F1482 | T1408-A1418 WeakPolarHBondContact CA-O 3.46Å; H1409-A1418 PolarHBondContact N-O 3.43Å; H1409-A1418 PolarHBondContact O-N 3.08Å; A1418-L1420 HydrophobicContact CB-CD2 4.35Å; A1418-L1420 HydrophobicContact CB-CG 4.32Å; A1418-I1433 CarbonylContact C-O 3.55Å; A1418-I1433 WeakPolarHBondContact CA-O 3.21Å; A1418-I1434 HydrophobicContact CB-CG1 4.2Å; A1418-F1482 HydrophobicContact CB-CE2 4.38Å; A1418-F1482 HydrophobicContact CB-CZ 3.88Å |
| 1419 | Y | 70 | Confident | 55 | Low | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112 | 161.5 | -66.7 | -99.4 | 0 | 0 | 0 | 107.4 | I1330 I1338 F1340 L1350 S1407 T1408 I1417 G1432 I1433 | I1330-Y1419 WeakPolarHBondContact CG2-OH 3.41Å; I1338-Y1419 WeakPolarHBondContact CG2-OH 3.42Å; F1340-Y1419 HydrophobicContact CB-CD1 3.9Å; F1340-Y1419 HydrophobicContact CB-CE1 3.53Å; F1340-Y1419 HydrophobicContact CD2-CD1 4.32Å; F1340-Y1419 HydrophobicContact CG-CD1 4.09Å; F1340-Y1419 HydrophobicContact CG-CE1 4.21Å; L1350-Y1419 HydrophobicContact CD2-CE1 4.43Å; L1350-Y1419 HydrophobicContact CD2-CE2 4.14Å; S1407-Y1419 CarbonylContact O-C 3.44Å; S1407-Y1419 WeakPolarHBondContact O-CA 3.48Å; T1408-Y1419 HydrophobicContact CG2-CD1 3.26Å; T1408-Y1419 HydrophobicContact CG2-CD2 4.46Å; T1408-Y1419 HydrophobicContact CG2-CE1 3.2Å; T1408-Y1419 HydrophobicContact CG2-CE2 4.43Å; T1408-Y1419 HydrophobicContact CG2-CG 3.93Å; I1417-Y1419 HydrophobicContact CB-CE2 4.4Å; I1417-Y1419 HydrophobicContact CG2-CD2 4.08Å; I1417-Y1419 HydrophobicContact CG2-CE2 3.62Å; Y1419-G1432 CarbonylContact O-C 3.53Å; Y1419-G1432 WeakPolarHBondContact O-CA 3.38Å; Y1419-I1433 PolarHBondContact N-O 3.29Å; Y1419-I1433 PolarHBondContact O-N 3.33Å |
| 1420 | L | 61.6 | Low | 54.1 | Low | 11 Ų | 11 | 44.3 Ų | 44.3 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.5 | -178.7 | -60.2 | -177.5 | 0 | 0 | 0 | 110.5 | S1407 A1418 L1445 A1480 | S1407-L1420 PolarHBondContact N-O 2.89Å; S1407-L1420 PolarHBondContact O-N 3.3Å; S1407-L1420 PolarHBondContact OG-O 3.01Å; A1418-L1420 HydrophobicContact CB-CD2 4.35Å; A1418-L1420 HydrophobicContact CB-CG 4.32Å; L1420-L1445 HydrophobicContact CD2-CD1 3.62Å; L1420-A1480 HydrophobicContact CD1-CB 4.04Å |
| 1421 | F | 59 | Low | 53.7 | Low | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.5 | -173 | -52.5 | -63.8 | 0 | 0 | 0 | 112.7 | F1340 F1403 C1406 I1423 D1430 F1431 I1433 | F1340-F1421 AromaticContact CE1-CE1 3.75Å; F1340-F1421 HydrophobicContact CE1-CE1 3.75Å; F1340-F1421 HydrophobicContact CE1-CZ 4.39Å; F1340-F1421 HydrophobicContact CE2-CE1 4.39Å; F1340-F1421 HydrophobicContact CE2-CZ 4.27Å; F1340-F1421 AromaticContact CZ-CE1 3.56Å; F1340-F1421 HydrophobicContact CZ-CE1 3.56Å; F1340-F1421 AromaticContact CZ-CZ 3.74Å; F1340-F1421 HydrophobicContact CZ-CZ 3.74Å; F1403-F1421 HydrophobicContact CB-CD1 4.32Å; F1403-F1421 HydrophobicContact CB-CE1 4.48Å; F1403-F1421 HydrophobicContact CD1-CB 4.08Å; F1403-F1421 AromaticContact CD1-CD1 3.71Å; F1403-F1421 HydrophobicContact CD1-CD1 3.71Å; F1403-F1421 AromaticContact CD1-CD2 3.55Å; F1403-F1421 HydrophobicContact CD1-CD2 3.55Å; F1403-F1421 AromaticContact CD1-CE1 3.96Å; F1403-F1421 HydrophobicContact CD1-CE1 3.96Å; F1403-F1421 AromaticContact CD1-CE2 3.8Å; F1403-F1421 HydrophobicContact CD1-CE2 3.8Å; F1403-F1421 AromaticContact CD1-CG 3.51Å; F1403-F1421 HydrophobicContact CD1-CG 3.51Å; F1403-F1421 HydrophobicContact CD1-CZ 4Å; F1403-F1421 AromaticContact CE1-CD2 3.6Å; F1403-F1421 HydrophobicContact CE1-CD2 3.6Å; F1403-F1421 AromaticContact CE1-CE2 3.74Å; F1403-F1421 HydrophobicContact CE1-CE2 3.74Å; F1403-F1421 HydrophobicContact CE1-CG 4.04Å; F1403-F1421 HydrophobicContact CE1-CZ 4.3Å; F1403-F1421 HydrophobicContact CG-CD1 4.44Å; C1406-F1421 HydrophobicContact CB-CD1 3.98Å; C1406-F1421 HydrophobicContact CB-CE1 4.16Å; C1406-F1421 VanDerWaalsContact SG-CE1 3.54Å; F1421-I1423 HydrophobicContact CB-CD1 4.21Å; F1421-I1423 HydrophobicContact CB-CG1 4.48Å; F1421-I1423 PolarHBondContact O-N 3.48Å; F1421-I1423 VanDerWaalsContact O-N 3.08Å; F1421-D1430 VanDerWaalsContact CD2-O 3.28Å; F1421-D1430 WeakPolarHBondContact CD2-O 3.43Å; F1421-F1431 WeakPolarHBondContact CD2-O 3.28Å; F1421-F1431 PolarHBondContact N-O 3Å; F1421-I1433 HydrophobicContact CE2-CG1 4.44Å |
| 1422 | N | 46.9 | Very low | 53.7 | Low | 76 Ų | 76 | 44.2 Ų | 44.2 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | trans | -82.7 | 24.8 | -176.6 | -125.8 | -29.8 | 0 | 0 | 0 | 113.2 | N1405 | N1405-N1422 HydrophobicContact CB-CB 3.42Å; N1405-N1422 VanDerWaalsContact CB-CB 3.42Å; N1405-N1422 WeakPolarHBondContact O-CB 3.35Å; N1405-N1422 PolarHBondContact O-N 2.94Å | ||
| 1423 | I | 38.7 | Very low | 54.4 | Low | 49 Ų | 49 | 38.8 Ų | 38.8 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -60.6 | 152.1 | 161.7 | -61.4 | 161.3 | 0 | 0 | 0 | 106.9 | K1402 F1403 F1421 R1425 K1426 | K1402-I1423 HydrophobicContact CB-CD1 3.87Å; K1402-I1423 WeakPolarHBondContact O-CD1 3.37Å; K1402-I1423 VanDerWaalsContact O-CG1 3.29Å; K1402-I1423 WeakPolarHBondContact O-CG1 3.01Å; F1403-I1423 HydrophobicContact CD1-CD1 3.77Å; F1403-I1423 HydrophobicContact CE1-CD1 4Å; F1403-I1423 HydrophobicContact CG-CD1 4.47Å; F1421-I1423 HydrophobicContact CB-CD1 4.21Å; F1421-I1423 HydrophobicContact CB-CG1 4.48Å; F1421-I1423 PolarHBondContact O-N 3.48Å; F1421-I1423 VanDerWaalsContact O-N 3.08Å; I1423-R1425 PolarHBondContact O-N 3.46Å; I1423-K1426 HydrophobicContact CG2-CB 3.77Å |
| 1424 | R | 35.4 | Very low | 55.2 | Low | 196 Ų | 196 | 36.8 Ų | 36.8 | 74% | 0.74 | 17% | 0.171 | S | C | * | . | trans | -68.1 | 63.1 | -179.7 | -70.6 | -174.9 | 174.5 | 177.1 | -1.9 | 112.6 | K1426 F1472 | R1424-K1426 WeakPolarHBondContact O-CA 3.37Å; R1424-K1426 WeakPolarHBondContact O-CB 3.42Å; R1424-K1426 WeakPolarHBondContact O-CG 3.44Å; R1424-K1426 PolarHBondContact O-N 3.43Å; R1424-F1472 WeakPolarHBondContact O-CA 3.48Å | ||
| 1425 | R | 38.8 | Very low | 56 | Low | 19 Ų | 19 | 36.1 Ų | 36.1 | 7% | 0.072 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 34.4 | 41.8 | -172.1 | -81.4 | -171.7 | 174.6 | 112.9 | 4.7 | 112.7 | I1423 F1431 T1471 F1472 F1474 L1499 | I1423-R1425 PolarHBondContact O-N 3.46Å; R1425-F1431 HydrophobicContact CG-CE2 3.77Å; R1425-F1431 HydrophobicContact CG-CZ 4.26Å; R1425-T1471 WeakPolarHBondContact CB-O 3.48Å; R1425-T1471 WeakPolarHBondContact CD-O 3.23Å; R1425-F1472 WeakPolarHBondContact O-CD1 3.43Å; R1425-F1474 PolarHBondContact NH1-O 2.61Å; R1425-L1499 VanDerWaalsContact NH2-CD1 3.26Å |
| 1426 | K | 33.6 | Very low | 56.6 | Low | 101 Ų | 101 | 32.8 Ų | 32.8 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | trans | -79.8 | -110.1 | -158.4 | -117.2 | 176 | -175.7 | -154.5 | 0 | 112.8 | I1423 R1424 A1428 F1472 | I1423-K1426 HydrophobicContact CG2-CB 3.77Å; R1424-K1426 WeakPolarHBondContact O-CA 3.37Å; R1424-K1426 WeakPolarHBondContact O-CB 3.42Å; R1424-K1426 WeakPolarHBondContact O-CG 3.44Å; R1424-K1426 PolarHBondContact O-N 3.43Å; K1426-A1428 PolarHBondContact O-N 3.01Å; K1426-F1472 VanDerWaalsContact CA-CE1 3.5Å; K1426-F1472 HydrophobicContact CB-CD1 4.3Å; K1426-F1472 HydrophobicContact CB-CE1 4.24Å; K1426-F1472 HydrophobicContact CB-CZ 4.38Å; K1426-F1472 HydrophobicContact CD-CD2 4.02Å; K1426-F1472 HydrophobicContact CD-CE2 4.05Å; K1426-F1472 HydrophobicContact CD-CG 4.46Å; K1426-F1472 VanDerWaalsContact CE-CE2 3.45Å; K1426-F1472 HydrophobicContact CG-CB 4.31Å; K1426-F1472 HydrophobicContact CG-CD1 3.7Å; K1426-F1472 HydrophobicContact CG-CD2 3.46Å; K1426-F1472 VanDerWaalsContact CG-CD2 3.46Å; K1426-F1472 HydrophobicContact CG-CE1 3.75Å; K1426-F1472 HydrophobicContact CG-CE2 3.47Å; K1426-F1472 VanDerWaalsContact CG-CE2 3.47Å; K1426-F1472 HydrophobicContact CG-CG 3.55Å; K1426-F1472 HydrophobicContact CG-CZ 3.61Å; K1426-F1472 WeakPolarHBondContact O-CE1 3.3Å | ||
| 1427 | T | 39.8 | Very low | 56.6 | Low | 46 Ų | 46 | 35.3 Ų | 35.3 | 28% | 0.282 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -53.3 | -14.5 | -168.1 | 37 | 0 | 0 | 0 | 0 | 118.1 | K1402 E1429 | K1402-T1427 PolarHBondContact NZ-OG1 2.85Å; T1427-E1429 PolarHBondContact O-N 3.25Å |
| 1428 | A | 43.7 | Very low | 56.4 | Low | 11 Ų | 11 | 41.1 Ų | 41.1 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | trans | 65.2 | -28.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K1426 L1447 I1468 | K1426-A1428 PolarHBondContact O-N 3.01Å; A1428-L1447 HydrophobicContact CB-CD1 3.7Å; A1428-L1447 HydrophobicContact CB-CG 4.03Å; A1428-I1468 HydrophobicContact CB-CG1 4.01Å | ||
| 1429 | E | 45.5 | Very low | 56.3 | Low | 96 Ų | 96 | 48.7 Ų | 48.7 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 129.2 | 140.1 | -63.4 | 157.3 | -175.7 | 0 | 0 | 109.7 | T1427 F1431 | T1427-E1429 PolarHBondContact O-N 3.25Å; E1429-F1431 VanDerWaalsContact C-N 3.31Å; E1429-F1431 PolarHBondContact O-N 3.32Å |
| 1430 | D | 48 | Very low | 56.1 | Low | 28 Ų | 28 | 55.4 Ų | 55.4 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 45.3 | 178.3 | -63.3 | -19.9 | 0 | 0 | 0 | 114.6 | F1403 F1421 G1432 H1444 Q1446 | F1403-D1430 HydrophobicContact CE1-CB 4.36Å; F1403-D1430 HydrophobicContact CZ-CB 4.1Å; F1421-D1430 VanDerWaalsContact CD2-O 3.28Å; F1421-D1430 WeakPolarHBondContact CD2-O 3.43Å; D1430-G1432 PolarHBondContact O-N 2.99Å; D1430-H1444 IonicContact OD1-CE1 3.13Å; D1430-H1444 IonicContact OD1-CG 3.95Å; D1430-H1444 IonicContact OD1-ND1 3.63Å; D1430-H1444 PolarHBondContact OD1-ND1 2.91Å; D1430-Q1446 PolarHBondContact OD1-NE2 3.32Å |
| 1431 | F | 56.7 | Low | 56.2 | Low | 29 Ų | 29 | 58.1 Ų | 58.1 | 13% | 0.127 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -62.8 | -29.1 | 176.3 | 173.6 | -115.9 | 0 | 0 | 0 | 113.1 | F1421 R1425 E1429 L1445 W1501 | F1421-F1431 WeakPolarHBondContact CD2-O 3.28Å; F1421-F1431 PolarHBondContact N-O 3Å; R1425-F1431 HydrophobicContact CG-CE2 3.77Å; R1425-F1431 HydrophobicContact CG-CZ 4.26Å; E1429-F1431 VanDerWaalsContact C-N 3.31Å; E1429-F1431 PolarHBondContact O-N 3.32Å; F1431-L1445 HydrophobicContact CB-CB 4.49Å; F1431-L1445 HydrophobicContact CD1-CB 4.34Å; F1431-L1445 HydrophobicContact CD1-CD1 4.3Å; F1431-L1445 PolarHBondContact N-O 3.02Å; F1431-W1501 AromaticContact CD1-CH2 3.41Å; F1431-W1501 HydrophobicContact CD1-CH2 3.41Å; F1431-W1501 VanDerWaalsContact CD1-CH2 3.41Å; F1431-W1501 AromaticContact CD1-CZ2 3.56Å; F1431-W1501 HydrophobicContact CD1-CZ2 3.56Å; F1431-W1501 HydrophobicContact CD1-CZ3 4.13Å; F1431-W1501 AromaticContact CE1-CH2 3.88Å; F1431-W1501 HydrophobicContact CE1-CH2 3.88Å; F1431-W1501 AromaticContact CE1-CZ2 3.48Å; F1431-W1501 HydrophobicContact CE1-CZ2 3.48Å; F1431-W1501 VanDerWaalsContact CE1-CZ2 3.48Å; F1431-W1501 HydrophobicContact CG-CH2 4.16Å; F1431-W1501 HydrophobicContact CZ-CZ2 4.41Å |
| 1432 | G | 65.2 | Low | 56.6 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 171.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1419 D1430 L1445 | Y1419-G1432 CarbonylContact O-C 3.53Å; Y1419-G1432 WeakPolarHBondContact O-CA 3.38Å; D1430-G1432 PolarHBondContact O-N 2.99Å; G1432-L1445 WeakPolarHBondContact O-CB 3.38Å; G1432-L1445 PolarHBondContact O-N 3.27Å |
| 1433 | I | 71.2 | Confident | 57.3 | Low | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.1 | -178.3 | -58.8 | 175.3 | 0 | 0 | 0 | 109.1 | L1395 I1397 A1418 Y1419 F1421 C1442 | L1395-I1433 HydrophobicContact CD1-CD1 4.06Å; I1397-I1433 HydrophobicContact CD1-CD1 3.54Å; I1397-I1433 HydrophobicContact CG1-CD1 4.43Å; A1418-I1433 CarbonylContact C-O 3.55Å; A1418-I1433 WeakPolarHBondContact CA-O 3.21Å; Y1419-I1433 PolarHBondContact N-O 3.29Å; Y1419-I1433 PolarHBondContact O-N 3.33Å; F1421-I1433 HydrophobicContact CE2-CG1 4.44Å; I1433-C1442 HydrophobicContact CG2-CB 3.71Å |
| 1434 | I | 74.3 | Confident | 58.5 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 107.6 | 172.2 | -59.3 | -178.6 | 0 | 0 | 0 | 108.1 | L1416 I1417 A1418 I1443 L1445 F1482 L1489 T1503 | L1416-I1434 HydrophobicContact CD2-CG2 3.49Å; L1416-I1434 VanDerWaalsContact CD2-CG2 3.49Å; I1417-I1434 CarbonylContact O-C 3.53Å; I1417-I1434 WeakPolarHBondContact O-CA 3.4Å; A1418-I1434 HydrophobicContact CB-CG1 4.2Å; I1434-I1443 HydrophobicContact CB-CB 4.38Å; I1434-I1443 PolarHBondContact N-O 3.44Å; I1434-I1443 PolarHBondContact O-N 2.82Å; I1434-L1445 HydrophobicContact CD1-CD2 3.82Å; I1434-L1445 HydrophobicContact CD1-CG 4.37Å; I1434-L1445 HydrophobicContact CG1-CD1 4.5Å; I1434-L1445 HydrophobicContact CG1-CD2 4.28Å; I1434-L1445 HydrophobicContact CG1-CG 4.32Å; I1434-F1482 HydrophobicContact CD1-CE1 4.31Å; I1434-L1489 HydrophobicContact CD1-CD2 4.37Å; I1434-T1503 HydrophobicContact CD1-CG2 3.82Å |
| 1435 | W | 75.8 | Confident | 59.6 | Low | 9 Ų | 9 | 49.1 Ų | 49.1 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127.6 | 167.5 | 168.5 | -96.2 | 0 | 0 | 0 | 109.4 | F1352 I1393 H1415 L1416 I1417 E1440 T1441 | F1352-W1435 HydrophobicContact CE1-CZ2 4.2Å; F1352-W1435 HydrophobicContact CZ-CH2 4.12Å; F1352-W1435 AromaticContact CZ-CZ2 3.95Å; F1352-W1435 HydrophobicContact CZ-CZ2 3.95Å; I1393-W1435 HydrophobicContact CD1-CH2 3.72Å; I1393-W1435 HydrophobicContact CD1-CZ3 3.85Å; H1415-W1435 VanDerWaalsContact O-O 3.06Å; L1416-W1435 CarbonylContact C-O 3.59Å; L1416-W1435 VanDerWaalsContact CA-O 3.3Å; L1416-W1435 WeakPolarHBondContact CA-O 3.4Å; I1417-W1435 HydrophobicContact CB-CB 4.43Å; I1417-W1435 PolarHBondContact N-O 2.99Å; I1417-W1435 PolarHBondContact O-N 3.47Å; W1435-E1440 VanDerWaalsContact CH2-C 3.4Å; W1435-E1440 HydrophobicContact CH2-CB 3.88Å; W1435-E1440 VanDerWaalsContact CH2-O 3.31Å; W1435-E1440 WeakPolarHBondContact CH2-O 3.19Å; W1435-E1440 HydrophobicContact CZ2-CB 4.21Å; W1435-E1440 HydrophobicContact CZ2-CG 4.47Å; W1435-E1440 VanDerWaalsContact CZ3-C 3.46Å; W1435-E1440 VanDerWaalsContact CZ3-O 3.28Å; W1435-E1440 WeakPolarHBondContact CZ3-O 3.49Å; W1435-T1441 WeakPolarHBondContact CA-O 3.36Å |
| 1436 | D | 77 | Confident | 60.1 | Low | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 103.9 | 169.7 | -165.6 | -15.2 | 0 | 0 | 0 | 111.6 | H1415 L1416 R1438 Y1439 E1440 T1441 | H1415-D1436 WeakPolarHBondContact CB-OD1 3.46Å; H1415-D1436 WeakPolarHBondContact O-CA 3.27Å; L1416-D1436 HydrophobicContact CD2-CB 3.58Å; L1416-D1436 HydrophobicContact CG-CB 4.41Å; D1436-R1438 PolarHBondContact O-N 3.3Å; D1436-R1438 VanDerWaalsContact O-N 3.11Å; D1436-R1438 VanDerWaalsContact OD1-CB 3.27Å; D1436-R1438 WeakPolarHBondContact OD1-CB 3.3Å; D1436-R1438 WeakPolarHBondContact OD1-CG 3.32Å; D1436-R1438 PolarHBondContact OD1-N 2.85Å; D1436-R1438 IonicContact OD1-NE 3.85Å; D1436-R1438 PolarHBondContact OD1-NE 3.22Å; D1436-R1438 VanDerWaalsContact OD1-NE 3.16Å; D1436-R1438 IonicContact OD2-CZ 2.88Å; D1436-R1438 IonicContact OD2-NE 3.87Å; D1436-R1438 PolarHBondContact OD2-NE 3.27Å; D1436-R1438 IonicContact OD2-NH2 3.83Å; D1436-R1438 PolarHBondContact OD2-NH2 3.22Å; D1436-Y1439 HydrophobicContact CB-CD2 4.16Å; D1436-Y1439 PolarHBondContact O-N 3.14Å; D1436-Y1439 WeakPolarHBondContact OD2-CD2 3.4Å; D1436-Y1439 WeakPolarHBondContact OD2-CE2 3.35Å; D1436-E1440 PolarHBondContact O-N 3.14Å; D1436-T1441 PolarHBondContact N-O 3.21Å; D1436-T1441 PolarHBondContact O-N 3.43Å |
| 1437 | Q | 68.5 | Low | 60.6 | Low | 54 Ų | 54 | 48.5 Ų | 48.5 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -13.8 | 176.4 | -155.2 | -154.2 | -1.6 | 0 | 0 | 114.1 | H1415 | H1415-Q1437 HydrophobicContact CB-CB 3.86Å; H1415-Q1437 PolarHBondContact ND1-OE1 3.42Å; H1415-Q1437 WeakPolarHBondContact O-CB 3.46Å; H1415-Q1437 PolarHBondContact O-N 2.96Å |
| 1438 | R | 65.1 | Low | 60.5 | Low | 122 Ų | 122 | 49.5 Ų | 49.5 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -28.7 | 172.4 | -66.8 | 176.1 | -67.2 | -177.4 | 4.8 | 112.1 | H1415 D1436 | H1415-R1438 HydrophobicContact CB-CG 3.77Å; D1436-R1438 PolarHBondContact O-N 3.3Å; D1436-R1438 VanDerWaalsContact O-N 3.11Å; D1436-R1438 VanDerWaalsContact OD1-CB 3.27Å; D1436-R1438 WeakPolarHBondContact OD1-CB 3.3Å; D1436-R1438 WeakPolarHBondContact OD1-CG 3.32Å; D1436-R1438 PolarHBondContact OD1-N 2.85Å; D1436-R1438 IonicContact OD1-NE 3.85Å; D1436-R1438 PolarHBondContact OD1-NE 3.22Å; D1436-R1438 VanDerWaalsContact OD1-NE 3.16Å; D1436-R1438 IonicContact OD2-CZ 2.88Å; D1436-R1438 IonicContact OD2-NE 3.87Å; D1436-R1438 PolarHBondContact OD2-NE 3.27Å; D1436-R1438 IonicContact OD2-NH2 3.83Å; D1436-R1438 PolarHBondContact OD2-NH2 3.22Å |
| 1439 | Y | 68.6 | Low | 60.3 | Low | 160 Ų | 160 | 53.6 Ų | 53.6 | 63% | 0.627 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | -9.2 | -175.1 | -55.2 | -69.1 | 0 | 0 | 0 | 112.5 | D1436 T1441 | D1436-Y1439 HydrophobicContact CB-CD2 4.16Å; D1436-Y1439 PolarHBondContact O-N 3.14Å; D1436-Y1439 WeakPolarHBondContact OD2-CD2 3.4Å; D1436-Y1439 WeakPolarHBondContact OD2-CE2 3.35Å; Y1439-T1441 WeakPolarHBondContact CB-OG1 3.47Å; Y1439-T1441 PolarHBondContact O-N 2.67Å |
| 1440 | E | 64.8 | Low | 59.8 | Low | 143 Ų | 143 | 52.9 Ų | 52.9 | 67% | 0.668 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 35.5 | -172.4 | -57.7 | -163.2 | 143.7 | 0 | 0 | 113.1 | W1435 D1436 | W1435-E1440 VanDerWaalsContact CH2-C 3.4Å; W1435-E1440 HydrophobicContact CH2-CB 3.88Å; W1435-E1440 VanDerWaalsContact CH2-O 3.31Å; W1435-E1440 WeakPolarHBondContact CH2-O 3.19Å; W1435-E1440 HydrophobicContact CZ2-CB 4.21Å; W1435-E1440 HydrophobicContact CZ2-CG 4.47Å; W1435-E1440 VanDerWaalsContact CZ3-C 3.46Å; W1435-E1440 VanDerWaalsContact CZ3-O 3.28Å; W1435-E1440 WeakPolarHBondContact CZ3-O 3.49Å; D1436-E1440 PolarHBondContact O-N 3.14Å |
| 1441 | T | 63.8 | Low | 59.1 | Low | 68 Ų | 68 | 54 Ų | 54 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155 | -177.7 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | W1435 D1436 Y1439 | W1435-T1441 WeakPolarHBondContact CA-O 3.36Å; D1436-T1441 PolarHBondContact N-O 3.21Å; D1436-T1441 PolarHBondContact O-N 3.43Å; Y1439-T1441 WeakPolarHBondContact CB-OG1 3.47Å; Y1439-T1441 PolarHBondContact O-N 2.67Å |
| 1442 | C | 66.5 | Low | 58 | Low | 38 Ų | 38 | 60.8 Ų | 60.8 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.2 | 166.2 | -73.5 | 0 | 0 | 0 | 0 | 110.2 | I1433 | I1433-C1442 HydrophobicContact CG2-CB 3.71Å |
| 1443 | I | 63.2 | Low | 56.5 | Low | 47 Ų | 47 | 68.1 Ų | 68.1 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.2 | 166.6 | -56.4 | 174.4 | 0 | 0 | 0 | 107.1 | I1434 T1503 | I1434-I1443 HydrophobicContact CB-CB 4.38Å; I1434-I1443 PolarHBondContact N-O 3.44Å; I1434-I1443 PolarHBondContact O-N 2.82Å; I1443-T1503 WeakPolarHBondContact CD1-O 3.28Å |
| 1444 | H | 62.9 | Low | 54.5 | Low | 54 Ų | 54 | 73.9 Ų | 73.9 | 25% | 0.25 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.5 | 176.9 | -73.9 | -130.8 | 0 | 0 | 0 | 109.7 | D1430 Q1446 | D1430-H1444 IonicContact OD1-CE1 3.13Å; D1430-H1444 IonicContact OD1-CG 3.95Å; D1430-H1444 IonicContact OD1-ND1 3.63Å; D1430-H1444 PolarHBondContact OD1-ND1 2.91Å; H1444-Q1446 HydrophobicContact CB-CG 3.99Å; H1444-Q1446 PolarHBondContact O-N 3.04Å |
| 1445 | L | 58.5 | Low | 52.5 | Low | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 105.5 | 171.7 | -65.7 | 178.8 | 0 | 0 | 0 | 108.4 | L1420 F1431 G1432 I1434 L1489 W1501 | L1420-L1445 HydrophobicContact CD2-CD1 3.62Å; F1431-L1445 HydrophobicContact CB-CB 4.49Å; F1431-L1445 HydrophobicContact CD1-CB 4.34Å; F1431-L1445 HydrophobicContact CD1-CD1 4.3Å; F1431-L1445 PolarHBondContact N-O 3.02Å; G1432-L1445 WeakPolarHBondContact O-CB 3.38Å; G1432-L1445 PolarHBondContact O-N 3.27Å; I1434-L1445 HydrophobicContact CD1-CD2 3.82Å; I1434-L1445 HydrophobicContact CD1-CG 4.37Å; I1434-L1445 HydrophobicContact CG1-CD1 4.5Å; I1434-L1445 HydrophobicContact CG1-CD2 4.28Å; I1434-L1445 HydrophobicContact CG1-CG 4.32Å; L1445-L1489 HydrophobicContact CD1-CD2 4.2Å; L1445-W1501 HydrophobicContact CB-CZ3 4.31Å; L1445-W1501 HydrophobicContact CD2-CE3 4.32Å |
| 1446 | Q | 49.2 | Very low | 50.5 | Low | 80 Ų | 80 | 84.3 Ų | 84.3 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | trans | -139.9 | 152.1 | -174.1 | -67.5 | 178.1 | -9 | 0 | 0 | 109.9 | D1430 H1444 G1506 H1507 | D1430-Q1446 PolarHBondContact OD1-NE2 3.32Å; H1444-Q1446 HydrophobicContact CB-CG 3.99Å; H1444-Q1446 PolarHBondContact O-N 3.04Å; Q1446-G1506 PolarHBondContact N-O 2.91Å; Q1446-H1507 PolarHBondContact O-ND1 2.81Å | ||
| 1447 | L | 44.7 | Very low | 48.7 | Very low | 27 Ų | 27 | 88 Ų | 88 | 14% | 0.141 | 43% | 0.432 | C | S | . | . | trans | -67.3 | 152.6 | 170.6 | -68.7 | 173.5 | 0 | 0 | 0 | 110.3 | A1428 F1449 I1468 I1508 | A1428-L1447 HydrophobicContact CB-CD1 3.7Å; A1428-L1447 HydrophobicContact CB-CG 4.03Å; L1447-F1449 HydrophobicContact CB-CD2 4.43Å; L1447-F1449 PolarHBondContact O-N 3.07Å; L1447-I1468 HydrophobicContact CD1-CD1 4.15Å; L1447-I1468 HydrophobicContact CD1-CG1 3.46Å; L1447-I1468 VanDerWaalsContact CD1-CG1 3.46Å; L1447-I1508 HydrophobicContact CD2-CD1 3.77Å; L1447-I1508 HydrophobicContact CD2-CG1 4.16Å | ||
| 1448 | P | 38.4 | Very low | 47.5 | Very low | 67 Ų | 67 | 90.8 Ų | 90.8 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -71.7 | 22.9 | -174.4 | 28.2 | -34.9 | 0 | 0 | 0 | 115.6 | ||
| 1449 | F | 38.5 | Very low | 45.9 | Very low | 98 Ų | 98 | 88 Ų | 88 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | trans | -135.6 | 116.1 | -173.7 | -42.8 | -67.7 | 0 | 0 | 0 | 109.7 | L1447 T1464 | L1447-F1449 HydrophobicContact CB-CD2 4.43Å; L1447-F1449 PolarHBondContact O-N 3.07Å; F1449-T1464 HydrophobicContact CB-CG2 3.77Å; F1449-T1464 HydrophobicContact CD2-CG2 3.72Å; F1449-T1464 HydrophobicContact CG-CG2 3.87Å | ||
| 1450 | N | 34.9 | Very low | 44.2 | Very low | 81 Ų | 81 | 85 Ų | 85 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | trans | -104.2 | 99.6 | -176.5 | -175 | 2.1 | 0 | 0 | 0 | 110.6 | E1452 Q1453 | N1450-E1452 VanDerWaalsContact C-N 3.27Å; N1450-E1452 PolarHBondContact O-N 3.43Å; N1450-Q1453 PolarHBondContact ND2-OE1 2.94Å | ||
| 1451 | I | 33.5 | Very low | 42.8 | Very low | 50 Ų | 50 | 78.9 Ų | 78.9 | 26% | 0.256 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.4 | -170.2 | -66.1 | 170.3 | 0 | 0 | 0 | 113.4 | V1461 | I1451-V1461 HydrophobicContact CG2-CG1 3.91Å; I1451-V1461 HydrophobicContact CG2-CG2 4.09Å |
| 1452 | E | 34.4 | Very low | 41.7 | Very low | 172 Ų | 172 | 79.3 Ų | 79.3 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -1.3 | -170.7 | -63.7 | -162.2 | 154.2 | 0 | 0 | 115.6 | N1450 | N1450-E1452 VanDerWaalsContact C-N 3.27Å; N1450-E1452 PolarHBondContact O-N 3.43Å |
| 1453 | Q | 32.3 | Very low | 39.9 | Very low | 154 Ų | 154 | 83.2 Ų | 83.2 | 72% | 0.72 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | -20.2 | -175.8 | -66 | -167.2 | -28.7 | 0 | 0 | 116.4 | N1450 | N1450-Q1453 PolarHBondContact ND2-OE1 2.94Š|
| 1454 | D | 30.1 | Very low | 38.5 | Very low | 123 Ų | 123 | 81.6 Ų | 81.6 | 66% | 0.658 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -125.9 | 150.8 | 173.5 | -75.3 | -65.5 | 0 | 0 | 0 | 110.7 | L1456 | D1454-L1456 VanDerWaalsContact C-N 3.26Å; D1454-L1456 PolarHBondContact O-N 3.25Å |
| 1455 | N | 32.9 | Very low | 37.3 | Very low | 176 Ų | 176 | 83.6 Ų | 83.6 | 94% | 0.941 | 43% | 0.425 | S | S | * | . | trans | -77.3 | 65.5 | -169.6 | -62.5 | -67.8 | 0 | 0 | 0 | 113.2 | ||||
| 1456 | L | 32.5 | Very low | 36 | Very low | 52 Ų | 52 | 90.2 Ų | 90.2 | 27% | 0.272 | 46% | 0.456 | S | S | . | . | trans | -66.5 | 137 | 167.6 | -68.5 | 167.9 | 0 | 0 | 0 | 110.3 | D1454 E1460 V1461 | D1454-L1456 VanDerWaalsContact C-N 3.26Å; D1454-L1456 PolarHBondContact O-N 3.25Å; L1456-E1460 WeakPolarHBondContact CA-OE2 3.36Å; L1456-E1460 HydrophobicContact CB-CB 4.23Å; L1456-E1460 HydrophobicContact CD2-CB 4.19Å; L1456-V1461 HydrophobicContact CB-CG2 4.04Å | ||
| 1457 | N | 38.6 | Very low | 35.2 | Very low | 81 Ų | 81 | 91.9 Ų | 91.9 | 43% | 0.433 | 47% | 0.465 | S | S | . | . | trans | -74.9 | 158.2 | 177.5 | -160.4 | -1.7 | 0 | 0 | 0 | 110.9 | D1459 E1460 V1461 | N1457-D1459 PolarHBondContact O-N 2.86Å; N1457-D1459 VanDerWaalsContact O-N 3.09Å; N1457-E1460 PolarHBondContact N-OE2 3.11Å; N1457-E1460 WeakPolarHBondContact O-CA 3.44Å; N1457-E1460 WeakPolarHBondContact O-CB 3.33Å; N1457-E1460 PolarHBondContact O-N 3.24Å; N1457-V1461 WeakPolarHBondContact O-CG2 3.21Å; N1457-V1461 PolarHBondContact O-N 3.42Å | ||
| 1458 | N | 44.9 | Very low | 34.7 | Very low | 114 Ų | 114 | 91.6 Ų | 91.6 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.9 | -26.6 | -171.4 | -82.9 | -56 | 0 | 0 | 0 | 114 | V1461 N1462 | N1458-V1461 CarbonylContact O-C 3.52Å; N1458-V1461 PolarHBondContact O-N 3.3Å; N1458-N1462 WeakPolarHBondContact O-CB 3.44Å; N1458-N1462 PolarHBondContact O-N 2.91Å; N1458-N1462 PolarHBondContact O-ND2 3.45Å |
| 1459 | D | 29.9 | Very low | 34.6 | Very low | 64 Ų | 64 | 92.6 Ų | 92.6 | 34% | 0.342 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 173.2 | -66.3 | -46.3 | 0 | 0 | 0 | 112.6 | N1457 V1461 N1462 L1463 | N1457-D1459 PolarHBondContact O-N 2.86Å; N1457-D1459 VanDerWaalsContact O-N 3.09Å; D1459-V1461 VanDerWaalsContact C-N 3.33Å; D1459-N1462 PolarHBondContact O-N 3.09Å; D1459-N1462 VanDerWaalsContact O-N 3.15Å; D1459-L1463 WeakPolarHBondContact O-CB 2.99Å; D1459-L1463 PolarHBondContact O-N 3.24Å |
| 1460 | E | 33 | Very low | 34.4 | Very low | 96 Ų | 96 | 94.1 Ų | 94.1 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 171.2 | -58.1 | 176.7 | 113 | 0 | 0 | 110.6 | L1456 N1457 N1462 T1464 | L1456-E1460 WeakPolarHBondContact CA-OE2 3.36Å; L1456-E1460 HydrophobicContact CB-CB 4.23Å; L1456-E1460 HydrophobicContact CD2-CB 4.19Å; N1457-E1460 PolarHBondContact N-OE2 3.11Å; N1457-E1460 WeakPolarHBondContact O-CA 3.44Å; N1457-E1460 WeakPolarHBondContact O-CB 3.33Å; N1457-E1460 PolarHBondContact O-N 3.24Å; E1460-N1462 PolarHBondContact O-N 3.04Å; E1460-T1464 WeakPolarHBondContact O-CB 3.11Å; E1460-T1464 VanDerWaalsContact O-CG2 3.32Å; E1460-T1464 WeakPolarHBondContact O-CG2 3.29Å; E1460-T1464 PolarHBondContact O-N 3.07Å; E1460-T1464 PolarHBondContact O-OG1 2.58Å |
| 1461 | V | 36.9 | Very low | 34.4 | Very low | 14 Ų | 14 | 90.9 Ų | 90.9 | 9% | 0.085 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.3 | -20.1 | 172.8 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | I1451 L1456 N1457 N1458 D1459 T1464 K1465 | I1451-V1461 HydrophobicContact CG2-CG1 3.91Å; I1451-V1461 HydrophobicContact CG2-CG2 4.09Å; L1456-V1461 HydrophobicContact CB-CG2 4.04Å; N1457-V1461 WeakPolarHBondContact O-CG2 3.21Å; N1457-V1461 PolarHBondContact O-N 3.42Å; N1458-V1461 CarbonylContact O-C 3.52Å; N1458-V1461 PolarHBondContact O-N 3.3Å; D1459-V1461 VanDerWaalsContact C-N 3.33Å; V1461-T1464 WeakPolarHBondContact CA-OG1 3.29Å; V1461-T1464 PolarHBondContact O-OG1 3.07Å; V1461-K1465 VanDerWaalsContact O-CD 3.28Å; V1461-K1465 WeakPolarHBondContact O-CD 3.46Å; V1461-K1465 WeakPolarHBondContact O-CE 3.49Å; V1461-K1465 WeakPolarHBondContact O-CG 3.42Å |
| 1462 | N | 39.5 | Very low | 34.6 | Very low | 77 Ų | 77 | 90.2 Ų | 90.2 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -94.2 | -39 | 174.8 | -71.8 | -26.5 | 0 | 0 | 0 | 112.6 | N1458 D1459 E1460 T1464 K1465 E1466 | N1458-N1462 WeakPolarHBondContact O-CB 3.44Å; N1458-N1462 PolarHBondContact O-N 2.91Å; N1458-N1462 PolarHBondContact O-ND2 3.45Å; D1459-N1462 PolarHBondContact O-N 3.09Å; D1459-N1462 VanDerWaalsContact O-N 3.15Å; E1460-N1462 PolarHBondContact O-N 3.04Å; N1462-T1464 VanDerWaalsContact C-N 3.32Å; N1462-T1464 PolarHBondContact O-N 3.49Å; N1462-K1465 CarbonylContact O-C 3.55Å; N1462-K1465 WeakPolarHBondContact O-CA 3.37Å; N1462-K1465 WeakPolarHBondContact O-CB 3.46Å; N1462-K1465 PolarHBondContact O-N 3.47Å; N1462-K1465 VanDerWaalsContact O-N 3.11Å; N1462-K1465 PolarHBondContact OD1-NZ 3.42Å; N1462-E1466 PolarHBondContact O-N 2.91Å |
| 1463 | L | 30 | Very low | 34.7 | Very low | 121 Ų | 121 | 85.2 Ų | 85.2 | 63% | 0.634 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60 | -41.1 | 170.4 | -102 | 165.6 | 0 | 0 | 0 | 111.9 | D1459 E1466 M1467 | D1459-L1463 WeakPolarHBondContact O-CB 2.99Å; D1459-L1463 PolarHBondContact O-N 3.24Å; L1463-E1466 PolarHBondContact O-N 3.29Å; L1463-M1467 PolarHBondContact O-N 2.89Å |
| 1464 | T | 33.6 | Very low | 34.8 | Very low | 13 Ų | 13 | 78.5 Ų | 78.5 | 8% | 0.08 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 171.3 | 47.3 | 0 | 0 | 0 | 0 | 111.1 | F1449 E1460 V1461 N1462 E1466 M1467 I1468 | F1449-T1464 HydrophobicContact CB-CG2 3.77Å; F1449-T1464 HydrophobicContact CD2-CG2 3.72Å; F1449-T1464 HydrophobicContact CG-CG2 3.87Å; E1460-T1464 WeakPolarHBondContact O-CB 3.11Å; E1460-T1464 VanDerWaalsContact O-CG2 3.32Å; E1460-T1464 WeakPolarHBondContact O-CG2 3.29Å; E1460-T1464 PolarHBondContact O-N 3.07Å; E1460-T1464 PolarHBondContact O-OG1 2.58Å; V1461-T1464 WeakPolarHBondContact CA-OG1 3.29Å; V1461-T1464 PolarHBondContact O-OG1 3.07Å; N1462-T1464 VanDerWaalsContact C-N 3.32Å; N1462-T1464 PolarHBondContact O-N 3.49Å; T1464-E1466 VanDerWaalsContact C-N 3.27Å; T1464-E1466 PolarHBondContact O-N 3.33Å; T1464-M1467 PolarHBondContact O-N 3.21Å; T1464-I1468 WeakPolarHBondContact O-CB 3.48Å; T1464-I1468 WeakPolarHBondContact O-CD1 3.47Å; T1464-I1468 WeakPolarHBondContact O-CG1 3.39Å; T1464-I1468 PolarHBondContact O-N 3.47Å |
| 1465 | K | 36.1 | Very low | 35 | Very low | 95 Ų | 95 | 74.2 Ų | 74.2 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -30.5 | 172.8 | -76.4 | 168.8 | -163.4 | 155.1 | 0 | 113.7 | V1461 N1462 N1469 | V1461-K1465 VanDerWaalsContact O-CD 3.28Å; V1461-K1465 WeakPolarHBondContact O-CD 3.46Å; V1461-K1465 WeakPolarHBondContact O-CE 3.49Å; V1461-K1465 WeakPolarHBondContact O-CG 3.42Å; N1462-K1465 CarbonylContact O-C 3.55Å; N1462-K1465 WeakPolarHBondContact O-CA 3.37Å; N1462-K1465 WeakPolarHBondContact O-CB 3.46Å; N1462-K1465 PolarHBondContact O-N 3.47Å; N1462-K1465 VanDerWaalsContact O-N 3.11Å; N1462-K1465 PolarHBondContact OD1-NZ 3.42Å; K1465-N1469 WeakPolarHBondContact O-CB 3.46Å; K1465-N1469 PolarHBondContact O-N 3.07Å; K1465-N1469 PolarHBondContact O-ND2 2.84Å |
| 1466 | E | 32.5 | Very low | 34.9 | Very low | 139 Ų | 139 | 73.3 Ų | 73.3 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -72.7 | -48.5 | 174.2 | -75.7 | -112.4 | 116.5 | 0 | 0 | 112 | N1462 L1463 T1464 I1468 N1469 Y1470 | N1462-E1466 PolarHBondContact O-N 2.91Å; L1463-E1466 PolarHBondContact O-N 3.29Å; T1464-E1466 VanDerWaalsContact C-N 3.27Å; T1464-E1466 PolarHBondContact O-N 3.33Å; E1466-I1468 VanDerWaalsContact C-N 3.26Å; E1466-I1468 PolarHBondContact O-N 2.73Å; E1466-N1469 PolarHBondContact O-N 3.42Å; E1466-N1469 VanDerWaalsContact O-N 3.14Å; E1466-Y1470 WeakPolarHBondContact O-CB 3.34Å; E1466-Y1470 PolarHBondContact O-N 3.2Å |
| 1467 | M | 31.7 | Very low | 35.1 | Very low | 115 Ų | 115 | 73.8 Ų | 73.8 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.6 | -42.6 | 172.1 | -85.9 | -152.2 | -170.4 | 0 | 0 | 112.2 | L1463 T1464 Y1470 T1471 | L1463-M1467 PolarHBondContact O-N 2.89Å; T1464-M1467 PolarHBondContact O-N 3.21Å; M1467-Y1470 PolarHBondContact O-N 2.93Å; M1467-T1471 PolarHBondContact O-N 3.25Å; M1467-T1471 VanDerWaalsContact O-N 3.14Å; M1467-T1471 PolarHBondContact O-OG1 2.99Å |
| 1468 | I | 34.9 | Very low | 35.3 | Very low | 21 Ų | 21 | 72.7 Ų | 72.7 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.7 | -62.1 | 171.1 | -77.3 | 172.5 | 0 | 0 | 0 | 108.1 | A1428 L1447 T1464 E1466 Y1470 T1471 F1472 | A1428-I1468 HydrophobicContact CB-CG1 4.01Å; L1447-I1468 HydrophobicContact CD1-CD1 4.15Å; L1447-I1468 HydrophobicContact CD1-CG1 3.46Å; L1447-I1468 VanDerWaalsContact CD1-CG1 3.46Å; T1464-I1468 WeakPolarHBondContact O-CB 3.48Å; T1464-I1468 WeakPolarHBondContact O-CD1 3.47Å; T1464-I1468 WeakPolarHBondContact O-CG1 3.39Å; T1464-I1468 PolarHBondContact O-N 3.47Å; E1466-I1468 VanDerWaalsContact C-N 3.26Å; E1466-I1468 PolarHBondContact O-N 2.73Å; I1468-Y1470 VanDerWaalsContact C-N 3.29Å; I1468-Y1470 PolarHBondContact O-N 3.23Å; I1468-Y1470 VanDerWaalsContact O-N 3.16Å; I1468-T1471 PolarHBondContact O-N 3.44Å; I1468-T1471 PolarHBondContact O-OG1 2.71Å; I1468-F1472 HydrophobicContact CB-CE1 4.23Å; I1468-F1472 HydrophobicContact CG2-CE1 3.32Å; I1468-F1472 HydrophobicContact CG2-CZ 3.44Å; I1468-F1472 VanDerWaalsContact CG2-CZ 3.44Å; I1468-F1472 WeakPolarHBondContact O-CD1 3.26Å; I1468-F1472 WeakPolarHBondContact O-CE1 3.23Å |
| 1469 | N | 35.4 | Very low | 35.3 | Very low | 88 Ų | 88 | 68.7 Ų | 68.7 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -54 | -38.8 | 178.3 | -84.4 | -67.6 | 0 | 0 | 0 | 114.2 | K1465 E1466 T1471 F1472 | K1465-N1469 WeakPolarHBondContact O-CB 3.46Å; K1465-N1469 PolarHBondContact O-N 3.07Å; K1465-N1469 PolarHBondContact O-ND2 2.84Å; E1466-N1469 PolarHBondContact O-N 3.42Å; E1466-N1469 VanDerWaalsContact O-N 3.14Å; N1469-T1471 VanDerWaalsContact C-N 3.32Å; N1469-T1471 PolarHBondContact O-N 3.09Å; N1469-F1472 HydrophobicContact CB-CD2 4.31Å; N1469-F1472 HydrophobicContact CB-CE2 4.25Å; N1469-F1472 VanDerWaalsContact O-CB 3.22Å; N1469-F1472 WeakPolarHBondContact O-CB 3.44Å; N1469-F1472 WeakPolarHBondContact O-CG 3.21Å; N1469-F1472 PolarHBondContact O-N 2.87Å; N1469-F1472 VanDerWaalsContact O-N 3.12Å; N1469-F1472 WeakPolarHBondContact OD1-CD2 3.35Å; N1469-F1472 WeakPolarHBondContact OD1-CE2 3.09Å |
| 1470 | Y | 35.5 | Very low | 36.4 | Very low | 130 Ų | 130 | 66.1 Ų | 66.1 | 51% | 0.51 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 178 | -174.6 | -102.3 | 0 | 0 | 0 | 112.5 | E1466 M1467 I1468 F1472 S1473 F1474 | E1466-Y1470 WeakPolarHBondContact O-CB 3.34Å; E1466-Y1470 PolarHBondContact O-N 3.2Å; M1467-Y1470 PolarHBondContact O-N 2.93Å; I1468-Y1470 VanDerWaalsContact C-N 3.29Å; I1468-Y1470 PolarHBondContact O-N 3.23Å; I1468-Y1470 VanDerWaalsContact O-N 3.16Å; Y1470-F1472 VanDerWaalsContact C-N 3.26Å; Y1470-F1472 PolarHBondContact O-N 2.81Å; Y1470-S1473 PolarHBondContact O-OG 2.7Å; Y1470-S1473 VanDerWaalsContact O-OG 3.14Å; Y1470-F1474 HydrophobicContact CD1-CE2 4Å; Y1470-F1474 HydrophobicContact CD1-CZ 4.49Å; Y1470-F1474 AromaticContact CE1-CE2 3.72Å; Y1470-F1474 HydrophobicContact CE1-CE2 3.72Å; Y1470-F1474 AromaticContact CE1-CZ 3.79Å; Y1470-F1474 HydrophobicContact CE1-CZ 3.79Å; Y1470-F1474 AromaticContact CZ-CZ 3.84Å; Y1470-F1474 VanDerWaalsContact O-CE2 3.31Å; Y1470-F1474 WeakPolarHBondContact O-CE2 3.31Å |
| 1471 | T | 34.8 | Very low | 37 | Very low | 13 Ų | 13 | 64.5 Ų | 64.5 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.6 | -18.1 | 175.4 | 34.4 | 0 | 0 | 0 | 0 | 114 | R1425 M1467 I1468 N1469 S1473 I1508 I1511 | R1425-T1471 WeakPolarHBondContact CB-O 3.48Å; R1425-T1471 WeakPolarHBondContact CD-O 3.23Å; M1467-T1471 PolarHBondContact O-N 3.25Å; M1467-T1471 VanDerWaalsContact O-N 3.14Å; M1467-T1471 PolarHBondContact O-OG1 2.99Å; I1468-T1471 PolarHBondContact O-N 3.44Å; I1468-T1471 PolarHBondContact O-OG1 2.71Å; N1469-T1471 VanDerWaalsContact C-N 3.32Å; N1469-T1471 PolarHBondContact O-N 3.09Å; T1471-S1473 VanDerWaalsContact C-N 3.29Å; T1471-S1473 PolarHBondContact O-N 2.66Å; T1471-I1508 HydrophobicContact CG2-CD1 4.19Å; T1471-I1511 HydrophobicContact CG2-CD1 4.13Å |
| 1472 | F | 37.5 | Very low | 37.8 | Very low | 36 Ų | 36 | 65.1 Ų | 65.1 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.2 | -173.5 | -63.6 | 2.3 | 0 | 0 | 0 | 114.1 | R1424 R1425 K1426 I1468 N1469 Y1470 | R1424-F1472 WeakPolarHBondContact O-CA 3.48Å; R1425-F1472 WeakPolarHBondContact O-CD1 3.43Å; K1426-F1472 VanDerWaalsContact CA-CE1 3.5Å; K1426-F1472 HydrophobicContact CB-CD1 4.3Å; K1426-F1472 HydrophobicContact CB-CE1 4.24Å; K1426-F1472 HydrophobicContact CB-CZ 4.38Å; K1426-F1472 HydrophobicContact CD-CD2 4.02Å; K1426-F1472 HydrophobicContact CD-CE2 4.05Å; K1426-F1472 HydrophobicContact CD-CG 4.46Å; K1426-F1472 VanDerWaalsContact CE-CE2 3.45Å; K1426-F1472 HydrophobicContact CG-CB 4.31Å; K1426-F1472 HydrophobicContact CG-CD1 3.7Å; K1426-F1472 HydrophobicContact CG-CD2 3.46Å; K1426-F1472 VanDerWaalsContact CG-CD2 3.46Å; K1426-F1472 HydrophobicContact CG-CE1 3.75Å; K1426-F1472 HydrophobicContact CG-CE2 3.47Å; K1426-F1472 VanDerWaalsContact CG-CE2 3.47Å; K1426-F1472 HydrophobicContact CG-CG 3.55Å; K1426-F1472 HydrophobicContact CG-CZ 3.61Å; K1426-F1472 WeakPolarHBondContact O-CE1 3.3Å; I1468-F1472 HydrophobicContact CB-CE1 4.23Å; I1468-F1472 HydrophobicContact CG2-CE1 3.32Å; I1468-F1472 HydrophobicContact CG2-CZ 3.44Å; I1468-F1472 VanDerWaalsContact CG2-CZ 3.44Å; I1468-F1472 WeakPolarHBondContact O-CD1 3.26Å; I1468-F1472 WeakPolarHBondContact O-CE1 3.23Å; N1469-F1472 HydrophobicContact CB-CD2 4.31Å; N1469-F1472 HydrophobicContact CB-CE2 4.25Å; N1469-F1472 VanDerWaalsContact O-CB 3.22Å; N1469-F1472 WeakPolarHBondContact O-CB 3.44Å; N1469-F1472 WeakPolarHBondContact O-CG 3.21Å; N1469-F1472 PolarHBondContact O-N 2.87Å; N1469-F1472 VanDerWaalsContact O-N 3.12Å; N1469-F1472 WeakPolarHBondContact OD1-CD2 3.35Å; N1469-F1472 WeakPolarHBondContact OD1-CE2 3.09Å; Y1470-F1472 VanDerWaalsContact C-N 3.26Å; Y1470-F1472 PolarHBondContact O-N 2.81Å |
| 1473 | S | 35.6 | Very low | 38 | Very low | 67 Ų | 67 | 62.7 Ų | 62.7 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -36.6 | -167.5 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | Y1470 T1471 G1475 | Y1470-S1473 PolarHBondContact O-OG 2.7Å; Y1470-S1473 VanDerWaalsContact O-OG 3.14Å; T1471-S1473 VanDerWaalsContact C-N 3.29Å; T1471-S1473 PolarHBondContact O-N 2.66Å; S1473-G1475 PolarHBondContact O-N 3.22Å |
| 1474 | F | 34.8 | Very low | 38.7 | Very low | 14 Ų | 14 | 62.2 Ų | 62.2 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -67.2 | 20.5 | -160.2 | -67.5 | -67.7 | 0 | 0 | 0 | 118.7 | R1425 Y1470 E1495 C1496 A1513 | R1425-F1474 PolarHBondContact NH1-O 2.61Å; Y1470-F1474 HydrophobicContact CD1-CE2 4Å; Y1470-F1474 HydrophobicContact CD1-CZ 4.49Å; Y1470-F1474 AromaticContact CE1-CE2 3.72Å; Y1470-F1474 HydrophobicContact CE1-CE2 3.72Å; Y1470-F1474 AromaticContact CE1-CZ 3.79Å; Y1470-F1474 HydrophobicContact CE1-CZ 3.79Å; Y1470-F1474 AromaticContact CZ-CZ 3.84Å; Y1470-F1474 VanDerWaalsContact O-CE2 3.31Å; Y1470-F1474 WeakPolarHBondContact O-CE2 3.31Å; F1474-E1495 HydrophobicContact CD1-CB 4.37Å; F1474-C1496 HydrophobicContact CB-CB 4.28Å; F1474-C1496 HydrophobicContact CD1-CB 3.69Å; F1474-C1496 HydrophobicContact CE1-CB 4.27Å; F1474-C1496 HydrophobicContact CG-CB 4.11Å; F1474-A1513 HydrophobicContact CE1-CB 4.4Å |
| 1475 | G | 34.7 | Very low | 39.3 | Very low | 33 Ų | 33 | 68.4 Ų | 68.4 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | trans | 81.2 | 162.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | S1473 | S1473-G1475 PolarHBondContact O-N 3.22Š| ||
| 1476 | K | 30.6 | Very low | 40.1 | Very low | 156 Ų | 156 | 64.1 Ų | 64.1 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -82.7 | 148.6 | 174.8 | -65.9 | -174.8 | 175.9 | -173.4 | 0 | 111.4 | ||
| 1477 | G | 36.9 | Very low | 41 | Very low | 62 Ų | 62 | 60.7 Ų | 60.7 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | trans | 119.4 | 40.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1478 | V | 43.6 | Very low | 41.7 | Very low | 58 Ų | 58 | 57.9 Ų | 57.9 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | trans | -78.8 | 128.7 | -168.9 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | T1491 T1492 | V1478-T1491 HydrophobicContact CG1-CG2 4.21Å; V1478-T1492 WeakPolarHBondContact CA-O 3.36Å | ||
| 1479 | S | 44.1 | Very low | 42.7 | Very low | 31 Ų | 31 | 57 Ų | 57 | 22% | 0.217 | 31% | 0.308 | C | S | . | . | trans | -97.9 | 141.3 | 156.3 | 78.9 | 0 | 0 | 0 | 0 | 109.3 | T1491 T1492 | S1479-T1491 VanDerWaalsContact O-CA 3.28Å; S1479-T1491 WeakPolarHBondContact O-CA 3.33Å; S1479-T1492 PolarHBondContact N-OG1 2.96Å; S1479-T1492 PolarHBondContact O-N 3.34Å; S1479-T1492 VanDerWaalsContact O-N 3.09Å; S1479-T1492 PolarHBondContact OG-OG1 3.29Å | ||
| 1480 | A | 52.7 | Low | 43.4 | Very low | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H1409 L1420 L1489 F1490 T1491 | H1409-A1480 VanDerWaalsContact CD2-CB 3.44Å; H1409-A1480 WeakPolarHBondContact CD2-CB 3.47Å; L1420-A1480 HydrophobicContact CD1-CB 4.04Å; A1480-L1489 HydrophobicContact CB-CD1 4.38Å; A1480-F1490 WeakPolarHBondContact CA-O 3.46Å; A1480-T1491 HydrophobicContact CB-CG2 4.07Å |
| 1481 | I | 46.4 | Very low | 44.1 | Very low | 63 Ų | 63 | 49.7 Ų | 49.7 | 32% | 0.323 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 122.8 | -173.3 | -57.9 | 179 | 0 | 0 | 0 | 108.5 | F1490 | I1481-F1490 PolarHBondContact N-O 3.03Å; I1481-F1490 WeakPolarHBondContact O-CB 3Å; I1481-F1490 PolarHBondContact O-N 3.17Å |
| 1482 | F | 52 | Low | 44.6 | Very low | 27 Ų | 27 | 51 Ų | 51 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 146 | 167.6 | -68 | -86.5 | 0 | 0 | 0 | 110.4 | A1418 I1434 N1486 L1488 L1489 T1503 | A1418-F1482 HydrophobicContact CB-CE2 4.38Å; A1418-F1482 HydrophobicContact CB-CZ 3.88Å; I1434-F1482 HydrophobicContact CD1-CE1 4.31Å; F1482-N1486 HydrophobicContact CD1-CB 4.48Å; F1482-L1488 WeakPolarHBondContact CA-O 3.48Å; F1482-L1489 HydrophobicContact CD1-CB 4.1Å; F1482-L1489 HydrophobicContact CD1-CD1 4.14Å; F1482-L1489 HydrophobicContact CD2-CD1 4.43Å; F1482-L1489 HydrophobicContact CE1-CB 4.08Å; F1482-L1489 HydrophobicContact CE1-CD1 4.04Å; F1482-L1489 HydrophobicContact CE1-CD2 4.41Å; F1482-L1489 HydrophobicContact CE1-CG 4.4Å; F1482-L1489 HydrophobicContact CE2-CD1 4.34Å; F1482-L1489 HydrophobicContact CG-CD1 4.35Å; F1482-L1489 HydrophobicContact CZ-CD1 4.16Å; F1482-T1503 HydrophobicContact CD1-CG2 3.94Å; F1482-T1503 HydrophobicContact CE1-CG2 3.74Å |
| 1483 | S | 45.1 | Very low | 44.8 | Very low | 26 Ų | 26 | 50.1 Ų | 50.1 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | trans | -53.8 | 159.9 | 156.8 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | E1485 N1486 D1487 L1488 | S1483-E1485 PolarHBondContact O-N 3.32Å; S1483-N1486 WeakPolarHBondContact O-CA 3.43Å; S1483-N1486 PolarHBondContact O-N 3.3Å; S1483-N1486 WeakPolarHBondContact OG-CA 3.49Å; S1483-N1486 PolarHBondContact OG-N 2.98Å; S1483-D1487 PolarHBondContact OG-N 2.86Å; S1483-L1488 PolarHBondContact N-O 2.71Å; S1483-L1488 WeakPolarHBondContact OG-CA 3.41Å; S1483-L1488 PolarHBondContact OG-N 3.26Å; S1483-L1488 PolarHBondContact OG-O 2.76Å | ||
| 1484 | Y | 43.4 | Very low | 45 | Very low | 110 Ų | 110 | 56.9 Ų | 56.9 | 43% | 0.431 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -62 | -42.2 | -178.8 | 173 | -102.6 | 0 | 0 | 0 | 113.4 | H1179 Y1412 N1486 | H1179-Y1484 HydrophobicContact CB-CE2 4.35Å; H1179-Y1484 AromaticContact CD2-CD2 3.29Å; H1179-Y1484 WeakPolarHBondContact CD2-CD2 3.49Å; H1179-Y1484 AromaticContact CD2-CE2 3.3Å; H1179-Y1484 WeakPolarHBondContact CD2-CE2 3.27Å; H1179-Y1484 AromaticContact CD2-CG 3.65Å; H1179-Y1484 AromaticContact CD2-CZ 3.66Å; H1179-Y1484 AromaticContact CE1-CD1 3.5Å; H1179-Y1484 AromaticContact CE1-CE1 3.39Å; H1179-Y1484 WeakPolarHBondContact CE1-CE1 3.26Å; H1179-Y1484 AromaticContact CE1-CG 3.91Å; H1179-Y1484 AromaticContact CE1-CZ 3.69Å; H1179-Y1484 AromaticContact CG-CE2 3.63Å; H1179-Y1484 AromaticContact CG-CZ 3.66Å; H1179-Y1484 AromaticContact ND1-CE1 3.79Å; H1179-Y1484 AromaticContact ND1-CZ 3.66Å; H1179-Y1484 AromaticContact NE2-CD1 3.3Å; H1179-Y1484 VanDerWaalsContact NE2-CD1 3.3Å; H1179-Y1484 WeakPolarHBondContact NE2-CD1 3.34Å; H1179-Y1484 AromaticContact NE2-CD2 3.43Å; H1179-Y1484 WeakPolarHBondContact NE2-CD2 3.47Å; H1179-Y1484 AromaticContact NE2-CE1 3.57Å; H1179-Y1484 AromaticContact NE2-CE2 3.68Å; H1179-Y1484 AromaticContact NE2-CG 3.22Å; H1179-Y1484 AromaticContact NE2-CZ 3.74Å; Y1412-Y1484 HydrophobicContact CD1-CD2 4.47Å; Y1412-Y1484 HydrophobicContact CD1-CE2 4.04Å; Y1412-Y1484 HydrophobicContact CE1-CE2 4.03Å; Y1484-N1486 PolarHBondContact O-N 3.36Å; Y1484-N1486 PolarHBondContact O-ND2 3.06Å |
| 1485 | E | 47.3 | Very low | 45 | Very low | 144 Ų | 144 | 61.8 Ų | 61.8 | 67% | 0.673 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -72.4 | -17.3 | 177.4 | -60 | -179.3 | 128.2 | 0 | 0 | 111 | S1483 D1487 | S1483-E1485 PolarHBondContact O-N 3.32Å; E1485-D1487 VanDerWaalsContact C-N 3.28Å |
| 1486 | N | 53.1 | Low | 45.2 | Very low | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 75.6 | 5.6 | -179.8 | -41.4 | -92.3 | 0 | 0 | 0 | 114.3 | S1411 Y1412 L1416 F1482 S1483 Y1484 L1488 T1503 | S1411-N1486 VanDerWaalsContact CB-OD1 3.24Å; S1411-N1486 WeakPolarHBondContact CB-OD1 3.27Å; S1411-N1486 PolarHBondContact OG-OD1 3.41Å; Y1412-N1486 PolarHBondContact N-OD1 3.25Å; L1416-N1486 HydrophobicContact CD1-CB 3.5Å; F1482-N1486 HydrophobicContact CD1-CB 4.48Å; S1483-N1486 WeakPolarHBondContact O-CA 3.43Å; S1483-N1486 PolarHBondContact O-N 3.3Å; S1483-N1486 WeakPolarHBondContact OG-CA 3.49Å; S1483-N1486 PolarHBondContact OG-N 2.98Å; Y1484-N1486 PolarHBondContact O-N 3.36Å; Y1484-N1486 PolarHBondContact O-ND2 3.06Å; N1486-L1488 VanDerWaalsContact C-N 3.29Å; N1486-L1488 PolarHBondContact O-N 3.42Å; N1486-T1503 WeakPolarHBondContact O-CB 3.07Å; N1486-T1503 WeakPolarHBondContact O-CG2 3.14Å; N1486-T1503 PolarHBondContact O-OG1 3.5Å |
| 1487 | D | 50.7 | Low | 45.5 | Very low | 67 Ų | 67 | 57.9 Ų | 57.9 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -69 | -26.3 | 179.4 | -54.3 | -14.1 | 0 | 0 | 0 | 113 | S1483 E1485 T1503 | S1483-D1487 PolarHBondContact OG-N 2.86Å; E1485-D1487 VanDerWaalsContact C-N 3.28Å; D1487-T1503 VanDerWaalsContact CA-OG1 3.28Å; D1487-T1503 WeakPolarHBondContact CA-OG1 3.26Å; D1487-T1503 PolarHBondContact O-N 3.14Å; D1487-T1503 PolarHBondContact O-OG1 2.95Å |
| 1488 | L | 47.7 | Very low | 45.7 | Very low | 56 Ų | 56 | 57 Ų | 57 | 29% | 0.293 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.9 | 175.8 | -56.8 | 176.7 | 0 | 0 | 0 | 112 | F1482 S1483 N1486 F1490 V1500 W1501 L1509 | F1482-L1488 WeakPolarHBondContact CA-O 3.48Å; S1483-L1488 PolarHBondContact N-O 2.71Å; S1483-L1488 WeakPolarHBondContact OG-CA 3.41Å; S1483-L1488 PolarHBondContact OG-N 3.26Å; S1483-L1488 PolarHBondContact OG-O 2.76Å; N1486-L1488 VanDerWaalsContact C-N 3.29Å; N1486-L1488 PolarHBondContact O-N 3.42Å; L1488-F1490 HydrophobicContact CB-CE2 3.93Å; L1488-F1490 HydrophobicContact CB-CZ 4.13Å; L1488-F1490 HydrophobicContact CD1-CE2 4.49Å; L1488-F1490 HydrophobicContact CD1-CZ 4Å; L1488-V1500 HydrophobicContact CD2-CG1 4.41Å; L1488-W1501 CarbonylContact C-O 3.6Å; L1488-W1501 WeakPolarHBondContact CA-O 3.46Å; L1488-L1509 HydrophobicContact CD2-CD1 3.37Å |
| 1489 | L | 54.5 | Low | 46 | Very low | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.7 | 172.4 | 168.4 | 62.2 | 0 | 0 | 0 | 110 | I1434 L1445 A1480 F1482 T1491 W1501 T1503 | I1434-L1489 HydrophobicContact CD1-CD2 4.37Å; L1445-L1489 HydrophobicContact CD1-CD2 4.2Å; A1480-L1489 HydrophobicContact CB-CD1 4.38Å; F1482-L1489 HydrophobicContact CD1-CB 4.1Å; F1482-L1489 HydrophobicContact CD1-CD1 4.14Å; F1482-L1489 HydrophobicContact CD2-CD1 4.43Å; F1482-L1489 HydrophobicContact CE1-CB 4.08Å; F1482-L1489 HydrophobicContact CE1-CD1 4.04Å; F1482-L1489 HydrophobicContact CE1-CD2 4.41Å; F1482-L1489 HydrophobicContact CE1-CG 4.4Å; F1482-L1489 HydrophobicContact CE2-CD1 4.34Å; F1482-L1489 HydrophobicContact CG-CD1 4.35Å; F1482-L1489 HydrophobicContact CZ-CD1 4.16Å; L1489-T1491 HydrophobicContact CD1-CG2 4.42Å; L1489-T1491 HydrophobicContact CG-CG2 4.38Å; L1489-W1501 HydrophobicContact CB-CB 4.23Å; L1489-W1501 PolarHBondContact N-O 3.31Å; L1489-W1501 PolarHBondContact O-N 3.09Å; L1489-T1503 HydrophobicContact CB-CG2 3.94Å |
| 1490 | F | 49.8 | Very low | 46.2 | Very low | 64 Ų | 64 | 53.8 Ų | 53.8 | 28% | 0.281 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.4 | 177 | -60.9 | -85.6 | 0 | 0 | 0 | 110.4 | A1480 I1481 L1488 L1498 L1499 V1500 | A1480-F1490 WeakPolarHBondContact CA-O 3.46Å; I1481-F1490 PolarHBondContact N-O 3.03Å; I1481-F1490 WeakPolarHBondContact O-CB 3Å; I1481-F1490 PolarHBondContact O-N 3.17Å; L1488-F1490 HydrophobicContact CB-CE2 3.93Å; L1488-F1490 HydrophobicContact CB-CZ 4.13Å; L1488-F1490 HydrophobicContact CD1-CE2 4.49Å; L1488-F1490 HydrophobicContact CD1-CZ 4Å; F1490-L1498 HydrophobicContact CB-CD1 4.13Å; F1490-L1498 HydrophobicContact CD1-CD1 4.04Å; F1490-L1498 HydrophobicContact CD1-CD2 4.14Å; F1490-L1498 HydrophobicContact CD1-CG 4.35Å; F1490-L1499 CarbonylContact C-O 3.55Å; F1490-L1499 WeakPolarHBondContact CA-O 3.44Å; F1490-V1500 HydrophobicContact CD1-CB 4.42Å; F1490-V1500 HydrophobicContact CD1-CG1 4.12Å; F1490-V1500 HydrophobicContact CD1-CG2 3.83Å; F1490-V1500 HydrophobicContact CE1-CB 4.38Å; F1490-V1500 HydrophobicContact CE1-CG1 3.75Å; F1490-V1500 HydrophobicContact CE1-CG2 3.8Å; F1490-V1500 HydrophobicContact CZ-CG1 4.33Å |
| 1491 | T | 50.6 | Low | 46.2 | Very low | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.9 | 172.6 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | V1478 S1479 A1480 L1489 L1499 | V1478-T1491 HydrophobicContact CG1-CG2 4.21Å; S1479-T1491 VanDerWaalsContact O-CA 3.28Å; S1479-T1491 WeakPolarHBondContact O-CA 3.33Å; A1480-T1491 HydrophobicContact CB-CG2 4.07Å; L1489-T1491 HydrophobicContact CD1-CG2 4.42Å; L1489-T1491 HydrophobicContact CG-CG2 4.38Å; T1491-L1499 PolarHBondContact N-O 2.89Å; T1491-L1499 WeakPolarHBondContact O-CB 3.41Å; T1491-L1499 PolarHBondContact O-N 2.99Å; T1491-L1499 VanDerWaalsContact OG1-CB 3.32Å; T1491-L1499 WeakPolarHBondContact OG1-CB 3.3Å |
| 1492 | T | 45.1 | Very low | 46.5 | Very low | 40 Ų | 40 | 51.5 Ų | 51.5 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | trans | -119.1 | 167.2 | 176.4 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | V1478 S1479 F1497 L1498 | V1478-T1492 WeakPolarHBondContact CA-O 3.36Å; S1479-T1492 PolarHBondContact N-OG1 2.96Å; S1479-T1492 PolarHBondContact O-N 3.34Å; S1479-T1492 VanDerWaalsContact O-N 3.09Å; S1479-T1492 PolarHBondContact OG-OG1 3.29Å; T1492-F1497 WeakPolarHBondContact CG2-O 3.17Å; T1492-L1498 HydrophobicContact CG2-CD1 4.26Å | ||
| 1493 | G | 43.3 | Very low | 46.6 | Very low | 18 Ų | 18 | 50.6 Ų | 50.6 | 19% | 0.186 | 24% | 0.24 | C | C | . | . | trans | -150.9 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1495 C1496 | G1493-E1495 PolarHBondContact O-N 3.43Å; G1493-C1496 PolarHBondContact N-O 2.91Å | ||
| 1494 | R | 38.2 | Very low | 46.8 | Very low | 209 Ų | 209 | 56.3 Ų | 56.3 | 79% | 0.789 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -71.6 | -21.6 | -177.1 | -143.2 | 178.3 | -165.7 | -174 | 4.7 | 113.5 | ||
| 1495 | E | 35.6 | Very low | 47.2 | Very low | 117 Ų | 117 | 54.6 Ų | 54.6 | 55% | 0.547 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -127 | 2.2 | -178.8 | -72.3 | 160.2 | -146.2 | 0 | 0 | 112.4 | F1474 G1493 | F1474-E1495 HydrophobicContact CD1-CB 4.37Å; G1493-E1495 PolarHBondContact O-N 3.43Å |
| 1496 | C | 39.8 | Very low | 47 | Very low | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.7 | 169.6 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | F1474 G1493 L1499 I1512 | F1474-C1496 HydrophobicContact CB-CB 4.28Å; F1474-C1496 HydrophobicContact CD1-CB 3.69Å; F1474-C1496 HydrophobicContact CE1-CB 4.27Å; F1474-C1496 HydrophobicContact CG-CB 4.11Å; G1493-C1496 PolarHBondContact N-O 2.91Å; C1496-L1499 VanDerWaalsContact SG-CD1 3.59Å; C1496-I1512 CarbonylContact C-O 3.57Å |
| 1497 | F | 36.7 | Very low | 46.6 | Very low | 104 Ų | 104 | 50.3 Ų | 50.3 | 46% | 0.456 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -41.3 | -178.9 | 179 | -97.4 | 0 | 0 | 0 | 111.5 | L1144 T1492 I1512 | L1144-F1497 HydrophobicContact CD1-CE2 4Å; L1144-F1497 HydrophobicContact CD1-CZ 3.78Å; T1492-F1497 WeakPolarHBondContact CG2-O 3.17Å; F1497-I1512 HydrophobicContact CB-CG2 4.12Å; F1497-I1512 HydrophobicContact CD1-CB 4.49Å; F1497-I1512 HydrophobicContact CD1-CG2 3.99Å; F1497-I1512 HydrophobicContact CG-CG2 4.46Å; F1497-I1512 PolarHBondContact N-O 3.33Å |
| 1498 | L | 41.3 | Very low | 46.2 | Very low | 43 Ų | 43 | 49.1 Ų | 49.1 | 23% | 0.225 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 143.7 | 177.9 | -167.9 | 64.6 | 0 | 0 | 0 | 112.2 | F1490 T1492 V1500 I1512 | F1490-L1498 HydrophobicContact CB-CD1 4.13Å; F1490-L1498 HydrophobicContact CD1-CD1 4.04Å; F1490-L1498 HydrophobicContact CD1-CD2 4.14Å; F1490-L1498 HydrophobicContact CD1-CG 4.35Å; T1492-L1498 HydrophobicContact CG2-CD1 4.26Å; L1498-V1500 HydrophobicContact CD2-CG2 4.14Å; L1498-V1500 HydrophobicContact CG-CG2 4.25Å; L1498-I1512 HydrophobicContact CB-CB 4.31Å; L1498-I1512 HydrophobicContact CB-CD1 4.27Å; L1498-I1512 HydrophobicContact CD2-CD1 4.38Å; L1498-I1512 PolarHBondContact N-O 3.16Å; L1498-I1512 PolarHBondContact O-N 3.34Å |
| 1499 | L | 49.5 | Very low | 45.8 | Very low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.3 | 169.3 | -82.4 | 160.9 | 0 | 0 | 0 | 108.5 | R1425 F1490 T1491 C1496 K1510 I1511 | R1425-L1499 VanDerWaalsContact NH2-CD1 3.26Å; F1490-L1499 CarbonylContact C-O 3.55Å; F1490-L1499 WeakPolarHBondContact CA-O 3.44Å; T1491-L1499 PolarHBondContact N-O 2.89Å; T1491-L1499 WeakPolarHBondContact O-CB 3.41Å; T1491-L1499 PolarHBondContact O-N 2.99Å; T1491-L1499 VanDerWaalsContact OG1-CB 3.32Å; T1491-L1499 WeakPolarHBondContact OG1-CB 3.3Å; C1496-L1499 VanDerWaalsContact SG-CD1 3.59Å; L1499-K1510 WeakPolarHBondContact CA-O 3.47Å; L1499-I1511 HydrophobicContact CD2-CB 3.93Å; L1499-I1511 HydrophobicContact CD2-CD1 3.92Å; L1499-I1511 HydrophobicContact CD2-CG1 3.56Å; L1499-I1511 HydrophobicContact CD2-CG2 3.72Å; L1499-I1511 HydrophobicContact CG-CG2 4.4Å |
| 1500 | V | 47.6 | Very low | 44.9 | Very low | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.2 | -178.5 | -167.5 | 0 | 0 | 0 | 0 | 109.3 | L1488 F1490 L1498 L1509 K1510 | L1488-V1500 HydrophobicContact CD2-CG1 4.41Å; F1490-V1500 HydrophobicContact CD1-CB 4.42Å; F1490-V1500 HydrophobicContact CD1-CG1 4.12Å; F1490-V1500 HydrophobicContact CD1-CG2 3.83Å; F1490-V1500 HydrophobicContact CE1-CB 4.38Å; F1490-V1500 HydrophobicContact CE1-CG1 3.75Å; F1490-V1500 HydrophobicContact CE1-CG2 3.8Å; F1490-V1500 HydrophobicContact CZ-CG1 4.33Å; L1498-V1500 HydrophobicContact CD2-CG2 4.14Å; L1498-V1500 HydrophobicContact CG-CG2 4.25Å; V1500-L1509 HydrophobicContact CB-CB 4.43Å; V1500-L1509 HydrophobicContact CG1-CB 4.37Å; V1500-L1509 HydrophobicContact CG1-CD1 4.43Å; V1500-L1509 PolarHBondContact O-N 2.79Å; V1500-K1510 HydrophobicContact CB-CB 4.2Å; V1500-K1510 HydrophobicContact CG2-CB 4.11Å; V1500-K1510 PolarHBondContact N-O 2.73Å; V1500-K1510 PolarHBondContact O-N 3.29Å |
| 1501 | W | 53.7 | Low | 44.3 | Very low | 12 Ų | 12 | 57.2 Ų | 57.2 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.7 | 177.8 | -60.9 | 74.6 | 0 | 0 | 0 | 110.2 | F1431 L1445 L1488 L1489 H1507 I1508 | F1431-W1501 AromaticContact CD1-CH2 3.41Å; F1431-W1501 HydrophobicContact CD1-CH2 3.41Å; F1431-W1501 VanDerWaalsContact CD1-CH2 3.41Å; F1431-W1501 AromaticContact CD1-CZ2 3.56Å; F1431-W1501 HydrophobicContact CD1-CZ2 3.56Å; F1431-W1501 HydrophobicContact CD1-CZ3 4.13Å; F1431-W1501 AromaticContact CE1-CH2 3.88Å; F1431-W1501 HydrophobicContact CE1-CH2 3.88Å; F1431-W1501 AromaticContact CE1-CZ2 3.48Å; F1431-W1501 HydrophobicContact CE1-CZ2 3.48Å; F1431-W1501 VanDerWaalsContact CE1-CZ2 3.48Å; F1431-W1501 HydrophobicContact CG-CH2 4.16Å; F1431-W1501 HydrophobicContact CZ-CZ2 4.41Å; L1445-W1501 HydrophobicContact CB-CZ3 4.31Å; L1445-W1501 HydrophobicContact CD2-CE3 4.32Å; L1488-W1501 CarbonylContact C-O 3.6Å; L1488-W1501 WeakPolarHBondContact CA-O 3.46Å; L1489-W1501 HydrophobicContact CB-CB 4.23Å; L1489-W1501 PolarHBondContact N-O 3.31Å; L1489-W1501 PolarHBondContact O-N 3.09Å; W1501-H1507 CarbonylContact C-O 3.47Å; W1501-H1507 WeakPolarHBondContact CA-O 3.47Å; W1501-I1508 HydrophobicContact CD2-CG1 3.87Å; W1501-I1508 HydrophobicContact CE3-CG1 3.66Å; W1501-I1508 HydrophobicContact CH2-CD1 3.73Å; W1501-I1508 HydrophobicContact CH2-CG1 3.45Å; W1501-I1508 VanDerWaalsContact CH2-CG1 3.45Å; W1501-I1508 HydrophobicContact CZ2-CD1 3.86Å; W1501-I1508 HydrophobicContact CZ2-CG1 3.65Å; W1501-I1508 HydrophobicContact CZ3-CD1 4.22Å; W1501-I1508 HydrophobicContact CZ3-CG1 3.46Å; W1501-I1508 VanDerWaalsContact CZ3-CG1 3.46Å |
| 1502 | S | 52.6 | Low | 43.4 | Very low | 13 Ų | 13 | 60.3 Ų | 60.3 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.6 | 166.6 | 170.5 | 0 | 0 | 0 | 0 | 109.6 | M1504 T1505 G1506 H1507 | S1502-M1504 PolarHBondContact OG-N 3.14Å; S1502-T1505 WeakPolarHBondContact CB-OG1 3.46Å; S1502-T1505 PolarHBondContact OG-N 3.13Å; S1502-T1505 PolarHBondContact OG-OG1 3.22Å; S1502-G1506 CarbonylContact O-C 3.58Å; S1502-G1506 WeakPolarHBondContact O-CA 3.48Å; S1502-G1506 PolarHBondContact O-N 2.63Å; S1502-H1507 PolarHBondContact N-O 2.96Å |
| 1503 | T | 54.3 | Low | 42.7 | Very low | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -25.4 | 171.8 | 65.6 | 0 | 0 | 0 | 0 | 112 | I1434 I1443 F1482 N1486 D1487 L1489 | I1434-T1503 HydrophobicContact CD1-CG2 3.82Å; I1443-T1503 WeakPolarHBondContact CD1-O 3.28Å; F1482-T1503 HydrophobicContact CD1-CG2 3.94Å; F1482-T1503 HydrophobicContact CE1-CG2 3.74Å; N1486-T1503 WeakPolarHBondContact O-CB 3.07Å; N1486-T1503 WeakPolarHBondContact O-CG2 3.14Å; N1486-T1503 PolarHBondContact O-OG1 3.5Å; D1487-T1503 VanDerWaalsContact CA-OG1 3.28Å; D1487-T1503 WeakPolarHBondContact CA-OG1 3.26Å; D1487-T1503 PolarHBondContact O-N 3.14Å; D1487-T1503 PolarHBondContact O-OG1 2.95Å; L1489-T1503 HydrophobicContact CB-CG2 3.94Å |
| 1504 | M | 48 | Very low | 41.9 | Very low | 146 Ų | 146 | 67.2 Ų | 67.2 | 72% | 0.719 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -28.8 | 176.4 | -71.2 | -153.3 | 71.6 | 0 | 0 | 113.4 | S1502 | S1502-M1504 PolarHBondContact OG-N 3.14Š|
| 1505 | T | 52.9 | Low | 41.3 | Very low | 75 Ų | 75 | 60.9 Ų | 60.9 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -11.3 | 179.4 | 64 | 0 | 0 | 0 | 0 | 113.5 | S1502 H1507 | S1502-T1505 WeakPolarHBondContact CB-OG1 3.46Å; S1502-T1505 PolarHBondContact OG-N 3.13Å; S1502-T1505 PolarHBondContact OG-OG1 3.22Å; T1505-H1507 PolarHBondContact O-CE1 3.3Å; T1505-H1507 PolarHBondContact O-N 3.19Å; T1505-H1507 PolarHBondContact O-ND1 3.15Å; T1505-H1507 PolarHBondContact O-NE2 3.21Å |
| 1506 | G | 41.8 | Very low | 41 | Very low | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | 75.6 | -5.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1446 S1502 | Q1446-G1506 PolarHBondContact N-O 2.91Å; S1502-G1506 CarbonylContact O-C 3.58Å; S1502-G1506 WeakPolarHBondContact O-CA 3.48Å; S1502-G1506 PolarHBondContact O-N 2.63Å | ||
| 1507 | H | 44.6 | Very low | 40.3 | Very low | 59 Ų | 59 | 64.6 Ų | 64.6 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -90.8 | 158.9 | -170.6 | -51.8 | -35 | 0 | 0 | 0 | 114.3 | Q1446 W1501 S1502 T1505 | Q1446-H1507 PolarHBondContact O-ND1 2.81Å; W1501-H1507 CarbonylContact C-O 3.47Å; W1501-H1507 WeakPolarHBondContact CA-O 3.47Å; S1502-H1507 PolarHBondContact N-O 2.96Å; T1505-H1507 PolarHBondContact O-CE1 3.3Å; T1505-H1507 PolarHBondContact O-N 3.19Å; T1505-H1507 PolarHBondContact O-ND1 3.15Å; T1505-H1507 PolarHBondContact O-NE2 3.21Å | ||
| 1508 | I | 43 | Very low | 39.6 | Very low | 41 Ų | 41 | 69.2 Ų | 69.2 | 21% | 0.21 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.7 | 169.3 | -55.8 | 179.5 | 0 | 0 | 0 | 109.6 | L1447 T1471 W1501 I1511 | L1447-I1508 HydrophobicContact CD2-CD1 3.77Å; L1447-I1508 HydrophobicContact CD2-CG1 4.16Å; T1471-I1508 HydrophobicContact CG2-CD1 4.19Å; W1501-I1508 HydrophobicContact CD2-CG1 3.87Å; W1501-I1508 HydrophobicContact CE3-CG1 3.66Å; W1501-I1508 HydrophobicContact CH2-CD1 3.73Å; W1501-I1508 HydrophobicContact CH2-CG1 3.45Å; W1501-I1508 VanDerWaalsContact CH2-CG1 3.45Å; W1501-I1508 HydrophobicContact CZ2-CD1 3.86Å; W1501-I1508 HydrophobicContact CZ2-CG1 3.65Å; W1501-I1508 HydrophobicContact CZ3-CD1 4.22Å; W1501-I1508 HydrophobicContact CZ3-CG1 3.46Å; W1501-I1508 VanDerWaalsContact CZ3-CG1 3.46Å; I1508-I1511 HydrophobicContact CG2-CG1 4.23Å |
| 1509 | L | 39.7 | Very low | 38.8 | Very low | 102 Ų | 102 | 70.8 Ų | 70.8 | 53% | 0.534 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -32.7 | 174.1 | -65.4 | 173.5 | 0 | 0 | 0 | 113.1 | L1488 V1500 | L1488-L1509 HydrophobicContact CD2-CD1 3.37Å; V1500-L1509 HydrophobicContact CB-CB 4.43Å; V1500-L1509 HydrophobicContact CG1-CB 4.37Å; V1500-L1509 HydrophobicContact CG1-CD1 4.43Å; V1500-L1509 PolarHBondContact O-N 2.79Å |
| 1510 | K | 35 | Very low | 37.5 | Very low | 132 Ų | 132 | 78.5 Ų | 78.5 | 57% | 0.574 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 148.2 | -179.8 | -157.8 | 153.9 | -175.2 | 163.3 | 0 | 114 | L1499 V1500 | L1499-K1510 WeakPolarHBondContact CA-O 3.47Å; V1500-K1510 HydrophobicContact CB-CB 4.2Å; V1500-K1510 HydrophobicContact CG2-CB 4.11Å; V1500-K1510 PolarHBondContact N-O 2.73Å; V1500-K1510 PolarHBondContact O-N 3.29Å |
| 1511 | I | 36.7 | Very low | 36.3 | Very low | 58 Ų | 58 | 85.8 Ų | 85.8 | 30% | 0.297 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.6 | 170.5 | -43.3 | -164.7 | 0 | 0 | 0 | 108.8 | T1471 L1499 I1508 | T1471-I1511 HydrophobicContact CG2-CD1 4.13Å; L1499-I1511 HydrophobicContact CD2-CB 3.93Å; L1499-I1511 HydrophobicContact CD2-CD1 3.92Å; L1499-I1511 HydrophobicContact CD2-CG1 3.56Å; L1499-I1511 HydrophobicContact CD2-CG2 3.72Å; L1499-I1511 HydrophobicContact CG-CG2 4.4Å; I1508-I1511 HydrophobicContact CG2-CG1 4.23Å |
| 1512 | I | 33.2 | Very low | 34.8 | Very low | 67 Ų | 67 | 90.6 Ų | 90.6 | 34% | 0.344 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 114.9 | 172.4 | -56.6 | 176.7 | 0 | 0 | 0 | 108.3 | C1496 F1497 L1498 | C1496-I1512 CarbonylContact C-O 3.57Å; F1497-I1512 HydrophobicContact CB-CG2 4.12Å; F1497-I1512 HydrophobicContact CD1-CB 4.49Å; F1497-I1512 HydrophobicContact CD1-CG2 3.99Å; F1497-I1512 HydrophobicContact CG-CG2 4.46Å; F1497-I1512 PolarHBondContact N-O 3.33Å; L1498-I1512 HydrophobicContact CB-CB 4.31Å; L1498-I1512 HydrophobicContact CB-CD1 4.27Å; L1498-I1512 HydrophobicContact CD2-CD1 4.38Å; L1498-I1512 PolarHBondContact N-O 3.16Å; L1498-I1512 PolarHBondContact O-N 3.34Å |
| 1513 | A | 30.5 | Very low | 33.3 | Very low | 33 Ų | 33 | 93.5 Ų | 93.5 | 27% | 0.273 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 164.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F1474 | F1474-A1513 HydrophobicContact CE1-CB 4.4Å |
| 1514 | Q | 25.7 | Very low | 31.9 | Very low | 169 Ų | 169 | 100.7 Ų | 100.7 | 79% | 0.79 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -92.4 | 102 | 178.7 | -175.9 | 174.3 | -7.3 | 0 | 0 | 111.1 | ||
| 1515 | G | 26.4 | Very low | 30.6 | Very low | 77 Ų | 77 | 98.7 Ų | 98.7 | 79% | 0.794 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 114.5 | -1.7 | 165 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1516 | C | 27.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 101.5 Ų | 101.5 | 72% | 0.716 | 62% | 0.617 | S | S | * | * | trans | -83.2 | 124.6 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1517 | A | 24.5 | Very low | 28.7 | Very low | 92 Ų | 92 | 107.1 Ų | 107.1 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | trans | -73.4 | -179.3 | 145.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1518 | E | 23.7 | Very low | 27.7 | Very low | 200 Ų | 200 | 109.8 Ų | 109.8 | 94% | 0.935 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -66.9 | 141.3 | -177 | -61.6 | 166.6 | 150.9 | 0 | 0 | 111.9 | ||
| 1519 | G | 23.2 | Very low | 26.7 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 106.5 | 115.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1520 | I | 23 | Very low | 26 | Very low | 163 Ų | 163 | 118.1 Ų | 118.1 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | -68.2 | 128.3 | -179.9 | -62.4 | 159.1 | 0 | 0 | 0 | 111.9 | ||||
| 1521 | L | 22 | Very low | 25.5 | Very low | 173 Ų | 173 | 117.1 Ų | 117.1 | 91% | 0.906 | 73% | 0.728 | S | S | * | * | trans | -148.9 | 150.7 | 158.5 | -88.7 | 177.7 | 0 | 0 | 0 | 110.2 | ||||
| 1522 | S | 21.8 | Very low | 24.7 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -142.7 | 148.4 | -165.1 | 55.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1523 | G | 22.5 | Very low | 24.3 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 90.7 | 146.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1524 | L | 23.2 | Very low | 23.8 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | cis | -146.5 | 174.1 | 7.3 | -90.7 | 164.8 | 0 | 0 | 0 | 111 | ||||
| 1525 | S | 21.6 | Very low | 23.6 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -157.7 | 170.8 | 171.6 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1526 | V | 25.8 | Very low | 23.4 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | cis | -132.4 | -141.7 | 14.8 | -132.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1527 | P | 29.6 | Very low | 23 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | cis | -124.2 | -158.7 | -15.3 | 43.4 | -26 | 0 | 0 | 0 | 113.2 | ||||
| 1528 | S | 22.9 | Very low | 22.8 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -148.6 | 147.2 | 162.4 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1529 | L | 22.7 | Very low | 22.8 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | trans | -78.9 | 152.1 | 174 | -98.8 | 66.3 | 0 | 0 | 0 | 112.5 | T1531 | L1529-T1531 HydrophobicContact CD2-CG2 4.22Š| ||
| 1530 | D | 23.6 | Very low | 22.8 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -127.9 | 140.7 | 152.1 | -103 | -41.4 | 0 | 0 | 0 | 108.6 | ||||
| 1531 | T | 24.8 | Very low | 22.7 | Very low | 112 Ų | 112 | 138 Ų | 138 | 69% | 0.687 | 82% | 0.82 | S | S | * | * | trans | -131.5 | 109.1 | -173.5 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | L1529 L1533 | L1529-T1531 HydrophobicContact CD2-CG2 4.22Å; T1531-L1533 PolarHBondContact O-N 3.4Å | ||
| 1532 | D | 20.4 | Very low | 22.7 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -78.3 | 109.2 | 159.4 | -99.9 | -34.7 | 0 | 0 | 0 | 109 | ||||
| 1533 | L | 25.4 | Very low | 22.8 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -141.4 | 133.3 | 168.5 | -145.7 | 85 | 0 | 0 | 0 | 112.1 | T1531 | T1531-L1533 PolarHBondContact O-N 3.4Š| ||
| 1534 | G | 19.7 | Very low | 22.7 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | -101.6 | 128.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1535 | M | 21 | Very low | 22.7 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 80% | 0.803 | 81% | 0.814 | S | S | * | * | trans | 68.6 | 140.7 | 141.4 | -91.5 | -162.3 | 178.1 | 0 | 0 | 123 | ||||
| 1536 | T | 21.2 | Very low | 22.9 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 64.8 | 115.3 | 156.8 | 59.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1537 | T | 21.4 | Very low | 22.7 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | -158.5 | 177.8 | 65.7 | 33.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1538 | K | 20.5 | Very low | 22.5 | Very low | 199 Ų | 199 | 133 Ų | 133 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | -91.5 | 123.9 | -177 | -56.5 | 167.2 | -177 | 171.1 | 0 | 111.8 | ||||
| 1539 | T | 21.6 | Very low | 22.5 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | -175.9 | 156.5 | 119.7 | 26.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1540 | S | 24.2 | Very low | 22.6 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -92.1 | 117.9 | -174.2 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1541 | I | 21.2 | Very low | 22.6 | Very low | 170 Ų | 170 | 124 Ų | 124 | 87% | 0.872 | 73% | 0.726 | S | S | * | * | trans | -125.3 | 135.7 | 150.1 | -65 | -178.3 | 0 | 0 | 0 | 107.1 | ||||
| 1542 | K | 22.1 | Very low | 22.6 | Very low | 207 Ų | 207 | 122.4 Ų | 122.4 | 90% | 0.9 | 72% | 0.719 | S | S | * | * | trans | -101.3 | 139 | 168 | -69.8 | -179.6 | 173.9 | -175.8 | 0 | 107.9 | ||||
| 1543 | G | 22.6 | Very low | 22.9 | Very low | 74 Ų | 74 | 117.8 Ų | 117.8 | 76% | 0.763 | 70% | 0.697 | S | S | * | * | trans | 136.4 | 58.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1544 | T | 21.3 | Very low | 22.9 | Very low | 132 Ų | 132 | 114.2 Ų | 114.2 | 81% | 0.81 | 68% | 0.678 | S | S | * | * | trans | -143.1 | 120.2 | 154.4 | 35.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1545 | T | 23.4 | Very low | 23.3 | Very low | 114 Ų | 114 | 114 Ų | 114 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | -151.8 | 135.1 | 176 | 51 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1546 | N | 24.6 | Very low | 23.5 | Very low | 117 Ų | 117 | 110.5 Ų | 110.5 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | 99.1 | 19.4 | 156.8 | -49.4 | -32.5 | 0 | 0 | 0 | 121.5 | S1548 D1792 | N1546-S1548 VanDerWaalsContact C-N 3.34Å; N1546-S1548 VanDerWaalsContact O-CB 3.29Å; N1546-S1548 WeakPolarHBondContact O-CB 3.49Å; N1546-S1548 PolarHBondContact O-N 2.94Å; N1546-S1548 PolarHBondContact O-OG 3.24Å; N1546-D1792 WeakPolarHBondContact CB-OD2 3.5Å | ||
| 1547 | S | 23.3 | Very low | 23.9 | Very low | 86 Ų | 86 | 107.4 Ų | 107.4 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | trans | -56.7 | 95.9 | 162 | 44.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1548 | S | 25.4 | Very low | 24.2 | Very low | 40 Ų | 40 | 103.2 Ų | 103.2 | 28% | 0.28 | 60% | 0.599 | S | S | . | * | trans | -111.6 | 91.8 | -161.9 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | N1546 T1550 K1585 | N1546-S1548 VanDerWaalsContact C-N 3.34Å; N1546-S1548 VanDerWaalsContact O-CB 3.29Å; N1546-S1548 WeakPolarHBondContact O-CB 3.49Å; N1546-S1548 PolarHBondContact O-N 2.94Å; N1546-S1548 PolarHBondContact O-OG 3.24Å; S1548-T1550 PolarHBondContact O-N 3.45Å; S1548-K1585 VanDerWaalsContact O-CE 3.22Å; S1548-K1585 WeakPolarHBondContact O-CE 3.38Å; S1548-K1585 PolarHBondContact O-NZ 3.42Å; S1548-K1585 PolarHBondContact OG-NZ 2.91Å | ||
| 1549 | M | 22.9 | Very low | 24.6 | Very low | 179 Ų | 179 | 99.4 Ų | 99.4 | 88% | 0.882 | 58% | 0.582 | S | S | * | * | trans | -44.5 | 133.9 | -172 | -70.3 | -168.9 | 166.9 | 0 | 0 | 113.6 | ||||
| 1550 | T | 24.1 | Very low | 25 | Very low | 30 Ų | 30 | 95 Ų | 95 | 18% | 0.184 | 56% | 0.556 | C | S | . | * | trans | -113.8 | 129.2 | -179.3 | 44.7 | 0 | 0 | 0 | 0 | 111.3 | S1548 K1585 P1788 F1790 | S1548-T1550 PolarHBondContact O-N 3.45Å; T1550-K1585 HydrophobicContact CG2-CD 3.8Å; T1550-P1788 PolarHBondContact OG1-O 3.31Å; T1550-F1790 HydrophobicContact CG2-CB 3.95Å; T1550-F1790 HydrophobicContact CG2-CD2 3.77Å; T1550-F1790 HydrophobicContact CG2-CG 4.3Å; T1550-F1790 PolarHBondContact OG1-N 2.87Å | ||
| 1551 | G | 23.1 | Very low | 25.3 | Very low | 34 Ų | 34 | 93.2 Ų | 93.2 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | trans | -165.5 | 164 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V1584 | G1551-V1584 WeakPolarHBondContact O-CG2 3.45Å; G1551-V1584 PolarHBondContact O-N 2.98Å; G1551-V1584 VanDerWaalsContact O-N 3.15Å | ||
| 1552 | S | 25.6 | Very low | 25.7 | Very low | 79 Ų | 79 | 90 Ų | 90 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.3 | -178.5 | -55.6 | 0 | 0 | 0 | 0 | 109.8 | F1582 | S1552-F1582 CarbonylContact C-O 3.58Å; S1552-F1582 WeakPolarHBondContact CA-O 3.36Å; S1552-F1582 VanDerWaalsContact CB-O 3.25Å; S1552-F1582 WeakPolarHBondContact CB-O 3.42Å |
| 1553 | V | 25.9 | Very low | 25.9 | Very low | 72 Ų | 72 | 84.4 Ų | 84.4 | 44% | 0.436 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.3 | -174.8 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | I1581 F1582 | V1553-I1581 CarbonylContact O-C 3.56Å; V1553-I1581 VanDerWaalsContact O-CA 3.28Å; V1553-I1581 WeakPolarHBondContact O-CA 3.43Å; V1553-F1582 PolarHBondContact N-O 3.45Å; V1553-F1582 PolarHBondContact O-N 3.16Å |
| 1554 | L | 25.7 | Very low | 26 | Very low | 100 Ų | 100 | 85.7 Ų | 85.7 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.1 | -170.7 | -169.9 | 77.7 | 0 | 0 | 0 | 110.6 | I1556 C1579 I1581 | L1554-I1556 HydrophobicContact CD2-CD1 4.37Å; L1554-C1579 WeakPolarHBondContact CD1-SG 3.15Å; L1554-C1579 VanDerWaalsContact CG-SG 3.55Å; L1554-I1581 HydrophobicContact CD1-CD1 3.71Å; L1554-I1581 HydrophobicContact CD1-CG1 3.38Å |
| 1555 | V | 27.8 | Very low | 26.2 | Very low | 68 Ų | 68 | 83.9 Ų | 83.9 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 137.1 | -179.9 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | C1579 K1580 | V1555-C1579 CarbonylContact O-C 3.54Å; V1555-C1579 VanDerWaalsContact O-CA 3.29Å; V1555-C1579 WeakPolarHBondContact O-CA 3.25Å; V1555-K1580 PolarHBondContact N-O 3.22Å; V1555-K1580 PolarHBondContact O-N 2.96Å |
| 1556 | I | 26.1 | Very low | 26.3 | Very low | 88 Ų | 88 | 85 Ų | 85 | 45% | 0.451 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 138.7 | -173.9 | -63.1 | 169.1 | 0 | 0 | 0 | 108.9 | L1554 I1577 M1578 C1579 | L1554-I1556 HydrophobicContact CD2-CD1 4.37Å; I1556-I1577 HydrophobicContact CG2-CG2 4.07Å; I1556-M1578 WeakPolarHBondContact CG2-O 3.38Å; I1556-C1579 HydrophobicContact CD1-CB 4.43Å; I1556-C1579 HydrophobicContact CG1-CB 3.76Å; I1556-C1579 WeakPolarHBondContact CG1-SG 3.37Å |
| 1557 | C | 29.2 | Very low | 26.3 | Very low | 57 Ų | 57 | 89.1 Ų | 89.1 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 175.9 | 176.1 | -34.8 | 0 | 0 | 0 | 0 | 113.2 | L1761 | C1557-L1761 HydrophobicContact CB-CD1 3.46Å; C1557-L1761 VanDerWaalsContact CB-CD1 3.46Å; C1557-L1761 HydrophobicContact CB-CG 3.89Å; C1557-L1761 WeakPolarHBondContact O-CG 3.46Å |
| 1558 | H | 27.4 | Very low | 26.4 | Very low | 58 Ų | 58 | 90 Ų | 90 | 27% | 0.269 | 51% | 0.509 | S | S | . | . | trans | -150 | 143.3 | -167.8 | -62.3 | -76.8 | 0 | 0 | 0 | 116.7 | I1577 Y1757 P1759 N1760 | H1558-I1577 VanDerWaalsContact CE1-CG2 3.46Å; H1558-I1577 WeakPolarHBondContact CE1-CG2 3.33Å; H1558-Y1757 VanDerWaalsContact CE1-C 3.48Å; H1558-Y1757 PolarHBondContact CE1-O 3.28Å; H1558-Y1757 PolarHBondContact NE2-O 2.99Å; H1558-P1759 CarbonylContact C-O 3.55Å; H1558-P1759 WeakPolarHBondContact CA-O 3.19Å; H1558-P1759 WeakPolarHBondContact CB-O 3.18Å; H1558-P1759 PolarHBondContact ND1-O 3.08Å; H1558-N1760 CarbonylContact C-O 3.52Å; H1558-N1760 WeakPolarHBondContact CA-O 3.21Å | ||
| 1559 | F | 30.3 | Very low | 26.5 | Very low | 118 Ų | 118 | 97.9 Ų | 97.9 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | trans | -151.1 | 159.2 | 169.4 | -21.1 | -69.9 | 0 | 0 | 0 | 111.8 | P1759 N1760 L1761 | F1559-P1759 PolarHBondContact N-O 3.3Å; F1559-P1759 VanDerWaalsContact N-O 3.12Å; F1559-P1759 CarbonylContact O-C 3.55Å; F1559-P1759 WeakPolarHBondContact O-CA 3.36Å; F1559-P1759 WeakPolarHBondContact O-CB 3.27Å; F1559-P1759 VanDerWaalsContact O-CG 3.3Å; F1559-P1759 WeakPolarHBondContact O-CG 3.18Å; F1559-N1760 HydrophobicContact CB-CB 3.97Å; F1559-N1760 HydrophobicContact CD2-CB 3.73Å; F1559-N1760 VanDerWaalsContact CD2-O 3.26Å; F1559-N1760 WeakPolarHBondContact CD2-O 3.31Å; F1559-N1760 HydrophobicContact CG-CB 4.21Å; F1559-N1760 PolarHBondContact N-O 3.37Å; F1559-N1760 VanDerWaalsContact O-CA 3.29Å; F1559-N1760 WeakPolarHBondContact O-CA 3.44Å; F1559-N1760 WeakPolarHBondContact O-CB 3.5Å; F1559-N1760 PolarHBondContact O-N 3Å; F1559-N1760 PolarHBondContact O-ND2 2.97Å; F1559-N1760 PolarHBondContact O-OD1 2.85Å; F1559-L1761 HydrophobicContact CD2-CD2 4.44Å; F1559-L1761 HydrophobicContact CE2-CD2 3.49Å; F1559-L1761 VanDerWaalsContact CE2-CD2 3.49Å; F1559-L1761 HydrophobicContact CZ-CD2 3.52Å | ||
| 1560 | P | 29.4 | Very low | 26.5 | Very low | 56 Ų | 56 | 92.4 Ų | 92.4 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | trans | -86.9 | 161.7 | 170.8 | 33.7 | -32.9 | 0 | 0 | 0 | 114 | T1562 N1760 | P1560-T1562 HydrophobicContact CG-CG2 4.37Å; P1560-N1760 PolarHBondContact O-ND2 2.75Å; P1560-N1760 VanDerWaalsContact O-ND2 3.09Å | ||
| 1561 | D | 29.4 | Very low | 26.6 | Very low | 79 Ų | 79 | 95.7 Ų | 95.7 | 42% | 0.422 | 54% | 0.542 | S | S | . | . | trans | -88.8 | 122.8 | 164.9 | 177.5 | 13.6 | 0 | 0 | 0 | 110 | S1563 F1576 N1760 | D1561-S1563 VanDerWaalsContact OD1-CB 3.23Å; D1561-S1563 WeakPolarHBondContact OD1-CB 3.5Å; D1561-S1563 PolarHBondContact OD1-N 3.5Å; D1561-S1563 PolarHBondContact OD1-OG 3.43Å; D1561-S1563 PolarHBondContact OD2-OG 3.17Å; D1561-F1576 HydrophobicContact CB-CE2 4.46Å; D1561-N1760 PolarHBondContact N-ND2 3.48Å | ||
| 1562 | T | 29.4 | Very low | 26.7 | Very low | 102 Ų | 102 | 99.3 Ų | 99.3 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | trans | -112.1 | 12.3 | -177.4 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | P1560 | P1560-T1562 HydrophobicContact CG-CG2 4.37Š| ||
| 1563 | S | 27.9 | Very low | 26.8 | Very low | 90 Ų | 90 | 102.1 Ų | 102.1 | 63% | 0.629 | 56% | 0.558 | S | S | * | * | trans | -83.1 | -20.5 | -171.2 | 67.1 | 0 | 0 | 0 | 0 | 115.2 | D1561 | D1561-S1563 VanDerWaalsContact OD1-CB 3.23Å; D1561-S1563 WeakPolarHBondContact OD1-CB 3.5Å; D1561-S1563 PolarHBondContact OD1-N 3.5Å; D1561-S1563 PolarHBondContact OD1-OG 3.43Å; D1561-S1563 PolarHBondContact OD2-OG 3.17Å | ||
| 1564 | T | 23.6 | Very low | 26.8 | Very low | 100 Ų | 100 | 101.4 Ų | 101.4 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -91 | 128.4 | 175.8 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | Q1566 | T1564-Q1566 PolarHBondContact O-N 3.24Š|
| 1565 | P | 25.8 | Very low | 26.9 | Very low | 94 Ų | 94 | 100.8 Ų | 100.8 | 61% | 0.61 | 56% | 0.556 | S | S | * | * | trans | -67.2 | 123.2 | -173.8 | -21.7 | 33.4 | 0 | 0 | 0 | 113 | Y1567 | P1565-Y1567 VanDerWaalsContact C-N 3.26Å; P1565-Y1567 HydrophobicContact CB-CD2 4.26Å; P1565-Y1567 HydrophobicContact CB-CE2 4.41Å; P1565-Y1567 PolarHBondContact O-N 3.34Å | ||
| 1566 | Q | 26 | Very low | 27.2 | Very low | 137 Ų | 137 | 99.9 Ų | 99.9 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | trans | -75.3 | 65.1 | -172.9 | -65.3 | -176.4 | -5.5 | 0 | 0 | 114 | T1564 | T1564-Q1566 PolarHBondContact O-N 3.24Š| ||
| 1567 | Y | 24.5 | Very low | 27.4 | Very low | 204 Ų | 204 | 98.8 Ų | 98.8 | 80% | 0.8 | 54% | 0.54 | S | S | * | . | trans | -84.2 | 121.1 | 160.8 | -71.3 | -79.4 | 0 | 0 | 0 | 109.6 | P1565 | P1565-Y1567 VanDerWaalsContact C-N 3.26Å; P1565-Y1567 HydrophobicContact CB-CD2 4.26Å; P1565-Y1567 HydrophobicContact CB-CE2 4.41Å; P1565-Y1567 PolarHBondContact O-N 3.34Å | ||
| 1568 | S | 25 | Very low | 27.4 | Very low | 106 Ų | 106 | 97.4 Ų | 97.4 | 74% | 0.741 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 78.1 | 80.8 | 175.5 | 71.1 | 0 | 0 | 0 | 0 | 119.5 | S1570 | S1568-S1570 VanDerWaalsContact C-N 3.32Å; S1568-S1570 PolarHBondContact O-N 3.19Å |
| 1569 | E | 26.9 | Very low | 27.4 | Very low | 204 Ų | 204 | 97.4 Ų | 97.4 | 95% | 0.953 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 49.3 | -4.5 | 131.3 | -61.3 | -166.6 | 158.3 | 0 | 0 | 123.6 | ||
| 1570 | S | 24.3 | Very low | 27.3 | Very low | 64 Ų | 64 | 95.8 Ų | 95.8 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | trans | -153.9 | 73.6 | 166.8 | 68.1 | 0 | 0 | 0 | 0 | 115.5 | S1568 D1572 | S1568-S1570 VanDerWaalsContact C-N 3.32Å; S1568-S1570 PolarHBondContact O-N 3.19Å; S1570-D1572 PolarHBondContact O-N 3.03Å | ||
| 1571 | P | 25.5 | Very low | 27.1 | Very low | 99 Ų | 99 | 98.2 Ų | 98.2 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | trans | -74.3 | 37.3 | 170.2 | 34.5 | -36.8 | 0 | 0 | 0 | 113.1 | Q1573 | P1571-Q1573 PolarHBondContact O-N 3.29Š| ||
| 1572 | D | 25.1 | Very low | 27.1 | Very low | 110 Ų | 110 | 101 Ų | 101 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | trans | -78.1 | 36 | 174.9 | -149.6 | 57.2 | 0 | 0 | 0 | 110.5 | S1570 R1649 | S1570-D1572 PolarHBondContact O-N 3.03Å; D1572-R1649 IonicContact OD2-NH1 3.25Å | ||
| 1573 | Q | 27.8 | Very low | 27.1 | Very low | 138 Ų | 138 | 100.5 Ų | 100.5 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -137.9 | 88.8 | -164.2 | -60.9 | -170.8 | 3 | 0 | 0 | 110.1 | P1571 | P1571-Q1573 PolarHBondContact O-N 3.29Š|
| 1574 | A | 26.2 | Very low | 27.1 | Very low | 58 Ų | 58 | 99.6 Ų | 99.6 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | trans | 91.4 | 133.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | V1646 | A1574-V1646 HydrophobicContact CB-CG1 4.49Š| ||
| 1575 | M | 27.8 | Very low | 27.2 | Very low | 87 Ų | 87 | 97.9 Ų | 97.9 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | trans | -157.4 | 163.5 | -176.9 | -63 | 173.8 | 75.5 | 0 | 0 | 108.7 | L1758 P1759 | M1575-L1758 HydrophobicContact CE-CB 3.85Å; M1575-P1759 HydrophobicContact CB-CB 4.01Å; M1575-P1759 HydrophobicContact CE-CB 3.84Å; M1575-P1759 HydrophobicContact CE-CG 3.79Å; M1575-P1759 HydrophobicContact CG-CB 4.2Å | ||
| 1576 | F | 34 | Very low | 27.6 | Very low | 49 Ų | 49 | 97.2 Ų | 97.2 | 22% | 0.215 | 51% | 0.51 | C | S | . | . | trans | -142.8 | 161.6 | -164.5 | -49.6 | -115.5 | 0 | 0 | 0 | 113.6 | D1561 V1644 L1758 P1759 N1760 | D1561-F1576 HydrophobicContact CB-CE2 4.46Å; F1576-V1644 HydrophobicContact CD1-CB 4.38Å; F1576-V1644 HydrophobicContact CD1-CG1 3.37Å; F1576-V1644 HydrophobicContact CD1-CG2 4Å; F1576-V1644 HydrophobicContact CE1-CG1 3.84Å; F1576-V1644 HydrophobicContact CE1-CG2 4.46Å; F1576-V1644 HydrophobicContact CG-CG1 4.35Å; F1576-L1758 PolarHBondContact N-O 2.71Å; F1576-L1758 CarbonylContact O-C 3.6Å; F1576-P1759 CarbonylContact O-C 3.6Å; F1576-P1759 WeakPolarHBondContact O-CA 3.46Å; F1576-P1759 VanDerWaalsContact O-O 3.14Å; F1576-N1760 WeakPolarHBondContact CD2-OD1 3.33Å; F1576-N1760 PolarHBondContact O-N 2.82Å | ||
| 1577 | I | 29.6 | Very low | 27.8 | Very low | 64 Ų | 64 | 94.3 Ų | 94.3 | 33% | 0.328 | 50% | 0.499 | S | S | . | . | trans | -155.8 | 127 | 175.9 | -44.8 | 171.3 | 0 | 0 | 0 | 115.4 | I1556 H1558 L1758 L1761 Y1762 | I1556-I1577 HydrophobicContact CG2-CG2 4.07Å; H1558-I1577 VanDerWaalsContact CE1-CG2 3.46Å; H1558-I1577 WeakPolarHBondContact CE1-CG2 3.33Å; I1577-L1758 HydrophobicContact CD1-CD2 3.76Å; I1577-L1758 HydrophobicContact CD1-CG 3.86Å; I1577-L1758 HydrophobicContact CG1-CD2 4.22Å; I1577-L1758 HydrophobicContact CG1-CG 4.45Å; I1577-L1761 CarbonylContact C-O 3.59Å; I1577-Y1762 VanDerWaalsContact C-CE2 3.43Å; I1577-Y1762 WeakPolarHBondContact O-CE2 3.25Å; I1577-Y1762 PolarHBondContact O-OH 3.2Å | ||
| 1578 | M | 28.7 | Very low | 28 | Very low | 28 Ų | 28 | 93.4 Ų | 93.4 | 14% | 0.138 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 159.9 | 168 | 124.4 | 173.1 | 102.6 | 0 | 0 | 116.7 | I1556 L1761 Y1762 V1763 | I1556-M1578 WeakPolarHBondContact CG2-O 3.38Å; M1578-L1761 HydrophobicContact CB-CB 3.43Å; M1578-L1761 VanDerWaalsContact CB-CB 3.43Å; M1578-L1761 HydrophobicContact CE-CB 3.65Å; M1578-L1761 HydrophobicContact CE-CD1 3.91Å; M1578-L1761 HydrophobicContact CE-CD2 3.76Å; M1578-L1761 HydrophobicContact CE-CG 4Å; M1578-L1761 HydrophobicContact CG-CB 3.46Å; M1578-L1761 VanDerWaalsContact CG-CB 3.46Å; M1578-L1761 HydrophobicContact CG-CD1 3.79Å; M1578-L1761 HydrophobicContact CG-CG 4.27Å; M1578-L1761 PolarHBondContact N-O 3.26Å; M1578-L1761 VanDerWaalsContact N-O 3.16Å; M1578-L1761 HydrophobicContact SD-CB 4.26Å; M1578-Y1762 HydrophobicContact CB-CD1 3.47Å; M1578-Y1762 VanDerWaalsContact CB-CD1 3.47Å; M1578-Y1762 HydrophobicContact CB-CD2 4.42Å; M1578-Y1762 HydrophobicContact CB-CE1 3.95Å; M1578-Y1762 HydrophobicContact CB-CG 3.76Å; M1578-V1763 HydrophobicContact CE-CG2 4.33Å; M1578-V1763 VanDerWaalsContact CE-N 3.25Å; M1578-V1763 WeakPolarHBondContact CE-O 3.23Å; M1578-V1763 PolarHBondContact SD-N 2.81Å |
| 1579 | C | 29.5 | Very low | 28.1 | Very low | 59 Ų | 59 | 94.5 Ų | 94.5 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.6 | 178.2 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | L1554 V1555 I1556 | L1554-C1579 WeakPolarHBondContact CD1-SG 3.15Å; L1554-C1579 VanDerWaalsContact CG-SG 3.55Å; V1555-C1579 CarbonylContact O-C 3.54Å; V1555-C1579 VanDerWaalsContact O-CA 3.29Å; V1555-C1579 WeakPolarHBondContact O-CA 3.25Å; I1556-C1579 HydrophobicContact CD1-CB 4.43Å; I1556-C1579 HydrophobicContact CG1-CB 3.76Å; I1556-C1579 WeakPolarHBondContact CG1-SG 3.37Å |
| 1580 | K | 26.4 | Very low | 28.3 | Very low | 84 Ų | 84 | 87.6 Ų | 87.6 | 37% | 0.365 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 161.1 | 171.6 | -165.5 | 156.1 | -175.8 | 157.9 | 0 | 113.1 | V1555 | V1555-K1580 PolarHBondContact N-O 3.22Å; V1555-K1580 PolarHBondContact O-N 2.96Å |
| 1581 | I | 26.3 | Very low | 28.6 | Very low | 107 Ų | 107 | 89.1 Ų | 89.1 | 55% | 0.549 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 147.3 | -168.5 | -63.3 | 172 | 0 | 0 | 0 | 113.5 | V1553 L1554 | V1553-I1581 CarbonylContact O-C 3.56Å; V1553-I1581 VanDerWaalsContact O-CA 3.28Å; V1553-I1581 WeakPolarHBondContact O-CA 3.43Å; L1554-I1581 HydrophobicContact CD1-CD1 3.71Å; L1554-I1581 HydrophobicContact CD1-CG1 3.38Å |
| 1582 | F | 29 | Very low | 28.8 | Very low | 136 Ų | 136 | 89.3 Ų | 89.3 | 60% | 0.596 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 161.1 | 173.8 | -65.7 | -79.7 | 0 | 0 | 0 | 114.3 | S1552 V1553 | S1552-F1582 CarbonylContact C-O 3.58Å; S1552-F1582 WeakPolarHBondContact CA-O 3.36Å; S1552-F1582 VanDerWaalsContact CB-O 3.25Å; S1552-F1582 WeakPolarHBondContact CB-O 3.42Å; V1553-F1582 PolarHBondContact N-O 3.45Å; V1553-F1582 PolarHBondContact O-N 3.16Å |
| 1583 | N | 28.4 | Very low | 28.8 | Very low | 92 Ų | 92 | 93.3 Ų | 93.3 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.2 | -178.4 | -179.5 | -30.2 | 0 | 0 | 0 | 112.9 | K1585 | N1583-K1585 PolarHBondContact O-N 3.46Å; N1583-K1585 PolarHBondContact OD1-N 3.07Å |
| 1584 | V | 29.1 | Very low | 28.9 | Very low | 71 Ų | 71 | 91.4 Ų | 91.4 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -66.5 | -28.2 | -173.6 | 175.6 | 0 | 0 | 0 | 0 | 114.4 | G1551 S1586 L1587 | G1551-V1584 WeakPolarHBondContact O-CG2 3.45Å; G1551-V1584 PolarHBondContact O-N 2.98Å; G1551-V1584 VanDerWaalsContact O-N 3.15Å; V1584-S1586 PolarHBondContact O-N 3.27Å; V1584-L1587 PolarHBondContact O-N 3.06Å; V1584-L1587 VanDerWaalsContact O-N 3.11Å |
| 1585 | K | 26.5 | Very low | 29.2 | Very low | 65 Ų | 65 | 90.3 Ų | 90.3 | 28% | 0.283 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -68 | -5.1 | -175.8 | -88.5 | -175.2 | 172.5 | 172.6 | 0 | 114.7 | S1548 T1550 N1583 L1587 | S1548-K1585 VanDerWaalsContact O-CE 3.22Å; S1548-K1585 WeakPolarHBondContact O-CE 3.38Å; S1548-K1585 PolarHBondContact O-NZ 3.42Å; S1548-K1585 PolarHBondContact OG-NZ 2.91Å; T1550-K1585 HydrophobicContact CG2-CD 3.8Å; N1583-K1585 PolarHBondContact O-N 3.46Å; N1583-K1585 PolarHBondContact OD1-N 3.07Å; K1585-L1587 VanDerWaalsContact C-N 3.28Å |
| 1586 | S | 33.8 | Very low | 29.1 | Very low | 79 Ų | 79 | 87.4 Ų | 87.4 | 55% | 0.552 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -76.9 | -8.7 | 170.9 | -68.3 | 0 | 0 | 0 | 0 | 114.4 | V1584 | V1584-S1586 PolarHBondContact O-N 3.27Š|
| 1587 | L | 30.3 | Very low | 28.8 | Very low | 76 Ų | 76 | 89.9 Ų | 89.9 | 40% | 0.398 | 45% | 0.445 | S | S | . | . | trans | -104.8 | 126.6 | 179.7 | -58.7 | 173.7 | 0 | 0 | 0 | 111.1 | V1584 K1585 L1623 | V1584-L1587 PolarHBondContact O-N 3.06Å; V1584-L1587 VanDerWaalsContact O-N 3.11Å; K1585-L1587 VanDerWaalsContact C-N 3.28Å; L1587-L1623 HydrophobicContact CB-CB 4.2Å; L1587-L1623 HydrophobicContact CB-CD1 4.01Å; L1587-L1623 HydrophobicContact CB-CD2 4.41Å; L1587-L1623 HydrophobicContact CB-CG 4.44Å; L1587-L1623 HydrophobicContact CD1-CD1 4.33Å | ||
| 1588 | R | 27.2 | Very low | 29 | Very low | 186 Ų | 186 | 89.3 Ų | 89.3 | 70% | 0.702 | 46% | 0.455 | S | S | * | . | B | Isolated β-bridge | trans | -142.8 | 157.3 | 173.9 | -81.3 | -167.1 | 169.7 | -171.9 | -4.2 | 113.2 | ||
| 1589 | K | 28.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 89.9 Ų | 89.9 | 56% | 0.557 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 150.1 | 174.6 | -70.3 | -174.6 | 174 | -178.5 | 0 | 111.2 | A1619 L1623 | K1589-A1619 PolarHBondContact NZ-O 3.5Å; K1589-L1623 HydrophobicContact CG-CD2 4Å |
| 1590 | P | 30.6 | Very low | 28.8 | Very low | 60 Ų | 60 | 91.5 Ų | 91.5 | 39% | 0.39 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 161.4 | -176.1 | 27.5 | -35.6 | 0 | 0 | 0 | 114.3 | ||
| 1591 | D | 30.3 | Very low | 29.1 | Very low | 96 Ų | 96 | 95 Ų | 95 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 137.7 | -175.4 | -179.7 | 9.1 | 0 | 0 | 0 | 113 | R1593 L1594 A1595 | D1591-R1593 PolarHBondContact O-N 3.44Å; D1591-R1593 VanDerWaalsContact O-N 3.13Å; D1591-R1593 PolarHBondContact OD1-N 3.32Å; D1591-L1594 PolarHBondContact O-N 2.8Å; D1591-A1595 PolarHBondContact O-N 3.46Å |
| 1592 | K | 29.3 | Very low | 29.1 | Very low | 103 Ų | 103 | 98.8 Ų | 98.8 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53.8 | -29.4 | 172.6 | -141.1 | 174 | -171.8 | 174.6 | 0 | 111.8 | V1596 E1615 A1618 | K1592-V1596 WeakPolarHBondContact O-CB 3.4Å; K1592-V1596 WeakPolarHBondContact O-CG2 3.49Å; K1592-V1596 PolarHBondContact O-N 3.44Å; K1592-E1615 IonicContact NZ-OE1 3.25Å; K1592-E1615 PolarHBondContact NZ-OE1 3.31Å; K1592-A1618 HydrophobicContact CG-CB 4.47Å |
| 1593 | R | 24.5 | Very low | 28.9 | Very low | 194 Ų | 194 | 101.4 Ų | 101.4 | 73% | 0.732 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -76.1 | -25.5 | 174.6 | -126.6 | 179.6 | -170.7 | 171.3 | 2.8 | 114.5 | D1591 L1597 | D1591-R1593 PolarHBondContact O-N 3.44Å; D1591-R1593 VanDerWaalsContact O-N 3.13Å; D1591-R1593 PolarHBondContact OD1-N 3.32Å; R1593-L1597 WeakPolarHBondContact O-CB 3.43Å; R1593-L1597 WeakPolarHBondContact O-CG 3.33Å; R1593-L1597 PolarHBondContact O-N 3.08Å |
| 1594 | L | 31.3 | Very low | 28.7 | Very low | 98 Ų | 98 | 101.2 Ų | 101.2 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -80.7 | -36.9 | 169.6 | -91.3 | 164.2 | 0 | 0 | 0 | 111.6 | D1591 V1596 L1597 G1598 W1626 | D1591-L1594 PolarHBondContact O-N 2.8Å; L1594-V1596 VanDerWaalsContact C-N 3.3Å; L1594-V1596 PolarHBondContact O-N 3.16Å; L1594-L1597 PolarHBondContact O-N 3.12Å; L1594-G1598 PolarHBondContact O-N 2.8Å; L1594-W1626 HydrophobicContact CD1-CH2 4.37Å; L1594-W1626 HydrophobicContact CD1-CZ2 4.43Å |
| 1595 | A | 31.5 | Very low | 28.4 | Very low | 35 Ų | 35 | 104.5 Ų | 104.5 | 29% | 0.289 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1591 G1598 S1599 A1618 | D1591-A1595 PolarHBondContact O-N 3.46Å; A1595-G1598 PolarHBondContact O-N 3.38Å; A1595-S1599 PolarHBondContact O-N 3.13Å; A1595-A1618 HydrophobicContact CB-CB 3.83Å |
| 1596 | V | 26 | Very low | 28.3 | Very low | 25 Ų | 25 | 108 Ų | 108 | 15% | 0.152 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -76.5 | -30.4 | 177 | 168.4 | 0 | 0 | 0 | 0 | 113 | K1592 L1594 G1598 S1599 Q1600 I1614 | K1592-V1596 WeakPolarHBondContact O-CB 3.4Å; K1592-V1596 WeakPolarHBondContact O-CG2 3.49Å; K1592-V1596 PolarHBondContact O-N 3.44Å; L1594-V1596 VanDerWaalsContact C-N 3.3Å; L1594-V1596 PolarHBondContact O-N 3.16Å; V1596-G1598 VanDerWaalsContact C-N 3.33Å; V1596-S1599 WeakPolarHBondContact CA-OG 3.43Å; V1596-S1599 CarbonylContact O-C 3.14Å; V1596-S1599 PolarHBondContact O-N 3.17Å; V1596-S1599 PolarHBondContact O-OG 3.04Å; V1596-S1599 VanDerWaalsContact O-OG 3.1Å; V1596-Q1600 VanDerWaalsContact CG1-CD 3.42Å; V1596-Q1600 HydrophobicContact CG1-CG 3.87Å; V1596-Q1600 WeakPolarHBondContact O-CB 3.37Å; V1596-Q1600 VanDerWaalsContact O-CG 3.24Å; V1596-Q1600 WeakPolarHBondContact O-CG 3.37Å; V1596-Q1600 PolarHBondContact O-N 2.71Å; V1596-I1614 HydrophobicContact CG2-CG2 3.87Å |
| 1597 | L | 26.7 | Very low | 27.9 | Very low | 101 Ų | 101 | 110.5 Ų | 110.5 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.4 | -33.9 | 167.4 | -81.8 | 164.8 | 0 | 0 | 0 | 111.6 | R1593 L1594 S1599 Q1600 L1601 | R1593-L1597 WeakPolarHBondContact O-CB 3.43Å; R1593-L1597 WeakPolarHBondContact O-CG 3.33Å; R1593-L1597 PolarHBondContact O-N 3.08Å; L1594-L1597 PolarHBondContact O-N 3.12Å; L1597-S1599 PolarHBondContact O-N 3.15Å; L1597-Q1600 PolarHBondContact O-N 2.74Å; L1597-L1601 PolarHBondContact O-N 3.05Å; L1597-L1601 VanDerWaalsContact O-N 3.14Å |
| 1598 | G | 35.4 | Very low | 27.6 | Very low | 52 Ų | 52 | 114.9 Ų | 114.9 | 54% | 0.536 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.5 | -28.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1594 A1595 V1596 | L1594-G1598 PolarHBondContact O-N 2.8Å; A1595-G1598 PolarHBondContact O-N 3.38Å; V1596-G1598 VanDerWaalsContact C-N 3.33Å |
| 1599 | S | 29.8 | Very low | 27.5 | Very low | 40 Ų | 40 | 113.6 Ų | 113.6 | 28% | 0.28 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -95.4 | -24.1 | 172.7 | 71.8 | 0 | 0 | 0 | 0 | 114.4 | A1595 V1596 L1597 F1602 | A1595-S1599 PolarHBondContact O-N 3.13Å; V1596-S1599 WeakPolarHBondContact CA-OG 3.43Å; V1596-S1599 CarbonylContact O-C 3.14Å; V1596-S1599 PolarHBondContact O-N 3.17Å; V1596-S1599 PolarHBondContact O-OG 3.04Å; V1596-S1599 VanDerWaalsContact O-OG 3.1Å; L1597-S1599 PolarHBondContact O-N 3.15Å; S1599-F1602 WeakPolarHBondContact O-CB 3.44Å; S1599-F1602 PolarHBondContact O-N 3.14Å; S1599-F1602 VanDerWaalsContact O-N 3.15Å |
| 1600 | Q | 23.7 | Very low | 27.2 | Very low | 94 Ų | 94 | 114.3 Ų | 114.3 | 44% | 0.439 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -89.1 | 0.7 | -179.8 | -73.2 | -179 | -13.2 | 0 | 0 | 114.3 | V1596 L1597 F1602 | V1596-Q1600 VanDerWaalsContact CG1-CD 3.42Å; V1596-Q1600 HydrophobicContact CG1-CG 3.87Å; V1596-Q1600 WeakPolarHBondContact O-CB 3.37Å; V1596-Q1600 VanDerWaalsContact O-CG 3.24Å; V1596-Q1600 WeakPolarHBondContact O-CG 3.37Å; V1596-Q1600 PolarHBondContact O-N 2.71Å; L1597-Q1600 PolarHBondContact O-N 2.74Å; Q1600-F1602 PolarHBondContact O-N 2.94Å |
| 1601 | L | 31.6 | Very low | 27 | Very low | 157 Ų | 157 | 119.3 Ų | 119.3 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -11.3 | 152.4 | -80.4 | 167.9 | 0 | 0 | 0 | 112.4 | L1597 Y1603 | L1597-L1601 PolarHBondContact O-N 3.05Å; L1597-L1601 VanDerWaalsContact O-N 3.14Å; L1601-Y1603 PolarHBondContact O-N 2.83Å |
| 1602 | F | 27.3 | Very low | 26.7 | Very low | 186 Ų | 186 | 122.5 Ų | 122.5 | 82% | 0.816 | 64% | 0.642 | S | S | * | * | trans | -86.5 | 82.7 | 158.3 | -68.2 | -84.7 | 0 | 0 | 0 | 111.6 | S1599 Q1600 | S1599-F1602 WeakPolarHBondContact O-CB 3.44Å; S1599-F1602 PolarHBondContact O-N 3.14Å; S1599-F1602 VanDerWaalsContact O-N 3.15Å; Q1600-F1602 PolarHBondContact O-N 2.94Å | ||
| 1603 | Y | 25 | Very low | 26.5 | Very low | 192 Ų | 192 | 123.6 Ų | 123.6 | 75% | 0.753 | 65% | 0.652 | S | S | * | * | trans | -125.3 | 114.5 | 157.5 | -108.1 | -75.5 | 0 | 0 | 0 | 109.3 | L1601 | L1601-Y1603 PolarHBondContact O-N 2.83Š| ||
| 1604 | A | 23.2 | Very low | 26.5 | Very low | 88 Ų | 88 | 119.9 Ų | 119.9 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | -169.3 | 93.8 | 149 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1605 | D | 24 | Very low | 26.2 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | trans | 71.9 | 112.9 | 140.7 | -50.3 | -7.6 | 0 | 0 | 0 | 121.4 | ||||
| 1606 | D | 24.2 | Very low | 26 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | 73 | 76.3 | 124.1 | -69.1 | 9 | 0 | 0 | 0 | 121.1 | |||||
| 1607 | N | 24.5 | Very low | 25.9 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | 171.4 | 148.3 | 90.5 | -96.1 | -79.6 | 0 | 0 | 0 | 115.9 | |||||
| 1608 | Q | 25 | Very low | 25.9 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | 65.9 | 85.8 | 154.3 | -66.3 | 174.8 | 37.4 | 0 | 0 | 120.4 | ||||
| 1609 | N | 25 | Very low | 25.4 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | trans | 40.4 | 97.2 | 131.2 | -60.9 | -2.5 | 0 | 0 | 0 | 120.7 | ||||
| 1610 | T | 23 | Very low | 25.2 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | -146.6 | 140.4 | 128.7 | 14.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 1611 | N | 26.8 | Very low | 25.4 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 88% | 0.877 | 71% | 0.707 | S | S | * | * | trans | -80.6 | 128.3 | -177.5 | -61.3 | -27.9 | 0 | 0 | 0 | 111.2 | ||||
| 1612 | L | 23.6 | Very low | 25.2 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | trans | -132.6 | 151.7 | 161.8 | -85.7 | 170.1 | 0 | 0 | 0 | 109.8 | ||||
| 1613 | N | 25 | Very low | 25.1 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 67% | 0.674 | 69% | 0.685 | S | S | * | * | trans | -76.9 | 133.1 | -164.2 | -71.6 | -34.3 | 0 | 0 | 0 | 112.9 | E1615 | N1613-E1615 PolarHBondContact O-N 2.66Å; N1613-E1615 VanDerWaalsContact O-N 3.09Å | ||
| 1614 | I | 24.2 | Very low | 25.3 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 60% | 0.6 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 10.7 | 179.1 | -64.2 | 163.9 | 0 | 0 | 0 | 111.8 | V1596 | V1596-I1614 HydrophobicContact CG2-CG2 3.87Š|
| 1615 | E | 25.7 | Very low | 25.7 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 58% | 0.584 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -29.5 | -170.1 | -54.9 | -132.1 | 85.6 | 0 | 0 | 114.1 | K1592 N1613 | K1592-E1615 IonicContact NZ-OE1 3.25Å; K1592-E1615 PolarHBondContact NZ-OE1 3.31Å; N1613-E1615 PolarHBondContact O-N 2.66Å; N1613-E1615 VanDerWaalsContact O-N 3.09Å |
| 1616 | E | 26.2 | Very low | 25.8 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 77% | 0.771 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -83.2 | -25.7 | -170.3 | -66.9 | 174.9 | 137.9 | 0 | 0 | 113.9 | A1618 | E1616-A1618 PolarHBondContact O-N 3.38Š|
| 1617 | I | 24.9 | Very low | 26.1 | Very low | 146 Ų | 146 | 116.3 Ų | 116.3 | 75% | 0.749 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -77.3 | -5.4 | -173.7 | -63.1 | 175.9 | 0 | 0 | 0 | 112.8 | ||
| 1618 | A | 25.6 | Very low | 26.3 | Very low | 38 Ų | 38 | 113.4 Ų | 113.4 | 31% | 0.314 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -102.7 | 0.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.9 | K1592 A1595 E1616 | K1592-A1618 HydrophobicContact CG-CB 4.47Å; A1595-A1618 HydrophobicContact CB-CB 3.83Å; E1616-A1618 PolarHBondContact O-N 3.38Å |
| 1619 | A | 25.6 | Very low | 26.4 | Very low | 63 Ų | 63 | 111.2 Ų | 111.2 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -84.1 | -23.8 | -160.7 | 0 | 0 | 0 | 0 | 0 | 117 | K1589 | K1589-A1619 PolarHBondContact NZ-O 3.5Š|
| 1620 | G | 25.8 | Very low | 26.3 | Very low | 76 Ų | 76 | 107.4 Ų | 107.4 | 78% | 0.784 | 61% | 0.607 | S | S | * | * | trans | -100.2 | 7.8 | -158.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1621 | G | 27.3 | Very low | 26.6 | Very low | 29 Ų | 29 | 103.7 Ų | 103.7 | 30% | 0.299 | 59% | 0.587 | S | S | . | * | trans | -74.7 | 149.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1622 | P | 27.9 | Very low | 26.6 | Very low | 102 Ų | 102 | 102.1 Ų | 102.1 | 66% | 0.662 | 58% | 0.578 | S | S | * | * | trans | -65.9 | 160.5 | 174.8 | 29.3 | -35.6 | 0 | 0 | 0 | 112.3 | V1624 | P1622-V1624 PolarHBondContact O-N 3.3Š| ||
| 1623 | L | 25.6 | Very low | 26.9 | Very low | 96 Ų | 96 | 100.8 Ų | 100.8 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | trans | -74 | 110.4 | 174 | -65.8 | 170 | 0 | 0 | 0 | 109.4 | L1587 K1589 | L1587-L1623 HydrophobicContact CB-CB 4.2Å; L1587-L1623 HydrophobicContact CB-CD1 4.01Å; L1587-L1623 HydrophobicContact CB-CD2 4.41Å; L1587-L1623 HydrophobicContact CB-CG 4.44Å; L1587-L1623 HydrophobicContact CD1-CD1 4.33Å; K1589-L1623 HydrophobicContact CG-CD2 4Å | ||
| 1624 | V | 29.3 | Very low | 27 | Very low | 68 Ų | 68 | 100.1 Ų | 100.1 | 41% | 0.412 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -93.5 | 131.8 | 179.9 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | P1622 W1626 | P1622-V1624 PolarHBondContact O-N 3.3Å; V1624-W1626 PolarHBondContact O-N 3Å |
| 1625 | Y | 30.6 | Very low | 27.3 | Very low | 155 Ų | 155 | 99.6 Ų | 99.6 | 61% | 0.608 | 56% | 0.558 | S | S | * | * | trans | -72.5 | 107 | 170.5 | 178.9 | -94 | 0 | 0 | 0 | 109.7 | S1627 | Y1625-S1627 PolarHBondContact O-N 3.33Š| ||
| 1626 | W | 25.7 | Very low | 27.4 | Very low | 129 Ų | 129 | 102 Ų | 102 | 49% | 0.489 | 57% | 0.567 | S | S | . | * | trans | -91.7 | 89.6 | 179.1 | -86.2 | 64 | 0 | 0 | 0 | 111.1 | L1594 V1624 A1628 | L1594-W1626 HydrophobicContact CD1-CH2 4.37Å; L1594-W1626 HydrophobicContact CD1-CZ2 4.43Å; V1624-W1626 PolarHBondContact O-N 3Å; W1626-A1628 HydrophobicContact CE3-CB 4.38Å; W1626-A1628 PolarHBondContact O-N 3.25Å | ||
| 1627 | S | 31.5 | Very low | 27.4 | Very low | 78 Ų | 78 | 101.9 Ų | 101.9 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -61.3 | -25 | 173 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | Y1625 N1629 M1630 | Y1625-S1627 PolarHBondContact O-N 3.33Å; S1627-N1629 PolarHBondContact O-N 2.73Å; S1627-M1630 PolarHBondContact O-N 2.86Å |
| 1628 | A | 29.2 | Very low | 27.5 | Very low | 72 Ų | 72 | 99.1 Ų | 99.1 | 60% | 0.595 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -63.5 | -1.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | W1626 | W1626-A1628 HydrophobicContact CE3-CB 4.38Å; W1626-A1628 PolarHBondContact O-N 3.25Å |
| 1629 | N | 25.3 | Very low | 27.6 | Very low | 122 Ų | 122 | 99.2 Ų | 99.2 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -114.2 | 19.2 | 178.4 | -69.8 | -40.5 | 0 | 0 | 0 | 113.4 | S1627 | S1627-N1629 PolarHBondContact O-N 2.73Š|
| 1630 | M | 24.3 | Very low | 27.7 | Very low | 77 Ų | 77 | 99.1 Ų | 99.1 | 38% | 0.379 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -124.6 | 137.6 | 169.3 | -81.6 | 149.9 | 53 | 0 | 0 | 108.9 | S1627 Y1634 V1635 | S1627-M1630 PolarHBondContact O-N 2.86Å; M1630-Y1634 HydrophobicContact CE-CD1 3.7Å; M1630-Y1634 HydrophobicContact CE-CE1 4.41Å; M1630-Y1634 HydrophobicContact CE-CG 4.37Å; M1630-Y1634 HydrophobicContact CG-CD1 4.37Å; M1630-Y1634 HydrophobicContact CG-CG 4.3Å; M1630-Y1634 HydrophobicContact SD-CD1 4.35Å; M1630-V1635 HydrophobicContact CE-CG2 4.37Å |
| 1631 | S | 28.3 | Very low | 27.9 | Very low | 66 Ų | 66 | 97.7 Ų | 97.7 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | trans | -73.5 | 158.8 | 164.6 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | E1633 Y1634 | S1631-E1633 WeakPolarHBondContact CB-OE2 2.87Å; S1631-E1633 PolarHBondContact O-N 3.39Å; S1631-E1633 PolarHBondContact OG-OE2 3.05Å; S1631-Y1634 PolarHBondContact O-N 2.72Å; S1631-Y1634 VanDerWaalsContact O-N 3.12Å | ||
| 1632 | I | 27.6 | Very low | 28.2 | Very low | 132 Ų | 132 | 96.6 Ų | 96.6 | 68% | 0.677 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -22.7 | -177.8 | -71.4 | 171 | 0 | 0 | 0 | 111.7 | Y1634 V1635 F1636 | I1632-Y1634 VanDerWaalsContact C-N 3.32Å; I1632-Y1634 PolarHBondContact O-N 3.04Å; I1632-V1635 WeakPolarHBondContact O-CB 3.27Å; I1632-V1635 PolarHBondContact O-N 3Å; I1632-F1636 HydrophobicContact CG2-CD2 4.42Å; I1632-F1636 PolarHBondContact O-N 3.39Å |
| 1633 | E | 28.9 | Very low | 28.5 | Very low | 135 Ų | 135 | 93.5 Ų | 93.5 | 63% | 0.631 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.5 | -39.3 | 174 | -60.7 | 128.9 | 152.9 | 0 | 0 | 112.2 | S1631 V1635 F1636 E1637 | S1631-E1633 WeakPolarHBondContact CB-OE2 2.87Å; S1631-E1633 PolarHBondContact O-N 3.39Å; S1631-E1633 PolarHBondContact OG-OE2 3.05Å; E1633-V1635 PolarHBondContact O-N 3.04Å; E1633-F1636 PolarHBondContact O-N 2.85Å; E1633-E1637 PolarHBondContact O-N 2.84Å |
| 1634 | Y | 27.7 | Very low | 29 | Very low | 111 Ų | 111 | 89.1 Ų | 89.1 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -20.6 | 176.4 | -157.4 | -74.6 | 0 | 0 | 0 | 112.3 | M1630 S1631 I1632 F1636 | M1630-Y1634 HydrophobicContact CE-CD1 3.7Å; M1630-Y1634 HydrophobicContact CE-CE1 4.41Å; M1630-Y1634 HydrophobicContact CE-CG 4.37Å; M1630-Y1634 HydrophobicContact CG-CD1 4.37Å; M1630-Y1634 HydrophobicContact CG-CG 4.3Å; M1630-Y1634 HydrophobicContact SD-CD1 4.35Å; S1631-Y1634 PolarHBondContact O-N 2.72Å; S1631-Y1634 VanDerWaalsContact O-N 3.12Å; I1632-Y1634 VanDerWaalsContact C-N 3.32Å; I1632-Y1634 PolarHBondContact O-N 3.04Å; Y1634-F1636 VanDerWaalsContact C-N 3.35Å |
| 1635 | V | 30 | Very low | 29.1 | Very low | 107 Ų | 107 | 89.6 Ų | 89.6 | 65% | 0.648 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -80.7 | -19.1 | 175.4 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | M1630 I1632 E1633 | M1630-V1635 HydrophobicContact CE-CG2 4.37Å; I1632-V1635 WeakPolarHBondContact O-CB 3.27Å; I1632-V1635 PolarHBondContact O-N 3Å; E1633-V1635 PolarHBondContact O-N 3.04Å |
| 1636 | F | 29.3 | Very low | 29.3 | Very low | 174 Ų | 174 | 83.8 Ų | 83.8 | 76% | 0.763 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -101.9 | -28.7 | 178.6 | -96.5 | -84.1 | 0 | 0 | 0 | 114.3 | I1632 E1633 Y1634 | I1632-F1636 HydrophobicContact CG2-CD2 4.42Å; I1632-F1636 PolarHBondContact O-N 3.39Å; E1633-F1636 PolarHBondContact O-N 2.85Å; Y1634-F1636 VanDerWaalsContact C-N 3.35Å |
| 1637 | E | 25.7 | Very low | 29.6 | Very low | 163 Ų | 163 | 81.4 Ų | 81.4 | 76% | 0.762 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -103.6 | 3.8 | -172.9 | -75.6 | -162.6 | 160.2 | 0 | 0 | 116.8 | E1633 G1639 | E1633-E1637 PolarHBondContact O-N 2.84Å; E1637-G1639 PolarHBondContact O-N 3.03Å |
| 1638 | D | 25.9 | Very low | 29.6 | Very low | 89 Ų | 89 | 82.3 Ų | 82.3 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -77.8 | 60.9 | 157.3 | -155 | -0.6 | 0 | 0 | 0 | 108.3 | L1640 S1766 | D1638-L1640 WeakPolarHBondContact O-CD1 3.33Å; D1638-L1640 WeakPolarHBondContact O-CG 3.47Å; D1638-S1766 PolarHBondContact OD1-OG 3.37Å |
| 1639 | G | 29.4 | Very low | 29.6 | Very low | 40 Ų | 40 | 84.7 Ų | 84.7 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | trans | -116.1 | 148.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1637 S1766 | E1637-G1639 PolarHBondContact O-N 3.03Å; G1639-S1766 WeakPolarHBondContact O-CA 3.13Å; G1639-S1766 WeakPolarHBondContact O-CB 3.23Å | ||
| 1640 | L | 26.7 | Very low | 29.8 | Very low | 60 Ų | 60 | 86.3 Ų | 86.3 | 31% | 0.314 | 44% | 0.439 | S | S | . | . | trans | -161 | 158.5 | -135.4 | -44.3 | 132.7 | 0 | 0 | 0 | 108.7 | D1638 P1764 T1765 | D1638-L1640 WeakPolarHBondContact O-CD1 3.33Å; D1638-L1640 WeakPolarHBondContact O-CG 3.47Å; L1640-P1764 VanDerWaalsContact C-CB 3.48Å; L1640-P1764 VanDerWaalsContact C-CG 3.43Å; L1640-P1764 HydrophobicContact CB-CB 3.49Å; L1640-P1764 VanDerWaalsContact CB-CB 3.49Å; L1640-P1764 HydrophobicContact CB-CG 3.43Å; L1640-P1764 VanDerWaalsContact CB-CG 3.43Å; L1640-P1764 HydrophobicContact CD1-CG 4.48Å; L1640-P1764 WeakPolarHBondContact CD2-O 3.3Å; L1640-P1764 WeakPolarHBondContact O-CG 3.46Å; L1640-T1765 WeakPolarHBondContact CA-O 3.42Å; L1640-T1765 WeakPolarHBondContact CB-O 3.48Å; L1640-T1765 VanDerWaalsContact CD2-C 3.48Å | ||
| 1641 | S | 29 | Very low | 30 | Very low | 46 Ų | 46 | 91.3 Ų | 91.3 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | cis | 120.4 | 71 | -19.9 | 177.8 | 0 | 0 | 0 | 0 | 117.9 | D1665 P1764 T1765 | S1641-D1665 WeakPolarHBondContact CA-OD2 3.44Å; S1641-D1665 PolarHBondContact N-OD2 2.78Å; S1641-P1764 CarbonylContact O-C 3.33Å; S1641-P1764 WeakPolarHBondContact O-CB 3.36Å; S1641-T1765 VanDerWaalsContact CA-O 3.3Å; S1641-T1765 WeakPolarHBondContact CA-O 3.36Å; S1641-T1765 PolarHBondContact O-N 2.86Å; S1641-T1765 PolarHBondContact O-OG1 3.36Å |
| 1642 | T | 35.5 | Very low | 29.8 | Very low | 6 Ų | 6 | 96.6 Ų | 96.6 | 4% | 0.037 | 48% | 0.479 | C | S | . | . | trans | -100.6 | -171.8 | -166.9 | -157.1 | 0 | 0 | 0 | 0 | 117.4 | D1663 L1664 D1665 Y1762 V1763 | T1642-D1663 WeakPolarHBondContact CG2-OD1 3.18Å; T1642-L1664 HydrophobicContact CG2-CB 3.86Å; T1642-D1665 VanDerWaalsContact CB-OD2 3.31Å; T1642-D1665 WeakPolarHBondContact CB-OD2 3.34Å; T1642-D1665 HydrophobicContact CG2-CB 4.18Å; T1642-D1665 WeakPolarHBondContact CG2-OD2 3.48Å; T1642-D1665 PolarHBondContact N-OD2 2.85Å; T1642-Y1762 VanDerWaalsContact OG1-C 3.32Å; T1642-Y1762 PolarHBondContact OG1-O 2.99Å; T1642-V1763 HydrophobicContact CG2-CG1 4.24Å; T1642-V1763 WeakPolarHBondContact OG1-CA 3.48Å; T1642-V1763 PolarHBondContact OG1-N 3.13Å | ||
| 1643 | L | 33.1 | Very low | 29.6 | Very low | 38 Ų | 38 | 101.3 Ų | 101.3 | 20% | 0.199 | 49% | 0.488 | C | S | . | . | trans | -155.3 | 172 | 174.6 | -69.6 | -179 | 0 | 0 | 0 | 111.6 | L1661 Y1662 I1672 Y1762 I1770 | L1643-L1661 HydrophobicContact CD2-CD2 4.25Å; L1643-Y1662 CarbonylContact C-O 3.58Å; L1643-Y1662 VanDerWaalsContact C-O 3.26Å; L1643-Y1662 VanDerWaalsContact CA-O 3.29Å; L1643-Y1662 WeakPolarHBondContact CA-O 3.46Å; L1643-I1672 HydrophobicContact CD2-CD1 3.59Å; L1643-Y1762 HydrophobicContact CB-CE1 3.88Å; L1643-Y1762 WeakPolarHBondContact O-CB 3.24Å; L1643-Y1762 WeakPolarHBondContact O-CD1 3.39Å; L1643-Y1762 WeakPolarHBondContact O-CD2 3.5Å; L1643-Y1762 WeakPolarHBondContact O-CE1 3.49Å; L1643-Y1762 WeakPolarHBondContact O-CE2 3.47Å; L1643-I1770 HydrophobicContact CD1-CD1 3.77Å; L1643-I1770 HydrophobicContact CG-CD1 4.33Å | ||
| 1644 | V | 35.4 | Very low | 29.4 | Very low | 3 Ų | 3 | 102.2 Ų | 102.2 | 2% | 0.018 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 140.4 | 166 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | F1576 V1646 L1661 Y1662 L1664 Y1762 | F1576-V1644 HydrophobicContact CD1-CB 4.38Å; F1576-V1644 HydrophobicContact CD1-CG1 3.37Å; F1576-V1644 HydrophobicContact CD1-CG2 4Å; F1576-V1644 HydrophobicContact CE1-CG1 3.84Å; F1576-V1644 HydrophobicContact CE1-CG2 4.46Å; F1576-V1644 HydrophobicContact CG-CG1 4.35Å; V1644-V1646 HydrophobicContact CG1-CG2 3.73Å; V1644-L1661 CarbonylContact O-C 3.46Å; V1644-L1661 VanDerWaalsContact O-CA 3.25Å; V1644-L1661 WeakPolarHBondContact O-CA 3.36Å; V1644-L1661 WeakPolarHBondContact O-CD1 3.48Å; V1644-Y1662 PolarHBondContact N-O 3.49Å; V1644-Y1662 PolarHBondContact O-N 3.1Å; V1644-L1664 HydrophobicContact CG2-CD1 3.62Å; V1644-L1664 HydrophobicContact CG2-CG 3.99Å; V1644-Y1762 VanDerWaalsContact CA-CE2 3.48Å; V1644-Y1762 HydrophobicContact CB-CD2 4.35Å; V1644-Y1762 HydrophobicContact CB-CE2 4.37Å; V1644-Y1762 HydrophobicContact CG2-CD2 3.89Å; V1644-Y1762 HydrophobicContact CG2-CE2 4.4Å; V1644-Y1762 HydrophobicContact CG2-CG 4.35Å |
| 1645 | L | 31.6 | Very low | 29.3 | Very low | 79 Ų | 79 | 103.2 Ų | 103.2 | 41% | 0.414 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.2 | 170.1 | -80.1 | 168.4 | 0 | 0 | 0 | 112.4 | L1659 L1661 W1675 | L1645-L1659 HydrophobicContact CD2-CD2 3.81Å; L1645-L1661 HydrophobicContact CD2-CB 4.45Å; L1645-L1661 HydrophobicContact CD2-CD1 3.51Å; L1645-L1661 HydrophobicContact CG-CD1 3.73Å; L1645-W1675 HydrophobicContact CD2-CH2 4.22Å; L1645-W1675 HydrophobicContact CD2-CZ3 3.71Å |
| 1646 | V | 35.4 | Very low | 29.3 | Very low | 32 Ų | 32 | 101.3 Ų | 101.3 | 19% | 0.194 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.1 | -177.6 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | A1574 V1644 I1660 Y1662 | A1574-V1646 HydrophobicContact CB-CG1 4.49Å; V1644-V1646 HydrophobicContact CG1-CG2 3.73Å; V1646-I1660 PolarHBondContact N-O 2.96Å; V1646-I1660 PolarHBondContact O-N 3.49Å; V1646-Y1662 HydrophobicContact CG2-CD2 4.03Å; V1646-Y1662 HydrophobicContact CG2-CE2 4.36Å |
| 1647 | T | 32.3 | Very low | 29.5 | Very low | 80 Ų | 80 | 96.3 Ų | 96.3 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.9 | 172.8 | 60.3 | 0 | 0 | 0 | 0 | 111 | L1659 | T1647-L1659 HydrophobicContact CG2-CD1 3.9Å; T1647-L1659 HydrophobicContact CG2-CG 4.22Å |
| 1648 | H | 31.9 | Very low | 29.9 | Very low | 96 Ų | 96 | 91.5 Ų | 91.5 | 44% | 0.444 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.5 | -178.2 | -159.9 | -44.9 | 0 | 0 | 0 | 111.6 | N1658 I1660 | H1648-N1658 PolarHBondContact N-O 3.5Å; H1648-I1660 HydrophobicContact CB-CD1 4.44Å |
| 1649 | R | 28.5 | Very low | 30.3 | Very low | 123 Ų | 123 | 89.7 Ų | 89.7 | 46% | 0.464 | 45% | 0.45 | S | S | . | . | trans | -106.4 | 132.1 | 170.4 | -74.9 | 174.7 | 162.5 | -178.3 | -10.4 | 109.9 | D1572 V1656 | D1572-R1649 IonicContact OD2-NH1 3.25Å; R1649-V1656 HydrophobicContact CG-CB 4.43Å; R1649-V1656 HydrophobicContact CG-CG1 4Å; R1649-V1656 HydrophobicContact CG-CG2 4.01Å | ||
| 1650 | K | 29.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 88.9 Ų | 88.9 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | trans | -109.8 | 86.7 | 173.2 | -94.2 | -174.6 | 171.5 | 177.2 | 0 | 111.8 | E1652 | K1650-E1652 VanDerWaalsContact C-N 3.26Å; K1650-E1652 PolarHBondContact O-N 2.92Å | ||
| 1651 | E | 28.1 | Very low | 31 | Very low | 182 Ų | 182 | 87.3 Ų | 87.3 | 85% | 0.85 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 50.1 | -29.1 | 158.1 | -59.1 | -164 | 113.7 | 0 | 0 | 121.7 | ||
| 1652 | E | 24.6 | Very low | 31.4 | Very low | 178 Ų | 178 | 88.6 Ų | 88.6 | 83% | 0.832 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -86.1 | 124 | 173.3 | -67.8 | -151.7 | 165.2 | 0 | 0 | 111.9 | K1650 N1654 | K1650-E1652 VanDerWaalsContact C-N 3.26Å; K1650-E1652 PolarHBondContact O-N 2.92Å; E1652-N1654 VanDerWaalsContact C-N 3.29Å; E1652-N1654 PolarHBondContact O-N 3.45Å |
| 1653 | R | 23.7 | Very low | 31.4 | Very low | 230 Ų | 230 | 89.7 Ų | 89.7 | 87% | 0.868 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 13.5 | -144.7 | -106 | -177.9 | -179.9 | -175.4 | -0.3 | 119 | ||
| 1654 | N | 25.1 | Very low | 31.7 | Very low | 155 Ų | 155 | 93.2 Ų | 93.2 | 83% | 0.829 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.9 | 3.8 | -170.4 | -85.1 | -48.6 | 0 | 0 | 0 | 118.3 | E1652 | E1652-N1654 VanDerWaalsContact C-N 3.29Å; E1652-N1654 PolarHBondContact O-N 3.45Å |
| 1655 | N | 25.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 96.6 Ų | 96.6 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | trans | -131.8 | 166.6 | 171.3 | -83.7 | -36.9 | 0 | 0 | 0 | 111.8 | ||||
| 1656 | V | 30.5 | Very low | 31.6 | Very low | 67 Ų | 67 | 98.7 Ų | 98.7 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | trans | -136 | 125 | 178.4 | -170.9 | 0 | 0 | 0 | 0 | 107.3 | R1649 | R1649-V1656 HydrophobicContact CG-CB 4.43Å; R1649-V1656 HydrophobicContact CG-CG1 4Å; R1649-V1656 HydrophobicContact CG-CG2 4.01Å | ||
| 1657 | D | 33.5 | Very low | 31.6 | Very low | 68 Ų | 68 | 105.7 Ų | 105.7 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | trans | -103.7 | -35.2 | -155.9 | -52.6 | -33.8 | 0 | 0 | 0 | 114.5 | ||||
| 1658 | N | 32.2 | Very low | 31.5 | Very low | 62 Ų | 62 | 104.4 Ų | 104.4 | 33% | 0.332 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 157.9 | -176.5 | -62.4 | -89.9 | 0 | 0 | 0 | 112.4 | H1648 S1676 | H1648-N1658 PolarHBondContact N-O 3.5Å; N1658-S1676 WeakPolarHBondContact OD1-CA 3.39Å |
| 1659 | L | 36 | Very low | 31.5 | Very low | 52 Ų | 52 | 105.9 Ų | 105.9 | 27% | 0.272 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.2 | 179.6 | -160.6 | 138.3 | 0 | 0 | 0 | 108.7 | L1645 T1647 S1674 W1675 | L1645-L1659 HydrophobicContact CD2-CD2 3.81Å; T1647-L1659 HydrophobicContact CG2-CD1 3.9Å; T1647-L1659 HydrophobicContact CG2-CG 4.22Å; L1659-S1674 CarbonylContact O-C 3.55Å; L1659-S1674 WeakPolarHBondContact O-CA 3.36Å; L1659-W1675 HydrophobicContact CB-CE3 4.42Å; L1659-W1675 HydrophobicContact CD2-CE3 3.52Å; L1659-W1675 HydrophobicContact CD2-CZ3 3.78Å; L1659-W1675 PolarHBondContact N-O 2.9Å; L1659-W1675 PolarHBondContact O-N 3.05Å |
| 1660 | I | 34 | Very low | 31.6 | Very low | 23 Ų | 23 | 105.3 Ų | 105.3 | 12% | 0.118 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.5 | -161.9 | -49.2 | -175.6 | 0 | 0 | 0 | 110.8 | V1646 H1648 Y1662 P1671 Y1673 | V1646-I1660 PolarHBondContact N-O 2.96Å; V1646-I1660 PolarHBondContact O-N 3.49Å; H1648-I1660 HydrophobicContact CB-CD1 4.44Å; I1660-Y1662 HydrophobicContact CB-CE2 4.23Å; I1660-Y1662 HydrophobicContact CG2-CD2 4.13Å; I1660-Y1662 HydrophobicContact CG2-CE2 3.51Å; I1660-P1671 HydrophobicContact CG2-CB 3.34Å; I1660-P1671 HydrophobicContact CG2-CG 4.17Å; I1660-Y1673 WeakPolarHBondContact CA-O 3.33Å; I1660-Y1673 WeakPolarHBondContact CG2-O 3.35Å |
| 1661 | L | 36.7 | Very low | 31.9 | Very low | 26 Ų | 26 | 100.7 Ų | 100.7 | 14% | 0.136 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.6 | -179.6 | -167.4 | 79.3 | 0 | 0 | 0 | 111.3 | L1643 V1644 L1645 P1671 I1672 Y1673 W1675 | L1643-L1661 HydrophobicContact CD2-CD2 4.25Å; V1644-L1661 CarbonylContact O-C 3.46Å; V1644-L1661 VanDerWaalsContact O-CA 3.25Å; V1644-L1661 WeakPolarHBondContact O-CA 3.36Å; V1644-L1661 WeakPolarHBondContact O-CD1 3.48Å; L1645-L1661 HydrophobicContact CD2-CB 4.45Å; L1645-L1661 HydrophobicContact CD2-CD1 3.51Å; L1645-L1661 HydrophobicContact CG-CD1 3.73Å; L1661-P1671 CarbonylContact O-C 3.59Å; L1661-P1671 WeakPolarHBondContact O-CA 3.3Å; L1661-P1671 WeakPolarHBondContact O-CB 3.26Å; L1661-I1672 HydrophobicContact CB-CB 4.33Å; L1661-I1672 HydrophobicContact CD2-CB 4.07Å; L1661-I1672 HydrophobicContact CD2-CD1 4.08Å; L1661-I1672 HydrophobicContact CD2-CG2 4.03Å; L1661-I1672 HydrophobicContact CG-CB 4.32Å; L1661-I1672 HydrophobicContact CG-CD1 4.18Å; L1661-I1672 PolarHBondContact O-N 3.36Å; L1661-Y1673 PolarHBondContact N-O 3.49Å; L1661-W1675 HydrophobicContact CB-CH2 4.22Å; L1661-W1675 HydrophobicContact CB-CZ3 4.1Å |
| 1662 | Y | 35.9 | Very low | 32.3 | Very low | 74 Ų | 74 | 96.1 Ų | 96.1 | 29% | 0.29 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 167.8 | 177.3 | -73.4 | -92.9 | 0 | 0 | 0 | 111.9 | L1643 V1644 V1646 I1660 P1671 I1672 | L1643-Y1662 CarbonylContact C-O 3.58Å; L1643-Y1662 VanDerWaalsContact C-O 3.26Å; L1643-Y1662 VanDerWaalsContact CA-O 3.29Å; L1643-Y1662 WeakPolarHBondContact CA-O 3.46Å; V1644-Y1662 PolarHBondContact N-O 3.49Å; V1644-Y1662 PolarHBondContact O-N 3.1Å; V1646-Y1662 HydrophobicContact CG2-CD2 4.03Å; V1646-Y1662 HydrophobicContact CG2-CE2 4.36Å; I1660-Y1662 HydrophobicContact CB-CE2 4.23Å; I1660-Y1662 HydrophobicContact CG2-CD2 4.13Å; I1660-Y1662 HydrophobicContact CG2-CE2 3.51Å; Y1662-P1671 HydrophobicContact CD1-CB 4.26Å; Y1662-P1671 HydrophobicContact CD2-CB 4.47Å; Y1662-P1671 HydrophobicContact CE1-CB 3.81Å; Y1662-P1671 HydrophobicContact CE1-CG 4.43Å; Y1662-P1671 HydrophobicContact CE2-CB 4.03Å; Y1662-I1672 VanDerWaalsContact C-CD1 3.42Å; Y1662-I1672 WeakPolarHBondContact O-CD1 3.24Å |
| 1663 | D | 36.8 | Very low | 32.6 | Very low | 28 Ų | 28 | 93.4 Ų | 93.4 | 15% | 0.15 | 48% | 0.477 | C | S | . | . | trans | -110.6 | 166.5 | 164.4 | -152.7 | -46.4 | 0 | 0 | 0 | 108.6 | T1642 D1665 I1672 | T1642-D1663 WeakPolarHBondContact CG2-OD1 3.18Å; D1663-D1665 PolarHBondContact OD1-N 3.46Å; D1663-I1672 HydrophobicContact CB-CD1 4.08Å | ||
| 1664 | L | 38.2 | Very low | 33.3 | Very low | 112 Ų | 112 | 84.8 Ų | 84.8 | 59% | 0.586 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -140.3 | 0.8 | 174.3 | -77.6 | 179.6 | 0 | 0 | 0 | 114 | T1642 V1644 | T1642-L1664 HydrophobicContact CG2-CB 3.86Å; V1644-L1664 HydrophobicContact CG2-CD1 3.62Å; V1644-L1664 HydrophobicContact CG2-CG 3.99Å |
| 1665 | D | 36.1 | Very low | 34 | Very low | 74 Ų | 74 | 81.3 Ų | 81.3 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -89.3 | -9.1 | 168.9 | -72.1 | -41.3 | 0 | 0 | 0 | 112 | S1641 T1642 D1663 V1763 | S1641-D1665 WeakPolarHBondContact CA-OD2 3.44Å; S1641-D1665 PolarHBondContact N-OD2 2.78Å; T1642-D1665 VanDerWaalsContact CB-OD2 3.31Å; T1642-D1665 WeakPolarHBondContact CB-OD2 3.34Å; T1642-D1665 HydrophobicContact CG2-CB 4.18Å; T1642-D1665 WeakPolarHBondContact CG2-OD2 3.48Å; T1642-D1665 PolarHBondContact N-OD2 2.85Å; D1663-D1665 PolarHBondContact OD1-N 3.46Å; D1665-V1763 WeakPolarHBondContact OD1-CG1 3.43Å |
| 1666 | E | 28.9 | Very low | 34.6 | Very low | 124 Ų | 124 | 77.1 Ų | 77.1 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -116 | 136.8 | 163.8 | -69.8 | -166.7 | 152.9 | 0 | 0 | 110.1 | S1668 | E1666-S1668 PolarHBondContact O-N 3.09Š|
| 1667 | D | 36 | Very low | 34.7 | Very low | 178 Ų | 178 | 78.4 Ų | 78.4 | 95% | 0.952 | 41% | 0.413 | S | S | * | . | trans | -70.3 | 35.1 | 178.9 | -70.8 | -52.4 | 0 | 0 | 0 | 113.8 | ||||
| 1668 | S | 29.7 | Very low | 34.8 | Very low | 54 Ų | 54 | 82.3 Ų | 82.3 | 38% | 0.378 | 43% | 0.434 | S | S | . | . | trans | -91.7 | 125.4 | -172.9 | 86.3 | 0 | 0 | 0 | 0 | 112.7 | E1666 N1670 | E1666-S1668 PolarHBondContact O-N 3.09Å; S1668-N1670 PolarHBondContact O-N 2.91Å | ||
| 1669 | T | 31.7 | Very low | 34.9 | Very low | 127 Ų | 127 | 83.7 Ų | 83.7 | 78% | 0.779 | 44% | 0.439 | S | S | * | . | trans | -79.4 | 8.2 | -177.8 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1670 | N | 30.5 | Very low | 34.8 | Very low | 110 Ų | 110 | 84.6 Ų | 84.6 | 59% | 0.588 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -109.7 | 137 | -172.6 | -71.9 | -59.8 | 0 | 0 | 0 | 112 | S1668 | S1668-N1670 PolarHBondContact O-N 2.91Š|
| 1671 | P | 35.7 | Very low | 35 | Very low | 59 Ų | 59 | 85 Ų | 85 | 38% | 0.383 | 45% | 0.449 | S | S | . | . | trans | -70.8 | 141.2 | 176 | 28.1 | -33.5 | 0 | 0 | 0 | 112.4 | I1660 L1661 Y1662 | I1660-P1671 HydrophobicContact CG2-CB 3.34Å; I1660-P1671 HydrophobicContact CG2-CG 4.17Å; L1661-P1671 CarbonylContact O-C 3.59Å; L1661-P1671 WeakPolarHBondContact O-CA 3.3Å; L1661-P1671 WeakPolarHBondContact O-CB 3.26Å; Y1662-P1671 HydrophobicContact CD1-CB 4.26Å; Y1662-P1671 HydrophobicContact CD2-CB 4.47Å; Y1662-P1671 HydrophobicContact CE1-CB 3.81Å; Y1662-P1671 HydrophobicContact CE1-CG 4.43Å; Y1662-P1671 HydrophobicContact CE2-CB 4.03Å | ||
| 1672 | I | 37.5 | Very low | 35 | Very low | 86 Ų | 86 | 85.8 Ų | 85.8 | 44% | 0.441 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -63.4 | -44.3 | 174.5 | -55.5 | 176 | 0 | 0 | 0 | 110.7 | L1643 L1661 Y1662 D1663 | L1643-I1672 HydrophobicContact CD2-CD1 3.59Å; L1661-I1672 HydrophobicContact CB-CB 4.33Å; L1661-I1672 HydrophobicContact CD2-CB 4.07Å; L1661-I1672 HydrophobicContact CD2-CD1 4.08Å; L1661-I1672 HydrophobicContact CD2-CG2 4.03Å; L1661-I1672 HydrophobicContact CG-CB 4.32Å; L1661-I1672 HydrophobicContact CG-CD1 4.18Å; L1661-I1672 PolarHBondContact O-N 3.36Å; Y1662-I1672 VanDerWaalsContact C-CD1 3.42Å; Y1662-I1672 WeakPolarHBondContact O-CD1 3.24Å; D1663-I1672 HydrophobicContact CB-CD1 4.08Å |
| 1673 | Y | 30.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 89.5 Ų | 89.5 | 48% | 0.475 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 158 | 177.4 | -158.3 | -101.9 | 0 | 0 | 0 | 111.6 | I1660 L1661 W1675 | I1660-Y1673 WeakPolarHBondContact CA-O 3.33Å; I1660-Y1673 WeakPolarHBondContact CG2-O 3.35Å; L1661-Y1673 PolarHBondContact N-O 3.49Å; Y1673-W1675 HydrophobicContact CD1-CD2 4.08Å; Y1673-W1675 AromaticContact CD1-CE2 3.83Å; Y1673-W1675 HydrophobicContact CD1-CG 4.28Å; Y1673-W1675 HydrophobicContact CD1-CZ2 4.25Å; Y1673-W1675 AromaticContact CD1-NE1 3.83Å; Y1673-W1675 AromaticContact CE1-CD1 3.82Å; Y1673-W1675 HydrophobicContact CE1-CG 4.31Å; Y1673-W1675 AromaticContact CE1-NE1 3.81Å |
| 1674 | S | 38.5 | Very low | 34.7 | Very low | 49 Ų | 49 | 90.6 Ų | 90.6 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 116.2 | 175.7 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | L1659 | L1659-S1674 CarbonylContact O-C 3.55Å; L1659-S1674 WeakPolarHBondContact O-CA 3.36Å |
| 1675 | W | 38.2 | Very low | 34.6 | Very low | 82 Ų | 82 | 90.9 Ų | 90.9 | 31% | 0.311 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.8 | 173 | -63.7 | -79.9 | 0 | 0 | 0 | 109.9 | L1645 L1659 L1661 Y1673 A1682 | L1645-W1675 HydrophobicContact CD2-CH2 4.22Å; L1645-W1675 HydrophobicContact CD2-CZ3 3.71Å; L1659-W1675 HydrophobicContact CB-CE3 4.42Å; L1659-W1675 HydrophobicContact CD2-CE3 3.52Å; L1659-W1675 HydrophobicContact CD2-CZ3 3.78Å; L1659-W1675 PolarHBondContact N-O 2.9Å; L1659-W1675 PolarHBondContact O-N 3.05Å; L1661-W1675 HydrophobicContact CB-CH2 4.22Å; L1661-W1675 HydrophobicContact CB-CZ3 4.1Å; Y1673-W1675 HydrophobicContact CD1-CD2 4.08Å; Y1673-W1675 AromaticContact CD1-CE2 3.83Å; Y1673-W1675 HydrophobicContact CD1-CG 4.28Å; Y1673-W1675 HydrophobicContact CD1-CZ2 4.25Å; Y1673-W1675 AromaticContact CD1-NE1 3.83Å; Y1673-W1675 AromaticContact CE1-CD1 3.82Å; Y1673-W1675 HydrophobicContact CE1-CG 4.31Å; Y1673-W1675 AromaticContact CE1-NE1 3.81Å; W1675-A1682 HydrophobicContact CB-CB 4.3Å |
| 1676 | S | 38.4 | Very low | 34.4 | Very low | 44 Ų | 44 | 91.1 Ų | 91.1 | 31% | 0.308 | 49% | 0.488 | S | S | . | . | trans | -108.3 | 158.7 | -173.5 | 73 | 0 | 0 | 0 | 0 | 112.8 | N1658 N1678 E1679 | N1658-S1676 WeakPolarHBondContact OD1-CA 3.39Å; S1676-N1678 PolarHBondContact O-N 3.39Å; S1676-E1679 PolarHBondContact O-N 2.92Å | ||
| 1677 | D | 34.2 | Very low | 34.7 | Very low | 94 Ų | 94 | 87.8 Ų | 87.8 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.1 | -169.8 | -152.5 | 26.3 | 0 | 0 | 0 | 115.5 | K1683 | D1677-K1683 WeakPolarHBondContact OD1-CE 3.41Å; D1677-K1683 IonicContact OD1-NZ 2.65Å; D1677-K1683 PolarHBondContact OD1-NZ 3.17Å; D1677-K1683 IonicContact OD2-NZ 3.69Å |
| 1678 | N | 35.3 | Very low | 34.6 | Very low | 150 Ų | 150 | 83.8 Ų | 83.8 | 80% | 0.802 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -19.2 | 171.9 | -69.3 | -42 | 0 | 0 | 0 | 113.5 | S1676 V1680 | S1676-N1678 PolarHBondContact O-N 3.39Å; N1678-V1680 VanDerWaalsContact C-N 3.26Å; N1678-V1680 PolarHBondContact O-N 3.49Å; N1678-V1680 VanDerWaalsContact O-N 3.14Å |
| 1679 | E | 34.5 | Very low | 34.8 | Very low | 91 Ų | 91 | 86.6 Ų | 86.6 | 43% | 0.425 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -88.7 | 43.8 | -175.4 | -63.9 | -169.3 | 154.3 | 0 | 0 | 113.5 | S1676 N1681 | S1676-E1679 PolarHBondContact O-N 2.92Å; E1679-N1681 VanDerWaalsContact C-N 3.29Å; E1679-N1681 PolarHBondContact O-N 2.83Å |
| 1680 | V | 34.2 | Very low | 35 | Very low | 71 Ų | 71 | 83.7 Ų | 83.7 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 61.3 | -54 | 155.1 | -173.2 | 0 | 0 | 0 | 0 | 118.4 | N1678 V1806 Y1813 | N1678-V1680 VanDerWaalsContact C-N 3.26Å; N1678-V1680 PolarHBondContact O-N 3.49Å; N1678-V1680 VanDerWaalsContact O-N 3.14Å; V1680-V1806 HydrophobicContact CG1-CG2 4.26Å; V1680-Y1813 HydrophobicContact CG1-CD1 3.99Å; V1680-Y1813 HydrophobicContact CG1-CE1 3.27Å; V1680-Y1813 HydrophobicContact CG1-CE2 4.48Å; V1680-Y1813 VanDerWaalsContact O-CE2 3.3Å; V1680-Y1813 WeakPolarHBondContact O-CE2 3.39Å; V1680-Y1813 PolarHBondContact O-OH 3.12Å |
| 1681 | N | 36.6 | Very low | 35.1 | Very low | 31 Ų | 31 | 80.8 Ų | 80.8 | 17% | 0.166 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -110.1 | -2.7 | -164.3 | -76.8 | -22.1 | 0 | 0 | 0 | 115.9 | E1679 K1683 S1804 Y1813 | E1679-N1681 VanDerWaalsContact C-N 3.29Å; E1679-N1681 PolarHBondContact O-N 2.83Å; N1681-K1683 PolarHBondContact O-N 2.83Å; N1681-S1804 WeakPolarHBondContact ND2-CB 3.33Å; N1681-S1804 PolarHBondContact ND2-OG 3.12Å; N1681-Y1813 WeakPolarHBondContact OD1-CD1 3.47Å; N1681-Y1813 VanDerWaalsContact OD1-CG 3.29Å |
| 1682 | A | 37.8 | Very low | 35.1 | Very low | 42 Ų | 42 | 83.4 Ų | 83.4 | 35% | 0.347 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 21.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | W1675 | W1675-A1682 HydrophobicContact CB-CB 4.3Š|
| 1683 | K | 32.3 | Very low | 35.3 | Very low | 152 Ų | 152 | 83.2 Ų | 83.2 | 66% | 0.661 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -18.1 | -162.8 | -55.4 | -154.6 | 177.7 | -153.1 | 0 | 117.9 | D1677 N1681 | D1677-K1683 WeakPolarHBondContact OD1-CE 3.41Å; D1677-K1683 IonicContact OD1-NZ 2.65Å; D1677-K1683 PolarHBondContact OD1-NZ 3.17Å; D1677-K1683 IonicContact OD2-NZ 3.69Å; N1681-K1683 PolarHBondContact O-N 2.83Å |
| 1684 | S | 34.7 | Very low | 35.6 | Very low | 51 Ų | 51 | 81.4 Ų | 81.4 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | trans | -164.1 | 149.9 | 160.6 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | D1686 T1687 | S1684-D1686 PolarHBondContact O-N 3.3Å; S1684-D1686 PolarHBondContact OG-N 3.02Å; S1684-D1686 PolarHBondContact OG-OD2 3.48Å; S1684-T1687 PolarHBondContact O-N 2.91Å; S1684-T1687 PolarHBondContact O-OG1 3.01Å | ||
| 1685 | I | 35.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 80.4 Ų | 80.4 | 61% | 0.605 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -68 | -22.3 | 172.5 | -148.3 | 167.2 | 0 | 0 | 0 | 112.3 | T1687 F1688 M1754 | I1685-T1687 PolarHBondContact O-N 3.32Å; I1685-T1687 VanDerWaalsContact O-N 3.09Å; I1685-F1688 PolarHBondContact O-N 3.35Å; I1685-M1754 HydrophobicContact CG2-SD 4.21Å |
| 1686 | D | 31.9 | Very low | 35.5 | Very low | 79 Ų | 79 | 80.2 Ų | 80.2 | 42% | 0.422 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -58.7 | -21.2 | 174.6 | -59.4 | -68 | 0 | 0 | 0 | 113.3 | S1684 F1688 | S1684-D1686 PolarHBondContact O-N 3.3Å; S1684-D1686 PolarHBondContact OG-N 3.02Å; S1684-D1686 PolarHBondContact OG-OD2 3.48Å; D1686-F1688 VanDerWaalsContact C-N 3.28Å; D1686-F1688 PolarHBondContact O-N 3.29Å |
| 1687 | T | 35 | Very low | 35.5 | Very low | 55 Ų | 55 | 82.6 Ų | 82.6 | 34% | 0.337 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -71.3 | -22.6 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | S1684 I1685 F1815 | S1684-T1687 PolarHBondContact O-N 2.91Å; S1684-T1687 PolarHBondContact O-OG1 3.01Å; I1685-T1687 PolarHBondContact O-N 3.32Å; I1685-T1687 VanDerWaalsContact O-N 3.09Å; T1687-F1815 VanDerWaalsContact O-CD2 3.25Å; T1687-F1815 WeakPolarHBondContact O-CD2 3.27Å; T1687-F1815 VanDerWaalsContact O-CE2 3.28Å; T1687-F1815 WeakPolarHBondContact O-CE2 3.3Å |
| 1688 | F | 33.7 | Very low | 35.7 | Very low | 93 Ų | 93 | 78.8 Ų | 78.8 | 41% | 0.408 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -28.5 | -172.4 | -75.7 | -98.5 | 0 | 0 | 0 | 114.3 | I1685 D1686 F1815 | I1685-F1688 PolarHBondContact O-N 3.35Å; D1686-F1688 VanDerWaalsContact C-N 3.28Å; D1686-F1688 PolarHBondContact O-N 3.29Å; F1688-F1815 HydrophobicContact CB-CE2 4.44Å; F1688-F1815 HydrophobicContact CD1-CE1 4.06Å; F1688-F1815 AromaticContact CD1-CE2 3.93Å; F1688-F1815 HydrophobicContact CD1-CE2 3.93Å; F1688-F1815 AromaticContact CD1-CZ 3.43Å; F1688-F1815 HydrophobicContact CD1-CZ 3.43Å; F1688-F1815 VanDerWaalsContact CD1-CZ 3.43Å; F1688-F1815 HydrophobicContact CE1-CE1 4.12Å; F1688-F1815 HydrophobicContact CE1-CE2 4.32Å; F1688-F1815 AromaticContact CE1-CZ 3.49Å; F1688-F1815 HydrophobicContact CE1-CZ 3.49Å; F1688-F1815 VanDerWaalsContact CE1-CZ 3.49Å; F1688-F1815 HydrophobicContact CG-CE2 4.06Å; F1688-F1815 HydrophobicContact CG-CZ 4.02Å; F1688-F1815 HydrophobicContact CZ-CZ 4.11Å |
| 1689 | L | 34.9 | Very low | 35.7 | Very low | 113 Ų | 113 | 74.7 Ų | 74.7 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | trans | -150.4 | 111.6 | -171.2 | -98.2 | 159.6 | 0 | 0 | 0 | 111.4 | ||||
| 1690 | T | 34.9 | Very low | 35.9 | Very low | 66 Ų | 66 | 72.1 Ų | 72.1 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | trans | -97.2 | 147.9 | 172.7 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | Q1692 Q1693 | T1690-Q1692 PolarHBondContact O-N 2.69Å; T1690-Q1693 PolarHBondContact O-N 3.33Å; T1690-Q1693 VanDerWaalsContact OG1-CG 3.3Å; T1690-Q1693 WeakPolarHBondContact OG1-CG 3.48Å; T1690-Q1693 PolarHBondContact OG1-OE1 3.21Å | ||
| 1691 | T | 32 | Very low | 35.9 | Very low | 49 Ų | 49 | 72.2 Ų | 72.2 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -28.5 | 179.4 | 46.6 | 0 | 0 | 0 | 0 | 113 | L1694 V1695 Y1748 P1751 | T1691-L1694 PolarHBondContact O-N 3.29Å; T1691-V1695 PolarHBondContact O-N 3Å; T1691-Y1748 HydrophobicContact CG2-CD2 3.49Å; T1691-Y1748 VanDerWaalsContact CG2-CD2 3.49Å; T1691-Y1748 HydrophobicContact CG2-CE2 3.47Å; T1691-Y1748 VanDerWaalsContact CG2-CE2 3.47Å; T1691-P1751 HydrophobicContact CG2-CG 4.3Å |
| 1692 | Q | 36.9 | Very low | 35.8 | Very low | 114 Ų | 114 | 74.8 Ų | 74.8 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 175.8 | -167.7 | 61.4 | 50.9 | 0 | 0 | 111.5 | T1690 L1694 V1695 D1696 | T1690-Q1692 PolarHBondContact O-N 2.69Å; Q1692-L1694 PolarHBondContact O-N 2.88Å; Q1692-V1695 PolarHBondContact O-N 3.29Å; Q1692-D1696 WeakPolarHBondContact CG-OD2 3.29Å; Q1692-D1696 PolarHBondContact NE2-OD1 2.93Å; Q1692-D1696 PolarHBondContact NE2-OD2 2.86Å; Q1692-D1696 VanDerWaalsContact O-CG 3.26Å; Q1692-D1696 PolarHBondContact O-N 3.5Å |
| 1693 | Q | 41.1 | Very low | 35.5 | Very low | 83 Ų | 83 | 78.1 Ų | 78.1 | 39% | 0.388 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.4 | -31.3 | 179.4 | -72.3 | 161.8 | -41.3 | 0 | 0 | 113.4 | T1690 W1697 | T1690-Q1693 PolarHBondContact O-N 3.33Å; T1690-Q1693 VanDerWaalsContact OG1-CG 3.3Å; T1690-Q1693 WeakPolarHBondContact OG1-CG 3.48Å; T1690-Q1693 PolarHBondContact OG1-OE1 3.21Å; Q1693-W1697 VanDerWaalsContact O-CB 3.26Å; Q1693-W1697 WeakPolarHBondContact O-CB 3.35Å; Q1693-W1697 PolarHBondContact O-N 3.06Å |
| 1694 | L | 37.6 | Very low | 35.6 | Very low | 83 Ų | 83 | 74.2 Ų | 74.2 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.2 | -37.3 | 175.8 | -77.4 | 167.6 | 0 | 0 | 0 | 112.5 | T1691 Q1692 A1698 | T1691-L1694 PolarHBondContact O-N 3.29Å; Q1692-L1694 PolarHBondContact O-N 2.88Å; L1694-A1698 PolarHBondContact O-N 3.48Å |
| 1695 | V | 34.2 | Very low | 35.6 | Very low | 28 Ų | 28 | 80.9 Ų | 80.9 | 17% | 0.17 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.4 | -46.1 | 175.5 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | T1691 Q1692 W1697 A1698 T1699 L1734 Y1748 | T1691-V1695 PolarHBondContact O-N 3Å; Q1692-V1695 PolarHBondContact O-N 3.29Å; V1695-W1697 VanDerWaalsContact C-N 3.33Å; V1695-W1697 PolarHBondContact O-N 3.02Å; V1695-A1698 PolarHBondContact O-N 3.14Å; V1695-A1698 VanDerWaalsContact O-N 3.16Å; V1695-T1699 PolarHBondContact O-N 3.47Å; V1695-T1699 VanDerWaalsContact O-N 3.08Å; V1695-T1699 PolarHBondContact O-OG1 2.96Å; V1695-L1734 HydrophobicContact CG1-CD1 4.39Å; V1695-L1734 HydrophobicContact CG1-CD2 4.13Å; V1695-L1734 HydrophobicContact CG2-CD1 4.18Å; V1695-L1734 HydrophobicContact CG2-CD2 4.17Å; V1695-Y1748 HydrophobicContact CG2-CE1 4.47Å |
| 1696 | D | 40.1 | Very low | 35.2 | Very low | 77 Ų | 77 | 79.2 Ų | 79.2 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.3 | -32.9 | -178.1 | -58.8 | -21.6 | 0 | 0 | 0 | 111.7 | Q1692 A1698 T1699 A1700 | Q1692-D1696 WeakPolarHBondContact CG-OD2 3.29Å; Q1692-D1696 PolarHBondContact NE2-OD1 2.93Å; Q1692-D1696 PolarHBondContact NE2-OD2 2.86Å; Q1692-D1696 VanDerWaalsContact O-CG 3.26Å; Q1692-D1696 PolarHBondContact O-N 3.5Å; D1696-A1698 VanDerWaalsContact C-N 3.34Å; D1696-T1699 WeakPolarHBondContact CA-OG1 3.32Å; D1696-T1699 PolarHBondContact O-OG1 2.99Å; D1696-A1700 VanDerWaalsContact O-CB 3.28Å; D1696-A1700 WeakPolarHBondContact O-CB 3.29Å; D1696-A1700 PolarHBondContact O-N 3.42Å |
| 1697 | W | 38.3 | Very low | 34.9 | Very low | 94 Ų | 94 | 81.4 Ų | 81.4 | 36% | 0.356 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.8 | -30.7 | 173.1 | -167.3 | 54.2 | 0 | 0 | 0 | 112.9 | Q1693 V1695 I1701 | Q1693-W1697 VanDerWaalsContact O-CB 3.26Å; Q1693-W1697 WeakPolarHBondContact O-CB 3.35Å; Q1693-W1697 PolarHBondContact O-N 3.06Å; V1695-W1697 VanDerWaalsContact C-N 3.33Å; V1695-W1697 PolarHBondContact O-N 3.02Å; W1697-I1701 VanDerWaalsContact O-CD1 3.24Å; W1697-I1701 WeakPolarHBondContact O-CD1 3.5Å; W1697-I1701 VanDerWaalsContact O-CG1 3.3Å; W1697-I1701 WeakPolarHBondContact O-CG1 3.43Å |
| 1698 | A | 38.4 | Very low | 34.6 | Very low | 14 Ų | 14 | 81.3 Ų | 81.3 | 12% | 0.116 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -73.4 | -42.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1694 V1695 D1696 Y1746 | L1694-A1698 PolarHBondContact O-N 3.48Å; V1695-A1698 PolarHBondContact O-N 3.14Å; V1695-A1698 VanDerWaalsContact O-N 3.16Å; D1696-A1698 VanDerWaalsContact C-N 3.34Å; A1698-Y1746 HydrophobicContact CB-CD2 4.43Å; A1698-Y1746 HydrophobicContact CB-CE1 4.2Å; A1698-Y1746 HydrophobicContact CB-CE2 3.87Å |
| 1699 | T | 35.7 | Very low | 34.4 | Very low | 64 Ų | 64 | 84 Ų | 84 | 39% | 0.393 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.4 | -35.8 | -178.9 | 55 | 0 | 0 | 0 | 0 | 113.1 | V1695 D1696 I1701 T1702 | V1695-T1699 PolarHBondContact O-N 3.47Å; V1695-T1699 VanDerWaalsContact O-N 3.08Å; V1695-T1699 PolarHBondContact O-OG1 2.96Å; D1696-T1699 WeakPolarHBondContact CA-OG1 3.32Å; D1696-T1699 PolarHBondContact O-OG1 2.99Å; T1699-I1701 PolarHBondContact O-N 3.04Å; T1699-T1702 PolarHBondContact O-N 3.19Å; T1699-T1702 PolarHBondContact O-OG1 3.05Å |
| 1700 | A | 37.7 | Very low | 34.1 | Very low | 37 Ų | 37 | 82.2 Ų | 82.2 | 31% | 0.306 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -27.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1696 I1704 | D1696-A1700 VanDerWaalsContact O-CB 3.28Å; D1696-A1700 WeakPolarHBondContact O-CB 3.29Å; D1696-A1700 PolarHBondContact O-N 3.42Å; A1700-I1704 WeakPolarHBondContact O-CG1 3.34Å |
| 1701 | I | 35.2 | Very low | 33.6 | Very low | 74 Ų | 74 | 85.2 Ų | 85.2 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.9 | -29.2 | -179.2 | -70 | 168.1 | 0 | 0 | 0 | 112.4 | W1697 T1699 | W1697-I1701 VanDerWaalsContact O-CD1 3.24Å; W1697-I1701 WeakPolarHBondContact O-CD1 3.5Å; W1697-I1701 VanDerWaalsContact O-CG1 3.3Å; W1697-I1701 WeakPolarHBondContact O-CG1 3.43Å; T1699-I1701 PolarHBondContact O-N 3.04Å |
| 1702 | T | 34.2 | Very low | 33.3 | Very low | 85 Ų | 85 | 92.8 Ų | 92.8 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.5 | -33.9 | -179.7 | 40.3 | 0 | 0 | 0 | 0 | 113.4 | T1699 | T1699-T1702 PolarHBondContact O-N 3.19Å; T1699-T1702 PolarHBondContact O-OG1 3.05Å |
| 1703 | D | 31.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 93.3 Ų | 93.3 | 60% | 0.599 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.6 | -35.3 | -179.7 | -78.1 | -9.1 | 0 | 0 | 0 | 112.3 | K1705 S1706 | D1703-K1705 PolarHBondContact O-N 3.15Å; D1703-K1705 VanDerWaalsContact O-N 3.14Å; D1703-S1706 WeakPolarHBondContact O-CB 3.41Å; D1703-S1706 PolarHBondContact O-N 3.23Å; D1703-S1706 PolarHBondContact O-OG 3.21Å |
| 1704 | I | 33 | Very low | 32 | Very low | 69 Ų | 69 | 97.5 Ų | 97.5 | 35% | 0.354 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.1 | -32.4 | -176 | -66.1 | 168.5 | 0 | 0 | 0 | 112.5 | A1700 T1707 Q1822 | A1700-I1704 WeakPolarHBondContact O-CG1 3.34Å; I1704-T1707 PolarHBondContact O-OG1 2.87Å; I1704-Q1822 HydrophobicContact CD1-CG 4.23Å |
| 1705 | K | 34.6 | Very low | 31.4 | Very low | 191 Ų | 191 | 97.6 Ų | 97.6 | 83% | 0.83 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 2 | 178.7 | -70.2 | -165.4 | 171.9 | -169.5 | 0 | 114.6 | D1703 | D1703-K1705 PolarHBondContact O-N 3.15Å; D1703-K1705 VanDerWaalsContact O-N 3.14Å |
| 1706 | S | 28.6 | Very low | 31 | Very low | 83 Ų | 83 | 103 Ų | 103 | 58% | 0.58 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -10 | -178 | 76.4 | 0 | 0 | 0 | 0 | 114.8 | D1703 G1708 | D1703-S1706 WeakPolarHBondContact O-CB 3.41Å; D1703-S1706 PolarHBondContact O-N 3.23Å; D1703-S1706 PolarHBondContact O-OG 3.21Å; S1706-G1708 PolarHBondContact O-N 3.46Å |
| 1707 | T | 25.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 104.2 Ų | 104.2 | 77% | 0.767 | 60% | 0.597 | S | S | * | * | trans | -75.9 | 33.9 | -176.6 | 49.7 | 0 | 0 | 0 | 0 | 113.9 | I1704 | I1704-T1707 PolarHBondContact O-OG1 2.87Š| ||
| 1708 | G | 28.5 | Very low | 30.1 | Very low | 53 Ų | 53 | 106.7 Ų | 106.7 | 55% | 0.546 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -124.6 | 89 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1706 | S1706-G1708 PolarHBondContact O-N 3.46Š|
| 1709 | T | 28.8 | Very low | 29.7 | Very low | 149 Ų | 149 | 110 Ų | 110 | 91% | 0.914 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 71.4 | 135.9 | 167.7 | 74.8 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1710 | G | 27.6 | Very low | 29.6 | Very low | 76 Ų | 76 | 110.9 Ų | 110.9 | 78% | 0.784 | 64% | 0.635 | S | S | * | * | trans | 93.6 | 51.3 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1711 | D | 25.8 | Very low | 29.2 | Very low | 129 Ų | 129 | 110.9 Ų | 110.9 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | trans | 24.3 | 128.3 | 150.9 | -168.4 | 32.4 | 0 | 0 | 0 | 119.9 | ||||
| 1712 | R | 25.8 | Very low | 29.1 | Very low | 208 Ų | 208 | 111.2 Ų | 111.2 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | trans | 87.5 | 72.6 | 167.2 | -46.3 | -178.9 | -171.7 | -162 | -4.2 | 120.1 | ||||
| 1713 | C | 24.7 | Very low | 28.8 | Very low | 126 Ų | 126 | 112.8 Ų | 112.8 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | trans | -143 | 26.3 | 144.5 | -104.9 | 0 | 0 | 0 | 0 | 114 | S1715 | C1713-S1715 VanDerWaalsContact C-N 3.35Å; C1713-S1715 PolarHBondContact O-N 3.19Å | ||
| 1714 | L | 24.7 | Very low | 28.8 | Very low | 170 Ų | 170 | 111.8 Ų | 111.8 | 89% | 0.89 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 66.8 | -176.2 | -73.2 | 167.9 | 0 | 0 | 0 | 113.5 | ||
| 1715 | S | 26.1 | Very low | 28.7 | Very low | 86 Ų | 86 | 113.5 Ų | 113.5 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.3 | 3.3 | 174.8 | 65.4 | 0 | 0 | 0 | 0 | 117.7 | C1713 | C1713-S1715 VanDerWaalsContact C-N 3.35Å; C1713-S1715 PolarHBondContact O-N 3.19Å |
| 1716 | H | 25.3 | Very low | 28.4 | Very low | 142 Ų | 142 | 109.3 Ų | 109.3 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | trans | -128.7 | 35.3 | -176.9 | -67.9 | -33.8 | 0 | 0 | 0 | 114.3 | N1718 | H1716-N1718 VanDerWaalsContact C-N 3.26Å; H1716-N1718 PolarHBondContact O-N 3.47Å | ||
| 1717 | T | 30.9 | Very low | 28.5 | Very low | 102 Ų | 102 | 108.1 Ų | 108.1 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -75.6 | -8.2 | 171 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | D1719 | T1717-D1719 VanDerWaalsContact C-N 3.35Å; T1717-D1719 PolarHBondContact O-N 3.38Å |
| 1718 | N | 29.5 | Very low | 28.8 | Very low | 145 Ų | 145 | 109.4 Ų | 109.4 | 78% | 0.775 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -78.4 | -8.5 | -171.5 | -76.7 | 8.6 | 0 | 0 | 0 | 115.5 | H1716 | H1716-N1718 VanDerWaalsContact C-N 3.26Å; H1716-N1718 PolarHBondContact O-N 3.47Å |
| 1719 | D | 29.9 | Very low | 28.8 | Very low | 83 Ų | 83 | 111.1 Ų | 111.1 | 44% | 0.444 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -109.5 | 19.3 | -175.6 | -61.8 | -38.4 | 0 | 0 | 0 | 113.7 | T1717 Q1739 | T1717-D1719 VanDerWaalsContact C-N 3.35Å; T1717-D1719 PolarHBondContact O-N 3.38Å; D1719-Q1739 HydrophobicContact CB-CG 3.46Å; D1719-Q1739 VanDerWaalsContact CB-CG 3.46Å; D1719-Q1739 PolarHBondContact O-N 2.72Å; D1719-Q1739 PolarHBondContact OD2-NE2 3.46Å |
| 1720 | I | 31.8 | Very low | 28.7 | Very low | 83 Ų | 83 | 107.2 Ų | 107.2 | 43% | 0.426 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82 | 121.4 | 166.4 | -58.2 | 179.9 | 0 | 0 | 0 | 108.2 | V1722 I1736 F1737 N1738 | I1720-V1722 HydrophobicContact CG2-CG2 4.45Å; I1720-I1736 HydrophobicContact CG2-CG2 4.29Å; I1720-F1737 CarbonylContact C-O 3.51Å; I1720-F1737 VanDerWaalsContact CA-O 3.31Å; I1720-F1737 WeakPolarHBondContact CA-O 3.48Å; I1720-F1737 WeakPolarHBondContact CG2-O 3.48Å; I1720-N1738 HydrophobicContact CG1-CB 4.14Å |
| 1721 | S | 30.5 | Very low | 28.8 | Very low | 38 Ų | 38 | 106.2 Ų | 106.2 | 27% | 0.266 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.9 | 179.7 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | F1737 | S1721-F1737 PolarHBondContact N-O 2.74Å; S1721-F1737 PolarHBondContact O-N 3.26Å |
| 1722 | V | 32.1 | Very low | 29 | Very low | 80 Ų | 80 | 100.5 Ų | 100.5 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.4 | 179.8 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | I1720 L1734 T1735 I1736 | I1720-V1722 HydrophobicContact CG2-CG2 4.45Å; V1722-L1734 HydrophobicContact CG1-CD1 3.61Å; V1722-L1734 HydrophobicContact CG1-CG 3.87Å; V1722-T1735 WeakPolarHBondContact CA-O 3.28Å; V1722-I1736 HydrophobicContact CG1-CG1 4.21Å; V1722-I1736 HydrophobicContact CG2-CG1 4.22Å; V1722-I1736 HydrophobicContact CG2-CG2 4.3Å |
| 1723 | Y | 29.7 | Very low | 29.3 | Very low | 119 Ų | 119 | 91.9 Ų | 91.9 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.9 | 179.5 | -62.7 | -88 | 0 | 0 | 0 | 110 | H1725 T1733 T1735 F1737 | Y1723-H1725 WeakPolarHBondContact CB-NE2 3.37Å; Y1723-T1733 VanDerWaalsContact O-O 3.1Å; Y1723-T1735 PolarHBondContact N-O 2.92Å; Y1723-T1735 PolarHBondContact O-N 2.95Å; Y1723-T1735 PolarHBondContact O-OG1 2.95Å; Y1723-T1735 VanDerWaalsContact O-OG1 3.12Å; Y1723-F1737 AromaticContact CD2-CD2 3.79Å; Y1723-F1737 HydrophobicContact CD2-CD2 3.79Å; Y1723-F1737 AromaticContact CD2-CE2 3.98Å; Y1723-F1737 HydrophobicContact CD2-CE2 3.98Å; Y1723-F1737 HydrophobicContact CE2-CD2 4.13Å |
| 1724 | L | 30.4 | Very low | 29.5 | Very low | 91 Ų | 91 | 86.5 Ų | 86.5 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 92 | 173.4 | -170.7 | 69.5 | 0 | 0 | 0 | 109.8 | K1726 N1732 T1733 L1734 Y1748 | L1724-K1726 PolarHBondContact O-N 3.1Å; L1724-N1732 HydrophobicContact CD1-CB 4.07Å; L1724-T1733 CarbonylContact C-O 3.48Å; L1724-T1733 WeakPolarHBondContact CA-O 3.3Å; L1724-L1734 HydrophobicContact CD1-CB 3.98Å; L1724-L1734 HydrophobicContact CD1-CD1 4.03Å; L1724-Y1748 HydrophobicContact CD1-CE1 4.2Å; L1724-Y1748 WeakPolarHBondContact CD1-OH 3.14Å |
| 1725 | H | 31.7 | Very low | 30 | Very low | 104 Ų | 104 | 79.4 Ų | 79.4 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 102.1 | 179.7 | -63.4 | -64.9 | 0 | 0 | 0 | 111.1 | Y1723 T1727 T1733 T1735 | Y1723-H1725 WeakPolarHBondContact CB-NE2 3.37Å; H1725-T1727 PolarHBondContact O-N 3.43Å; H1725-T1733 PolarHBondContact N-O 2.88Å; H1725-T1733 WeakPolarHBondContact O-CB 3.22Å; H1725-T1733 PolarHBondContact O-N 2.95Å; H1725-T1733 PolarHBondContact O-OG1 3.45Å; H1725-T1735 PolarHBondContact CD2-OG1 2.99Å |
| 1726 | K | 28.1 | Very low | 30.4 | Very low | 103 Ų | 103 | 76.4 Ų | 76.4 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 113.6 | 169.9 | -163.1 | 158.8 | -167.1 | 162.1 | 0 | 109.8 | L1724 K1730 N1732 D1750 | L1724-K1726 PolarHBondContact O-N 3.1Å; K1726-K1730 WeakPolarHBondContact CE-O 3.49Å; K1726-N1732 VanDerWaalsContact CD-OD1 3.25Å; K1726-N1732 WeakPolarHBondContact CD-OD1 3.25Å; K1726-N1732 VanDerWaalsContact CG-OD1 3.27Å; K1726-N1732 WeakPolarHBondContact CG-OD1 3.32Å; K1726-D1750 VanDerWaalsContact CE-CG 3.49Å; K1726-D1750 WeakPolarHBondContact CE-OD2 3.34Å; K1726-D1750 IonicContact NZ-OD1 3.63Å; K1726-D1750 PolarHBondContact NZ-OD1 3.09Å; K1726-D1750 IonicContact NZ-OD2 3.99Å; K1726-D1750 PolarHBondContact NZ-OD2 3.39Å |
| 1727 | T | 31 | Very low | 30.7 | Very low | 58 Ų | 58 | 72.4 Ų | 72.4 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | trans | -70.5 | 169.4 | 178.7 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | H1725 T1729 K1730 I1731 | H1725-T1727 PolarHBondContact O-N 3.43Å; T1727-T1729 PolarHBondContact O-N 3.11Å; T1727-T1729 PolarHBondContact OG1-OG1 3.2Å; T1727-K1730 WeakPolarHBondContact O-CA 3.44Å; T1727-K1730 PolarHBondContact O-N 2.72Å; T1727-I1731 WeakPolarHBondContact CB-O 3.06Å; T1727-I1731 WeakPolarHBondContact CG2-O 3.42Å; T1727-I1731 PolarHBondContact N-O 2.99Å; T1727-I1731 WeakPolarHBondContact OG1-CB 3.2Å; T1727-I1731 PolarHBondContact OG1-N 3.37Å; T1727-I1731 VanDerWaalsContact OG1-N 3.15Å; T1727-I1731 PolarHBondContact OG1-O 3.24Å | ||
| 1728 | V | 32.6 | Very low | 31 | Very low | 153 Ų | 153 | 70.3 Ų | 70.3 | 93% | 0.927 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -29.1 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | K1730 | V1728-K1730 PolarHBondContact O-N 2.89Š|
| 1729 | T | 28.2 | Very low | 31.3 | Very low | 89 Ų | 89 | 68.9 Ų | 68.9 | 55% | 0.546 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 19.9 | 170.6 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | T1727 I1731 Y1757 | T1727-T1729 PolarHBondContact O-N 3.11Å; T1727-T1729 PolarHBondContact OG1-OG1 3.2Å; T1729-I1731 PolarHBondContact O-N 3.33Å; T1729-Y1757 PolarHBondContact O-OH 3.06Å; T1729-Y1757 VanDerWaalsContact O-OH 3.09Å |
| 1730 | K | 26.7 | Very low | 31.4 | Very low | 66 Ų | 66 | 72.3 Ų | 72.3 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | trans | 60.7 | -2.3 | 179.7 | -45.7 | 173.8 | -165.2 | 165.9 | 0 | 116.6 | K1726 T1727 V1728 N1732 D1750 H1753 D1756 | K1726-K1730 WeakPolarHBondContact CE-O 3.49Å; T1727-K1730 WeakPolarHBondContact O-CA 3.44Å; T1727-K1730 PolarHBondContact O-N 2.72Å; V1728-K1730 PolarHBondContact O-N 2.89Å; K1730-N1732 PolarHBondContact O-N 3.12Å; K1730-D1750 HydrophobicContact CB-CB 4.33Å; K1730-D1750 VanDerWaalsContact O-CB 3.31Å; K1730-D1750 WeakPolarHBondContact O-CB 3.46Å; K1730-H1753 HydrophobicContact CD-CB 3.85Å; K1730-H1753 VanDerWaalsContact CD-CG 3.48Å; K1730-H1753 PolarHBondContact NZ-CD2 2.9Å; K1730-D1756 IonicContact NZ-OD2 3.97Å; K1730-D1756 PolarHBondContact NZ-OD2 2.83Å | ||
| 1731 | I | 29.9 | Very low | 31.2 | Very low | 56 Ų | 56 | 75.8 Ų | 75.8 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | trans | -55.9 | 125.4 | 169.3 | -60.6 | 163.2 | 0 | 0 | 0 | 108.7 | T1727 T1729 Y1748 L1749 | T1727-I1731 WeakPolarHBondContact CB-O 3.06Å; T1727-I1731 WeakPolarHBondContact CG2-O 3.42Å; T1727-I1731 PolarHBondContact N-O 2.99Å; T1727-I1731 WeakPolarHBondContact OG1-CB 3.2Å; T1727-I1731 PolarHBondContact OG1-N 3.37Å; T1727-I1731 VanDerWaalsContact OG1-N 3.15Å; T1727-I1731 PolarHBondContact OG1-O 3.24Å; T1729-I1731 PolarHBondContact O-N 3.33Å; I1731-Y1748 WeakPolarHBondContact CG2-O 3.48Å; I1731-L1749 HydrophobicContact CD1-CD2 4.41Å; I1731-L1749 HydrophobicContact CG1-CD2 3.63Å; I1731-L1749 HydrophobicContact CG1-CG 4.3Å | ||
| 1732 | N | 30.2 | Very low | 31.3 | Very low | 9 Ų | 9 | 78.5 Ų | 78.5 | 5% | 0.048 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 137.5 | 178.2 | -64.2 | -53.7 | 0 | 0 | 0 | 110.2 | L1724 K1726 K1730 T1747 Y1748 D1750 | L1724-N1732 HydrophobicContact CD1-CB 4.07Å; K1726-N1732 VanDerWaalsContact CD-OD1 3.25Å; K1726-N1732 WeakPolarHBondContact CD-OD1 3.25Å; K1726-N1732 VanDerWaalsContact CG-OD1 3.27Å; K1726-N1732 WeakPolarHBondContact CG-OD1 3.32Å; K1730-N1732 PolarHBondContact O-N 3.12Å; N1732-T1747 WeakPolarHBondContact O-CA 3.46Å; N1732-Y1748 WeakPolarHBondContact CA-O 3.18Å; N1732-Y1748 HydrophobicContact CB-CD2 3.94Å; N1732-Y1748 HydrophobicContact CB-CE1 4.48Å; N1732-Y1748 HydrophobicContact CB-CE2 3.66Å; N1732-Y1748 HydrophobicContact CB-CG 4.47Å; N1732-Y1748 PolarHBondContact N-O 3.39Å; N1732-Y1748 PolarHBondContact O-N 3.31Å; N1732-Y1748 VanDerWaalsContact O-O 3.09Å; N1732-D1750 PolarHBondContact ND2-OD1 3.28Å |
| 1733 | T | 31.2 | Very low | 31.3 | Very low | 27 Ų | 27 | 79.1 Ų | 79.1 | 17% | 0.166 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 105.7 | -178.4 | -46.2 | 0 | 0 | 0 | 0 | 109.6 | Y1723 L1724 H1725 T1735 Y1746 T1747 | Y1723-T1733 VanDerWaalsContact O-O 3.1Å; L1724-T1733 CarbonylContact C-O 3.48Å; L1724-T1733 WeakPolarHBondContact CA-O 3.3Å; H1725-T1733 PolarHBondContact N-O 2.88Å; H1725-T1733 WeakPolarHBondContact O-CB 3.22Å; H1725-T1733 PolarHBondContact O-N 2.95Å; H1725-T1733 PolarHBondContact O-OG1 3.45Å; T1733-T1735 HydrophobicContact CG2-CG2 4.42Å; T1733-T1735 PolarHBondContact O-N 3.13Å; T1733-Y1746 CarbonylContact C-O 3.54Å; T1733-T1747 HydrophobicContact CG2-CG2 3.7Å |
| 1734 | L | 30 | Very low | 31.3 | Very low | 13 Ų | 13 | 76.9 Ų | 76.9 | 7% | 0.068 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 100.6 | 178.3 | -174.7 | 105 | 0 | 0 | 0 | 109.9 | V1695 V1722 L1724 I1736 S1745 Y1746 Y1748 | V1695-L1734 HydrophobicContact CG1-CD1 4.39Å; V1695-L1734 HydrophobicContact CG1-CD2 4.13Å; V1695-L1734 HydrophobicContact CG2-CD1 4.18Å; V1695-L1734 HydrophobicContact CG2-CD2 4.17Å; V1722-L1734 HydrophobicContact CG1-CD1 3.61Å; V1722-L1734 HydrophobicContact CG1-CG 3.87Å; L1724-L1734 HydrophobicContact CD1-CB 3.98Å; L1724-L1734 HydrophobicContact CD1-CD1 4.03Å; L1734-I1736 HydrophobicContact CD2-CD1 4.07Å; L1734-I1736 HydrophobicContact CD2-CG1 4.14Å; L1734-S1745 WeakPolarHBondContact O-CA 3.46Å; L1734-Y1746 HydrophobicContact CD2-CD2 4.43Å; L1734-Y1746 PolarHBondContact N-O 3.01Å; L1734-Y1746 PolarHBondContact O-N 2.86Å; L1734-Y1748 HydrophobicContact CB-CE1 4.15Å |
| 1735 | T | 33.9 | Very low | 31.3 | Very low | 20 Ų | 20 | 75.7 Ų | 75.7 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.3 | 173.5 | 39.1 | 0 | 0 | 0 | 0 | 110.9 | V1722 Y1723 H1725 T1733 L1742 | V1722-T1735 WeakPolarHBondContact CA-O 3.28Å; Y1723-T1735 PolarHBondContact N-O 2.92Å; Y1723-T1735 PolarHBondContact O-N 2.95Å; Y1723-T1735 PolarHBondContact O-OG1 2.95Å; Y1723-T1735 VanDerWaalsContact O-OG1 3.12Å; H1725-T1735 PolarHBondContact CD2-OG1 2.99Å; T1733-T1735 HydrophobicContact CG2-CG2 4.42Å; T1733-T1735 PolarHBondContact O-N 3.13Å; T1735-L1742 HydrophobicContact CG2-CD1 4.32Å |
| 1736 | I | 34.1 | Very low | 31.1 | Very low | 24 Ų | 24 | 75.2 Ų | 75.2 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.9 | -178 | -57.7 | 174.7 | 0 | 0 | 0 | 108.8 | I1720 V1722 L1734 L1743 D1744 | I1720-I1736 HydrophobicContact CG2-CG2 4.29Å; V1722-I1736 HydrophobicContact CG1-CG1 4.21Å; V1722-I1736 HydrophobicContact CG2-CG1 4.22Å; V1722-I1736 HydrophobicContact CG2-CG2 4.3Å; L1734-I1736 HydrophobicContact CD2-CD1 4.07Å; L1734-I1736 HydrophobicContact CD2-CG1 4.14Å; I1736-L1743 HydrophobicContact CB-CB 4.36Å; I1736-L1743 HydrophobicContact CG2-CB 3.96Å; I1736-L1743 HydrophobicContact CG2-CD1 4.38Å; I1736-L1743 WeakPolarHBondContact O-CB 3.37Å; I1736-L1743 PolarHBondContact O-N 3.37Å; I1736-D1744 PolarHBondContact N-O 3.08Å; I1736-D1744 PolarHBondContact O-N 3Å |
| 1737 | F | 31.8 | Very low | 31.1 | Very low | 57 Ų | 57 | 75.2 Ų | 75.2 | 25% | 0.25 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.3 | 176.2 | -62.5 | -97.9 | 0 | 0 | 0 | 111.3 | I1720 S1721 Y1723 Q1741 L1742 | I1720-F1737 CarbonylContact C-O 3.51Å; I1720-F1737 VanDerWaalsContact CA-O 3.31Å; I1720-F1737 WeakPolarHBondContact CA-O 3.48Å; I1720-F1737 WeakPolarHBondContact CG2-O 3.48Å; S1721-F1737 PolarHBondContact N-O 2.74Å; S1721-F1737 PolarHBondContact O-N 3.26Å; Y1723-F1737 AromaticContact CD2-CD2 3.79Å; Y1723-F1737 HydrophobicContact CD2-CD2 3.79Å; Y1723-F1737 AromaticContact CD2-CE2 3.98Å; Y1723-F1737 HydrophobicContact CD2-CE2 3.98Å; Y1723-F1737 HydrophobicContact CE2-CD2 4.13Å; F1737-Q1741 CarbonylContact C-O 3.58Å; F1737-Q1741 VanDerWaalsContact CA-O 3.25Å; F1737-Q1741 WeakPolarHBondContact CA-O 3.27Å; F1737-L1742 HydrophobicContact CD1-CB 4.02Å; F1737-L1742 HydrophobicContact CD1-CD1 4.05Å; F1737-L1742 HydrophobicContact CD2-CD1 4.37Å; F1737-L1742 HydrophobicContact CE1-CB 3.88Å; F1737-L1742 HydrophobicContact CE1-CD1 3.65Å; F1737-L1742 HydrophobicContact CE1-CG 4.38Å; F1737-L1742 HydrophobicContact CE2-CD1 4.02Å; F1737-L1742 HydrophobicContact CG-CD1 4.4Å; F1737-L1742 HydrophobicContact CZ-CD1 3.64Å |
| 1738 | N | 38.8 | Very low | 31.1 | Very low | 58 Ų | 58 | 74.4 Ų | 74.4 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.4 | 166.3 | -177.2 | 5.5 | 0 | 0 | 0 | 108.9 | I1720 N1740 Q1741 L1743 | I1720-N1738 HydrophobicContact CG1-CB 4.14Å; N1738-N1740 PolarHBondContact O-N 3.29Å; N1738-N1740 VanDerWaalsContact O-N 3.1Å; N1738-Q1741 PolarHBondContact N-O 3.19Å; N1738-Q1741 PolarHBondContact O-N 2.99Å; N1738-L1743 HydrophobicContact CB-CD1 3.91Å |
| 1739 | Q | 34 | Very low | 30.9 | Very low | 116 Ų | 116 | 70.7 Ų | 70.7 | 54% | 0.542 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | 46.7 | -178.1 | -66.8 | -172.6 | -13.2 | 0 | 0 | 114.4 | D1719 Q1741 | D1719-Q1739 HydrophobicContact CB-CG 3.46Å; D1719-Q1739 VanDerWaalsContact CB-CG 3.46Å; D1719-Q1739 PolarHBondContact O-N 2.72Å; D1719-Q1739 PolarHBondContact OD2-NE2 3.46Å; Q1739-Q1741 VanDerWaalsContact C-N 3.33Å; Q1739-Q1741 PolarHBondContact O-N 3.33Å |
| 1740 | N | 32.2 | Very low | 31.1 | Very low | 154 Ų | 154 | 67 Ų | 67 | 82% | 0.824 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 0.6 | -177.5 | -47.4 | -59.9 | 0 | 0 | 0 | 117.5 | N1738 | N1738-N1740 PolarHBondContact O-N 3.29Å; N1738-N1740 VanDerWaalsContact O-N 3.1Å |
| 1741 | Q | 28.9 | Very low | 31.2 | Very low | 157 Ų | 157 | 66.3 Ų | 66.3 | 73% | 0.734 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.8 | 162.6 | -68.2 | -170.8 | -14.4 | 0 | 0 | 109.4 | F1737 N1738 Q1739 L1743 | F1737-Q1741 CarbonylContact C-O 3.58Å; F1737-Q1741 VanDerWaalsContact CA-O 3.25Å; F1737-Q1741 WeakPolarHBondContact CA-O 3.27Å; N1738-Q1741 PolarHBondContact N-O 3.19Å; N1738-Q1741 PolarHBondContact O-N 2.99Å; Q1739-Q1741 VanDerWaalsContact C-N 3.33Å; Q1739-Q1741 PolarHBondContact O-N 3.33Å; Q1741-L1743 PolarHBondContact O-N 3.09Å |
| 1742 | L | 31.8 | Very low | 31.2 | Very low | 95 Ų | 95 | 70.4 Ų | 70.4 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 120.3 | 168.7 | -178.7 | 74.7 | 0 | 0 | 0 | 107.8 | T1735 F1737 | T1735-L1742 HydrophobicContact CG2-CD1 4.32Å; F1737-L1742 HydrophobicContact CD1-CB 4.02Å; F1737-L1742 HydrophobicContact CD1-CD1 4.05Å; F1737-L1742 HydrophobicContact CD2-CD1 4.37Å; F1737-L1742 HydrophobicContact CE1-CB 3.88Å; F1737-L1742 HydrophobicContact CE1-CD1 3.65Å; F1737-L1742 HydrophobicContact CE1-CG 4.38Å; F1737-L1742 HydrophobicContact CE2-CD1 4.02Å; F1737-L1742 HydrophobicContact CG-CD1 4.4Å; F1737-L1742 HydrophobicContact CZ-CD1 3.64Å |
| 1743 | L | 32.8 | Very low | 31.2 | Very low | 93 Ų | 93 | 72.8 Ų | 72.8 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -48.6 | 177.5 | -122 | 162.9 | 0 | 0 | 0 | 110 | I1736 N1738 Q1741 | I1736-L1743 HydrophobicContact CB-CB 4.36Å; I1736-L1743 HydrophobicContact CG2-CB 3.96Å; I1736-L1743 HydrophobicContact CG2-CD1 4.38Å; I1736-L1743 WeakPolarHBondContact O-CB 3.37Å; I1736-L1743 PolarHBondContact O-N 3.37Å; N1738-L1743 HydrophobicContact CB-CD1 3.91Å; Q1741-L1743 PolarHBondContact O-N 3.09Å |
| 1744 | D | 29.1 | Very low | 31.1 | Very low | 71 Ų | 71 | 75 Ų | 75 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 170.5 | 177.6 | -146.6 | -23.1 | 0 | 0 | 0 | 112.3 | I1736 Y1746 | I1736-D1744 PolarHBondContact N-O 3.08Å; I1736-D1744 PolarHBondContact O-N 3Å; D1744-Y1746 HydrophobicContact CB-CD2 4.44Å; D1744-Y1746 HydrophobicContact CB-CE2 3.69Å; D1744-Y1746 WeakPolarHBondContact OD2-CE2 3.33Å; D1744-Y1746 VanDerWaalsContact OD2-CZ 3.22Å; D1744-Y1746 PolarHBondContact OD2-OH 3.12Å |
| 1745 | S | 30 | Very low | 30.8 | Very low | 66 Ų | 66 | 81.8 Ų | 81.8 | 46% | 0.462 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 123 | 177.9 | 66 | 0 | 0 | 0 | 0 | 114.2 | L1734 | L1734-S1745 WeakPolarHBondContact O-CA 3.46Å |
| 1746 | Y | 28.1 | Very low | 30.5 | Very low | 94 Ų | 94 | 85.2 Ų | 85.2 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.1 | -175.1 | -64.6 | -91.3 | 0 | 0 | 0 | 111.9 | A1698 T1733 L1734 D1744 | A1698-Y1746 HydrophobicContact CB-CD2 4.43Å; A1698-Y1746 HydrophobicContact CB-CE1 4.2Å; A1698-Y1746 HydrophobicContact CB-CE2 3.87Å; T1733-Y1746 CarbonylContact C-O 3.54Å; L1734-Y1746 HydrophobicContact CD2-CD2 4.43Å; L1734-Y1746 PolarHBondContact N-O 3.01Å; L1734-Y1746 PolarHBondContact O-N 2.86Å; D1744-Y1746 HydrophobicContact CB-CD2 4.44Å; D1744-Y1746 HydrophobicContact CB-CE2 3.69Å; D1744-Y1746 WeakPolarHBondContact OD2-CE2 3.33Å; D1744-Y1746 VanDerWaalsContact OD2-CZ 3.22Å; D1744-Y1746 PolarHBondContact OD2-OH 3.12Å |
| 1747 | T | 28.4 | Very low | 30.3 | Very low | 104 Ų | 104 | 86.1 Ų | 86.1 | 64% | 0.638 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.2 | 176.6 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | N1732 T1733 | N1732-T1747 WeakPolarHBondContact O-CA 3.46Å; T1733-T1747 HydrophobicContact CG2-CG2 3.7Å |
| 1748 | Y | 30.3 | Very low | 30 | Very low | 40 Ų | 40 | 86.1 Ų | 86.1 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 150 | 176.3 | 59 | -93.7 | 0 | 0 | 0 | 112.9 | T1691 V1695 L1724 I1731 N1732 L1734 | T1691-Y1748 HydrophobicContact CG2-CD2 3.49Å; T1691-Y1748 VanDerWaalsContact CG2-CD2 3.49Å; T1691-Y1748 HydrophobicContact CG2-CE2 3.47Å; T1691-Y1748 VanDerWaalsContact CG2-CE2 3.47Å; V1695-Y1748 HydrophobicContact CG2-CE1 4.47Å; L1724-Y1748 HydrophobicContact CD1-CE1 4.2Å; L1724-Y1748 WeakPolarHBondContact CD1-OH 3.14Å; I1731-Y1748 WeakPolarHBondContact CG2-O 3.48Å; N1732-Y1748 WeakPolarHBondContact CA-O 3.18Å; N1732-Y1748 HydrophobicContact CB-CD2 3.94Å; N1732-Y1748 HydrophobicContact CB-CE1 4.48Å; N1732-Y1748 HydrophobicContact CB-CE2 3.66Å; N1732-Y1748 HydrophobicContact CB-CG 4.47Å; N1732-Y1748 PolarHBondContact N-O 3.39Å; N1732-Y1748 PolarHBondContact O-N 3.31Å; N1732-Y1748 VanDerWaalsContact O-O 3.09Å; L1734-Y1748 HydrophobicContact CB-CE1 4.15Å |
| 1749 | L | 29.2 | Very low | 29.4 | Very low | 75 Ų | 75 | 84.5 Ų | 84.5 | 39% | 0.393 | 43% | 0.43 | S | S | . | . | trans | -70.5 | 159.4 | 178.1 | -79.4 | 154.2 | 0 | 0 | 0 | 112.2 | I1731 P1751 Y1757 | I1731-L1749 HydrophobicContact CD1-CD2 4.41Å; I1731-L1749 HydrophobicContact CG1-CD2 3.63Å; I1731-L1749 HydrophobicContact CG1-CG 4.3Å; L1749-P1751 WeakPolarHBondContact O-CD 3.39Å; L1749-Y1757 HydrophobicContact CD2-CD1 4.18Å; L1749-Y1757 HydrophobicContact CD2-CD2 3.92Å; L1749-Y1757 HydrophobicContact CD2-CE1 4.09Å; L1749-Y1757 HydrophobicContact CD2-CE2 3.84Å; L1749-Y1757 HydrophobicContact CD2-CG 4.11Å | ||
| 1750 | D | 33 | Very low | 29.1 | Very low | 12 Ų | 12 | 80.7 Ų | 80.7 | 6% | 0.064 | 41% | 0.413 | C | S | . | . | trans | -97.3 | 106.2 | -177.5 | -171 | 69.2 | 0 | 0 | 0 | 111.2 | K1726 K1730 N1732 I1752 H1753 | K1726-D1750 VanDerWaalsContact CE-CG 3.49Å; K1726-D1750 WeakPolarHBondContact CE-OD2 3.34Å; K1726-D1750 IonicContact NZ-OD1 3.63Å; K1726-D1750 PolarHBondContact NZ-OD1 3.09Å; K1726-D1750 IonicContact NZ-OD2 3.99Å; K1726-D1750 PolarHBondContact NZ-OD2 3.39Å; K1730-D1750 HydrophobicContact CB-CB 4.33Å; K1730-D1750 VanDerWaalsContact O-CB 3.31Å; K1730-D1750 WeakPolarHBondContact O-CB 3.46Å; N1732-D1750 PolarHBondContact ND2-OD1 3.28Å; D1750-I1752 VanDerWaalsContact C-N 3.26Å; D1750-I1752 PolarHBondContact O-N 2.87Å; D1750-H1753 PolarHBondContact O-N 3.11Å; D1750-H1753 IonicContact OD2-CE1 3.38Å; D1750-H1753 IonicContact OD2-CG 3.31Å; D1750-H1753 IonicContact OD2-ND1 3.11Å; D1750-H1753 PolarHBondContact OD2-ND1 3.33Å | ||
| 1751 | P | 27.4 | Very low | 29.1 | Very low | 52 Ų | 52 | 74.9 Ų | 74.9 | 34% | 0.338 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -64.1 | -28.4 | -167.4 | 23.2 | -33.6 | 0 | 0 | 0 | 113.6 | T1691 L1749 H1753 M1754 | T1691-P1751 HydrophobicContact CG2-CG 4.3Å; L1749-P1751 WeakPolarHBondContact O-CD 3.39Å; P1751-H1753 PolarHBondContact O-N 3.07Å; P1751-M1754 WeakPolarHBondContact O-CB 3.41Å; P1751-M1754 PolarHBondContact O-N 3.11Å |
| 1752 | I | 30.6 | Very low | 29.4 | Very low | 141 Ų | 141 | 70.2 Ų | 70.2 | 72% | 0.723 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -54.5 | -24.2 | 174.4 | -59.5 | 173.8 | 0 | 0 | 0 | 112.1 | D1750 | D1750-I1752 VanDerWaalsContact C-N 3.26Å; D1750-I1752 PolarHBondContact O-N 2.87Å |
| 1753 | H | 29.8 | Very low | 29.5 | Very low | 60 Ų | 60 | 69 Ų | 69 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -120.3 | 19.5 | -176.6 | -62.6 | 101.9 | 0 | 0 | 0 | 113.1 | K1730 D1750 P1751 K1755 D1756 Y1757 | K1730-H1753 HydrophobicContact CD-CB 3.85Å; K1730-H1753 VanDerWaalsContact CD-CG 3.48Å; K1730-H1753 PolarHBondContact NZ-CD2 2.9Å; D1750-H1753 PolarHBondContact O-N 3.11Å; D1750-H1753 IonicContact OD2-CE1 3.38Å; D1750-H1753 IonicContact OD2-CG 3.31Å; D1750-H1753 IonicContact OD2-ND1 3.11Å; D1750-H1753 PolarHBondContact OD2-ND1 3.33Å; P1751-H1753 PolarHBondContact O-N 3.07Å; H1753-K1755 PolarHBondContact O-N 3.36Å; H1753-D1756 VanDerWaalsContact O-CB 3.3Å; H1753-D1756 WeakPolarHBondContact O-CB 3.38Å; H1753-D1756 PolarHBondContact O-N 3.41Å; H1753-Y1757 HydrophobicContact CB-CE2 4.5Å; H1753-Y1757 WeakPolarHBondContact O-CE2 3.44Å |
| 1754 | M | 28.8 | Very low | 29.4 | Very low | 72 Ų | 72 | 65.8 Ų | 65.8 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -59.3 | -27.7 | -170.5 | -152.6 | 171.1 | -166.2 | 0 | 0 | 113.6 | I1685 P1751 D1756 Y1757 | I1685-M1754 HydrophobicContact CG2-SD 4.21Å; P1751-M1754 WeakPolarHBondContact O-CB 3.41Å; P1751-M1754 PolarHBondContact O-N 3.11Å; M1754-D1756 PolarHBondContact O-N 2.98Å; M1754-D1756 VanDerWaalsContact O-N 3.14Å; M1754-Y1757 CarbonylContact O-C 3.54Å; M1754-Y1757 WeakPolarHBondContact O-CD2 3.48Å; M1754-Y1757 PolarHBondContact O-N 3.22Å |
| 1755 | K | 24.6 | Very low | 29.3 | Very low | 156 Ų | 156 | 65.1 Ų | 65.1 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -55.4 | -24.5 | 171.2 | -72.5 | -166.5 | 170.2 | -158.8 | 0 | 114.9 | H1753 Y1757 | H1753-K1755 PolarHBondContact O-N 3.36Å; K1755-Y1757 PolarHBondContact O-N 3.09Å |
| 1756 | D | 26.4 | Very low | 29 | Very low | 93 Ų | 93 | 64 Ų | 64 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -71.2 | -5.7 | 177.9 | -59.2 | -6.2 | 0 | 0 | 0 | 112 | K1730 H1753 M1754 | K1730-D1756 IonicContact NZ-OD2 3.97Å; K1730-D1756 PolarHBondContact NZ-OD2 2.83Å; H1753-D1756 VanDerWaalsContact O-CB 3.3Å; H1753-D1756 WeakPolarHBondContact O-CB 3.38Å; H1753-D1756 PolarHBondContact O-N 3.41Å; M1754-D1756 PolarHBondContact O-N 2.98Å; M1754-D1756 VanDerWaalsContact O-N 3.14Å |
| 1757 | Y | 30.4 | Very low | 29.1 | Very low | 43 Ų | 43 | 63.4 Ų | 63.4 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -146.6 | 78 | -177.1 | -13.2 | -97 | 0 | 0 | 0 | 110.9 | H1558 T1729 L1749 H1753 M1754 K1755 | H1558-Y1757 VanDerWaalsContact CE1-C 3.48Å; H1558-Y1757 PolarHBondContact CE1-O 3.28Å; H1558-Y1757 PolarHBondContact NE2-O 2.99Å; T1729-Y1757 PolarHBondContact O-OH 3.06Å; T1729-Y1757 VanDerWaalsContact O-OH 3.09Å; L1749-Y1757 HydrophobicContact CD2-CD1 4.18Å; L1749-Y1757 HydrophobicContact CD2-CD2 3.92Å; L1749-Y1757 HydrophobicContact CD2-CE1 4.09Å; L1749-Y1757 HydrophobicContact CD2-CE2 3.84Å; L1749-Y1757 HydrophobicContact CD2-CG 4.11Å; H1753-Y1757 HydrophobicContact CB-CE2 4.5Å; H1753-Y1757 WeakPolarHBondContact O-CE2 3.44Å; M1754-Y1757 CarbonylContact O-C 3.54Å; M1754-Y1757 WeakPolarHBondContact O-CD2 3.48Å; M1754-Y1757 PolarHBondContact O-N 3.22Å; K1755-Y1757 PolarHBondContact O-N 3.09Å |
| 1758 | L | 25.3 | Very low | 29 | Very low | 57 Ų | 57 | 60.8 Ų | 60.8 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | trans | -151.3 | 0.3 | -169.3 | -125.7 | 147.1 | 0 | 0 | 0 | 120.5 | M1575 F1576 I1577 | M1575-L1758 HydrophobicContact CE-CB 3.85Å; F1576-L1758 PolarHBondContact N-O 2.71Å; F1576-L1758 CarbonylContact O-C 3.6Å; I1577-L1758 HydrophobicContact CD1-CD2 3.76Å; I1577-L1758 HydrophobicContact CD1-CG 3.86Å; I1577-L1758 HydrophobicContact CG1-CD2 4.22Å; I1577-L1758 HydrophobicContact CG1-CG 4.45Å | ||
| 1759 | P | 25.6 | Very low | 28.8 | Very low | 24 Ų | 24 | 64.6 Ų | 64.6 | 16% | 0.156 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -106.3 | 170.7 | 170.6 | 40.1 | -32.8 | 0 | 0 | 0 | 113.4 | H1558 F1559 M1575 F1576 | H1558-P1759 CarbonylContact C-O 3.55Å; H1558-P1759 WeakPolarHBondContact CA-O 3.19Å; H1558-P1759 WeakPolarHBondContact CB-O 3.18Å; H1558-P1759 PolarHBondContact ND1-O 3.08Å; F1559-P1759 PolarHBondContact N-O 3.3Å; F1559-P1759 VanDerWaalsContact N-O 3.12Å; F1559-P1759 CarbonylContact O-C 3.55Å; F1559-P1759 WeakPolarHBondContact O-CA 3.36Å; F1559-P1759 WeakPolarHBondContact O-CB 3.27Å; F1559-P1759 VanDerWaalsContact O-CG 3.3Å; F1559-P1759 WeakPolarHBondContact O-CG 3.18Å; M1575-P1759 HydrophobicContact CB-CB 4.01Å; M1575-P1759 HydrophobicContact CE-CB 3.84Å; M1575-P1759 HydrophobicContact CE-CG 3.79Å; M1575-P1759 HydrophobicContact CG-CB 4.2Å; F1576-P1759 CarbonylContact O-C 3.6Å; F1576-P1759 WeakPolarHBondContact O-CA 3.46Å; F1576-P1759 VanDerWaalsContact O-O 3.14Å |
| 1760 | N | 29 | Very low | 28.8 | Very low | 35 Ų | 35 | 64.7 Ų | 64.7 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | trans | 5.9 | 108.9 | -177.1 | -44.1 | -6 | 0 | 0 | 0 | 121.1 | H1558 F1559 P1560 D1561 F1576 | H1558-N1760 CarbonylContact C-O 3.52Å; H1558-N1760 WeakPolarHBondContact CA-O 3.21Å; F1559-N1760 HydrophobicContact CB-CB 3.97Å; F1559-N1760 HydrophobicContact CD2-CB 3.73Å; F1559-N1760 VanDerWaalsContact CD2-O 3.26Å; F1559-N1760 WeakPolarHBondContact CD2-O 3.31Å; F1559-N1760 HydrophobicContact CG-CB 4.21Å; F1559-N1760 PolarHBondContact N-O 3.37Å; F1559-N1760 VanDerWaalsContact O-CA 3.29Å; F1559-N1760 WeakPolarHBondContact O-CA 3.44Å; F1559-N1760 WeakPolarHBondContact O-CB 3.5Å; F1559-N1760 PolarHBondContact O-N 3Å; F1559-N1760 PolarHBondContact O-ND2 2.97Å; F1559-N1760 PolarHBondContact O-OD1 2.85Å; P1560-N1760 PolarHBondContact O-ND2 2.75Å; P1560-N1760 VanDerWaalsContact O-ND2 3.09Å; D1561-N1760 PolarHBondContact N-ND2 3.48Å; F1576-N1760 WeakPolarHBondContact CD2-OD1 3.33Å; F1576-N1760 PolarHBondContact O-N 2.82Å | ||
| 1761 | L | 32.8 | Very low | 28.7 | Very low | 33 Ų | 33 | 69 Ų | 69 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | -126.5 | 164.2 | 109.9 | -87.3 | -177.2 | 0 | 0 | 0 | 106.2 | C1557 F1559 I1577 M1578 | C1557-L1761 HydrophobicContact CB-CD1 3.46Å; C1557-L1761 VanDerWaalsContact CB-CD1 3.46Å; C1557-L1761 HydrophobicContact CB-CG 3.89Å; C1557-L1761 WeakPolarHBondContact O-CG 3.46Å; F1559-L1761 HydrophobicContact CD2-CD2 4.44Å; F1559-L1761 HydrophobicContact CE2-CD2 3.49Å; F1559-L1761 VanDerWaalsContact CE2-CD2 3.49Å; F1559-L1761 HydrophobicContact CZ-CD2 3.52Å; I1577-L1761 CarbonylContact C-O 3.59Å; M1578-L1761 HydrophobicContact CB-CB 3.43Å; M1578-L1761 VanDerWaalsContact CB-CB 3.43Å; M1578-L1761 HydrophobicContact CE-CB 3.65Å; M1578-L1761 HydrophobicContact CE-CD1 3.91Å; M1578-L1761 HydrophobicContact CE-CD2 3.76Å; M1578-L1761 HydrophobicContact CE-CG 4Å; M1578-L1761 HydrophobicContact CG-CB 3.46Å; M1578-L1761 VanDerWaalsContact CG-CB 3.46Å; M1578-L1761 HydrophobicContact CG-CD1 3.79Å; M1578-L1761 HydrophobicContact CG-CG 4.27Å; M1578-L1761 PolarHBondContact N-O 3.26Å; M1578-L1761 VanDerWaalsContact N-O 3.16Å; M1578-L1761 HydrophobicContact SD-CB 4.26Å | |||
| 1762 | Y | 34 | Very low | 28.8 | Very low | 58 Ų | 58 | 68.1 Ų | 68.1 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | trans | -177.8 | 106.4 | 147.9 | -99.1 | -62.2 | 0 | 0 | 0 | 114.4 | I1577 M1578 T1642 L1643 V1644 | I1577-Y1762 VanDerWaalsContact C-CE2 3.43Å; I1577-Y1762 WeakPolarHBondContact O-CE2 3.25Å; I1577-Y1762 PolarHBondContact O-OH 3.2Å; M1578-Y1762 HydrophobicContact CB-CD1 3.47Å; M1578-Y1762 VanDerWaalsContact CB-CD1 3.47Å; M1578-Y1762 HydrophobicContact CB-CD2 4.42Å; M1578-Y1762 HydrophobicContact CB-CE1 3.95Å; M1578-Y1762 HydrophobicContact CB-CG 3.76Å; T1642-Y1762 VanDerWaalsContact OG1-C 3.32Å; T1642-Y1762 PolarHBondContact OG1-O 2.99Å; L1643-Y1762 HydrophobicContact CB-CE1 3.88Å; L1643-Y1762 WeakPolarHBondContact O-CB 3.24Å; L1643-Y1762 WeakPolarHBondContact O-CD1 3.39Å; L1643-Y1762 WeakPolarHBondContact O-CD2 3.5Å; L1643-Y1762 WeakPolarHBondContact O-CE1 3.49Å; L1643-Y1762 WeakPolarHBondContact O-CE2 3.47Å; V1644-Y1762 VanDerWaalsContact CA-CE2 3.48Å; V1644-Y1762 HydrophobicContact CB-CD2 4.35Å; V1644-Y1762 HydrophobicContact CB-CE2 4.37Å; V1644-Y1762 HydrophobicContact CG2-CD2 3.89Å; V1644-Y1762 HydrophobicContact CG2-CE2 4.4Å; V1644-Y1762 HydrophobicContact CG2-CG 4.35Å | ||
| 1763 | V | 34.6 | Very low | 28.9 | Very low | 71 Ų | 71 | 65.2 Ų | 65.2 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | trans | 175 | 139.3 | 160.1 | -94.4 | 0 | 0 | 0 | 0 | 110.1 | M1578 T1642 D1665 | M1578-V1763 HydrophobicContact CE-CG2 4.33Å; M1578-V1763 VanDerWaalsContact CE-N 3.25Å; M1578-V1763 WeakPolarHBondContact CE-O 3.23Å; M1578-V1763 PolarHBondContact SD-N 2.81Å; T1642-V1763 HydrophobicContact CG2-CG1 4.24Å; T1642-V1763 WeakPolarHBondContact OG1-CA 3.48Å; T1642-V1763 PolarHBondContact OG1-N 3.13Å; D1665-V1763 WeakPolarHBondContact OD1-CG1 3.43Å | ||
| 1764 | P | 29.3 | Very low | 29 | Very low | 24 Ų | 24 | 62.4 Ų | 62.4 | 16% | 0.156 | 35% | 0.346 | C | S | . | . | cis | -139.1 | -159.4 | -49.1 | 13.3 | 12.9 | 0 | 0 | 0 | 115.6 | L1640 S1641 | L1640-P1764 VanDerWaalsContact C-CB 3.48Å; L1640-P1764 VanDerWaalsContact C-CG 3.43Å; L1640-P1764 HydrophobicContact CB-CB 3.49Å; L1640-P1764 VanDerWaalsContact CB-CB 3.49Å; L1640-P1764 HydrophobicContact CB-CG 3.43Å; L1640-P1764 VanDerWaalsContact CB-CG 3.43Å; L1640-P1764 HydrophobicContact CD1-CG 4.48Å; L1640-P1764 WeakPolarHBondContact CD2-O 3.3Å; L1640-P1764 WeakPolarHBondContact O-CG 3.46Å; S1641-P1764 CarbonylContact O-C 3.33Å; S1641-P1764 WeakPolarHBondContact O-CB 3.36Å | ||
| 1765 | T | 27.2 | Very low | 29.9 | Very low | 57 Ų | 57 | 62.1 Ų | 62.1 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -130.9 | 159.7 | 175.2 | 64.8 | 0 | 0 | 0 | 0 | 116.5 | L1640 S1641 I1770 | L1640-T1765 WeakPolarHBondContact CA-O 3.42Å; L1640-T1765 WeakPolarHBondContact CB-O 3.48Å; L1640-T1765 VanDerWaalsContact CD2-C 3.48Å; S1641-T1765 VanDerWaalsContact CA-O 3.3Å; S1641-T1765 WeakPolarHBondContact CA-O 3.36Å; S1641-T1765 PolarHBondContact O-N 2.86Å; S1641-T1765 PolarHBondContact O-OG1 3.36Å; T1765-I1770 HydrophobicContact CG2-CD1 3.91Å; T1765-I1770 HydrophobicContact CG2-CG1 4.38Å; T1765-I1770 WeakPolarHBondContact OG1-CD1 3.08Å; T1765-I1770 WeakPolarHBondContact OG1-CG1 3.41Å |
| 1766 | S | 25.4 | Very low | 30.6 | Very low | 42 Ų | 42 | 60.5 Ų | 60.5 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -123.9 | -22.5 | -158 | 54.1 | 0 | 0 | 0 | 0 | 121.2 | D1638 G1639 G1768 | D1638-S1766 PolarHBondContact OD1-OG 3.37Å; G1639-S1766 WeakPolarHBondContact O-CA 3.13Å; G1639-S1766 WeakPolarHBondContact O-CB 3.23Å; S1766-G1768 PolarHBondContact O-N 3.19Å | ||
| 1767 | N | 28.3 | Very low | 31.5 | Very low | 82 Ų | 82 | 57.4 Ų | 57.4 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -85.7 | 30.7 | -167.5 | -69.2 | -59.3 | 0 | 0 | 0 | 114.7 | F1773 | N1767-F1773 HydrophobicContact CB-CE2 3.96Š|
| 1768 | G | 27 | Very low | 32.1 | Very low | 49 Ų | 49 | 60 Ų | 60 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 81.2 | 171.6 | -160.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1766 | S1766-G1768 PolarHBondContact O-N 3.19Š|
| 1769 | L | 26 | Very low | 33.2 | Very low | 121 Ų | 121 | 63.8 Ų | 63.8 | 63% | 0.634 | 36% | 0.363 | S | S | * | . | trans | -48.1 | 139.5 | -170.3 | -61.7 | 171.3 | 0 | 0 | 0 | 113.3 | S1771 S1772 | L1769-S1771 WeakPolarHBondContact CB-OG 3.47Å; L1769-S1771 PolarHBondContact O-N 3.18Å; L1769-S1772 VanDerWaalsContact O-CB 3.32Å; L1769-S1772 WeakPolarHBondContact O-CB 3.33Å; L1769-S1772 PolarHBondContact O-N 3.02Å; L1769-S1772 PolarHBondContact O-OG 3.35Å | ||
| 1770 | I | 29.7 | Very low | 34.3 | Very low | 77 Ų | 77 | 65.7 Ų | 65.7 | 40% | 0.395 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -57.9 | -23 | 178.2 | -73.6 | 167.9 | 0 | 0 | 0 | 112.9 | L1643 T1765 S1772 F1773 | L1643-I1770 HydrophobicContact CD1-CD1 3.77Å; L1643-I1770 HydrophobicContact CG-CD1 4.33Å; T1765-I1770 HydrophobicContact CG2-CD1 3.91Å; T1765-I1770 HydrophobicContact CG2-CG1 4.38Å; T1765-I1770 WeakPolarHBondContact OG1-CD1 3.08Å; T1765-I1770 WeakPolarHBondContact OG1-CG1 3.41Å; I1770-S1772 PolarHBondContact O-N 3.07Å; I1770-S1772 VanDerWaalsContact O-N 3.15Å; I1770-F1773 PolarHBondContact O-N 3.29Å |
| 1771 | S | 29.8 | Very low | 35 | Very low | 102 Ų | 102 | 65.3 Ų | 65.3 | 71% | 0.713 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -57.8 | -23 | 169.8 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | L1769 | L1769-S1771 WeakPolarHBondContact CB-OG 3.47Å; L1769-S1771 PolarHBondContact O-N 3.18Å |
| 1772 | S | 30.8 | Very low | 35.8 | Very low | 33 Ų | 33 | 63.9 Ų | 63.9 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -83.1 | -16.9 | 171.2 | 74.1 | 0 | 0 | 0 | 0 | 113.9 | L1769 I1770 G1774 L1856 T1857 | L1769-S1772 VanDerWaalsContact O-CB 3.32Å; L1769-S1772 WeakPolarHBondContact O-CB 3.33Å; L1769-S1772 PolarHBondContact O-N 3.02Å; L1769-S1772 PolarHBondContact O-OG 3.35Å; I1770-S1772 PolarHBondContact O-N 3.07Å; I1770-S1772 VanDerWaalsContact O-N 3.15Å; S1772-G1774 PolarHBondContact O-N 3.29Å; S1772-L1856 CarbonylContact O-C 3.36Å; S1772-T1857 WeakPolarHBondContact O-CA 3.42Å; S1772-T1857 WeakPolarHBondContact O-CB 3.48Å; S1772-T1857 PolarHBondContact O-OG1 2.77Å |
| 1773 | F | 31.5 | Very low | 36.7 | Very low | 80 Ų | 80 | 63 Ų | 63 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -82.7 | 72.1 | 170.1 | -102.6 | -96.9 | 0 | 0 | 0 | 109.7 | N1767 I1770 L1775 L1856 | N1767-F1773 HydrophobicContact CB-CE2 3.96Å; I1770-F1773 PolarHBondContact O-N 3.29Å; F1773-L1775 PolarHBondContact O-N 3.11Å; F1773-L1856 CarbonylContact C-O 3.53Å; F1773-L1856 WeakPolarHBondContact CA-O 3.29Å |
| 1774 | G | 33.4 | Very low | 37.6 | Very low | 2 Ų | 2 | 59.7 Ų | 59.7 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | trans | -68.2 | 58.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1772 L1856 Y1858 | S1772-G1774 PolarHBondContact O-N 3.29Å; G1774-L1856 PolarHBondContact N-O 3.02Å; G1774-Y1858 VanDerWaalsContact C-CE2 3.44Å; G1774-Y1858 WeakPolarHBondContact O-CE2 3.38Å | ||
| 1775 | L | 46.4 | Very low | 38.5 | Very low | 65 Ų | 65 | 61.9 Ų | 61.9 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -85.4 | -25.2 | 167.6 | -60.1 | 172.4 | 0 | 0 | 0 | 111.2 | F1773 L1783 T1784 L1856 | F1773-L1775 PolarHBondContact O-N 3.11Å; L1775-L1783 CarbonylContact O-C 3.57Å; L1775-L1783 WeakPolarHBondContact O-CA 3.09Å; L1775-T1784 WeakPolarHBondContact CD2-O 3.18Å; L1775-T1784 PolarHBondContact O-N 3.18Å; L1775-L1856 HydrophobicContact CD2-CD2 3.56Å; L1775-L1856 HydrophobicContact CG-CD2 4.31Å |
| 1776 | I | 40.3 | Very low | 39.6 | Very low | 122 Ų | 122 | 61 Ų | 61 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.3 | -179.7 | -60.7 | 170.2 | 0 | 0 | 0 | 109.8 | L1783 | I1776-L1783 HydrophobicContact CG1-CD1 3.86Å |
| 1777 | Q | 45 | Very low | 40.7 | Very low | 29 Ų | 29 | 64.2 Ų | 64.2 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 95.2 | 171.1 | -179.2 | 63.4 | -91.4 | 0 | 0 | 108.7 | K1779 Y1780 G1781 M1782 Y1858 P1863 | Q1777-K1779 VanDerWaalsContact C-N 3.32Å; Q1777-K1779 PolarHBondContact O-N 3.19Å; Q1777-Y1780 HydrophobicContact CG-CD2 4.01Å; Q1777-Y1780 PolarHBondContact O-N 3.21Å; Q1777-G1781 PolarHBondContact O-N 3.49Å; Q1777-M1782 HydrophobicContact CB-CB 4.24Å; Q1777-M1782 HydrophobicContact CB-CE 4.06Å; Q1777-M1782 HydrophobicContact CG-CE 4.39Å; Q1777-M1782 PolarHBondContact N-O 3.17Å; Q1777-M1782 PolarHBondContact O-N 2.77Å; Q1777-Y1858 HydrophobicContact CB-CD2 4.27Å; Q1777-Y1858 HydrophobicContact CB-CE1 4.26Å; Q1777-Y1858 HydrophobicContact CB-CE2 3.67Å; Q1777-P1863 PolarHBondContact NE2-O 2.81Å |
| 1778 | S | 43.6 | Very low | 41.8 | Very low | 96 Ų | 96 | 62.3 Ų | 62.3 | 67% | 0.671 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -56.3 | -42.6 | -173.7 | 54.7 | 0 | 0 | 0 | 0 | 113 | Y1780 G1781 | S1778-Y1780 PolarHBondContact O-N 3.13Å; S1778-G1781 PolarHBondContact O-N 3.33Å |
| 1779 | K | 47.8 | Very low | 42.9 | Very low | 137 Ų | 137 | 61.8 Ų | 61.8 | 60% | 0.596 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -55.8 | -24 | -177.4 | -169.5 | -179.4 | 177.6 | -157.7 | 0 | 114.4 | Q1777 | Q1777-K1779 VanDerWaalsContact C-N 3.32Å; Q1777-K1779 PolarHBondContact O-N 3.19Å |
| 1780 | Y | 48.5 | Very low | 44.1 | Very low | 64 Ų | 64 | 57.9 Ų | 57.9 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -129.8 | 7.9 | -175.5 | -59.6 | -70 | 0 | 0 | 0 | 114.2 | Q1777 S1778 M1782 P1863 P1902 | Q1777-Y1780 HydrophobicContact CG-CD2 4.01Å; Q1777-Y1780 PolarHBondContact O-N 3.21Å; S1778-Y1780 PolarHBondContact O-N 3.13Å; Y1780-M1782 VanDerWaalsContact C-N 3.27Å; Y1780-M1782 PolarHBondContact O-N 3.06Å; Y1780-P1863 HydrophobicContact CD2-CB 4.26Å; Y1780-P1863 HydrophobicContact CE2-CB 3.71Å; Y1780-P1863 HydrophobicContact CE2-CG 3.93Å; Y1780-P1902 HydrophobicContact CD1-CG 3.47Å; Y1780-P1902 VanDerWaalsContact CD1-CG 3.47Å; Y1780-P1902 HydrophobicContact CD2-CG 4.08Å; Y1780-P1902 HydrophobicContact CE1-CG 3.63Å; Y1780-P1902 HydrophobicContact CE2-CG 4.23Å; Y1780-P1902 HydrophobicContact CG-CG 3.71Å |
| 1781 | G | 44.8 | Very low | 45.1 | Very low | 28 Ų | 28 | 57.7 Ų | 57.7 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 37.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1777 S1778 S1804 | Q1777-G1781 PolarHBondContact O-N 3.49Å; S1778-G1781 PolarHBondContact O-N 3.33Å; G1781-S1804 PolarHBondContact O-N 3.01Å |
| 1782 | M | 49 | Very low | 45.9 | Very low | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.9 | -173.2 | 176.4 | 173.5 | 81.9 | 0 | 0 | 111.3 | Q1777 Y1780 V1801 L1802 I1803 Y1858 L1899 | Q1777-M1782 HydrophobicContact CB-CB 4.24Å; Q1777-M1782 HydrophobicContact CB-CE 4.06Å; Q1777-M1782 HydrophobicContact CG-CE 4.39Å; Q1777-M1782 PolarHBondContact N-O 3.17Å; Q1777-M1782 PolarHBondContact O-N 2.77Å; Y1780-M1782 VanDerWaalsContact C-N 3.27Å; Y1780-M1782 PolarHBondContact O-N 3.06Å; M1782-V1801 HydrophobicContact CG-CG1 3.43Å; M1782-V1801 VanDerWaalsContact CG-CG1 3.43Å; M1782-V1801 HydrophobicContact SD-CG1 3.61Å; M1782-L1802 CarbonylContact C-O 3.58Å; M1782-L1802 WeakPolarHBondContact CA-O 3.07Å; M1782-I1803 HydrophobicContact CB-CG1 4.18Å; M1782-I1803 HydrophobicContact CG-CD1 4.18Å; M1782-I1803 HydrophobicContact CG-CG1 3.96Å; M1782-I1803 HydrophobicContact SD-CD1 4.03Å; M1782-I1803 HydrophobicContact SD-CG1 4.46Å; M1782-Y1858 HydrophobicContact CE-CE1 3.86Å; M1782-L1899 HydrophobicContact CE-CD1 3.7Å; M1782-L1899 HydrophobicContact SD-CD1 4.44Å |
| 1783 | L | 52.4 | Low | 46.8 | Very low | 41 Ų | 41 | 64 Ų | 64 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.8 | 176.7 | 170.3 | 63.6 | 0 | 0 | 0 | 109.7 | L1775 I1776 L1785 V1801 L1802 | L1775-L1783 CarbonylContact O-C 3.57Å; L1775-L1783 WeakPolarHBondContact O-CA 3.09Å; I1776-L1783 HydrophobicContact CG1-CD1 3.86Å; L1783-L1785 HydrophobicContact CD1-CD2 4.06Å; L1783-L1785 HydrophobicContact CD2-CD2 4.24Å; L1783-L1785 HydrophobicContact CG-CD2 4.08Å; L1783-L1785 HydrophobicContact CG-CG 4.34Å; L1783-V1801 CarbonylContact O-C 3.51Å; L1783-V1801 WeakPolarHBondContact O-CA 3.35Å; L1783-L1802 HydrophobicContact CB-CB 4.34Å; L1783-L1802 HydrophobicContact CD2-CD1 4.21Å; L1783-L1802 PolarHBondContact N-O 3.08Å; L1783-L1802 PolarHBondContact O-N 2.92Å |
| 1784 | T | 52.9 | Low | 47.7 | Very low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.9 | 177 | -59 | 0 | 0 | 0 | 0 | 109.5 | L1775 I1786 V1799 V1801 Y1858 I1866 | L1775-T1784 WeakPolarHBondContact CD2-O 3.18Å; L1775-T1784 PolarHBondContact O-N 3.18Å; T1784-I1786 HydrophobicContact CG2-CD1 4.14Å; T1784-I1786 HydrophobicContact CG2-CG1 3.96Å; T1784-V1799 HydrophobicContact CG2-CG1 3.71Å; T1784-V1801 HydrophobicContact CG2-CG2 4Å; T1784-Y1858 PolarHBondContact OG1-OH 2.89Å; T1784-I1866 HydrophobicContact CG2-CD1 3.81Å |
| 1785 | L | 49 | Very low | 49 | Very low | 70 Ų | 70 | 64.2 Ų | 64.2 | 37% | 0.366 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.4 | 175.6 | -58.6 | 174.8 | 0 | 0 | 0 | 109.6 | L1783 V1799 K1800 L1802 | L1783-L1785 HydrophobicContact CD1-CD2 4.06Å; L1783-L1785 HydrophobicContact CD2-CD2 4.24Å; L1783-L1785 HydrophobicContact CG-CD2 4.08Å; L1783-L1785 HydrophobicContact CG-CG 4.34Å; L1785-V1799 CarbonylContact O-C 3.56Å; L1785-V1799 VanDerWaalsContact O-CA 3.3Å; L1785-V1799 WeakPolarHBondContact O-CA 3.29Å; L1785-K1800 WeakPolarHBondContact CB-O 3.37Å; L1785-K1800 PolarHBondContact N-O 3.01Å; L1785-K1800 PolarHBondContact O-N 3.35Å; L1785-L1802 HydrophobicContact CD1-CD1 3.89Å |
| 1786 | I | 49.3 | Very low | 49.8 | Very low | 40 Ų | 40 | 61.1 Ų | 61.1 | 21% | 0.205 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.5 | -178.2 | -54.3 | -168.5 | 0 | 0 | 0 | 110.9 | T1784 L1797 L1798 V1799 L1856 | T1784-I1786 HydrophobicContact CG2-CD1 4.14Å; T1784-I1786 HydrophobicContact CG2-CG1 3.96Å; I1786-L1797 HydrophobicContact CG2-CB 4.25Å; I1786-L1797 HydrophobicContact CG2-CD2 3.74Å; I1786-L1797 HydrophobicContact CG2-CG 4.47Å; I1786-L1798 CarbonylContact C-O 3.55Å; I1786-L1798 WeakPolarHBondContact CA-O 3.42Å; I1786-V1799 HydrophobicContact CD1-CG2 4.3Å; I1786-V1799 HydrophobicContact CG1-CG1 4.17Å; I1786-V1799 HydrophobicContact CG1-CG2 4.09Å; I1786-V1799 HydrophobicContact CG2-CG2 4.3Å; I1786-L1856 HydrophobicContact CD1-CD1 3.71Å; I1786-L1856 HydrophobicContact CD1-CD2 4Å; I1786-L1856 HydrophobicContact CD1-CG 4.41Å |
| 1787 | K | 49.9 | Very low | 50.8 | Low | 109 Ų | 109 | 55.3 Ų | 55.3 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 111.4 | 176.4 | -179.3 | -179.3 | -179.3 | 178.7 | 0 | 110.4 | L1798 | K1787-L1798 HydrophobicContact CB-CB 4.34Å; K1787-L1798 PolarHBondContact N-O 3.32Å; K1787-L1798 PolarHBondContact O-N 2.89Å |
| 1788 | P | 50.7 | Low | 51.5 | Low | 42 Ų | 42 | 56.1 Ų | 56.1 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 129.8 | 174.5 | 26.4 | -32.2 | 0 | 0 | 0 | 112.6 | T1550 F1790 L1797 | T1550-P1788 PolarHBondContact OG1-O 3.31Å; P1788-F1790 HydrophobicContact CB-CD2 3.86Å; P1788-F1790 HydrophobicContact CB-CE2 3.47Å; P1788-F1790 VanDerWaalsContact CB-CE2 3.47Å; P1788-F1790 HydrophobicContact CB-CZ 4.28Å; P1788-F1790 HydrophobicContact CG-CE2 4.32Å; P1788-L1797 HydrophobicContact CB-CD2 3.82Å |
| 1789 | S | 51.1 | Low | 52.4 | Low | 37 Ų | 37 | 51.6 Ų | 51.6 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 92.1 | 176.7 | -165.4 | 0 | 0 | 0 | 0 | 109.3 | D1791 S1796 | S1789-D1791 PolarHBondContact O-N 2.76Å; S1789-S1796 PolarHBondContact N-O 2.78Å; S1789-S1796 PolarHBondContact O-N 2.93Å |
| 1790 | F | 50 | Low | 52.9 | Low | 40 Ų | 40 | 46.7 Ų | 46.7 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 68.4 | -179.9 | -67.1 | -77.3 | 0 | 0 | 0 | 111.3 | T1550 P1788 P1795 L1828 | T1550-F1790 HydrophobicContact CG2-CB 3.95Å; T1550-F1790 HydrophobicContact CG2-CD2 3.77Å; T1550-F1790 HydrophobicContact CG2-CG 4.3Å; T1550-F1790 PolarHBondContact OG1-N 2.87Å; P1788-F1790 HydrophobicContact CB-CD2 3.86Å; P1788-F1790 HydrophobicContact CB-CE2 3.47Å; P1788-F1790 VanDerWaalsContact CB-CE2 3.47Å; P1788-F1790 HydrophobicContact CB-CZ 4.28Å; P1788-F1790 HydrophobicContact CG-CE2 4.32Å; F1790-P1795 HydrophobicContact CD1-CB 3.82Å; F1790-P1795 HydrophobicContact CE1-CB 4.35Å; F1790-L1828 HydrophobicContact CE1-CD1 4.25Å |
| 1791 | D | 50.2 | Low | 53.5 | Low | 72 Ų | 72 | 43.7 Ų | 43.7 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 141.1 | 162.7 | -86.1 | -42.2 | 0 | 0 | 0 | 109.9 | S1789 E1793 T1794 | S1789-D1791 PolarHBondContact O-N 2.76Å; D1791-E1793 PolarHBondContact O-N 3.27Å; D1791-E1793 VanDerWaalsContact O-N 3.07Å; D1791-T1794 CarbonylContact O-C 3.3Å; D1791-T1794 PolarHBondContact O-N 3.46Å |
| 1792 | D | 46.8 | Very low | 53.9 | Low | 93 Ų | 93 | 43.8 Ų | 43.8 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.6 | -162.4 | -101.8 | 14.8 | 0 | 0 | 0 | 114.9 | N1546 | N1546-D1792 WeakPolarHBondContact CB-OD2 3.5Š|
| 1793 | E | 49.4 | Very low | 54.2 | Low | 174 Ų | 174 | 44.7 Ų | 44.7 | 81% | 0.813 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -27.7 | -179.8 | -60 | -170.7 | 161.9 | 0 | 0 | 113.2 | D1791 | D1791-E1793 PolarHBondContact O-N 3.27Å; D1791-E1793 VanDerWaalsContact O-N 3.07Å |
| 1794 | T | 50.8 | Low | 53.9 | Low | 72 Ų | 72 | 44 Ų | 44 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 79.3 | -171.5 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | D1791 I1829 | D1791-T1794 CarbonylContact O-C 3.3Å; D1791-T1794 PolarHBondContact O-N 3.46Å; T1794-I1829 HydrophobicContact CG2-CD1 4.2Å |
| 1795 | P | 62.2 | Low | 53.6 | Low | 15 Ų | 15 | 45.4 Ų | 45.4 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.4 | 176.3 | 28.5 | -36.1 | 0 | 0 | 0 | 111.6 | F1790 L1828 I1829 | F1790-P1795 HydrophobicContact CD1-CB 3.82Å; F1790-P1795 HydrophobicContact CE1-CB 4.35Å; P1795-L1828 HydrophobicContact CB-CB 4.35Å; P1795-L1828 HydrophobicContact CG-CB 4.41Å; P1795-L1828 WeakPolarHBondContact O-CB 3.41Å; P1795-L1828 PolarHBondContact O-N 3.13Å; P1795-I1829 HydrophobicContact CG-CG1 4.32Å |
| 1796 | S | 61.2 | Low | 53.2 | Low | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 170.7 | -178.3 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | S1789 E1825 I1826 | S1789-S1796 PolarHBondContact N-O 2.78Å; S1789-S1796 PolarHBondContact O-N 2.93Å; S1796-E1825 WeakPolarHBondContact CB-OE1 3.44Å; S1796-E1825 PolarHBondContact OG-OE1 3.41Å; S1796-I1826 CarbonylContact C-O 3.57Å; S1796-I1826 WeakPolarHBondContact CA-O 3.48Å; S1796-I1826 VanDerWaalsContact CB-O 3.25Å; S1796-I1826 WeakPolarHBondContact CB-O 2.93Å |
| 1797 | L | 62.1 | Low | 52.7 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.2 | 171.5 | -67.3 | 160.3 | 0 | 0 | 0 | 109 | I1786 P1788 V1799 I1826 L1828 L1853 I1868 | I1786-L1797 HydrophobicContact CG2-CB 4.25Å; I1786-L1797 HydrophobicContact CG2-CD2 3.74Å; I1786-L1797 HydrophobicContact CG2-CG 4.47Å; P1788-L1797 HydrophobicContact CB-CD2 3.82Å; L1797-V1799 HydrophobicContact CB-CG2 4.41Å; L1797-I1826 HydrophobicContact CB-CB 4.31Å; L1797-I1826 PolarHBondContact N-O 3.29Å; L1797-I1826 PolarHBondContact O-N 3.11Å; L1797-L1828 HydrophobicContact CD1-CD1 4.09Å; L1797-L1828 HydrophobicContact CD1-CD2 3.9Å; L1797-L1828 HydrophobicContact CD1-CG 4.33Å; L1797-L1828 HydrophobicContact CG-CD1 3.94Å; L1797-L1828 HydrophobicContact CG-CD2 4.42Å; L1797-L1828 HydrophobicContact CG-CG 4.32Å; L1797-L1853 HydrophobicContact CD1-CD1 4.27Å; L1797-L1853 HydrophobicContact CD2-CD1 3.71Å; L1797-I1868 HydrophobicContact CD1-CD1 3.83Å; L1797-I1868 HydrophobicContact CD1-CG2 4.21Å |
| 1798 | L | 59.2 | Low | 52.1 | Low | 45 Ų | 45 | 47.7 Ų | 47.7 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 118 | 168.9 | -68.8 | 169.5 | 0 | 0 | 0 | 108.7 | I1786 K1787 P1823 R1824 E1825 | I1786-L1798 CarbonylContact C-O 3.55Å; I1786-L1798 WeakPolarHBondContact CA-O 3.42Å; K1787-L1798 HydrophobicContact CB-CB 4.34Å; K1787-L1798 PolarHBondContact N-O 3.32Å; K1787-L1798 PolarHBondContact O-N 2.89Å; L1798-P1823 HydrophobicContact CB-CB 4.28Å; L1798-R1824 CarbonylContact C-O 3.47Å; L1798-R1824 WeakPolarHBondContact CA-O 3.18Å; L1798-E1825 HydrophobicContact CD2-CB 3.9Å; L1798-E1825 HydrophobicContact CD2-CG 4.06Å |
| 1799 | V | 62.2 | Low | 51.5 | Low | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.4 | -179 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | T1784 L1785 I1786 L1797 V1801 W1819 P1823 R1824 I1826 | T1784-V1799 HydrophobicContact CG2-CG1 3.71Å; L1785-V1799 CarbonylContact O-C 3.56Å; L1785-V1799 VanDerWaalsContact O-CA 3.3Å; L1785-V1799 WeakPolarHBondContact O-CA 3.29Å; I1786-V1799 HydrophobicContact CD1-CG2 4.3Å; I1786-V1799 HydrophobicContact CG1-CG1 4.17Å; I1786-V1799 HydrophobicContact CG1-CG2 4.09Å; I1786-V1799 HydrophobicContact CG2-CG2 4.3Å; L1797-V1799 HydrophobicContact CB-CG2 4.41Å; V1799-V1801 HydrophobicContact CG1-CG2 4.36Å; V1799-W1819 HydrophobicContact CB-CH2 4.26Å; V1799-W1819 HydrophobicContact CB-CZ3 3.94Å; V1799-W1819 HydrophobicContact CG1-CH2 3.72Å; V1799-W1819 HydrophobicContact CG1-CZ3 3.69Å; V1799-W1819 WeakPolarHBondContact O-CZ3 3.4Å; V1799-P1823 CarbonylContact O-C 3.47Å; V1799-P1823 WeakPolarHBondContact O-CA 3.41Å; V1799-R1824 PolarHBondContact N-O 3.07Å; V1799-R1824 PolarHBondContact O-N 2.92Å; V1799-I1826 HydrophobicContact CG2-CD1 3.61Å; V1799-I1826 HydrophobicContact CG2-CG1 4.19Å |
| 1800 | K | 59.4 | Low | 50.8 | Low | 34 Ų | 34 | 58.2 Ų | 58.2 | 15% | 0.148 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 121.6 | 170.5 | -176.8 | 172.2 | 176 | 176.9 | 0 | 109.7 | L1785 S1817 E1821 P1823 | L1785-K1800 WeakPolarHBondContact CB-O 3.37Å; L1785-K1800 PolarHBondContact N-O 3.01Å; L1785-K1800 PolarHBondContact O-N 3.35Å; K1800-S1817 WeakPolarHBondContact CE-OG 3.31Å; K1800-S1817 WeakPolarHBondContact CG-OG 3.23Å; K1800-E1821 VanDerWaalsContact CE-O 3.28Å; K1800-E1821 WeakPolarHBondContact CE-O 3.42Å; K1800-E1821 PolarHBondContact NZ-O 2.95Å; K1800-P1823 HydrophobicContact CB-CB 4.12Å |
| 1801 | V | 61.7 | Low | 49.8 | Very low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133 | 178.2 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | M1782 L1783 T1784 V1799 I1803 S1817 L1818 W1819 L1899 | M1782-V1801 HydrophobicContact CG-CG1 3.43Å; M1782-V1801 VanDerWaalsContact CG-CG1 3.43Å; M1782-V1801 HydrophobicContact SD-CG1 3.61Å; L1783-V1801 CarbonylContact O-C 3.51Å; L1783-V1801 WeakPolarHBondContact O-CA 3.35Å; T1784-V1801 HydrophobicContact CG2-CG2 4Å; V1799-V1801 HydrophobicContact CG1-CG2 4.36Å; V1801-I1803 HydrophobicContact CG1-CD1 4.22Å; V1801-I1803 HydrophobicContact CG1-CG1 3.99Å; V1801-S1817 CarbonylContact O-C 3.52Å; V1801-S1817 WeakPolarHBondContact O-CA 3.44Å; V1801-S1817 PolarHBondContact O-OG 3.48Å; V1801-L1818 HydrophobicContact CB-CB 3.92Å; V1801-L1818 HydrophobicContact CB-CD2 4.13Å; V1801-L1818 HydrophobicContact CG1-CB 3.89Å; V1801-L1818 HydrophobicContact CG1-CD2 3.87Å; V1801-L1818 PolarHBondContact O-N 3.09Å; V1801-W1819 HydrophobicContact CB-CH2 4.39Å; V1801-W1819 HydrophobicContact CB-CZ2 4.49Å; V1801-W1819 HydrophobicContact CB-CZ3 4.48Å; V1801-W1819 HydrophobicContact CG2-CH2 3.47Å; V1801-W1819 VanDerWaalsContact CG2-CH2 3.47Å; V1801-W1819 HydrophobicContact CG2-CZ2 3.79Å; V1801-W1819 HydrophobicContact CG2-CZ3 3.88Å; V1801-L1899 HydrophobicContact CG2-CD1 4.34Å; V1801-L1899 HydrophobicContact CG2-CD2 4.25Å |
| 1802 | L | 52.6 | Low | 48.7 | Very low | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134 | 177.7 | -68 | 167 | 0 | 0 | 0 | 109 | M1782 L1783 L1785 | M1782-L1802 CarbonylContact C-O 3.58Å; M1782-L1802 WeakPolarHBondContact CA-O 3.07Å; L1783-L1802 HydrophobicContact CB-CB 4.34Å; L1783-L1802 HydrophobicContact CD2-CD1 4.21Å; L1783-L1802 PolarHBondContact N-O 3.08Å; L1783-L1802 PolarHBondContact O-N 2.92Å; L1785-L1802 HydrophobicContact CD1-CD1 3.89Å |
| 1803 | I | 55.5 | Low | 48.3 | Very low | 20 Ų | 20 | 64.1 Ų | 64.1 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.4 | -174.8 | -53.9 | -170.9 | 0 | 0 | 0 | 110.1 | M1782 V1801 S1805 F1815 K1816 L1818 Y1901 | M1782-I1803 HydrophobicContact CB-CG1 4.18Å; M1782-I1803 HydrophobicContact CG-CD1 4.18Å; M1782-I1803 HydrophobicContact CG-CG1 3.96Å; M1782-I1803 HydrophobicContact SD-CD1 4.03Å; M1782-I1803 HydrophobicContact SD-CG1 4.46Å; V1801-I1803 HydrophobicContact CG1-CD1 4.22Å; V1801-I1803 HydrophobicContact CG1-CG1 3.99Å; I1803-S1805 PolarHBondContact O-N 3.26Å; I1803-F1815 WeakPolarHBondContact O-CA 3.28Å; I1803-K1816 PolarHBondContact N-O 3.45Å; I1803-K1816 PolarHBondContact O-N 3.35Å; I1803-L1818 HydrophobicContact CD1-CB 4.04Å; I1803-L1818 HydrophobicContact CD1-CD1 3.92Å; I1803-L1818 HydrophobicContact CD1-CD2 4.2Å; I1803-L1818 HydrophobicContact CD1-CG 4.26Å; I1803-L1818 HydrophobicContact CG1-CB 4.39Å; I1803-Y1901 HydrophobicContact CD1-CD1 3.39Å; I1803-Y1901 HydrophobicContact CD1-CE1 3.77Å; I1803-Y1901 HydrophobicContact CD1-CG 4.33Å; I1803-Y1901 HydrophobicContact CG2-CE1 4.48Å |
| 1804 | S | 46.6 | Very low | 47.9 | Very low | 26 Ų | 26 | 61.1 Ų | 61.1 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 117.8 | 172.4 | 168.6 | 0 | 0 | 0 | 0 | 112 | N1681 G1781 | N1681-S1804 WeakPolarHBondContact ND2-CB 3.33Å; N1681-S1804 PolarHBondContact ND2-OG 3.12Å; G1781-S1804 PolarHBondContact O-N 3.01Å |
| 1805 | S | 46.7 | Very low | 47.8 | Very low | 30 Ų | 30 | 58.9 Ų | 58.9 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.6 | 173.5 | 143.1 | 0 | 0 | 0 | 0 | 110.2 | I1803 D1807 E1814 K1816 | I1803-S1805 PolarHBondContact O-N 3.26Å; S1805-D1807 PolarHBondContact O-N 3.44Å; S1805-E1814 WeakPolarHBondContact CA-O 3.48Å; S1805-E1814 WeakPolarHBondContact CB-O 3.26Å; S1805-E1814 PolarHBondContact N-O 3.36Å; S1805-E1814 PolarHBondContact O-N 2.97Å; S1805-E1814 VanDerWaalsContact O-N 3.11Å; S1805-K1816 WeakPolarHBondContact OG-CE 3.25Å; S1805-K1816 PolarHBondContact OG-NZ 3.43Å |
| 1806 | V | 39 | Very low | 47.3 | Very low | 70 Ų | 70 | 63.1 Ų | 63.1 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 113.3 | 174 | -176 | 0 | 0 | 0 | 0 | 110.5 | V1680 I1808 Y1813 | V1680-V1806 HydrophobicContact CG1-CG2 4.26Å; V1806-I1808 HydrophobicContact CG1-CG1 4.19Å; V1806-I1808 PolarHBondContact O-N 3.26Å; V1806-Y1813 HydrophobicContact CB-CD1 4.3Å; V1806-Y1813 HydrophobicContact CB-CE1 4.26Å; V1806-Y1813 HydrophobicContact CG1-CD1 4.22Å; V1806-Y1813 HydrophobicContact CG1-CE1 3.8Å; V1806-Y1813 HydrophobicContact CG2-CD1 3.91Å; V1806-Y1813 HydrophobicContact CG2-CE1 3.84Å |
| 1807 | D | 38.9 | Very low | 47.3 | Very low | 59 Ų | 59 | 64.3 Ų | 64.3 | 32% | 0.316 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 97.1 | 163.5 | -176.8 | 14.3 | 0 | 0 | 0 | 110.3 | S1805 H1809 H1810 N1811 M1812 | S1805-D1807 PolarHBondContact O-N 3.44Å; D1807-H1809 PolarHBondContact O-N 3.21Å; D1807-H1809 PolarHBondContact OD1-N 3.45Å; D1807-H1810 PolarHBondContact O-N 3.24Å; D1807-H1810 VanDerWaalsContact O-N 3.1Å; D1807-H1810 IonicContact OD2-CE1 2.78Å; D1807-H1810 IonicContact OD2-CG 3.05Å; D1807-H1810 IonicContact OD2-ND1 3.84Å; D1807-H1810 PolarHBondContact OD2-ND1 3.4Å; D1807-N1811 PolarHBondContact O-N 3.23Å; D1807-N1811 VanDerWaalsContact O-N 3.13Å; D1807-M1812 PolarHBondContact N-O 3.07Å; D1807-M1812 VanDerWaalsContact N-O 3.15Å |
| 1808 | I | 37.4 | Very low | 47.3 | Very low | 139 Ų | 139 | 65 Ų | 65 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24.3 | -177 | -56.4 | 174.3 | 0 | 0 | 0 | 112.1 | V1806 | V1806-I1808 HydrophobicContact CG1-CG1 4.19Å; V1806-I1808 PolarHBondContact O-N 3.26Å |
| 1809 | H | 38.8 | Very low | 47.4 | Very low | 166 Ų | 166 | 63.9 Ų | 63.9 | 77% | 0.769 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -18.8 | -179.3 | -78.3 | -62.8 | 0 | 0 | 0 | 114.8 | D1807 | D1807-H1809 PolarHBondContact O-N 3.21Å; D1807-H1809 PolarHBondContact OD1-N 3.45Å |
| 1810 | H | 35.4 | Very low | 47.3 | Very low | 133 Ų | 133 | 65.6 Ų | 65.6 | 62% | 0.616 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | -5.6 | -173.3 | -62.5 | 103.4 | 0 | 0 | 0 | 114.8 | D1807 M1812 | D1807-H1810 PolarHBondContact O-N 3.24Å; D1807-H1810 VanDerWaalsContact O-N 3.1Å; D1807-H1810 IonicContact OD2-CE1 2.78Å; D1807-H1810 IonicContact OD2-CG 3.05Å; D1807-H1810 IonicContact OD2-ND1 3.84Å; D1807-H1810 PolarHBondContact OD2-ND1 3.4Å; H1810-M1812 HydrophobicContact CB-CB 4.35Å; H1810-M1812 HydrophobicContact CB-CG 4.11Å; H1810-M1812 PolarHBondContact O-N 2.96Å |
| 1811 | N | 29.8 | Very low | 47.2 | Very low | 120 Ų | 120 | 72 Ų | 72 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 31.4 | -168.5 | -76.2 | -1.8 | 0 | 0 | 0 | 112.8 | D1807 | D1807-N1811 PolarHBondContact O-N 3.23Å; D1807-N1811 VanDerWaalsContact O-N 3.13Å |
| 1812 | M | 27.9 | Very low | 46.8 | Very low | 131 Ų | 131 | 77.2 Ų | 77.2 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.6 | 171.1 | -71 | -66 | -177.6 | 0 | 0 | 108.8 | D1807 H1810 | D1807-M1812 PolarHBondContact N-O 3.07Å; D1807-M1812 VanDerWaalsContact N-O 3.15Å; H1810-M1812 HydrophobicContact CB-CB 4.35Å; H1810-M1812 HydrophobicContact CB-CG 4.11Å; H1810-M1812 PolarHBondContact O-N 2.96Å |
| 1813 | Y | 38.4 | Very low | 47.2 | Very low | 78 Ų | 78 | 77.2 Ų | 77.2 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.4 | 177.3 | -56.4 | -66.7 | 0 | 0 | 0 | 108.6 | V1680 N1681 V1806 | V1680-Y1813 HydrophobicContact CG1-CD1 3.99Å; V1680-Y1813 HydrophobicContact CG1-CE1 3.27Å; V1680-Y1813 HydrophobicContact CG1-CE2 4.48Å; V1680-Y1813 VanDerWaalsContact O-CE2 3.3Å; V1680-Y1813 WeakPolarHBondContact O-CE2 3.39Å; V1680-Y1813 PolarHBondContact O-OH 3.12Å; N1681-Y1813 WeakPolarHBondContact OD1-CD1 3.47Å; N1681-Y1813 VanDerWaalsContact OD1-CG 3.29Å; V1806-Y1813 HydrophobicContact CB-CD1 4.3Å; V1806-Y1813 HydrophobicContact CB-CE1 4.26Å; V1806-Y1813 HydrophobicContact CG1-CD1 4.22Å; V1806-Y1813 HydrophobicContact CG1-CE1 3.8Å; V1806-Y1813 HydrophobicContact CG2-CD1 3.91Å; V1806-Y1813 HydrophobicContact CG2-CE1 3.84Å |
| 1814 | E | 40.7 | Very low | 47.9 | Very low | 111 Ų | 111 | 78.9 Ų | 78.9 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.6 | 177 | -73.3 | -172 | 144.2 | 0 | 0 | 110.4 | S1805 K1816 | S1805-E1814 WeakPolarHBondContact CA-O 3.48Å; S1805-E1814 WeakPolarHBondContact CB-O 3.26Å; S1805-E1814 PolarHBondContact N-O 3.36Å; S1805-E1814 PolarHBondContact O-N 2.97Å; S1805-E1814 VanDerWaalsContact O-N 3.11Å; E1814-K1816 PolarHBondContact O-N 3.45Å; E1814-K1816 WeakPolarHBondContact OE2-CE 3.39Å; E1814-K1816 IonicContact OE2-NZ 2.6Å; E1814-K1816 PolarHBondContact OE2-NZ 3.13Å |
| 1815 | F | 47.9 | Very low | 49.1 | Very low | 26 Ų | 26 | 83.3 Ų | 83.3 | 11% | 0.114 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113.2 | 168.8 | -73.9 | -88.3 | 0 | 0 | 0 | 110.3 | T1687 F1688 I1803 | T1687-F1815 VanDerWaalsContact O-CD2 3.25Å; T1687-F1815 WeakPolarHBondContact O-CD2 3.27Å; T1687-F1815 VanDerWaalsContact O-CE2 3.28Å; T1687-F1815 WeakPolarHBondContact O-CE2 3.3Å; F1688-F1815 HydrophobicContact CB-CE2 4.44Å; F1688-F1815 HydrophobicContact CD1-CE1 4.06Å; F1688-F1815 AromaticContact CD1-CE2 3.93Å; F1688-F1815 HydrophobicContact CD1-CE2 3.93Å; F1688-F1815 AromaticContact CD1-CZ 3.43Å; F1688-F1815 HydrophobicContact CD1-CZ 3.43Å; F1688-F1815 VanDerWaalsContact CD1-CZ 3.43Å; F1688-F1815 HydrophobicContact CE1-CE1 4.12Å; F1688-F1815 HydrophobicContact CE1-CE2 4.32Å; F1688-F1815 AromaticContact CE1-CZ 3.49Å; F1688-F1815 HydrophobicContact CE1-CZ 3.49Å; F1688-F1815 VanDerWaalsContact CE1-CZ 3.49Å; F1688-F1815 HydrophobicContact CG-CE2 4.06Å; F1688-F1815 HydrophobicContact CG-CZ 4.02Å; F1688-F1815 HydrophobicContact CZ-CZ 4.11Å; I1803-F1815 WeakPolarHBondContact O-CA 3.28Å |
| 1816 | K | 51.9 | Low | 50.2 | Low | 103 Ų | 103 | 82.3 Ų | 82.3 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.4 | 176.5 | -69.4 | 177 | -176.2 | 149.7 | 0 | 109.5 | I1803 S1805 E1814 | I1803-K1816 PolarHBondContact N-O 3.45Å; I1803-K1816 PolarHBondContact O-N 3.35Å; S1805-K1816 WeakPolarHBondContact OG-CE 3.25Å; S1805-K1816 PolarHBondContact OG-NZ 3.43Å; E1814-K1816 PolarHBondContact O-N 3.45Å; E1814-K1816 WeakPolarHBondContact OE2-CE 3.39Å; E1814-K1816 IonicContact OE2-NZ 2.6Å; E1814-K1816 PolarHBondContact OE2-NZ 3.13Å |
| 1817 | S | 60.4 | Low | 52 | Low | 27 Ų | 27 | 83.4 Ų | 83.4 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.5 | 179 | -147.5 | 0 | 0 | 0 | 0 | 110.5 | K1800 V1801 W1819 G1820 | K1800-S1817 WeakPolarHBondContact CE-OG 3.31Å; K1800-S1817 WeakPolarHBondContact CG-OG 3.23Å; V1801-S1817 CarbonylContact O-C 3.52Å; V1801-S1817 WeakPolarHBondContact O-CA 3.44Å; V1801-S1817 PolarHBondContact O-OG 3.48Å; S1817-W1819 PolarHBondContact O-N 3.31Å; S1817-W1819 VanDerWaalsContact O-N 3.15Å; S1817-G1820 VanDerWaalsContact CB-O 3.24Å; S1817-G1820 WeakPolarHBondContact CB-O 3.39Å; S1817-G1820 PolarHBondContact O-N 2.89Å; S1817-G1820 PolarHBondContact OG-O 3.05Å |
| 1818 | L | 63.3 | Low | 53.6 | Low | 15 Ų | 15 | 80.8 Ų | 80.8 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.3 | -171.3 | 176.5 | 60.2 | 0 | 0 | 0 | 113.3 | V1801 I1803 Y1901 M1908 | V1801-L1818 HydrophobicContact CB-CB 3.92Å; V1801-L1818 HydrophobicContact CB-CD2 4.13Å; V1801-L1818 HydrophobicContact CG1-CB 3.89Å; V1801-L1818 HydrophobicContact CG1-CD2 3.87Å; V1801-L1818 PolarHBondContact O-N 3.09Å; I1803-L1818 HydrophobicContact CD1-CB 4.04Å; I1803-L1818 HydrophobicContact CD1-CD1 3.92Å; I1803-L1818 HydrophobicContact CD1-CD2 4.2Å; I1803-L1818 HydrophobicContact CD1-CG 4.26Å; I1803-L1818 HydrophobicContact CG1-CB 4.39Å; L1818-Y1901 HydrophobicContact CD1-CD1 4.09Å; L1818-Y1901 HydrophobicContact CD1-CD2 4.16Å; L1818-Y1901 HydrophobicContact CD1-CG 3.71Å; L1818-M1908 HydrophobicContact CD1-CE 3.91Å; L1818-M1908 HydrophobicContact CD1-SD 3.96Å |
| 1819 | W | 62.1 | Low | 55.3 | Low | 21 Ų | 21 | 76.4 Ų | 76.4 | 8% | 0.08 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 15.9 | -175 | -49.9 | -47.2 | 0 | 0 | 0 | 113.8 | V1799 V1801 S1817 R1824 L1899 P1916 | V1799-W1819 HydrophobicContact CB-CH2 4.26Å; V1799-W1819 HydrophobicContact CB-CZ3 3.94Å; V1799-W1819 HydrophobicContact CG1-CH2 3.72Å; V1799-W1819 HydrophobicContact CG1-CZ3 3.69Å; V1799-W1819 WeakPolarHBondContact O-CZ3 3.4Å; V1801-W1819 HydrophobicContact CB-CH2 4.39Å; V1801-W1819 HydrophobicContact CB-CZ2 4.49Å; V1801-W1819 HydrophobicContact CB-CZ3 4.48Å; V1801-W1819 HydrophobicContact CG2-CH2 3.47Å; V1801-W1819 VanDerWaalsContact CG2-CH2 3.47Å; V1801-W1819 HydrophobicContact CG2-CZ2 3.79Å; V1801-W1819 HydrophobicContact CG2-CZ3 3.88Å; S1817-W1819 PolarHBondContact O-N 3.31Å; S1817-W1819 VanDerWaalsContact O-N 3.15Å; W1819-R1824 HydrophobicContact CB-CG 4.29Å; W1819-R1824 HydrophobicContact CE3-CB 4.07Å; W1819-R1824 HydrophobicContact CE3-CG 4.13Å; W1819-R1824 HydrophobicContact CZ3-CB 4.38Å; W1819-L1899 HydrophobicContact CH2-CD2 3.83Å; W1819-L1899 HydrophobicContact CZ2-CB 4.2Å; W1819-L1899 HydrophobicContact CZ2-CD2 3.94Å; W1819-L1899 PolarHBondContact NE1-O 2.81Å; W1819-P1916 HydrophobicContact CH2-CB 3.7Å; W1819-P1916 HydrophobicContact CH2-CG 3.63Å; W1819-P1916 HydrophobicContact CZ2-CB 3.83Å; W1819-P1916 HydrophobicContact CZ2-CG 4.1Å; W1819-P1916 HydrophobicContact CZ3-CG 4.03Å |
| 1820 | G | 58.2 | Low | 56.8 | Low | 38 Ų | 38 | 74.1 Ų | 74.1 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | trans | 87.3 | 180 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1817 Q1822 | S1817-G1820 VanDerWaalsContact CB-O 3.24Å; S1817-G1820 WeakPolarHBondContact CB-O 3.39Å; S1817-G1820 PolarHBondContact O-N 2.89Å; S1817-G1820 PolarHBondContact OG-O 3.05Å; G1820-Q1822 PolarHBondContact O-N 3.26Å | ||
| 1821 | E | 58.9 | Low | 58.5 | Low | 169 Ų | 169 | 67.9 Ų | 67.9 | 79% | 0.79 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -71.6 | -23 | -164.9 | -64.2 | -172.5 | 156.3 | 0 | 0 | 115.4 | K1800 | K1800-E1821 VanDerWaalsContact CE-O 3.28Å; K1800-E1821 WeakPolarHBondContact CE-O 3.42Å; K1800-E1821 PolarHBondContact NZ-O 2.95Å |
| 1822 | Q | 52.7 | Low | 60.4 | Low | 108 Ų | 108 | 65 Ų | 65 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -90.2 | 141 | -178.8 | -63.7 | -165.7 | -1.6 | 0 | 0 | 111.9 | I1704 G1820 | I1704-Q1822 HydrophobicContact CD1-CG 4.23Å; G1820-Q1822 PolarHBondContact O-N 3.26Å |
| 1823 | P | 60.7 | Low | 62.4 | Low | 32 Ų | 32 | 64.4 Ų | 64.4 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 142.8 | 173.2 | 29.3 | -34.4 | 0 | 0 | 0 | 110.9 | L1798 V1799 K1800 | L1798-P1823 HydrophobicContact CB-CB 4.28Å; V1799-P1823 CarbonylContact O-C 3.47Å; V1799-P1823 WeakPolarHBondContact O-CA 3.41Å; K1800-P1823 HydrophobicContact CB-CB 4.12Å |
| 1824 | R | 69.9 | Low | 63.8 | Low | 55 Ų | 55 | 63.7 Ų | 63.7 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 152.8 | 174.9 | -68.5 | -168.6 | 171.1 | -178.8 | 0.7 | 111.2 | L1798 V1799 W1819 I1912 D1913 Y1915 | L1798-R1824 CarbonylContact C-O 3.47Å; L1798-R1824 WeakPolarHBondContact CA-O 3.18Å; V1799-R1824 PolarHBondContact N-O 3.07Å; V1799-R1824 PolarHBondContact O-N 2.92Å; W1819-R1824 HydrophobicContact CB-CG 4.29Å; W1819-R1824 HydrophobicContact CE3-CB 4.07Å; W1819-R1824 HydrophobicContact CE3-CG 4.13Å; W1819-R1824 HydrophobicContact CZ3-CB 4.38Å; R1824-I1912 PolarHBondContact NH1-O 2.98Å; R1824-D1913 IonicContact CZ-OD1 2.76Å; R1824-D1913 IonicContact NH1-OD1 3.57Å; R1824-D1913 IonicContact NH2-OD1 2.81Å; R1824-D1913 PolarHBondContact NH2-OD1 3.06Å; R1824-Y1915 WeakPolarHBondContact CD-O 3.44Å; R1824-Y1915 PolarHBondContact NH1-O 3.43Å |
| 1825 | E | 71.6 | Confident | 65.1 | Low | 119 Ų | 119 | 58.4 Ų | 58.4 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.3 | -167.9 | -169.6 | 173.2 | 175 | 0 | 0 | 112.7 | S1796 L1798 | S1796-E1825 WeakPolarHBondContact CB-OE1 3.44Å; S1796-E1825 PolarHBondContact OG-OE1 3.41Å; L1798-E1825 HydrophobicContact CD2-CB 3.9Å; L1798-E1825 HydrophobicContact CD2-CG 4.06Å |
| 1826 | I | 71.2 | Confident | 66 | Low | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.4 | 173.1 | -56.9 | 173.5 | 0 | 0 | 0 | 108.9 | S1796 L1797 V1799 V1897 P1916 V1918 | S1796-I1826 CarbonylContact C-O 3.57Å; S1796-I1826 WeakPolarHBondContact CA-O 3.48Å; S1796-I1826 VanDerWaalsContact CB-O 3.25Å; S1796-I1826 WeakPolarHBondContact CB-O 2.93Å; L1797-I1826 HydrophobicContact CB-CB 4.31Å; L1797-I1826 PolarHBondContact N-O 3.29Å; L1797-I1826 PolarHBondContact O-N 3.11Å; V1799-I1826 HydrophobicContact CG2-CD1 3.61Å; V1799-I1826 HydrophobicContact CG2-CG1 4.19Å; I1826-V1897 HydrophobicContact CD1-CG1 3.76Å; I1826-V1897 HydrophobicContact CD1-CG2 4.47Å; I1826-P1916 HydrophobicContact CD1-CB 4.11Å; I1826-P1916 HydrophobicContact CD1-CG 3.85Å; I1826-P1916 HydrophobicContact CG1-CB 4.32Å; I1826-P1916 HydrophobicContact CG1-CG 3.64Å; I1826-V1918 HydrophobicContact CG2-CG2 3.73Å |
| 1827 | N | 76.2 | Confident | 66.6 | Low | 93 Ų | 93 | 60 Ų | 60 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.5 | -179.9 | -171.4 | -45 | 0 | 0 | 0 | 111.8 | I1829 | N1827-I1829 VanDerWaalsContact OD1-CB 3.23Å; N1827-I1829 WeakPolarHBondContact OD1-CB 3.13Å; N1827-I1829 WeakPolarHBondContact OD1-CD1 3.06Å; N1827-I1829 WeakPolarHBondContact OD1-CG1 3.2Å; N1827-I1829 PolarHBondContact OD1-N 2.82Å |
| 1828 | L | 72.1 | Confident | 66.7 | Low | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -99.7 | 2.4 | -177.1 | -63.8 | -175.3 | 0 | 0 | 0 | 114.8 | F1790 P1795 L1797 Q1830 A1831 Y1832 L1870 L1895 | F1790-L1828 HydrophobicContact CE1-CD1 4.25Å; P1795-L1828 HydrophobicContact CB-CB 4.35Å; P1795-L1828 HydrophobicContact CG-CB 4.41Å; P1795-L1828 WeakPolarHBondContact O-CB 3.41Å; P1795-L1828 PolarHBondContact O-N 3.13Å; L1797-L1828 HydrophobicContact CD1-CD1 4.09Å; L1797-L1828 HydrophobicContact CD1-CD2 3.9Å; L1797-L1828 HydrophobicContact CD1-CG 4.33Å; L1797-L1828 HydrophobicContact CG-CD1 3.94Å; L1797-L1828 HydrophobicContact CG-CD2 4.42Å; L1797-L1828 HydrophobicContact CG-CG 4.32Å; L1828-Q1830 VanDerWaalsContact C-N 3.3Å; L1828-Q1830 PolarHBondContact O-N 2.9Å; L1828-A1831 PolarHBondContact O-N 3.31Å; L1828-Y1832 PolarHBondContact O-N 2.68Å; L1828-Y1832 VanDerWaalsContact O-N 3.11Å; L1828-L1870 HydrophobicContact CD1-CD1 3.91Å; L1828-L1870 HydrophobicContact CD2-CD1 3.96Å; L1828-L1870 HydrophobicContact CG-CD1 4.43Å; L1828-L1895 HydrophobicContact CD2-CD1 3.54Å | ||
| 1829 | I | 74.1 | Confident | 66.8 | Low | 48 Ų | 48 | 58.2 Ų | 58.2 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.1 | -43.3 | -173.4 | -69.6 | 168.2 | 0 | 0 | 0 | 111.9 | T1794 P1795 N1827 Y1832 Q1833 | T1794-I1829 HydrophobicContact CG2-CD1 4.2Å; P1795-I1829 HydrophobicContact CG-CG1 4.32Å; N1827-I1829 VanDerWaalsContact OD1-CB 3.23Å; N1827-I1829 WeakPolarHBondContact OD1-CB 3.13Å; N1827-I1829 WeakPolarHBondContact OD1-CD1 3.06Å; N1827-I1829 WeakPolarHBondContact OD1-CG1 3.2Å; N1827-I1829 PolarHBondContact OD1-N 2.82Å; I1829-Y1832 PolarHBondContact O-N 2.92Å; I1829-Q1833 HydrophobicContact CG2-CG 4.25Å; I1829-Q1833 VanDerWaalsContact CG2-NE2 3.31Å; I1829-Q1833 WeakPolarHBondContact O-CB 3.36Å; I1829-Q1833 VanDerWaalsContact O-CG 3.29Å; I1829-Q1833 WeakPolarHBondContact O-CG 3.49Å; I1829-Q1833 PolarHBondContact O-N 2.82Å |
| 1830 | Q | 69.4 | Low | 66.8 | Low | 118 Ų | 118 | 63.9 Ų | 63.9 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.5 | -46.5 | -179.6 | -67.2 | -172.9 | 2.5 | 0 | 0 | 112.4 | L1828 Y1832 Q1833 L1834 | L1828-Q1830 VanDerWaalsContact C-N 3.3Å; L1828-Q1830 PolarHBondContact O-N 2.9Å; Q1830-Y1832 VanDerWaalsContact C-N 3.33Å; Q1830-Y1832 PolarHBondContact O-N 3Å; Q1830-Q1833 PolarHBondContact O-N 2.86Å; Q1830-L1834 WeakPolarHBondContact O-CB 3.4Å; Q1830-L1834 PolarHBondContact O-N 3.18Å |
| 1831 | A | 70.1 | Confident | 66.6 | Low | 2 Ų | 2 | 66.1 Ų | 66.1 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1828 L1834 T1835 L1870 V1893 L1895 T1921 | L1828-A1831 PolarHBondContact O-N 3.31Å; A1831-L1834 PolarHBondContact O-N 3.23Å; A1831-T1835 PolarHBondContact O-N 2.94Å; A1831-T1835 PolarHBondContact O-OG1 3.16Å; A1831-L1870 HydrophobicContact CB-CD1 4.28Å; A1831-V1893 HydrophobicContact CB-CB 4.35Å; A1831-V1893 HydrophobicContact CB-CG1 3.87Å; A1831-V1893 WeakPolarHBondContact O-CG2 3.46Å; A1831-L1895 HydrophobicContact CB-CD1 4.13Å; A1831-L1895 HydrophobicContact CB-CD2 4.31Å; A1831-L1895 HydrophobicContact CB-CG 4.4Å; A1831-T1921 HydrophobicContact CB-CG2 3.96Å |
| 1832 | Y | 70.2 | Confident | 66.4 | Low | 58 Ų | 58 | 60.5 Ų | 60.5 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.9 | -35.1 | 179 | -155.8 | -71.8 | 0 | 0 | 0 | 112.2 | L1828 I1829 Q1830 T1835 K1836 T1850 I1851 | L1828-Y1832 PolarHBondContact O-N 2.68Å; L1828-Y1832 VanDerWaalsContact O-N 3.11Å; I1829-Y1832 PolarHBondContact O-N 2.92Å; Q1830-Y1832 VanDerWaalsContact C-N 3.33Å; Q1830-Y1832 PolarHBondContact O-N 3Å; Y1832-T1835 PolarHBondContact O-OG1 3.14Å; Y1832-K1836 WeakPolarHBondContact O-CB 3.35Å; Y1832-K1836 PolarHBondContact O-N 3.11Å; Y1832-T1850 WeakPolarHBondContact OH-CA 3.48Å; Y1832-I1851 HydrophobicContact CD1-CD1 4.38Å; Y1832-I1851 HydrophobicContact CD2-CD1 3.68Å; Y1832-I1851 HydrophobicContact CD2-CG1 4.19Å; Y1832-I1851 HydrophobicContact CE2-CB 4.4Å; Y1832-I1851 HydrophobicContact CE2-CD1 4.08Å; Y1832-I1851 HydrophobicContact CE2-CG1 4.09Å; Y1832-I1851 HydrophobicContact CG-CD1 3.86Å |
| 1833 | Q | 69.8 | Low | 66.3 | Low | 120 Ų | 120 | 58.6 Ų | 58.6 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.5 | -42.6 | 172.7 | -75 | 178.4 | 4.8 | 0 | 0 | 111.9 | I1829 Q1830 K1836 T1837 | I1829-Q1833 HydrophobicContact CG2-CG 4.25Å; I1829-Q1833 VanDerWaalsContact CG2-NE2 3.31Å; I1829-Q1833 WeakPolarHBondContact O-CB 3.36Å; I1829-Q1833 VanDerWaalsContact O-CG 3.29Å; I1829-Q1833 WeakPolarHBondContact O-CG 3.49Å; I1829-Q1833 PolarHBondContact O-N 2.82Å; Q1830-Q1833 PolarHBondContact O-N 2.86Å; Q1833-K1836 PolarHBondContact O-N 3.09Å; Q1833-T1837 PolarHBondContact O-N 2.97Å; Q1833-T1837 PolarHBondContact O-OG1 3.47Å |
| 1834 | L | 68.7 | Low | 65.6 | Low | 62 Ų | 62 | 64.8 Ų | 64.8 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | -179 | -116.2 | 168 | 0 | 0 | 0 | 113.3 | Q1830 A1831 T1837 A1838 T1921 | Q1830-L1834 WeakPolarHBondContact O-CB 3.4Å; Q1830-L1834 PolarHBondContact O-N 3.18Å; A1831-L1834 PolarHBondContact O-N 3.23Å; L1834-T1837 PolarHBondContact O-OG1 2.84Å; L1834-A1838 WeakPolarHBondContact O-CB 3.23Å; L1834-A1838 PolarHBondContact O-N 3.43Å; L1834-A1838 VanDerWaalsContact O-N 3.1Å; L1834-T1921 HydrophobicContact CD1-CG2 3.83Å |
| 1835 | T | 67.9 | Low | 64.4 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 173.6 | 15.4 | 0 | 0 | 0 | 0 | 110.8 | A1831 Y1832 T1837 A1838 G1839 L1848 I1851 L1891 V1893 L1923 | A1831-T1835 PolarHBondContact O-N 2.94Å; A1831-T1835 PolarHBondContact O-OG1 3.16Å; Y1832-T1835 PolarHBondContact O-OG1 3.14Å; T1835-T1837 VanDerWaalsContact C-N 3.31Å; T1835-T1837 PolarHBondContact O-N 3.25Å; T1835-A1838 PolarHBondContact O-N 3.43Å; T1835-A1838 VanDerWaalsContact O-N 3.15Å; T1835-G1839 PolarHBondContact O-N 3.19Å; T1835-L1848 VanDerWaalsContact C-CD1 3.49Å; T1835-L1848 WeakPolarHBondContact O-CD1 3.43Å; T1835-I1851 HydrophobicContact CG2-CD1 4.29Å; T1835-I1851 WeakPolarHBondContact OG1-CD1 3.29Å; T1835-L1891 HydrophobicContact CG2-CB 4.3Å; T1835-V1893 HydrophobicContact CG2-CG2 3.63Å; T1835-L1923 HydrophobicContact CG2-CD1 3.92Å |
| 1836 | K | 66.6 | Low | 63.1 | Low | 92 Ų | 92 | 67.4 Ų | 67.4 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -30.4 | -178.3 | -167.8 | 172.1 | -172.4 | 171.5 | 0 | 113.2 | Y1832 Q1833 R1840 | Y1832-K1836 WeakPolarHBondContact O-CB 3.35Å; Y1832-K1836 PolarHBondContact O-N 3.11Å; Q1833-K1836 PolarHBondContact O-N 3.09Å; K1836-R1840 WeakPolarHBondContact O-CD 3.37Å; K1836-R1840 VanDerWaalsContact O-CG 3.29Å; K1836-R1840 WeakPolarHBondContact O-CG 3.25Å |
| 1837 | T | 64.9 | Low | 61.9 | Low | 72 Ų | 72 | 75.1 Ų | 75.1 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.8 | -48 | 167.6 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | Q1833 L1834 T1835 G1839 R1840 I1841 | Q1833-T1837 PolarHBondContact O-N 2.97Å; Q1833-T1837 PolarHBondContact O-OG1 3.47Å; L1834-T1837 PolarHBondContact O-OG1 2.84Å; T1835-T1837 VanDerWaalsContact C-N 3.31Å; T1835-T1837 PolarHBondContact O-N 3.25Å; T1837-G1839 PolarHBondContact O-N 3.33Å; T1837-R1840 PolarHBondContact O-N 2.81Å; T1837-I1841 WeakPolarHBondContact O-CB 3.48Å; T1837-I1841 WeakPolarHBondContact O-CD1 3.46Å; T1837-I1841 VanDerWaalsContact O-CG1 3.24Å; T1837-I1841 WeakPolarHBondContact O-CG1 3.44Å; T1837-I1841 PolarHBondContact O-N 2.81Å |
| 1838 | A | 62.9 | Low | 60.3 | Low | 3 Ų | 3 | 71.8 Ų | 71.8 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56 | -47.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1834 T1835 R1840 I1841 L1842 L1891 L1923 M1970 | L1834-A1838 WeakPolarHBondContact O-CB 3.23Å; L1834-A1838 PolarHBondContact O-N 3.43Å; L1834-A1838 VanDerWaalsContact O-N 3.1Å; T1835-A1838 PolarHBondContact O-N 3.43Å; T1835-A1838 VanDerWaalsContact O-N 3.15Å; A1838-R1840 VanDerWaalsContact C-N 3.32Å; A1838-R1840 PolarHBondContact O-N 3.37Å; A1838-I1841 PolarHBondContact O-N 3.06Å; A1838-I1841 VanDerWaalsContact O-N 3.16Å; A1838-L1842 PolarHBondContact O-N 3.47Å; A1838-L1891 HydrophobicContact CB-CD1 4.31Å; A1838-L1891 HydrophobicContact CB-CD2 4.45Å; A1838-L1923 HydrophobicContact CB-CD1 3.98Å; A1838-L1923 HydrophobicContact CB-CD2 3.46Å; A1838-L1923 VanDerWaalsContact CB-CD2 3.46Å; A1838-L1923 HydrophobicContact CB-CG 4.38Å; A1838-M1970 HydrophobicContact CB-CE 4.29Å; A1838-M1970 HydrophobicContact CB-SD 3.92Å |
| 1839 | G | 64.4 | Low | 59.3 | Low | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.5 | -33.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1835 T1837 I1843 | T1835-G1839 PolarHBondContact O-N 3.19Å; T1837-G1839 PolarHBondContact O-N 3.33Å; G1839-I1843 PolarHBondContact O-N 3.24Å; G1839-I1843 VanDerWaalsContact O-N 3.11Å |
| 1840 | R | 61.5 | Low | 58 | Low | 139 Ų | 139 | 78.6 Ų | 78.6 | 53% | 0.525 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 172.7 | -75 | 174.1 | 167.9 | -174.9 | -6.5 | 112.5 | K1836 T1837 A1838 I1843 | K1836-R1840 WeakPolarHBondContact O-CD 3.37Å; K1836-R1840 VanDerWaalsContact O-CG 3.29Å; K1836-R1840 WeakPolarHBondContact O-CG 3.25Å; T1837-R1840 PolarHBondContact O-N 2.81Å; A1838-R1840 VanDerWaalsContact C-N 3.32Å; A1838-R1840 PolarHBondContact O-N 3.37Å; R1840-I1843 CarbonylContact O-C 3.59Å; R1840-I1843 VanDerWaalsContact O-C 3.3Å |
| 1841 | I | 55.9 | Low | 57.3 | Low | 85 Ų | 85 | 73.6 Ų | 73.6 | 44% | 0.436 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.5 | -37.5 | -179.2 | -69.9 | 164.4 | 0 | 0 | 0 | 110.8 | T1837 A1838 F1966 M1970 | T1837-I1841 WeakPolarHBondContact O-CB 3.48Å; T1837-I1841 WeakPolarHBondContact O-CD1 3.46Å; T1837-I1841 VanDerWaalsContact O-CG1 3.24Å; T1837-I1841 WeakPolarHBondContact O-CG1 3.44Å; T1837-I1841 PolarHBondContact O-N 2.81Å; A1838-I1841 PolarHBondContact O-N 3.06Å; A1838-I1841 VanDerWaalsContact O-N 3.16Å; I1841-F1966 HydrophobicContact CG2-CE1 3.69Å; I1841-F1966 HydrophobicContact CG2-CE2 4.41Å; I1841-F1966 HydrophobicContact CG2-CZ 3.4Å; I1841-F1966 WeakPolarHBondContact O-CZ 3.33Å; I1841-M1970 HydrophobicContact CG2-CE 4.13Å |
| 1842 | L | 54.1 | Low | 56.6 | Low | 51 Ų | 51 | 75.2 Ų | 75.2 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 171.9 | -84.8 | 162.9 | 0 | 0 | 0 | 113.2 | A1838 L1891 F1966 M1970 | A1838-L1842 PolarHBondContact O-N 3.47Å; L1842-L1891 HydrophobicContact CD1-CD1 4.06Å; L1842-L1891 HydrophobicContact CD1-CD2 3.81Å; L1842-L1891 HydrophobicContact CD1-CG 4.24Å; L1842-F1966 HydrophobicContact CD2-CD1 3.63Å; L1842-F1966 HydrophobicContact CD2-CE1 3.72Å; L1842-F1966 HydrophobicContact CG-CD1 4.15Å; L1842-F1966 HydrophobicContact CG-CE1 3.88Å; L1842-M1970 HydrophobicContact CD1-CE 4.2Å; L1842-M1970 HydrophobicContact CG-CE 3.9Å |
| 1843 | I | 51 | Low | 55.8 | Low | 69 Ų | 69 | 75.1 Ų | 75.1 | 35% | 0.354 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -137.3 | 109 | -176.5 | -59.6 | -179.7 | 0 | 0 | 0 | 109.4 | G1839 R1840 K1845 R1846 V1880 | G1839-I1843 PolarHBondContact O-N 3.24Å; G1839-I1843 VanDerWaalsContact O-N 3.11Å; R1840-I1843 CarbonylContact O-C 3.59Å; R1840-I1843 VanDerWaalsContact O-C 3.3Å; I1843-K1845 PolarHBondContact O-N 2.67Å; I1843-R1846 HydrophobicContact CB-CB 3.9Å; I1843-R1846 HydrophobicContact CG2-CB 4.03Å; I1843-R1846 PolarHBondContact O-N 2.91Å; I1843-V1880 HydrophobicContact CD1-CG1 4Å |
| 1844 | N | 45.6 | Very low | 55.1 | Low | 162 Ų | 162 | 72 Ų | 72 | 87% | 0.866 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 0.3 | -176.6 | -87.4 | -33.3 | 0 | 0 | 0 | 117.2 | ||
| 1845 | K | 44.1 | Very low | 54.5 | Low | 199 Ų | 199 | 70.3 Ų | 70.3 | 87% | 0.865 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.1 | 11.3 | 176.3 | -66.7 | -169.5 | 178.1 | -179.6 | 0 | 114.6 | I1843 E1847 | I1843-K1845 PolarHBondContact O-N 2.67Å; K1845-E1847 PolarHBondContact O-N 2.7Å |
| 1846 | R | 44.5 | Very low | 54.1 | Low | 30 Ų | 30 | 70.8 Ų | 70.8 | 11% | 0.113 | 35% | 0.349 | C | S | . | . | trans | -79.1 | 115.5 | -179.4 | -167.8 | 178.4 | -165.6 | -158.4 | -1.1 | 110.9 | I1843 E1872 T1876 | I1843-R1846 HydrophobicContact CB-CB 3.9Å; I1843-R1846 HydrophobicContact CG2-CB 4.03Å; I1843-R1846 PolarHBondContact O-N 2.91Å; R1846-E1872 VanDerWaalsContact CZ-CD 3.49Å; R1846-E1872 IonicContact CZ-OE1 3.75Å; R1846-E1872 IonicContact CZ-OE2 2.6Å; R1846-E1872 IonicContact NE-OE1 3.49Å; R1846-E1872 IonicContact NH1-OE1 3.91Å; R1846-E1872 PolarHBondContact NH1-OE1 3.31Å; R1846-E1872 IonicContact NH1-OE2 3.55Å; R1846-E1872 PolarHBondContact NH1-OE2 3.49Å; R1846-E1872 VanDerWaalsContact NH2-CD 3.29Å; R1846-E1872 IonicContact NH2-OE1 3.98Å; R1846-E1872 PolarHBondContact NH2-OE1 2.9Å; R1846-E1872 IonicContact NH2-OE2 2.74Å; R1846-E1872 PolarHBondContact NH2-OE2 3.2Å; R1846-T1876 PolarHBondContact NH2-O 3.24Å; R1846-T1876 PolarHBondContact NH2-OG1 3.14Å | ||
| 1847 | E | 45.6 | Very low | 53.8 | Low | 169 Ų | 169 | 67 Ų | 67 | 79% | 0.79 | 33% | 0.334 | S | S | * | . | trans | -88.9 | 113.9 | 164 | -65.3 | -159.4 | 135.6 | 0 | 0 | 109.6 | K1845 | K1845-E1847 PolarHBondContact O-N 2.7Š| ||
| 1848 | L | 43.9 | Very low | 53.9 | Low | 23 Ų | 23 | 64.6 Ų | 64.6 | 12% | 0.12 | 32% | 0.317 | C | S | . | . | trans | -73.5 | 123.3 | 178.5 | -123.4 | 154.8 | 0 | 0 | 0 | 109.7 | T1835 I1851 E1872 | T1835-L1848 VanDerWaalsContact C-CD1 3.49Å; T1835-L1848 WeakPolarHBondContact O-CD1 3.43Å; L1848-I1851 HydrophobicContact CD2-CG1 4.35Å; L1848-E1872 HydrophobicContact CD2-CG 3.64Å; L1848-E1872 WeakPolarHBondContact CD2-OE1 3.34Å; L1848-E1872 WeakPolarHBondContact CG-OE1 3.04Å | ||
| 1849 | Q | 49.4 | Very low | 54.3 | Low | 120 Ų | 120 | 65.2 Ų | 65.2 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | trans | -82.3 | 179.5 | 172.3 | -63.1 | -169.6 | -4.6 | 0 | 0 | 111.2 | I1851 T1876 | Q1849-I1851 PolarHBondContact O-N 3.2Å; Q1849-I1851 VanDerWaalsContact O-N 3.13Å; Q1849-T1876 HydrophobicContact CB-CG2 3.85Å; Q1849-T1876 HydrophobicContact CG-CG2 4.29Å | ||
| 1850 | T | 48.3 | Very low | 54.2 | Low | 75 Ų | 75 | 67 Ų | 67 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | trans | -57 | 116.6 | -177.3 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | Y1832 | Y1832-T1850 WeakPolarHBondContact OH-CA 3.48Š| ||
| 1851 | I | 53.1 | Low | 54.2 | Low | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | trans | -61.5 | 141.8 | 170.6 | -49.6 | 170.1 | 0 | 0 | 0 | 109.1 | Y1832 T1835 L1848 Q1849 L1870 N1871 | Y1832-I1851 HydrophobicContact CD1-CD1 4.38Å; Y1832-I1851 HydrophobicContact CD2-CD1 3.68Å; Y1832-I1851 HydrophobicContact CD2-CG1 4.19Å; Y1832-I1851 HydrophobicContact CE2-CB 4.4Å; Y1832-I1851 HydrophobicContact CE2-CD1 4.08Å; Y1832-I1851 HydrophobicContact CE2-CG1 4.09Å; Y1832-I1851 HydrophobicContact CG-CD1 3.86Å; T1835-I1851 HydrophobicContact CG2-CD1 4.29Å; T1835-I1851 WeakPolarHBondContact OG1-CD1 3.29Å; L1848-I1851 HydrophobicContact CD2-CG1 4.35Å; Q1849-I1851 PolarHBondContact O-N 3.2Å; Q1849-I1851 VanDerWaalsContact O-N 3.13Å; I1851-L1870 HydrophobicContact CG2-CB 3.64Å; I1851-N1871 WeakPolarHBondContact CA-O 3.08Å; I1851-N1871 VanDerWaalsContact CG2-O 3.24Å; I1851-N1871 WeakPolarHBondContact CG2-O 3.36Å | ||
| 1852 | S | 55.3 | Low | 54.8 | Low | 37 Ų | 37 | 65.4 Ų | 65.4 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 150.4 | 177.3 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | N1854 L1870 N1871 | S1852-N1854 VanDerWaalsContact CB-OD1 3.25Å; S1852-N1854 WeakPolarHBondContact CB-OD1 3.38Å; S1852-N1854 PolarHBondContact O-OD1 3.02Å; S1852-N1854 PolarHBondContact OG-OD1 2.9Å; S1852-L1870 CarbonylContact O-C 3.51Å; S1852-L1870 VanDerWaalsContact O-CA 3.25Å; S1852-L1870 WeakPolarHBondContact O-CA 3.34Å; S1852-N1871 PolarHBondContact N-O 3.47Å; S1852-N1871 PolarHBondContact O-N 3.21Å |
| 1853 | L | 54.5 | Low | 55.1 | Low | 55 Ų | 55 | 64.8 Ų | 64.8 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.7 | 171.4 | -177.7 | 146.5 | 0 | 0 | 0 | 108.4 | L1797 L1856 I1868 L1870 | L1797-L1853 HydrophobicContact CD1-CD1 4.27Å; L1797-L1853 HydrophobicContact CD2-CD1 3.71Å; L1853-L1856 HydrophobicContact CD2-CB 4.5Å; L1853-I1868 HydrophobicContact CD1-CG2 3.54Å; L1853-I1868 HydrophobicContact CG-CG2 4.12Å; L1853-L1870 HydrophobicContact CB-CD2 3.73Å; L1853-L1870 HydrophobicContact CD1-CD2 4.07Å; L1853-L1870 HydrophobicContact CG-CD2 4.02Å |
| 1854 | N | 54.2 | Low | 55.9 | Low | 54 Ų | 54 | 62.7 Ų | 62.7 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | -21.6 | -168.7 | -85.4 | 63.1 | 0 | 0 | 0 | 113.5 | S1852 G1869 N1871 | S1852-N1854 VanDerWaalsContact CB-OD1 3.25Å; S1852-N1854 WeakPolarHBondContact CB-OD1 3.38Å; S1852-N1854 PolarHBondContact O-OD1 3.02Å; S1852-N1854 PolarHBondContact OG-OD1 2.9Å; N1854-G1869 PolarHBondContact N-O 3.23Å; N1854-N1871 WeakPolarHBondContact CB-OD1 3.47Å; N1854-N1871 PolarHBondContact ND2-OD1 3.28Å; N1854-N1871 PolarHBondContact OD1-OD1 3.16Å; N1854-N1871 VanDerWaalsContact OD1-OD1 3.12Å |
| 1855 | L | 56.7 | Low | 57.3 | Low | 27 Ų | 27 | 56.4 Ų | 56.4 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.1 | 177.8 | 174.8 | 67.7 | 0 | 0 | 0 | 109.4 | T1857 I1867 I1868 G1869 L1930 | L1855-T1857 HydrophobicContact CD1-CG2 4.25Å; L1855-I1867 HydrophobicContact CD2-CG2 4.32Å; L1855-I1868 CarbonylContact O-C 3.6Å; L1855-I1868 WeakPolarHBondContact O-CA 3.5Å; L1855-G1869 PolarHBondContact N-O 3.17Å; L1855-G1869 PolarHBondContact O-N 2.71Å; L1855-L1930 HydrophobicContact CD2-CD2 4.36Å |
| 1856 | L | 59 | Low | 58.7 | Low | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 93.1 | 177 | -172 | 80.1 | 0 | 0 | 0 | 111.3 | S1772 F1773 G1774 L1775 I1786 L1853 I1866 I1867 I1868 | S1772-L1856 CarbonylContact O-C 3.36Å; F1773-L1856 CarbonylContact C-O 3.53Å; F1773-L1856 WeakPolarHBondContact CA-O 3.29Å; G1774-L1856 PolarHBondContact N-O 3.02Å; L1775-L1856 HydrophobicContact CD2-CD2 3.56Å; L1775-L1856 HydrophobicContact CG-CD2 4.31Å; I1786-L1856 HydrophobicContact CD1-CD1 3.71Å; I1786-L1856 HydrophobicContact CD1-CD2 4Å; I1786-L1856 HydrophobicContact CD1-CG 4.41Å; L1853-L1856 HydrophobicContact CD2-CB 4.5Å; L1856-I1866 HydrophobicContact CD1-CG2 3.89Å; L1856-I1866 HydrophobicContact CG-CG2 4.45Å; L1856-I1867 WeakPolarHBondContact CA-O 3.4Å; L1856-I1868 HydrophobicContact CD1-CB 4.3Å; L1856-I1868 HydrophobicContact CD1-CD1 4.24Å; L1856-I1868 HydrophobicContact CD1-CG1 3.8Å; L1856-I1868 HydrophobicContact CD1-CG2 4.02Å |
| 1857 | T | 61.3 | Low | 59.9 | Low | 14 Ų | 14 | 45.6 Ų | 45.6 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.8 | -175.2 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | S1772 L1855 I1866 I1867 L1932 | S1772-T1857 WeakPolarHBondContact O-CA 3.42Å; S1772-T1857 WeakPolarHBondContact O-CB 3.48Å; S1772-T1857 PolarHBondContact O-OG1 2.77Å; L1855-T1857 HydrophobicContact CD1-CG2 4.25Å; T1857-I1866 CarbonylContact O-C 2.77Å; T1857-I1866 WeakPolarHBondContact O-CA 3.4Å; T1857-I1867 HydrophobicContact CG2-CB 3.83Å; T1857-I1867 HydrophobicContact CG2-CD1 4.28Å; T1857-I1867 HydrophobicContact CG2-CG1 4.29Å; T1857-I1867 PolarHBondContact N-O 3.46Å; T1857-I1867 PolarHBondContact O-N 2.88Å; T1857-L1932 HydrophobicContact CG2-CD1 3.61Å |
| 1858 | Y | 65.6 | Low | 61 | Low | 21 Ų | 21 | 37.7 Ų | 37.7 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 146.6 | 159.5 | -71.9 | -73.4 | 0 | 0 | 0 | 109.6 | G1774 Q1777 M1782 T1784 P1863 H1865 I1866 L1899 | G1774-Y1858 VanDerWaalsContact C-CE2 3.44Å; G1774-Y1858 WeakPolarHBondContact O-CE2 3.38Å; Q1777-Y1858 HydrophobicContact CB-CD2 4.27Å; Q1777-Y1858 HydrophobicContact CB-CE1 4.26Å; Q1777-Y1858 HydrophobicContact CB-CE2 3.67Å; M1782-Y1858 HydrophobicContact CE-CE1 3.86Å; T1784-Y1858 PolarHBondContact OG1-OH 2.89Å; Y1858-P1863 VanDerWaalsContact CD1-O 3.32Å; Y1858-P1863 WeakPolarHBondContact CD1-O 3.37Å; Y1858-H1865 WeakPolarHBondContact CA-O 3.47Å; Y1858-I1866 HydrophobicContact CD1-CD1 4.34Å; Y1858-I1866 HydrophobicContact CD1-CG1 3.59Å; Y1858-I1866 HydrophobicContact CE1-CD1 3.74Å; Y1858-I1866 HydrophobicContact CE1-CG1 3.45Å; Y1858-I1866 VanDerWaalsContact CE1-CG1 3.45Å; Y1858-I1866 HydrophobicContact CG-CG1 4.4Å; Y1858-L1899 HydrophobicContact CE1-CD1 4.06Å |
| 1859 | R | 72.2 | Confident | 62 | Low | 15 Ų | 15 | 36.6 Ų | 36.6 | 6% | 0.057 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.3 | 177.1 | -179 | 170.8 | 178.9 | -160.7 | -9.2 | 109.3 | S1861 Y1862 H1865 I1867 G1936 V1950 | R1859-S1861 PolarHBondContact O-N 3.34Å; R1859-Y1862 HydrophobicContact CG-CD2 3.92Å; R1859-Y1862 HydrophobicContact CG-CG 4.41Å; R1859-Y1862 CarbonylContact O-C 2.92Å; R1859-Y1862 PolarHBondContact O-N 2.79Å; R1859-H1865 HydrophobicContact CB-CB 3.93Å; R1859-H1865 PolarHBondContact N-O 3.47Å; R1859-I1867 HydrophobicContact CB-CD1 3.95Å; R1859-I1867 HydrophobicContact CB-CG1 3.8Å; R1859-I1867 HydrophobicContact CG-CD1 4.01Å; R1859-I1867 HydrophobicContact CG-CG1 4.29Å; R1859-G1936 VanDerWaalsContact CZ-O 3.27Å; R1859-G1936 PolarHBondContact NE-O 3.5Å; R1859-G1936 PolarHBondContact NH2-O 3.39Å; R1859-V1950 VanDerWaalsContact NH2-CG2 3.35Å |
| 1860 | P | 62.8 | Low | 62.8 | Low | 38 Ų | 38 | 31.3 Ų | 31.3 | 25% | 0.247 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 136.8 | 175.5 | -27.4 | 35.4 | 0 | 0 | 0 | 111.3 | Y1862 G1936 | P1860-Y1862 WeakPolarHBondContact O-CD2 3.4Å; P1860-Y1862 PolarHBondContact O-N 2.84Å; P1860-Y1862 VanDerWaalsContact O-N 3.16Å; P1860-G1936 WeakPolarHBondContact O-CA 3.09Å |
| 1861 | S | 61.9 | Low | 63.5 | Low | 99 Ų | 99 | 27.7 Ų | 27.7 | 69% | 0.692 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 3.3 | -176.1 | -54.6 | 0 | 0 | 0 | 0 | 116.9 | R1859 S1934 | R1859-S1861 PolarHBondContact O-N 3.34Å; S1861-S1934 PolarHBondContact OG-O 3.2Å; S1861-S1934 VanDerWaalsContact OG-O 3.05Å |
| 1862 | Y | 67.2 | Low | 63.7 | Low | 93 Ų | 93 | 27.2 Ų | 27.2 | 37% | 0.365 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 85.5 | 177.1 | -65.8 | -90.6 | 0 | 0 | 0 | 111.5 | R1859 P1860 N1864 H1865 | R1859-Y1862 HydrophobicContact CG-CD2 3.92Å; R1859-Y1862 HydrophobicContact CG-CG 4.41Å; R1859-Y1862 CarbonylContact O-C 2.92Å; R1859-Y1862 PolarHBondContact O-N 2.79Å; P1860-Y1862 WeakPolarHBondContact O-CD2 3.4Å; P1860-Y1862 PolarHBondContact O-N 2.84Å; P1860-Y1862 VanDerWaalsContact O-N 3.16Å; Y1862-N1864 VanDerWaalsContact C-N 3.29Å; Y1862-N1864 PolarHBondContact O-N 3.15Å; Y1862-H1865 WeakPolarHBondContact CB-ND1 3.45Å; Y1862-H1865 AromaticContact CD1-CE1 3.67Å; Y1862-H1865 AromaticContact CD1-ND1 3.63Å; Y1862-H1865 AromaticContact CG-ND1 3.66Å; Y1862-H1865 PolarHBondContact O-N 3.11Å; Y1862-H1865 VanDerWaalsContact O-N 3.08Å |
| 1863 | P | 61.3 | Low | 63.5 | Low | 38 Ų | 38 | 27 Ų | 27 | 25% | 0.247 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | -25.6 | -165.5 | 24.1 | -33.5 | 0 | 0 | 0 | 115.3 | Q1777 Y1780 Y1858 H1865 | Q1777-P1863 PolarHBondContact NE2-O 2.81Å; Y1780-P1863 HydrophobicContact CD2-CB 4.26Å; Y1780-P1863 HydrophobicContact CE2-CB 3.71Å; Y1780-P1863 HydrophobicContact CE2-CG 3.93Å; Y1858-P1863 VanDerWaalsContact CD1-O 3.32Å; Y1858-P1863 WeakPolarHBondContact CD1-O 3.37Å; P1863-H1865 VanDerWaalsContact C-N 3.33Å |
| 1864 | N | 66.8 | Low | 63.1 | Low | 24 Ų | 24 | 29.1 Ų | 29.1 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -10.6 | -178.6 | -51.3 | 9.3 | 0 | 0 | 0 | 111.7 | Y1862 D1898 L1899 Y1901 P1902 | Y1862-N1864 VanDerWaalsContact C-N 3.29Å; Y1862-N1864 PolarHBondContact O-N 3.15Å; N1864-D1898 WeakPolarHBondContact CB-OD1 3.49Å; N1864-L1899 WeakPolarHBondContact O-CB 3.37Å; N1864-L1899 WeakPolarHBondContact O-CG 3.49Å; N1864-L1899 PolarHBondContact O-N 2.79Å; N1864-Y1901 VanDerWaalsContact ND2-C 3.31Å; N1864-Y1901 PolarHBondContact OD1-O 3.18Å; N1864-P1902 PolarHBondContact ND2-O 2.72Å; N1864-P1902 WeakPolarHBondContact OD1-CD 3.37Å; N1864-P1902 PolarHBondContact OD1-O 3.07Å |
| 1865 | H | 76.4 | Confident | 62.3 | Low | 30 Ų | 30 | 32.7 Ų | 32.7 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.4 | -174.9 | -60.8 | 165.9 | 0 | 0 | 0 | 111.4 | Y1858 R1859 Y1862 P1863 I1896 V1897 D1898 | Y1858-H1865 WeakPolarHBondContact CA-O 3.47Å; R1859-H1865 HydrophobicContact CB-CB 3.93Å; R1859-H1865 PolarHBondContact N-O 3.47Å; Y1862-H1865 WeakPolarHBondContact CB-ND1 3.45Å; Y1862-H1865 AromaticContact CD1-CE1 3.67Å; Y1862-H1865 AromaticContact CD1-ND1 3.63Å; Y1862-H1865 AromaticContact CG-ND1 3.66Å; Y1862-H1865 PolarHBondContact O-N 3.11Å; Y1862-H1865 VanDerWaalsContact O-N 3.08Å; P1863-H1865 VanDerWaalsContact C-N 3.33Å; H1865-I1896 HydrophobicContact CB-CG2 4.27Å; H1865-V1897 CarbonylContact C-O 3.51Å; H1865-V1897 VanDerWaalsContact CA-O 3.24Å; H1865-V1897 WeakPolarHBondContact CA-O 3.42Å; H1865-D1898 IonicContact CD2-OD1 3.64Å; H1865-D1898 IonicContact NE2-OD2 3.22Å |
| 1866 | I | 73.3 | Confident | 61.5 | Low | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.9 | 168.2 | -67.8 | -177.3 | 0 | 0 | 0 | 109.9 | T1784 L1856 T1857 Y1858 I1868 I1896 V1897 L1899 | T1784-I1866 HydrophobicContact CG2-CD1 3.81Å; L1856-I1866 HydrophobicContact CD1-CG2 3.89Å; L1856-I1866 HydrophobicContact CG-CG2 4.45Å; T1857-I1866 CarbonylContact O-C 2.77Å; T1857-I1866 WeakPolarHBondContact O-CA 3.4Å; Y1858-I1866 HydrophobicContact CD1-CD1 4.34Å; Y1858-I1866 HydrophobicContact CD1-CG1 3.59Å; Y1858-I1866 HydrophobicContact CE1-CD1 3.74Å; Y1858-I1866 HydrophobicContact CE1-CG1 3.45Å; Y1858-I1866 VanDerWaalsContact CE1-CG1 3.45Å; Y1858-I1866 HydrophobicContact CG-CG1 4.4Å; I1866-I1868 HydrophobicContact CG2-CD1 4.44Å; I1866-I1868 HydrophobicContact CG2-CG1 3.77Å; I1866-I1896 CarbonylContact O-C 3.52Å; I1866-I1896 WeakPolarHBondContact O-CA 3.3Å; I1866-V1897 PolarHBondContact N-O 3.17Å; I1866-V1897 PolarHBondContact O-N 2.84Å; I1866-L1899 HydrophobicContact CD1-CD1 3.87Å; I1866-L1899 HydrophobicContact CD1-CD2 4.47Å; I1866-L1899 HydrophobicContact CG1-CD1 4.11Å |
| 1867 | I | 69 | Low | 60.6 | Low | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.1 | 168.5 | -50.4 | -174.4 | 0 | 0 | 0 | 108.4 | L1855 L1856 T1857 R1859 I1894 L1895 I1896 L1932 I1949 | L1855-I1867 HydrophobicContact CD2-CG2 4.32Å; L1856-I1867 WeakPolarHBondContact CA-O 3.4Å; T1857-I1867 HydrophobicContact CG2-CB 3.83Å; T1857-I1867 HydrophobicContact CG2-CD1 4.28Å; T1857-I1867 HydrophobicContact CG2-CG1 4.29Å; T1857-I1867 PolarHBondContact N-O 3.46Å; T1857-I1867 PolarHBondContact O-N 2.88Å; R1859-I1867 HydrophobicContact CB-CD1 3.95Å; R1859-I1867 HydrophobicContact CB-CG1 3.8Å; R1859-I1867 HydrophobicContact CG-CD1 4.01Å; R1859-I1867 HydrophobicContact CG-CG1 4.29Å; I1867-I1894 HydrophobicContact CG2-CG2 3.36Å; I1867-L1895 CarbonylContact C-O 3.52Å; I1867-L1895 WeakPolarHBondContact CA-O 3.47Å; I1867-I1896 HydrophobicContact CG1-CG1 4.41Å; I1867-L1932 HydrophobicContact CD1-CD1 3.92Å; I1867-L1932 HydrophobicContact CD1-CD2 3.99Å; I1867-I1949 HydrophobicContact CD1-CD1 4.04Å |
| 1868 | I | 68.6 | Low | 59.3 | Low | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 112.2 | 177.8 | -42.2 | -175 | 0 | 0 | 0 | 108.6 | L1797 L1853 L1855 L1856 I1866 L1870 L1895 V1897 | L1797-I1868 HydrophobicContact CD1-CD1 3.83Å; L1797-I1868 HydrophobicContact CD1-CG2 4.21Å; L1853-I1868 HydrophobicContact CD1-CG2 3.54Å; L1853-I1868 HydrophobicContact CG-CG2 4.12Å; L1855-I1868 CarbonylContact O-C 3.6Å; L1855-I1868 WeakPolarHBondContact O-CA 3.5Å; L1856-I1868 HydrophobicContact CD1-CB 4.3Å; L1856-I1868 HydrophobicContact CD1-CD1 4.24Å; L1856-I1868 HydrophobicContact CD1-CG1 3.8Å; L1856-I1868 HydrophobicContact CD1-CG2 4.02Å; I1866-I1868 HydrophobicContact CG2-CD1 4.44Å; I1866-I1868 HydrophobicContact CG2-CG1 3.77Å; I1868-L1870 HydrophobicContact CG2-CD2 4.18Å; I1868-L1895 HydrophobicContact CB-CB 4.21Å; I1868-L1895 PolarHBondContact N-O 3.42Å; I1868-L1895 PolarHBondContact O-N 3.44Å; I1868-V1897 HydrophobicContact CD1-CG2 3.85Å; I1868-V1897 HydrophobicContact CG1-CG2 4.22Å |
| 1869 | G | 66.3 | Low | 57.7 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1854 L1855 Y1926 | N1854-G1869 PolarHBondContact N-O 3.23Å; L1855-G1869 PolarHBondContact N-O 3.17Å; L1855-G1869 PolarHBondContact O-N 2.71Å; G1869-Y1926 VanDerWaalsContact C-OH 3.26Å; G1869-Y1926 VanDerWaalsContact CA-OH 3.24Å; G1869-Y1926 WeakPolarHBondContact CA-OH 3.42Å |
| 1870 | L | 65.8 | Low | 55.7 | Low | 9 Ų | 9 | 46.7 Ų | 46.7 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 111.8 | 179.3 | -52.5 | 179.9 | 0 | 0 | 0 | 110 | L1828 A1831 I1851 S1852 L1853 I1868 G1892 V1893 L1895 Y1926 | L1828-L1870 HydrophobicContact CD1-CD1 3.91Å; L1828-L1870 HydrophobicContact CD2-CD1 3.96Å; L1828-L1870 HydrophobicContact CG-CD1 4.43Å; A1831-L1870 HydrophobicContact CB-CD1 4.28Å; I1851-L1870 HydrophobicContact CG2-CB 3.64Å; S1852-L1870 CarbonylContact O-C 3.51Å; S1852-L1870 VanDerWaalsContact O-CA 3.25Å; S1852-L1870 WeakPolarHBondContact O-CA 3.34Å; L1853-L1870 HydrophobicContact CB-CD2 3.73Å; L1853-L1870 HydrophobicContact CD1-CD2 4.07Å; L1853-L1870 HydrophobicContact CG-CD2 4.02Å; I1868-L1870 HydrophobicContact CG2-CD2 4.18Å; L1870-G1892 CarbonylContact O-C 3.57Å; L1870-G1892 VanDerWaalsContact O-CA 3.28Å; L1870-G1892 WeakPolarHBondContact O-CA 3.28Å; L1870-V1893 PolarHBondContact N-O 2.86Å; L1870-V1893 PolarHBondContact O-N 3.11Å; L1870-L1895 HydrophobicContact CD1-CD1 3.61Å; L1870-L1895 HydrophobicContact CG-CD1 4.2Å; L1870-Y1926 PolarHBondContact N-OH 2.89Å |
| 1871 | N | 62 | Low | 54.3 | Low | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 170.1 | -175.3 | 70.7 | 4.4 | 0 | 0 | 0 | 115.4 | I1851 S1852 N1854 Y1926 G1927 | I1851-N1871 WeakPolarHBondContact CA-O 3.08Å; I1851-N1871 VanDerWaalsContact CG2-O 3.24Å; I1851-N1871 WeakPolarHBondContact CG2-O 3.36Å; S1852-N1871 PolarHBondContact N-O 3.47Å; S1852-N1871 PolarHBondContact O-N 3.21Å; N1854-N1871 WeakPolarHBondContact CB-OD1 3.47Å; N1854-N1871 PolarHBondContact ND2-OD1 3.28Å; N1854-N1871 PolarHBondContact OD1-OD1 3.16Å; N1854-N1871 VanDerWaalsContact OD1-OD1 3.12Å; N1871-Y1926 HydrophobicContact CB-CE2 4.14Å; N1871-G1927 PolarHBondContact ND2-O 2.89Å |
| 1872 | E | 58.4 | Low | 52.7 | Low | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | trans | -65.5 | 125.5 | 173.7 | -79.5 | -177.8 | 165.3 | 0 | 0 | 112 | R1846 L1848 W1890 L1891 | R1846-E1872 VanDerWaalsContact CZ-CD 3.49Å; R1846-E1872 IonicContact CZ-OE1 3.75Å; R1846-E1872 IonicContact CZ-OE2 2.6Å; R1846-E1872 IonicContact NE-OE1 3.49Å; R1846-E1872 IonicContact NH1-OE1 3.91Å; R1846-E1872 PolarHBondContact NH1-OE1 3.31Å; R1846-E1872 IonicContact NH1-OE2 3.55Å; R1846-E1872 PolarHBondContact NH1-OE2 3.49Å; R1846-E1872 VanDerWaalsContact NH2-CD 3.29Å; R1846-E1872 IonicContact NH2-OE1 3.98Å; R1846-E1872 PolarHBondContact NH2-OE1 2.9Å; R1846-E1872 IonicContact NH2-OE2 2.74Å; R1846-E1872 PolarHBondContact NH2-OE2 3.2Å; L1848-E1872 HydrophobicContact CD2-CG 3.64Å; L1848-E1872 WeakPolarHBondContact CD2-OE1 3.34Å; L1848-E1872 WeakPolarHBondContact CG-OE1 3.04Å; E1872-W1890 WeakPolarHBondContact O-CZ3 3.39Å; E1872-L1891 HydrophobicContact CG-CB 4.22Å; E1872-L1891 WeakPolarHBondContact CG-O 3.49Å; E1872-L1891 PolarHBondContact N-O 2.97Å; E1872-L1891 PolarHBondContact OE2-N 3.49Å | ||
| 1873 | S | 50.7 | Low | 50.9 | Low | 34 Ų | 34 | 54.4 Ų | 54.4 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | trans | -70.7 | 146.4 | 171.8 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | K1875 T1876 | S1873-K1875 PolarHBondContact O-N 3.19Å; S1873-T1876 PolarHBondContact O-N 2.81Å; S1873-T1876 PolarHBondContact O-OG1 3.31Å | ||
| 1874 | H | 45 | Very low | 49.6 | Very low | 98 Ų | 98 | 56.2 Ų | 56.2 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -45.9 | -33.6 | 179.2 | -68.9 | -101.1 | 0 | 0 | 0 | 114.1 | T1876 L1877 W1890 | H1874-T1876 PolarHBondContact O-N 3.21Å; H1874-L1877 PolarHBondContact O-N 2.91Å; H1874-W1890 AromaticContact CD2-CH2 3.74Å; H1874-W1890 AromaticContact CE1-CH2 3.57Å; H1874-W1890 AromaticContact CE1-CZ2 3.69Å; H1874-W1890 AromaticContact CG-CH2 3.81Å; H1874-W1890 AromaticContact ND1-CH2 3.71Å; H1874-W1890 AromaticContact ND1-CZ2 3.67Å; H1874-W1890 AromaticContact NE2-CH2 3.58Å |
| 1875 | K | 38 | Very low | 47.8 | Very low | 130 Ų | 130 | 58.5 Ų | 58.5 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -58.8 | -20.4 | 179.6 | -67.4 | 176.9 | -179.5 | 170.8 | 0 | 113.4 | S1873 | S1873-K1875 PolarHBondContact O-N 3.19Š|
| 1876 | T | 40.1 | Very low | 45.6 | Very low | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -87.1 | -2.6 | 177.9 | 68.6 | 0 | 0 | 0 | 0 | 114.7 | R1846 Q1849 S1873 H1874 V1880 | R1846-T1876 PolarHBondContact NH2-O 3.24Å; R1846-T1876 PolarHBondContact NH2-OG1 3.14Å; Q1849-T1876 HydrophobicContact CB-CG2 3.85Å; Q1849-T1876 HydrophobicContact CG-CG2 4.29Å; S1873-T1876 PolarHBondContact O-N 2.81Å; S1873-T1876 PolarHBondContact O-OG1 3.31Å; H1874-T1876 PolarHBondContact O-N 3.21Å; T1876-V1880 WeakPolarHBondContact O-CG2 3.4Å |
| 1877 | L | 39.2 | Very low | 44.2 | Very low | 21 Ų | 21 | 69.3 Ų | 69.3 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -20.4 | -177.2 | -70.8 | 172 | 0 | 0 | 0 | 114.3 | H1874 P1879 V1880 V1888 W1890 | H1874-L1877 PolarHBondContact O-N 2.91Å; L1877-P1879 VanDerWaalsContact C-N 3.26Å; L1877-V1880 HydrophobicContact CD2-CB 4.35Å; L1877-V1880 HydrophobicContact CD2-CG2 4.49Å; L1877-V1880 WeakPolarHBondContact O-CA 3.47Å; L1877-V1880 WeakPolarHBondContact O-CB 3.5Å; L1877-V1880 PolarHBondContact O-N 3.23Å; L1877-V1888 HydrophobicContact CD1-CG1 4.42Å; L1877-V1888 HydrophobicContact CD2-CG1 3.89Å; L1877-W1890 HydrophobicContact CD1-CD2 4.01Å; L1877-W1890 VanDerWaalsContact CD1-CE2 3.49Å; L1877-W1890 HydrophobicContact CD1-CG 4.28Å; L1877-W1890 HydrophobicContact CD1-CZ2 3.87Å |
| 1878 | Y | 35 | Very low | 43.3 | Very low | 210 Ų | 210 | 72 Ų | 72 | 82% | 0.824 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.4 | 177.4 | -150.1 | -88.3 | 0 | 0 | 0 | 114.4 | ||
| 1879 | P | 31.9 | Very low | 42.6 | Very low | 112 Ų | 112 | 72.8 Ų | 72.8 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -0.5 | 171.7 | -12.6 | 30.6 | 0 | 0 | 0 | 115.4 | L1877 | L1877-P1879 VanDerWaalsContact C-N 3.26Š|
| 1880 | V | 30.7 | Very low | 42.4 | Very low | 25 Ų | 25 | 73.9 Ų | 73.9 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -8.8 | -165.3 | -172.5 | 0 | 0 | 0 | 0 | 112.8 | I1843 T1876 L1877 R1882 | I1843-V1880 HydrophobicContact CD1-CG1 4Å; T1876-V1880 WeakPolarHBondContact O-CG2 3.4Å; L1877-V1880 HydrophobicContact CD2-CB 4.35Å; L1877-V1880 HydrophobicContact CD2-CG2 4.49Å; L1877-V1880 WeakPolarHBondContact O-CA 3.47Å; L1877-V1880 WeakPolarHBondContact O-CB 3.5Å; L1877-V1880 PolarHBondContact O-N 3.23Å; V1880-R1882 PolarHBondContact O-N 3.27Å |
| 1881 | T | 32.7 | Very low | 42.4 | Very low | 99 Ų | 99 | 73.4 Ų | 73.4 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | trans | -66.6 | 78.8 | 164.2 | 37.3 | 0 | 0 | 0 | 0 | 110.6 | C1883 V1888 | T1881-C1883 PolarHBondContact O-N 2.91Å; T1881-V1888 HydrophobicContact CG2-CG2 4.42Å | ||
| 1882 | R | 28.4 | Very low | 42.7 | Very low | 148 Ų | 148 | 73.4 Ų | 73.4 | 56% | 0.558 | 39% | 0.39 | S | S | * | . | trans | -51.3 | 131 | 173.1 | -86.7 | -174.2 | 63.4 | 141.7 | -3.5 | 110.6 | V1880 D1884 G1885 | V1880-R1882 PolarHBondContact O-N 3.27Å; R1882-D1884 WeakPolarHBondContact CB-OD1 3.23Å; R1882-D1884 IonicContact CZ-OD1 2.67Å; R1882-D1884 VanDerWaalsContact CZ-OD1 3.32Å; R1882-D1884 IonicContact CZ-OD2 2.76Å; R1882-D1884 IonicContact NE-OD1 3.27Å; R1882-D1884 PolarHBondContact NE-OD1 2.79Å; R1882-D1884 IonicContact NE-OD2 3.95Å; R1882-D1884 PolarHBondContact NE-OD2 3.33Å; R1882-D1884 IonicContact NH2-OD1 2.62Å; R1882-D1884 PolarHBondContact NH2-OD1 3.08Å; R1882-D1884 IonicContact NH2-OD2 3.85Å; R1882-D1884 PolarHBondContact NH2-OD2 2.81Å; R1882-D1884 PolarHBondContact O-N 3.34Å; R1882-G1885 PolarHBondContact O-N 2.92Å | ||
| 1883 | C | 30 | Very low | 43.5 | Very low | 144 Ų | 144 | 73.3 Ų | 73.3 | 97% | 0.973 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.3 | -177.7 | -49.4 | 0 | 0 | 0 | 0 | 113.7 | T1881 G1885 | T1881-C1883 PolarHBondContact O-N 2.91Å; C1883-G1885 VanDerWaalsContact C-N 3.31Å |
| 1884 | D | 32.7 | Very low | 44.9 | Very low | 77 Ų | 77 | 71.9 Ų | 71.9 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 19.7 | 172.5 | 62.6 | -58.7 | 0 | 0 | 0 | 114.5 | R1882 R1886 | R1882-D1884 WeakPolarHBondContact CB-OD1 3.23Å; R1882-D1884 IonicContact CZ-OD1 2.67Å; R1882-D1884 VanDerWaalsContact CZ-OD1 3.32Å; R1882-D1884 IonicContact CZ-OD2 2.76Å; R1882-D1884 IonicContact NE-OD1 3.27Å; R1882-D1884 PolarHBondContact NE-OD1 2.79Å; R1882-D1884 IonicContact NE-OD2 3.95Å; R1882-D1884 PolarHBondContact NE-OD2 3.33Å; R1882-D1884 IonicContact NH2-OD1 2.62Å; R1882-D1884 PolarHBondContact NH2-OD1 3.08Å; R1882-D1884 IonicContact NH2-OD2 3.85Å; R1882-D1884 PolarHBondContact NH2-OD2 2.81Å; R1882-D1884 PolarHBondContact O-N 3.34Å; D1884-R1886 VanDerWaalsContact C-N 3.3Å; D1884-R1886 PolarHBondContact O-N 3.25Å; D1884-R1886 VanDerWaalsContact O-N 3.17Å; D1884-R1886 WeakPolarHBondContact OD2-CD 3.47Å; D1884-R1886 IonicContact OD2-NE 3.69Å; D1884-R1886 PolarHBondContact OD2-NE 3.11Å |
| 1885 | G | 30 | Very low | 46.4 | Very low | 72 Ų | 72 | 67.5 Ų | 67.5 | 74% | 0.742 | 36% | 0.358 | S | S | * | . | trans | 70.5 | 13.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | R1882 C1883 | R1882-G1885 PolarHBondContact O-N 2.92Å; C1883-G1885 VanDerWaalsContact C-N 3.31Å | ||
| 1886 | R | 30.2 | Very low | 48.4 | Very low | 170 Ų | 170 | 61.3 Ų | 61.3 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 154.2 | -176.3 | -61.6 | -172.3 | -176.4 | -146 | -4.3 | 112.9 | D1884 | D1884-R1886 VanDerWaalsContact C-N 3.3Å; D1884-R1886 PolarHBondContact O-N 3.25Å; D1884-R1886 VanDerWaalsContact O-N 3.17Å; D1884-R1886 WeakPolarHBondContact OD2-CD 3.47Å; D1884-R1886 IonicContact OD2-NE 3.69Å; D1884-R1886 PolarHBondContact OD2-NE 3.11Å |
| 1887 | T | 43 | Very low | 50.2 | Low | 90 Ų | 90 | 60.8 Ų | 60.8 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 138.5 | -163.6 | 38.1 | 0 | 0 | 0 | 0 | 115.7 | I1963 | T1887-I1963 WeakPolarHBondContact OG1-CD1 3.32Š|
| 1888 | V | 51.4 | Low | 52.3 | Low | 57 Ų | 57 | 60.6 Ų | 60.6 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 126.7 | 179.3 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | L1877 T1881 R1943 | L1877-V1888 HydrophobicContact CD1-CG1 4.42Å; L1877-V1888 HydrophobicContact CD2-CG1 3.89Å; T1881-V1888 HydrophobicContact CG2-CG2 4.42Å; V1888-R1943 PolarHBondContact O-NH2 3.18Å |
| 1889 | V | 53.9 | Low | 54.3 | Low | 17 Ų | 17 | 50.7 Ų | 50.7 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | trans | -118.4 | 131.6 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | D1925 I1963 | V1889-D1925 HydrophobicContact CG1-CB 4.25Å; V1889-I1963 HydrophobicContact CG2-CD1 4.4Å; V1889-I1963 HydrophobicContact CG2-CG2 4.02Å | ||
| 1890 | W | 61.6 | Low | 55.9 | Low | 23 Ų | 23 | 46 Ų | 46 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | trans | -90.6 | 151.5 | 170.7 | -75.9 | 64.6 | 0 | 0 | 0 | 110.3 | E1872 H1874 L1877 D1925 Y1926 | E1872-W1890 WeakPolarHBondContact O-CZ3 3.39Å; H1874-W1890 AromaticContact CD2-CH2 3.74Å; H1874-W1890 AromaticContact CE1-CH2 3.57Å; H1874-W1890 AromaticContact CE1-CZ2 3.69Å; H1874-W1890 AromaticContact CG-CH2 3.81Å; H1874-W1890 AromaticContact ND1-CH2 3.71Å; H1874-W1890 AromaticContact ND1-CZ2 3.67Å; H1874-W1890 AromaticContact NE2-CH2 3.58Å; L1877-W1890 HydrophobicContact CD1-CD2 4.01Å; L1877-W1890 VanDerWaalsContact CD1-CE2 3.49Å; L1877-W1890 HydrophobicContact CD1-CG 4.28Å; L1877-W1890 HydrophobicContact CD1-CZ2 3.87Å; W1890-D1925 WeakPolarHBondContact O-CA 3.48Å; W1890-Y1926 WeakPolarHBondContact CB-O 3.49Å | ||
| 1891 | L | 65.4 | Low | 57.5 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -122.8 | 137.7 | 170 | -67.6 | 171.4 | 0 | 0 | 0 | 111.3 | T1835 A1838 L1842 E1872 | T1835-L1891 HydrophobicContact CG2-CB 4.3Å; A1838-L1891 HydrophobicContact CB-CD1 4.31Å; A1838-L1891 HydrophobicContact CB-CD2 4.45Å; L1842-L1891 HydrophobicContact CD1-CD1 4.06Å; L1842-L1891 HydrophobicContact CD1-CD2 3.81Å; L1842-L1891 HydrophobicContact CD1-CG 4.24Å; E1872-L1891 HydrophobicContact CG-CB 4.22Å; E1872-L1891 WeakPolarHBondContact CG-O 3.49Å; E1872-L1891 PolarHBondContact N-O 2.97Å; E1872-L1891 PolarHBondContact OE2-N 3.49Å | ||
| 1892 | G | 68.9 | Low | 58.4 | Low | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 165.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113 | L1870 L1923 L1924 | L1870-G1892 CarbonylContact O-C 3.57Å; L1870-G1892 VanDerWaalsContact O-CA 3.28Å; L1870-G1892 WeakPolarHBondContact O-CA 3.28Å; G1892-L1923 WeakPolarHBondContact O-CA 3.22Å; G1892-L1924 PolarHBondContact N-O 3.2Å; G1892-L1924 VanDerWaalsContact N-O 3.13Å; G1892-L1924 PolarHBondContact O-N 3.33Å |
| 1893 | V | 75.6 | Confident | 59.1 | Low | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | A1831 T1835 L1870 T1921 I1922 L1923 Y1926 | A1831-V1893 HydrophobicContact CB-CB 4.35Å; A1831-V1893 HydrophobicContact CB-CG1 3.87Å; A1831-V1893 WeakPolarHBondContact O-CG2 3.46Å; T1835-V1893 HydrophobicContact CG2-CG2 3.63Å; L1870-V1893 PolarHBondContact N-O 2.86Å; L1870-V1893 PolarHBondContact O-N 3.11Å; V1893-T1921 HydrophobicContact CG1-CG2 3.45Å; V1893-T1921 VanDerWaalsContact CG1-CG2 3.45Å; V1893-I1922 CarbonylContact C-O 3.52Å; V1893-I1922 WeakPolarHBondContact CA-O 3.44Å; V1893-L1923 HydrophobicContact CG2-CD1 4.08Å; V1893-Y1926 PolarHBondContact O-OH 3.12Å |
| 1894 | I | 78.6 | Confident | 59.9 | Low | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.8 | 169.5 | -61.1 | -172.2 | 0 | 0 | 0 | 109 | I1867 I1896 T1921 I1922 L1924 Y1926 L1930 | I1867-I1894 HydrophobicContact CG2-CG2 3.36Å; I1894-I1896 HydrophobicContact CG2-CG1 4.47Å; I1894-T1921 WeakPolarHBondContact O-CA 3.09Å; I1894-I1922 PolarHBondContact N-O 3.16Å; I1894-I1922 PolarHBondContact O-N 2.73Å; I1894-L1924 HydrophobicContact CD1-CD1 3.74Å; I1894-L1924 HydrophobicContact CG1-CD1 4.34Å; I1894-Y1926 HydrophobicContact CD1-CD1 4.5Å; I1894-Y1926 HydrophobicContact CD1-CE1 4.25Å; I1894-Y1926 HydrophobicContact CG1-CD1 4.39Å; I1894-Y1926 HydrophobicContact CG1-CE1 3.7Å; I1894-L1930 HydrophobicContact CD1-CD2 3.63Å |
| 1895 | L | 76.6 | Confident | 60.7 | Low | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.9 | 170.6 | -71.3 | 154.1 | 0 | 0 | 0 | 108.8 | L1828 A1831 I1867 I1868 L1870 V1897 V1918 H1920 T1921 | L1828-L1895 HydrophobicContact CD2-CD1 3.54Å; A1831-L1895 HydrophobicContact CB-CD1 4.13Å; A1831-L1895 HydrophobicContact CB-CD2 4.31Å; A1831-L1895 HydrophobicContact CB-CG 4.4Å; I1867-L1895 CarbonylContact C-O 3.52Å; I1867-L1895 WeakPolarHBondContact CA-O 3.47Å; I1868-L1895 HydrophobicContact CB-CB 4.21Å; I1868-L1895 PolarHBondContact N-O 3.42Å; I1868-L1895 PolarHBondContact O-N 3.44Å; L1870-L1895 HydrophobicContact CD1-CD1 3.61Å; L1870-L1895 HydrophobicContact CG-CD1 4.2Å; L1895-V1897 HydrophobicContact CB-CG2 4.44Å; L1895-V1918 HydrophobicContact CD2-CG1 3.6Å; L1895-H1920 CarbonylContact C-O 3.49Å; L1895-H1920 VanDerWaalsContact CA-O 3.31Å; L1895-H1920 WeakPolarHBondContact CA-O 3.23Å; L1895-T1921 HydrophobicContact CD2-CG2 3.86Å; L1895-T1921 VanDerWaalsContact CD2-OG1 3.27Å; L1895-T1921 WeakPolarHBondContact CD2-OG1 3.49Å |
| 1896 | I | 81.5 | Confident | 61.6 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.3 | 167.9 | -58.5 | 177.5 | 0 | 0 | 0 | 107.1 | H1865 I1866 I1867 I1894 L1919 H1920 | H1865-I1896 HydrophobicContact CB-CG2 4.27Å; I1866-I1896 CarbonylContact O-C 3.52Å; I1866-I1896 WeakPolarHBondContact O-CA 3.3Å; I1867-I1896 HydrophobicContact CG1-CG1 4.41Å; I1894-I1896 HydrophobicContact CG2-CG1 4.47Å; I1896-L1919 HydrophobicContact CG2-CD1 4.26Å; I1896-L1919 PolarHBondContact O-N 3.09Å; I1896-H1920 HydrophobicContact CB-CB 4.31Å; I1896-H1920 PolarHBondContact N-O 2.8Å; I1896-H1920 PolarHBondContact O-N 3.33Å |
| 1897 | V | 77.3 | Confident | 62.5 | Low | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.9 | -170.8 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | I1826 H1865 I1866 I1868 L1895 P1916 Q1917 V1918 | I1826-V1897 HydrophobicContact CD1-CG1 3.76Å; I1826-V1897 HydrophobicContact CD1-CG2 4.47Å; H1865-V1897 CarbonylContact C-O 3.51Å; H1865-V1897 VanDerWaalsContact CA-O 3.24Å; H1865-V1897 WeakPolarHBondContact CA-O 3.42Å; I1866-V1897 PolarHBondContact N-O 3.17Å; I1866-V1897 PolarHBondContact O-N 2.84Å; I1868-V1897 HydrophobicContact CD1-CG2 3.85Å; I1868-V1897 HydrophobicContact CG1-CG2 4.22Å; L1895-V1897 HydrophobicContact CB-CG2 4.44Å; V1897-P1916 HydrophobicContact CG1-CB 3.97Å; V1897-Q1917 CarbonylContact C-O 3.55Å; V1897-Q1917 WeakPolarHBondContact CA-O 3.05Å; V1897-V1918 HydrophobicContact CG2-CG2 4.29Å |
| 1898 | D | 82.5 | Confident | 62.8 | Low | 18 Ų | 18 | 43.7 Ų | 43.7 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.7 | 170.8 | -170.5 | 5.6 | 0 | 0 | 0 | 111.1 | N1864 H1865 G1900 Y1915 P1916 Q1917 L1919 | N1864-D1898 WeakPolarHBondContact CB-OD1 3.49Å; H1865-D1898 IonicContact CD2-OD1 3.64Å; H1865-D1898 IonicContact NE2-OD2 3.22Å; D1898-G1900 PolarHBondContact OD1-N 2.92Å; D1898-Y1915 HydrophobicContact CB-CD1 4.46Å; D1898-Y1915 HydrophobicContact CB-CE1 4.05Å; D1898-Y1915 VanDerWaalsContact OD2-CE1 3.32Å; D1898-Y1915 WeakPolarHBondContact OD2-CE1 2.98Å; D1898-P1916 CarbonylContact O-C 3.47Å; D1898-P1916 VanDerWaalsContact O-CA 3.28Å; D1898-P1916 WeakPolarHBondContact O-CA 3.24Å; D1898-Q1917 PolarHBondContact N-O 3.16Å; D1898-Q1917 PolarHBondContact O-N 3.26Å; D1898-L1919 HydrophobicContact CB-CD1 4.14Å; D1898-L1919 HydrophobicContact CB-CD2 4.23Å; D1898-L1919 HydrophobicContact CB-CG 4.13Å |
| 1899 | L | 77.1 | Confident | 62.9 | Low | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -96.7 | -14.1 | 178.3 | -57.6 | 176.4 | 0 | 0 | 0 | 113.1 | M1782 V1801 W1819 Y1858 N1864 I1866 P1916 | M1782-L1899 HydrophobicContact CE-CD1 3.7Å; M1782-L1899 HydrophobicContact SD-CD1 4.44Å; V1801-L1899 HydrophobicContact CG2-CD1 4.34Å; V1801-L1899 HydrophobicContact CG2-CD2 4.25Å; W1819-L1899 HydrophobicContact CH2-CD2 3.83Å; W1819-L1899 HydrophobicContact CZ2-CB 4.2Å; W1819-L1899 HydrophobicContact CZ2-CD2 3.94Å; W1819-L1899 PolarHBondContact NE1-O 2.81Å; Y1858-L1899 HydrophobicContact CE1-CD1 4.06Å; N1864-L1899 WeakPolarHBondContact O-CB 3.37Å; N1864-L1899 WeakPolarHBondContact O-CG 3.49Å; N1864-L1899 PolarHBondContact O-N 2.79Å; I1866-L1899 HydrophobicContact CD1-CD1 3.87Å; I1866-L1899 HydrophobicContact CD1-CD2 4.47Å; I1866-L1899 HydrophobicContact CG1-CD1 4.11Å; L1899-P1916 HydrophobicContact CD2-CB 4.28Å | ||
| 1900 | G | 65.7 | Low | 63 | Low | 12 Ų | 12 | 52 Ų | 52 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | trans | 82.9 | 11.6 | 174 | 0 | 0 | 0 | 0 | 0 | 116.5 | D1898 Y1915 | D1898-G1900 PolarHBondContact OD1-N 2.92Å; G1900-Y1915 VanDerWaalsContact CA-CD1 3.47Å; G1900-Y1915 VanDerWaalsContact CA-CE1 3.43Å; G1900-Y1915 VanDerWaalsContact CA-CZ 3.49Å | ||
| 1901 | Y | 63.6 | Low | 62.7 | Low | 40 Ų | 40 | 55.9 Ų | 55.9 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | trans | -159.2 | 145.1 | -179.5 | -163.4 | -103.1 | 0 | 0 | 0 | 113.2 | I1803 L1818 N1864 G1906 M1908 | I1803-Y1901 HydrophobicContact CD1-CD1 3.39Å; I1803-Y1901 HydrophobicContact CD1-CE1 3.77Å; I1803-Y1901 HydrophobicContact CD1-CG 4.33Å; I1803-Y1901 HydrophobicContact CG2-CE1 4.48Å; L1818-Y1901 HydrophobicContact CD1-CD1 4.09Å; L1818-Y1901 HydrophobicContact CD1-CD2 4.16Å; L1818-Y1901 HydrophobicContact CD1-CG 3.71Å; N1864-Y1901 VanDerWaalsContact ND2-C 3.31Å; N1864-Y1901 PolarHBondContact OD1-O 3.18Å; Y1901-G1906 PolarHBondContact OH-O 3.43Å; Y1901-M1908 HydrophobicContact CD2-CE 4.13Å; Y1901-M1908 HydrophobicContact CD2-CG 4.34Å; Y1901-M1908 HydrophobicContact CD2-SD 3.49Å; Y1901-M1908 WeakPolarHBondContact CD2-SD 3.08Å; Y1901-M1908 HydrophobicContact CE2-CB 4.33Å; Y1901-M1908 HydrophobicContact CE2-CE 3.65Å; Y1901-M1908 HydrophobicContact CE2-CG 3.78Å; Y1901-M1908 HydrophobicContact CE2-SD 3.37Å; Y1901-M1908 WeakPolarHBondContact CE2-SD 3.4Å; Y1901-M1908 HydrophobicContact CG-SD 4.41Å | ||
| 1902 | P | 52.5 | Low | 62.5 | Low | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.065 | 29% | 0.29 | C | S | . | . | cis | -102.7 | 168.8 | -7.8 | 36.4 | -29 | 0 | 0 | 0 | 113.8 | Y1780 N1864 | Y1780-P1902 HydrophobicContact CD1-CG 3.47Å; Y1780-P1902 VanDerWaalsContact CD1-CG 3.47Å; Y1780-P1902 HydrophobicContact CD2-CG 4.08Å; Y1780-P1902 HydrophobicContact CE1-CG 3.63Å; Y1780-P1902 HydrophobicContact CE2-CG 4.23Å; Y1780-P1902 HydrophobicContact CG-CG 3.71Å; N1864-P1902 PolarHBondContact ND2-O 2.72Å; N1864-P1902 WeakPolarHBondContact OD1-CD 3.37Å; N1864-P1902 PolarHBondContact OD1-O 3.07Å | ||
| 1903 | H | 43.8 | Very low | 62.3 | Low | 122 Ų | 122 | 64.7 Ų | 64.7 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | trans | -82.8 | 162.3 | 154.6 | -83.7 | -65.8 | 0 | 0 | 0 | 111 | D1905 G1906 | H1903-D1905 PolarHBondContact O-N 2.83Å; H1903-G1906 PolarHBondContact O-N 2.89Å | ||
| 1904 | E | 46.7 | Very low | 61.9 | Low | 175 Ų | 175 | 69.7 Ų | 69.7 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -30.2 | -178.6 | -58.8 | -166 | 127.5 | 0 | 0 | 113.6 | G1906 | E1904-G1906 PolarHBondContact O-N 3.16Š|
| 1905 | D | 49.4 | Very low | 61.4 | Low | 117 Ų | 117 | 71.1 Ų | 71.1 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -4 | 172.6 | -87.8 | 10.7 | 0 | 0 | 0 | 114.5 | H1903 R1907 | H1903-D1905 PolarHBondContact O-N 2.83Å; D1905-R1907 HydrophobicContact CB-CG 4.14Å; D1905-R1907 PolarHBondContact O-N 3.27Å; D1905-R1907 IonicContact OD2-CZ 3.63Å; D1905-R1907 IonicContact OD2-NE 3.58Å; D1905-R1907 IonicContact OD2-NH1 3.32Å |
| 1906 | G | 47.5 | Very low | 61.1 | Low | 46 Ų | 46 | 71.9 Ų | 71.9 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | trans | 67.6 | 13.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1901 H1903 E1904 | Y1901-G1906 PolarHBondContact OH-O 3.43Å; H1903-G1906 PolarHBondContact O-N 2.89Å; E1904-G1906 PolarHBondContact O-N 3.16Å | ||
| 1907 | R | 49.3 | Very low | 60.9 | Low | 176 Ų | 176 | 76.4 Ų | 76.4 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 139.9 | 179.1 | -67.1 | 177.4 | -177.4 | 164.8 | 7.1 | 111.1 | D1905 | D1905-R1907 HydrophobicContact CB-CG 4.14Å; D1905-R1907 PolarHBondContact O-N 3.27Å; D1905-R1907 IonicContact OD2-CZ 3.63Å; D1905-R1907 IonicContact OD2-NE 3.58Å; D1905-R1907 IonicContact OD2-NH1 3.32Å |
| 1908 | M | 49.8 | Very low | 60.9 | Low | 92 Ų | 92 | 78.7 Ų | 78.7 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -61 | 137.8 | 164 | -72.6 | -76.2 | 173.6 | 0 | 0 | 109.8 | L1818 Y1901 I1912 | L1818-M1908 HydrophobicContact CD1-CE 3.91Å; L1818-M1908 HydrophobicContact CD1-SD 3.96Å; Y1901-M1908 HydrophobicContact CD2-CE 4.13Å; Y1901-M1908 HydrophobicContact CD2-CG 4.34Å; Y1901-M1908 HydrophobicContact CD2-SD 3.49Å; Y1901-M1908 WeakPolarHBondContact CD2-SD 3.08Å; Y1901-M1908 HydrophobicContact CE2-CB 4.33Å; Y1901-M1908 HydrophobicContact CE2-CE 3.65Å; Y1901-M1908 HydrophobicContact CE2-CG 3.78Å; Y1901-M1908 HydrophobicContact CE2-SD 3.37Å; Y1901-M1908 WeakPolarHBondContact CE2-SD 3.4Å; Y1901-M1908 HydrophobicContact CG-SD 4.41Å; M1908-I1912 HydrophobicContact CB-CD1 4.29Å; M1908-I1912 HydrophobicContact CG-CD1 4.27Å; M1908-I1912 HydrophobicContact SD-CD1 3.81Å |
| 1909 | D | 53.9 | Low | 60.7 | Low | 60 Ų | 60 | 80.7 Ų | 80.7 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 151.2 | 160.8 | -160 | -1.7 | 0 | 0 | 0 | 109.3 | I1912 | D1909-I1912 VanDerWaalsContact O-CG1 3.29Å; D1909-I1912 WeakPolarHBondContact O-CG1 3.39Å |
| 1910 | K | 55 | Low | 60.7 | Low | 188 Ų | 188 | 83.8 Ų | 83.8 | 82% | 0.817 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -75.5 | -33.3 | -167.3 | -72.8 | -176.4 | -176.7 | 176.6 | 0 | 113.2 | I1912 | K1910-I1912 PolarHBondContact O-N 3.33Š|
| 1911 | D | 56.9 | Low | 61.2 | Low | 104 Ų | 104 | 85 Ų | 85 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | trans | -102.4 | 57.3 | -173.8 | -60.5 | -20.8 | 0 | 0 | 0 | 110.6 | D1913 N1914 | D1911-D1913 PolarHBondContact O-N 2.86Å; D1911-N1914 WeakPolarHBondContact CB-ND2 3.5Å; D1911-N1914 WeakPolarHBondContact O-CB 3.45Å; D1911-N1914 PolarHBondContact O-N 3.12Å | ||
| 1912 | I | 61 | Low | 61.7 | Low | 54 Ų | 54 | 84 Ų | 84 | 28% | 0.277 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -51.1 | -29.1 | 179.2 | -56 | 179.1 | 0 | 0 | 0 | 111.6 | R1824 M1908 D1909 K1910 N1914 Y1915 | R1824-I1912 PolarHBondContact NH1-O 2.98Å; M1908-I1912 HydrophobicContact CB-CD1 4.29Å; M1908-I1912 HydrophobicContact CG-CD1 4.27Å; M1908-I1912 HydrophobicContact SD-CD1 3.81Å; D1909-I1912 VanDerWaalsContact O-CG1 3.29Å; D1909-I1912 WeakPolarHBondContact O-CG1 3.39Å; K1910-I1912 PolarHBondContact O-N 3.33Å; I1912-N1914 PolarHBondContact O-N 2.78Å; I1912-Y1915 PolarHBondContact O-N 3.08Å |
| 1913 | D | 64.8 | Low | 62.7 | Low | 132 Ų | 132 | 83.9 Ų | 83.9 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -68.6 | -12.8 | 179 | -70.6 | -29.8 | 0 | 0 | 0 | 115.4 | R1824 D1911 | R1824-D1913 IonicContact CZ-OD1 2.76Å; R1824-D1913 IonicContact NH1-OD1 3.57Å; R1824-D1913 IonicContact NH2-OD1 2.81Å; R1824-D1913 PolarHBondContact NH2-OD1 3.06Å; D1911-D1913 PolarHBondContact O-N 2.86Å |
| 1914 | N | 65.8 | Low | 63.9 | Low | 105 Ų | 105 | 78.3 Ų | 78.3 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -82.8 | -9.9 | 174.9 | -68.6 | -26.3 | 0 | 0 | 0 | 114.1 | D1911 I1912 | D1911-N1914 WeakPolarHBondContact CB-ND2 3.5Å; D1911-N1914 WeakPolarHBondContact O-CB 3.45Å; D1911-N1914 PolarHBondContact O-N 3.12Å; I1912-N1914 PolarHBondContact O-N 2.78Å |
| 1915 | Y | 69.2 | Low | 64.9 | Low | 33 Ų | 33 | 70.1 Ų | 70.1 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | trans | -105.5 | 150.1 | -172.6 | -68.1 | -73.7 | 0 | 0 | 0 | 113.6 | R1824 D1898 G1900 I1912 Q1917 | R1824-Y1915 WeakPolarHBondContact CD-O 3.44Å; R1824-Y1915 PolarHBondContact NH1-O 3.43Å; D1898-Y1915 HydrophobicContact CB-CD1 4.46Å; D1898-Y1915 HydrophobicContact CB-CE1 4.05Å; D1898-Y1915 VanDerWaalsContact OD2-CE1 3.32Å; D1898-Y1915 WeakPolarHBondContact OD2-CE1 2.98Å; G1900-Y1915 VanDerWaalsContact CA-CD1 3.47Å; G1900-Y1915 VanDerWaalsContact CA-CE1 3.43Å; G1900-Y1915 VanDerWaalsContact CA-CZ 3.49Å; I1912-Y1915 PolarHBondContact O-N 3.08Å; Y1915-Q1917 HydrophobicContact CD1-CB 4.26Å; Y1915-Q1917 HydrophobicContact CE1-CB 4.45Å | ||
| 1916 | P | 71 | Confident | 65.4 | Low | 22 Ų | 22 | 64.6 Ų | 64.6 | 14% | 0.143 | 33% | 0.328 | C | S | . | . | S | Bend | cis | -77 | 142.4 | -1.2 | 30.5 | -34.1 | 0 | 0 | 0 | 113.9 | W1819 I1826 V1897 D1898 L1899 | W1819-P1916 HydrophobicContact CH2-CB 3.7Å; W1819-P1916 HydrophobicContact CH2-CG 3.63Å; W1819-P1916 HydrophobicContact CZ2-CB 3.83Å; W1819-P1916 HydrophobicContact CZ2-CG 4.1Å; W1819-P1916 HydrophobicContact CZ3-CG 4.03Å; I1826-P1916 HydrophobicContact CD1-CB 4.11Å; I1826-P1916 HydrophobicContact CD1-CG 3.85Å; I1826-P1916 HydrophobicContact CG1-CB 4.32Å; I1826-P1916 HydrophobicContact CG1-CG 3.64Å; V1897-P1916 HydrophobicContact CG1-CB 3.97Å; D1898-P1916 CarbonylContact O-C 3.47Å; D1898-P1916 VanDerWaalsContact O-CA 3.28Å; D1898-P1916 WeakPolarHBondContact O-CA 3.24Å; L1899-P1916 HydrophobicContact CD2-CB 4.28Å |
| 1917 | Q | 76.8 | Confident | 65.7 | Low | 94 Ų | 94 | 62.4 Ų | 62.4 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.6 | -175.4 | -174.4 | 178.4 | 2.5 | 0 | 0 | 111.8 | V1897 D1898 Y1915 L1919 | V1897-Q1917 CarbonylContact C-O 3.55Å; V1897-Q1917 WeakPolarHBondContact CA-O 3.05Å; D1898-Q1917 PolarHBondContact N-O 3.16Å; D1898-Q1917 PolarHBondContact O-N 3.26Å; Y1915-Q1917 HydrophobicContact CD1-CB 4.26Å; Y1915-Q1917 HydrophobicContact CE1-CB 4.45Å; Q1917-L1919 PolarHBondContact O-N 3.18Å |
| 1918 | V | 75.9 | Confident | 65.7 | Low | 50 Ų | 50 | 56.3 Ų | 56.3 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 117.2 | 170.7 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | I1826 L1895 V1897 | I1826-V1918 HydrophobicContact CG2-CG2 3.73Å; L1895-V1918 HydrophobicContact CD2-CG1 3.6Å; V1897-V1918 HydrophobicContact CG2-CG2 4.29Å |
| 1919 | L | 78.7 | Confident | 65.6 | Low | 61 Ų | 61 | 56 Ų | 56 | 32% | 0.319 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -47.9 | 176.7 | -61.4 | -179.5 | 0 | 0 | 0 | 112 | I1896 D1898 Q1917 | I1896-L1919 HydrophobicContact CG2-CD1 4.26Å; I1896-L1919 PolarHBondContact O-N 3.09Å; D1898-L1919 HydrophobicContact CB-CD1 4.14Å; D1898-L1919 HydrophobicContact CB-CD2 4.23Å; D1898-L1919 HydrophobicContact CB-CG 4.13Å; Q1917-L1919 PolarHBondContact O-N 3.18Å |
| 1920 | H | 76.7 | Confident | 65.7 | Low | 67 Ų | 67 | 54 Ų | 54 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.8 | -172.8 | -58.9 | -35.6 | 0 | 0 | 0 | 111.4 | L1895 I1896 I1922 | L1895-H1920 CarbonylContact C-O 3.49Å; L1895-H1920 VanDerWaalsContact CA-O 3.31Å; L1895-H1920 WeakPolarHBondContact CA-O 3.23Å; I1896-H1920 HydrophobicContact CB-CB 4.31Å; I1896-H1920 PolarHBondContact N-O 2.8Å; I1896-H1920 PolarHBondContact O-N 3.33Å; H1920-I1922 HydrophobicContact CB-CD1 3.88Å; H1920-I1922 HydrophobicContact CB-CG1 4.26Å |
| 1921 | T | 77.7 | Confident | 65.9 | Low | 36 Ų | 36 | 49 Ų | 49 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 106.6 | 175.4 | -55.5 | 0 | 0 | 0 | 0 | 108.1 | A1831 L1834 V1893 I1894 L1895 | A1831-T1921 HydrophobicContact CB-CG2 3.96Å; L1834-T1921 HydrophobicContact CD1-CG2 3.83Å; V1893-T1921 HydrophobicContact CG1-CG2 3.45Å; V1893-T1921 VanDerWaalsContact CG1-CG2 3.45Å; I1894-T1921 WeakPolarHBondContact O-CA 3.09Å; L1895-T1921 HydrophobicContact CD2-CG2 3.86Å; L1895-T1921 VanDerWaalsContact CD2-OG1 3.27Å; L1895-T1921 WeakPolarHBondContact CD2-OG1 3.49Å |
| 1922 | I | 74.2 | Confident | 66.1 | Low | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.5 | -163.2 | -63.4 | 167.1 | 0 | 0 | 0 | 110.8 | V1893 I1894 H1920 L1924 I1949 V1950 | V1893-I1922 CarbonylContact C-O 3.52Å; V1893-I1922 WeakPolarHBondContact CA-O 3.44Å; I1894-I1922 PolarHBondContact N-O 3.16Å; I1894-I1922 PolarHBondContact O-N 2.73Å; H1920-I1922 HydrophobicContact CB-CD1 3.88Å; H1920-I1922 HydrophobicContact CB-CG1 4.26Å; I1922-L1924 HydrophobicContact CG2-CD1 4.47Å; I1922-L1924 HydrophobicContact CG2-CG 4.24Å; I1922-I1949 WeakPolarHBondContact CD1-O 3.38Å; I1922-V1950 WeakPolarHBondContact CD1-O 3.35Å |
| 1923 | L | 73.5 | Confident | 65.9 | Low | 9 Ų | 9 | 45.2 Ų | 45.2 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.7 | 179.2 | -174.2 | 83.8 | 0 | 0 | 0 | 111.2 | T1835 A1838 G1892 V1893 M1970 N1971 | T1835-L1923 HydrophobicContact CG2-CD1 3.92Å; A1838-L1923 HydrophobicContact CB-CD1 3.98Å; A1838-L1923 HydrophobicContact CB-CD2 3.46Å; A1838-L1923 VanDerWaalsContact CB-CD2 3.46Å; A1838-L1923 HydrophobicContact CB-CG 4.38Å; G1892-L1923 WeakPolarHBondContact O-CA 3.22Å; V1893-L1923 HydrophobicContact CG2-CD1 4.08Å; L1923-M1970 HydrophobicContact CD2-CB 4.24Å; L1923-M1970 HydrophobicContact CD2-CG 4.5Å; L1923-M1970 HydrophobicContact CD2-SD 3.44Å; L1923-M1970 WeakPolarHBondContact CD2-SD 3.44Å; L1923-N1971 PolarHBondContact O-ND2 3.35Å; L1923-N1971 PolarHBondContact O-OD1 2.81Å |
| 1924 | L | 68.4 | Low | 65.4 | Low | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 154.3 | -178.1 | -75.7 | 170.5 | 0 | 0 | 0 | 112.2 | G1892 I1894 I1922 Y1926 Y1947 | G1892-L1924 PolarHBondContact N-O 3.2Å; G1892-L1924 VanDerWaalsContact N-O 3.13Å; G1892-L1924 PolarHBondContact O-N 3.33Å; I1894-L1924 HydrophobicContact CD1-CD1 3.74Å; I1894-L1924 HydrophobicContact CG1-CD1 4.34Å; I1922-L1924 HydrophobicContact CG2-CD1 4.47Å; I1922-L1924 HydrophobicContact CG2-CG 4.24Å; L1924-Y1926 HydrophobicContact CB-CD1 3.78Å; L1924-Y1926 HydrophobicContact CB-CE1 4.47Å; L1924-Y1926 PolarHBondContact O-N 2.84Å; L1924-Y1926 VanDerWaalsContact O-N 3.15Å; L1924-Y1947 HydrophobicContact CD2-CD1 3.64Å; L1924-Y1947 HydrophobicContact CD2-CD2 4.48Å; L1924-Y1947 HydrophobicContact CD2-CE1 4.14Å; L1924-Y1947 HydrophobicContact CD2-CG 3.85Å |
| 1925 | D | 67.9 | Low | 65.2 | Low | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | trans | -85.2 | 44.5 | 174.5 | 84.6 | -41.2 | 0 | 0 | 0 | 112.6 | V1889 W1890 N1941 Y1942 R1943 Y1947 L1967 | V1889-D1925 HydrophobicContact CG1-CB 4.25Å; W1890-D1925 WeakPolarHBondContact O-CA 3.48Å; D1925-N1941 PolarHBondContact O-ND2 3.19Å; D1925-N1941 PolarHBondContact OD1-ND2 2.83Å; D1925-Y1942 WeakPolarHBondContact O-CE1 3.48Å; D1925-R1943 IonicContact OD2-CZ 2.75Å; D1925-R1943 IonicContact OD2-NE 2.94Å; D1925-R1943 IonicContact OD2-NH1 3.49Å; D1925-R1943 PolarHBondContact OD2-NH1 3.15Å; D1925-Y1947 WeakPolarHBondContact OD1-CE2 3.33Å; D1925-Y1947 PolarHBondContact OD1-OH 2.85Å; D1925-L1967 HydrophobicContact CB-CD1 3.96Å | ||
| 1926 | Y | 59.5 | Low | 64.9 | Low | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | trans | -86.3 | 145 | 178.1 | 76.7 | -78.3 | 0 | 0 | 0 | 112.1 | G1869 L1870 N1871 W1890 V1893 I1894 L1924 L1930 | G1869-Y1926 VanDerWaalsContact C-OH 3.26Å; G1869-Y1926 VanDerWaalsContact CA-OH 3.24Å; G1869-Y1926 WeakPolarHBondContact CA-OH 3.42Å; L1870-Y1926 PolarHBondContact N-OH 2.89Å; N1871-Y1926 HydrophobicContact CB-CE2 4.14Å; W1890-Y1926 WeakPolarHBondContact CB-O 3.49Å; V1893-Y1926 PolarHBondContact O-OH 3.12Å; I1894-Y1926 HydrophobicContact CD1-CD1 4.5Å; I1894-Y1926 HydrophobicContact CD1-CE1 4.25Å; I1894-Y1926 HydrophobicContact CG1-CD1 4.39Å; I1894-Y1926 HydrophobicContact CG1-CE1 3.7Å; L1924-Y1926 HydrophobicContact CB-CD1 3.78Å; L1924-Y1926 HydrophobicContact CB-CE1 4.47Å; L1924-Y1926 PolarHBondContact O-N 2.84Å; L1924-Y1926 VanDerWaalsContact O-N 3.15Å; Y1926-L1930 HydrophobicContact CD2-CB 4.19Å; Y1926-L1930 HydrophobicContact CG-CD1 4.15Å | ||
| 1927 | G | 53.8 | Low | 64.8 | Low | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -82.6 | -147.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1871 N1929 | N1871-G1927 PolarHBondContact ND2-O 2.89Å; G1927-N1929 VanDerWaalsContact C-N 3.33Å | ||
| 1928 | P | 48.8 | Very low | 64.4 | Low | 49 Ų | 49 | 37 Ų | 37 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -62.5 | -41.6 | 171.2 | 25.4 | -31.4 | 0 | 0 | 0 | 111.5 | ||
| 1929 | N | 48.6 | Very low | 64.1 | Low | 84 Ų | 84 | 34.6 Ų | 34.6 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | trans | -105.9 | 143.7 | -173.5 | -62.7 | -0.5 | 0 | 0 | 0 | 112.6 | G1927 | G1927-N1929 VanDerWaalsContact C-N 3.33Š| ||
| 1930 | L | 56.2 | Low | 63.2 | Low | 18 Ų | 18 | 32 Ų | 32 | 9% | 0.094 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 117.7 | 175 | -177.6 | 105.3 | 0 | 0 | 0 | 108.9 | L1855 I1894 Y1926 L1932 A1939 I1940 N1941 | L1855-L1930 HydrophobicContact CD2-CD2 4.36Å; I1894-L1930 HydrophobicContact CD1-CD2 3.63Å; Y1926-L1930 HydrophobicContact CD2-CB 4.19Å; Y1926-L1930 HydrophobicContact CG-CD1 4.15Å; L1930-L1932 HydrophobicContact CD2-CD2 4.07Å; L1930-L1932 HydrophobicContact CD2-CG 4.19Å; L1930-A1939 HydrophobicContact CD1-CB 4.14Å; L1930-A1939 HydrophobicContact CD2-CB 3.81Å; L1930-A1939 HydrophobicContact CG-CB 3.94Å; L1930-I1940 WeakPolarHBondContact CA-O 3.05Å; L1930-N1941 HydrophobicContact CD1-CB 4.43Å |
| 1931 | I | 58.8 | Low | 62.6 | Low | 85 Ų | 85 | 29 Ų | 29 | 44% | 0.436 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 130.2 | 179.9 | -59.3 | 172.7 | 0 | 0 | 0 | 108.7 | A1939 I1940 | I1931-A1939 CarbonylContact O-C 3.43Å; I1931-A1939 WeakPolarHBondContact O-CA 3.41Å; I1931-A1939 WeakPolarHBondContact O-CB 3.33Å; I1931-I1940 HydrophobicContact CB-CB 4.44Å; I1931-I1940 PolarHBondContact N-O 2.98Å; I1931-I1940 PolarHBondContact O-N 3.05Å |
| 1932 | L | 60.1 | Low | 61.7 | Low | 38 Ų | 38 | 31.8 Ų | 31.8 | 20% | 0.199 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.7 | 179.5 | -71.7 | 156.3 | 0 | 0 | 0 | 110.4 | T1857 I1867 L1930 A1939 I1949 | T1857-L1932 HydrophobicContact CG2-CD1 3.61Å; I1867-L1932 HydrophobicContact CD1-CD1 3.92Å; I1867-L1932 HydrophobicContact CD1-CD2 3.99Å; L1930-L1932 HydrophobicContact CD2-CD2 4.07Å; L1930-L1932 HydrophobicContact CD2-CG 4.19Å; L1932-A1939 HydrophobicContact CD2-CB 4.1Å; L1932-I1949 HydrophobicContact CD2-CD1 3.51Å; L1932-I1949 HydrophobicContact CD2-CG2 4.11Å |
| 1933 | F | 56.9 | Low | 60.8 | Low | 40 Ų | 40 | 34.3 Ų | 34.3 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | trans | -83.3 | 157.5 | 177.9 | -81.3 | -107.4 | 0 | 0 | 0 | 112.2 | D1935 G1936 T1938 I1940 | F1933-D1935 WeakPolarHBondContact CB-OD1 3.28Å; F1933-D1935 PolarHBondContact O-N 2.81Å; F1933-D1935 VanDerWaalsContact O-N 3.15Å; F1933-G1936 PolarHBondContact O-N 2.77Å; F1933-T1938 HydrophobicContact CD2-CG2 4.2Å; F1933-T1938 PolarHBondContact N-O 3.03Å; F1933-I1940 HydrophobicContact CE2-CD1 3.68Å; F1933-I1940 HydrophobicContact CE2-CG1 3.95Å; F1933-I1940 HydrophobicContact CZ-CD1 3.97Å | ||
| 1934 | S | 54.2 | Low | 60 | Low | 100 Ų | 100 | 35.9 Ų | 35.9 | 70% | 0.699 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.4 | 178 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | S1861 G1936 | S1861-S1934 PolarHBondContact OG-O 3.2Å; S1861-S1934 VanDerWaalsContact OG-O 3.05Å; S1934-G1936 PolarHBondContact O-N 2.75Å |
| 1935 | D | 62.4 | Low | 59.7 | Low | 62 Ų | 62 | 36.9 Ų | 36.9 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -12.8 | 172.1 | 75.5 | -11.2 | 0 | 0 | 0 | 113.5 | F1933 L1937 T1938 | F1933-D1935 WeakPolarHBondContact CB-OD1 3.28Å; F1933-D1935 PolarHBondContact O-N 2.81Å; F1933-D1935 VanDerWaalsContact O-N 3.15Å; D1935-L1937 WeakPolarHBondContact O-CG 3.36Å; D1935-L1937 PolarHBondContact O-N 3.27Å; D1935-L1937 VanDerWaalsContact O-N 3.17Å; D1935-L1937 PolarHBondContact OD1-N 2.8Å; D1935-T1938 PolarHBondContact OD1-N 2.91Å; D1935-T1938 VanDerWaalsContact OD2-CB 3.3Å; D1935-T1938 WeakPolarHBondContact OD2-CB 3.36Å; D1935-T1938 PolarHBondContact OD2-N 2.9Å; D1935-T1938 PolarHBondContact OD2-OG1 3.24Å |
| 1936 | G | 62.3 | Low | 59.4 | Low | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 63.1 | 18 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1859 P1860 F1933 S1934 | R1859-G1936 VanDerWaalsContact CZ-O 3.27Å; R1859-G1936 PolarHBondContact NE-O 3.5Å; R1859-G1936 PolarHBondContact NH2-O 3.39Å; P1860-G1936 WeakPolarHBondContact O-CA 3.09Å; F1933-G1936 PolarHBondContact O-N 2.77Å; S1934-G1936 PolarHBondContact O-N 2.75Å |
| 1937 | L | 69.9 | Low | 59.8 | Low | 49 Ų | 49 | 37.6 Ų | 37.6 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -135.1 | -25.6 | -171.1 | -72.5 | 170.1 | 0 | 0 | 0 | 113.1 | D1935 N1948 I1949 V1950 | D1935-L1937 WeakPolarHBondContact O-CG 3.36Å; D1935-L1937 PolarHBondContact O-N 3.27Å; D1935-L1937 VanDerWaalsContact O-N 3.17Å; D1935-L1937 PolarHBondContact OD1-N 2.8Å; L1937-N1948 CarbonylContact O-C 3.45Å; L1937-N1948 VanDerWaalsContact O-CA 3.24Å; L1937-N1948 WeakPolarHBondContact O-CA 3.38Å; L1937-I1949 PolarHBondContact O-N 2.92Å; L1937-V1950 HydrophobicContact CD2-CB 4.38Å; L1937-V1950 HydrophobicContact CD2-CG2 3.71Å |
| 1938 | T | 68.9 | Low | 60.8 | Low | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.5 | -175 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | F1933 D1935 M1946 Y1947 K1955 | F1933-T1938 HydrophobicContact CD2-CG2 4.2Å; F1933-T1938 PolarHBondContact N-O 3.03Å; D1935-T1938 PolarHBondContact OD1-N 2.91Å; D1935-T1938 VanDerWaalsContact OD2-CB 3.3Å; D1935-T1938 WeakPolarHBondContact OD2-CB 3.36Å; D1935-T1938 PolarHBondContact OD2-N 2.9Å; D1935-T1938 PolarHBondContact OD2-OG1 3.24Å; T1938-M1946 HydrophobicContact CG2-CE 3.74Å; T1938-Y1947 CarbonylContact C-O 3.55Å; T1938-Y1947 WeakPolarHBondContact CA-O 3.35Å; T1938-K1955 HydrophobicContact CG2-CD 4.41Å; T1938-K1955 WeakPolarHBondContact OG1-CE 3.06Å; T1938-K1955 PolarHBondContact OG1-NZ 3.35Å |
| 1939 | A | 68.6 | Low | 62 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1930 I1931 L1932 M1946 Y1947 I1949 | L1930-A1939 HydrophobicContact CD1-CB 4.14Å; L1930-A1939 HydrophobicContact CD2-CB 3.81Å; L1930-A1939 HydrophobicContact CG-CB 3.94Å; I1931-A1939 CarbonylContact O-C 3.43Å; I1931-A1939 WeakPolarHBondContact O-CA 3.41Å; I1931-A1939 WeakPolarHBondContact O-CB 3.33Å; L1932-A1939 HydrophobicContact CD2-CB 4.1Å; A1939-M1946 CarbonylContact O-C 3.47Å; A1939-M1946 WeakPolarHBondContact O-CA 3.37Å; A1939-Y1947 PolarHBondContact N-O 3.1Å; A1939-Y1947 PolarHBondContact O-N 3.06Å; A1939-I1949 HydrophobicContact CB-CG2 3.36Å |
| 1940 | I | 59.7 | Low | 63 | Low | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137 | 174.1 | -69.8 | 176.5 | 0 | 0 | 0 | 109.9 | L1930 I1931 F1933 L1944 N1945 M1946 L2035 | L1930-I1940 WeakPolarHBondContact CA-O 3.05Å; I1931-I1940 HydrophobicContact CB-CB 4.44Å; I1931-I1940 PolarHBondContact N-O 2.98Å; I1931-I1940 PolarHBondContact O-N 3.05Å; F1933-I1940 HydrophobicContact CE2-CD1 3.68Å; F1933-I1940 HydrophobicContact CE2-CG1 3.95Å; F1933-I1940 HydrophobicContact CZ-CD1 3.97Å; I1940-L1944 HydrophobicContact CG2-CD2 4.44Å; I1940-N1945 WeakPolarHBondContact CA-O 3.45Å; I1940-M1946 HydrophobicContact CD1-CG 3.94Å; I1940-M1946 HydrophobicContact CG1-CB 4.47Å; I1940-M1946 HydrophobicContact CG1-CG 3.71Å; I1940-L2035 HydrophobicContact CD1-CD1 4.23Å |
| 1941 | N | 63.5 | Low | 63.8 | Low | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 174.9 | 173.8 | 82.2 | -8.4 | 0 | 0 | 0 | 112.9 | D1925 L1930 R1943 L1944 N1945 | D1925-N1941 PolarHBondContact O-ND2 3.19Å; D1925-N1941 PolarHBondContact OD1-ND2 2.83Å; L1930-N1941 HydrophobicContact CD1-CB 4.43Å; N1941-R1943 PolarHBondContact O-N 2.97Å; N1941-R1943 WeakPolarHBondContact OD1-CB 3.38Å; N1941-R1943 PolarHBondContact OD1-N 2.84Å; N1941-L1944 PolarHBondContact O-N 2.86Å; N1941-N1945 PolarHBondContact N-O 3.4Å; N1941-N1945 WeakPolarHBondContact OD1-CB 3.44Å; N1941-N1945 PolarHBondContact OD1-N 2.64Å |
| 1942 | Y | 59.4 | Low | 64.1 | Low | 93 Ų | 93 | 33.6 Ų | 33.6 | 37% | 0.365 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -9.2 | 177.4 | 76.3 | -77.1 | 0 | 0 | 0 | 116.6 | D1925 | D1925-Y1942 WeakPolarHBondContact O-CE1 3.48Š|
| 1943 | R | 55.4 | Low | 64.4 | Low | 73 Ų | 73 | 35.1 Ų | 35.1 | 28% | 0.275 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 11.1 | 174.6 | -62 | 171.6 | 165.7 | -174.2 | -14.7 | 112.6 | V1888 D1925 N1941 N1945 | V1888-R1943 PolarHBondContact O-NH2 3.18Å; D1925-R1943 IonicContact OD2-CZ 2.75Å; D1925-R1943 IonicContact OD2-NE 2.94Å; D1925-R1943 IonicContact OD2-NH1 3.49Å; D1925-R1943 PolarHBondContact OD2-NH1 3.15Å; N1941-R1943 PolarHBondContact O-N 2.97Å; N1941-R1943 WeakPolarHBondContact OD1-CB 3.38Å; N1941-R1943 PolarHBondContact OD1-N 2.84Å; R1943-N1945 PolarHBondContact O-N 2.71Å |
| 1944 | L | 56.1 | Low | 64.7 | Low | 42 Ų | 42 | 35.6 Ų | 35.6 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | trans | 60.4 | 21.8 | -171.3 | -55.3 | 177.3 | 0 | 0 | 0 | 114.2 | I1940 N1941 I2026 L2035 Y2079 | I1940-L1944 HydrophobicContact CG2-CD2 4.44Å; N1941-L1944 PolarHBondContact O-N 2.86Å; L1944-I2026 HydrophobicContact CD2-CD1 4.29Å; L1944-L2035 HydrophobicContact CD2-CD2 4.16Å; L1944-Y2079 HydrophobicContact CD1-CD2 4.46Å; L1944-Y2079 HydrophobicContact CD1-CE2 4.01Å | ||
| 1945 | N | 61.6 | Low | 64.8 | Low | 25 Ų | 25 | 34.2 Ų | 34.2 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | trans | -86 | 125.3 | 179.8 | -67.5 | -37.6 | 0 | 0 | 0 | 111.9 | I1940 N1941 R1943 Y1947 R1954 | I1940-N1945 WeakPolarHBondContact CA-O 3.45Å; N1941-N1945 PolarHBondContact N-O 3.4Å; N1941-N1945 WeakPolarHBondContact OD1-CB 3.44Å; N1941-N1945 PolarHBondContact OD1-N 2.64Å; R1943-N1945 PolarHBondContact O-N 2.71Å; N1945-Y1947 HydrophobicContact CB-CD2 4.43Å; N1945-Y1947 HydrophobicContact CB-CE2 3.71Å; N1945-Y1947 WeakPolarHBondContact O-CD2 3.48Å; N1945-R1954 VanDerWaalsContact CG-NH2 3.34Å; N1945-R1954 PolarHBondContact ND2-NH2 2.88Å; N1945-R1954 PolarHBondContact OD1-NE 3.45Å; N1945-R1954 PolarHBondContact OD1-NH2 3.45Å | ||
| 1946 | M | 62.9 | Low | 64 | Low | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.3 | 177 | -66.5 | -179.4 | 81.9 | 0 | 0 | 112.9 | T1938 A1939 I1940 R1954 K1955 I2103 L2105 | T1938-M1946 HydrophobicContact CG2-CE 3.74Å; A1939-M1946 CarbonylContact O-C 3.47Å; A1939-M1946 WeakPolarHBondContact O-CA 3.37Å; I1940-M1946 HydrophobicContact CD1-CG 3.94Å; I1940-M1946 HydrophobicContact CG1-CB 4.47Å; I1940-M1946 HydrophobicContact CG1-CG 3.71Å; M1946-R1954 CarbonylContact O-C 3.57Å; M1946-R1954 VanDerWaalsContact O-CA 3.3Å; M1946-R1954 WeakPolarHBondContact O-CA 2.96Å; M1946-R1954 WeakPolarHBondContact O-CG 3.25Å; M1946-K1955 HydrophobicContact CB-CB 4.29Å; M1946-K1955 PolarHBondContact O-N 3.1Å; M1946-I2103 HydrophobicContact CE-CB 4.16Å; M1946-I2103 HydrophobicContact CE-CG2 3.88Å; M1946-I2103 HydrophobicContact SD-CG2 4.47Å; M1946-L2105 HydrophobicContact CG-CD1 4.35Å; M1946-L2105 HydrophobicContact SD-CD1 3.95Å |
| 1947 | Y | 66.9 | Low | 63.4 | Low | 11 Ų | 11 | 38.9 Ų | 38.9 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.9 | 175.8 | -68.6 | -82.3 | 0 | 0 | 0 | 112.3 | L1924 D1925 T1938 A1939 N1945 R1954 | L1924-Y1947 HydrophobicContact CD2-CD1 3.64Å; L1924-Y1947 HydrophobicContact CD2-CD2 4.48Å; L1924-Y1947 HydrophobicContact CD2-CE1 4.14Å; L1924-Y1947 HydrophobicContact CD2-CG 3.85Å; D1925-Y1947 WeakPolarHBondContact OD1-CE2 3.33Å; D1925-Y1947 PolarHBondContact OD1-OH 2.85Å; T1938-Y1947 CarbonylContact C-O 3.55Å; T1938-Y1947 WeakPolarHBondContact CA-O 3.35Å; A1939-Y1947 PolarHBondContact N-O 3.1Å; A1939-Y1947 PolarHBondContact O-N 3.06Å; N1945-Y1947 HydrophobicContact CB-CD2 4.43Å; N1945-Y1947 HydrophobicContact CB-CE2 3.71Å; N1945-Y1947 WeakPolarHBondContact O-CD2 3.48Å; Y1947-R1954 HydrophobicContact CD1-CB 3.82Å; Y1947-R1954 HydrophobicContact CD1-CG 4.3Å; Y1947-R1954 HydrophobicContact CE1-CB 3.59Å; Y1947-R1954 HydrophobicContact CE1-CG 3.94Å |
| 1948 | N | 76.1 | Confident | 61.8 | Low | 35 Ų | 35 | 41.4 Ų | 41.4 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118 | 164.5 | 174.1 | -59.8 | 0 | 0 | 0 | 109.2 | L1937 V1950 T1951 G1952 N1953 | L1937-N1948 CarbonylContact O-C 3.45Å; L1937-N1948 VanDerWaalsContact O-CA 3.24Å; L1937-N1948 WeakPolarHBondContact O-CA 3.38Å; N1948-V1950 PolarHBondContact O-N 2.87Å; N1948-V1950 PolarHBondContact OD1-N 3.16Å; N1948-T1951 WeakPolarHBondContact CB-OG1 2.96Å; N1948-T1951 PolarHBondContact O-N 2.94Å; N1948-T1951 PolarHBondContact OD1-N 2.91Å; N1948-T1951 PolarHBondContact OD1-OG1 3.25Å; N1948-G1952 WeakPolarHBondContact O-CA 3.46Å; N1948-G1952 PolarHBondContact O-N 3.27Å; N1948-N1953 PolarHBondContact N-O 2.91Å |
| 1949 | I | 73.7 | Confident | 60.3 | Low | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.7 | -170.9 | 71.9 | -178.2 | 0 | 0 | 0 | 114.9 | I1867 I1922 L1932 L1937 A1939 | I1867-I1949 HydrophobicContact CD1-CD1 4.04Å; I1922-I1949 WeakPolarHBondContact CD1-O 3.38Å; L1932-I1949 HydrophobicContact CD2-CD1 3.51Å; L1932-I1949 HydrophobicContact CD2-CG2 4.11Å; L1937-I1949 PolarHBondContact O-N 2.92Å; A1939-I1949 HydrophobicContact CB-CG2 3.36Å |
| 1950 | V | 69.7 | Low | 58.8 | Low | 44 Ų | 44 | 53.7 Ų | 53.7 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -31.4 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111.3 | R1859 I1922 L1937 N1948 | R1859-V1950 VanDerWaalsContact NH2-CG2 3.35Å; I1922-V1950 WeakPolarHBondContact CD1-O 3.35Å; L1937-V1950 HydrophobicContact CD2-CB 4.38Å; L1937-V1950 HydrophobicContact CD2-CG2 3.71Å; N1948-V1950 PolarHBondContact O-N 2.87Å; N1948-V1950 PolarHBondContact OD1-N 3.16Å |
| 1951 | T | 71.6 | Confident | 58.1 | Low | 68 Ų | 68 | 55.3 Ų | 55.3 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -9.5 | -179 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | N1948 N1953 | N1948-T1951 WeakPolarHBondContact CB-OG1 2.96Å; N1948-T1951 PolarHBondContact O-N 2.94Å; N1948-T1951 PolarHBondContact OD1-N 2.91Å; N1948-T1951 PolarHBondContact OD1-OG1 3.25Å; T1951-N1953 PolarHBondContact O-N 3.27Å |
| 1952 | G | 65.9 | Low | 57.4 | Low | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | trans | 69 | -4.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1948 N1971 | N1948-G1952 WeakPolarHBondContact O-CA 3.46Å; N1948-G1952 PolarHBondContact O-N 3.27Å; G1952-N1971 PolarHBondContact O-ND2 2.88Å | ||
| 1953 | N | 65.8 | Low | 56.7 | Low | 69 Ų | 69 | 61 Ų | 61 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | trans | -79.2 | 139.4 | -175 | -70.1 | -46.9 | 0 | 0 | 0 | 112.2 | N1948 T1951 | N1948-N1953 PolarHBondContact N-O 2.91Å; T1951-N1953 PolarHBondContact O-N 3.27Å | ||
| 1954 | R | 63.9 | Low | 56.4 | Low | 50 Ų | 50 | 58.9 Ų | 58.9 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 132.3 | 174 | -169 | 166.6 | 164.1 | -174.3 | -13.9 | 109.8 | N1945 M1946 Y1947 Y1956 D1964 | N1945-R1954 VanDerWaalsContact CG-NH2 3.34Å; N1945-R1954 PolarHBondContact ND2-NH2 2.88Å; N1945-R1954 PolarHBondContact OD1-NE 3.45Å; N1945-R1954 PolarHBondContact OD1-NH2 3.45Å; M1946-R1954 CarbonylContact O-C 3.57Å; M1946-R1954 VanDerWaalsContact O-CA 3.3Å; M1946-R1954 WeakPolarHBondContact O-CA 2.96Å; M1946-R1954 WeakPolarHBondContact O-CG 3.25Å; Y1947-R1954 HydrophobicContact CD1-CB 3.82Å; Y1947-R1954 HydrophobicContact CD1-CG 4.3Å; Y1947-R1954 HydrophobicContact CE1-CB 3.59Å; Y1947-R1954 HydrophobicContact CE1-CG 3.94Å; R1954-Y1956 PolarHBondContact NE-O 2.9Å; R1954-D1964 IonicContact CZ-OD1 3.78Å; R1954-D1964 IonicContact NH1-OD1 3.19Å; R1954-D1964 PolarHBondContact NH1-OD1 3.39Å; R1954-D1964 IonicContact NH2-OD1 2.82Å |
| 1955 | K | 56.7 | Low | 56.1 | Low | 72 Ų | 72 | 60.8 Ų | 60.8 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | trans | -74 | -43.1 | -175.4 | -71.1 | -167.9 | -178.6 | -179.8 | 0 | 113.1 | T1938 M1946 | T1938-K1955 HydrophobicContact CG2-CD 4.41Å; T1938-K1955 WeakPolarHBondContact OG1-CE 3.06Å; T1938-K1955 PolarHBondContact OG1-NZ 3.35Å; M1946-K1955 HydrophobicContact CB-CB 4.29Å; M1946-K1955 PolarHBondContact O-N 3.1Å | ||
| 1956 | Y | 44.6 | Very low | 55.7 | Low | 113 Ų | 113 | 62.9 Ų | 62.9 | 44% | 0.443 | 33% | 0.333 | S | S | . | . | trans | -145.7 | 155.6 | -174.9 | -59.2 | -73.8 | 0 | 0 | 0 | 112.9 | R1954 I2103 | R1954-Y1956 PolarHBondContact NE-O 2.9Å; Y1956-I2103 WeakPolarHBondContact CE2-O 3.32Å | ||
| 1957 | G | 49.4 | Very low | 55.2 | Low | 47 Ų | 47 | 63.2 Ų | 63.2 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | trans | 147.2 | 145.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1958 | P | 38.1 | Very low | 54.5 | Low | 102 Ų | 102 | 66.8 Ų | 66.8 | 66% | 0.662 | 35% | 0.352 | S | S | * | . | trans | -70.7 | 136.1 | 178.8 | 28.7 | -34 | 0 | 0 | 0 | 111.8 | T1960 | P1958-T1960 PolarHBondContact O-N 2.9Š| ||
| 1959 | E | 35.8 | Very low | 53.3 | Low | 125 Ų | 125 | 73.9 Ų | 73.9 | 58% | 0.584 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -75.4 | 29 | -168.3 | -52.5 | -166.6 | 160.5 | 0 | 0 | 116.8 | K1965 | E1959-K1965 WeakPolarHBondContact O-CE 3.17Å; E1959-K1965 PolarHBondContact O-NZ 2.73Å; E1959-K1965 WeakPolarHBondContact OE2-CE 3.45Å; E1959-K1965 IonicContact OE2-NZ 2.88Å; E1959-K1965 PolarHBondContact OE2-NZ 2.42Å |
| 1960 | T | 37.3 | Very low | 52.3 | Low | 135 Ų | 135 | 75.4 Ų | 75.4 | 83% | 0.828 | 38% | 0.384 | S | S | * | . | trans | -92.6 | -2.9 | -161.1 | 49.6 | 0 | 0 | 0 | 0 | 115.9 | P1958 | P1958-T1960 PolarHBondContact O-N 2.9Š| ||
| 1961 | S | 44.7 | Very low | 51.2 | Low | 40 Ų | 40 | 74.6 Ų | 74.6 | 28% | 0.28 | 38% | 0.378 | S | S | . | . | trans | -106.4 | 140.4 | 170.3 | 102.9 | 0 | 0 | 0 | 0 | 112.9 | I1963 D1964 K1965 | S1961-I1963 PolarHBondContact O-N 3.29Å; S1961-I1963 PolarHBondContact OG-N 2.74Å; S1961-D1964 VanDerWaalsContact CB-OD2 3.27Å; S1961-D1964 WeakPolarHBondContact CB-OD2 3.22Å; S1961-D1964 PolarHBondContact O-N 2.8Å; S1961-D1964 PolarHBondContact OG-N 3.2Å; S1961-D1964 VanDerWaalsContact OG-N 3.08Å; S1961-D1964 PolarHBondContact OG-OD2 2.54Å; S1961-K1965 PolarHBondContact O-N 2.78Å | ||
| 1962 | E | 48.8 | Very low | 50 | Low | 170 Ų | 170 | 74.7 Ų | 74.7 | 79% | 0.794 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.1 | -29.1 | 173.2 | -66.7 | -167.8 | 120.2 | 0 | 0 | 112 | K1965 F1966 | E1962-K1965 PolarHBondContact O-N 2.99Å; E1962-F1966 VanDerWaalsContact O-CB 3.31Å; E1962-F1966 WeakPolarHBondContact O-CB 3.29Å; E1962-F1966 PolarHBondContact O-N 3.19Å |
| 1963 | I | 45.5 | Very low | 48.7 | Very low | 48 Ų | 48 | 77.4 Ų | 77.4 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 179.7 | -60.2 | 174.3 | 0 | 0 | 0 | 110.3 | T1887 V1889 S1961 F1966 L1967 | T1887-I1963 WeakPolarHBondContact OG1-CD1 3.32Å; V1889-I1963 HydrophobicContact CG2-CD1 4.4Å; V1889-I1963 HydrophobicContact CG2-CG2 4.02Å; S1961-I1963 PolarHBondContact O-N 3.29Å; S1961-I1963 PolarHBondContact OG-N 2.74Å; I1963-F1966 WeakPolarHBondContact O-CB 3.49Å; I1963-F1966 PolarHBondContact O-N 2.74Å; I1963-F1966 VanDerWaalsContact O-N 3.13Å; I1963-L1967 HydrophobicContact CG2-CD1 4.03Å; I1963-L1967 HydrophobicContact CG2-CG 4.4Å; I1963-L1967 WeakPolarHBondContact O-CG 3.32Å; I1963-L1967 PolarHBondContact O-N 2.88Å |
| 1964 | D | 48.7 | Very low | 47 | Very low | 27 Ų | 27 | 82.1 Ų | 82.1 | 14% | 0.144 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 177.1 | -60.5 | -55 | 0 | 0 | 0 | 110.9 | R1954 S1961 F1966 L1967 Q1968 | R1954-D1964 IonicContact CZ-OD1 3.78Å; R1954-D1964 IonicContact NH1-OD1 3.19Å; R1954-D1964 PolarHBondContact NH1-OD1 3.39Å; R1954-D1964 IonicContact NH2-OD1 2.82Å; S1961-D1964 VanDerWaalsContact CB-OD2 3.27Å; S1961-D1964 WeakPolarHBondContact CB-OD2 3.22Å; S1961-D1964 PolarHBondContact O-N 2.8Å; S1961-D1964 PolarHBondContact OG-N 3.2Å; S1961-D1964 VanDerWaalsContact OG-N 3.08Å; S1961-D1964 PolarHBondContact OG-OD2 2.54Å; D1964-F1966 PolarHBondContact O-N 3.28Å; D1964-L1967 PolarHBondContact O-N 3.28Å; D1964-Q1968 WeakPolarHBondContact O-CB 3.37Å; D1964-Q1968 VanDerWaalsContact O-CG 3.31Å; D1964-Q1968 WeakPolarHBondContact O-CG 3.49Å; D1964-Q1968 PolarHBondContact O-N 3.17Å |
| 1965 | K | 50.9 | Low | 45.4 | Very low | 83 Ų | 83 | 87 Ų | 87 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -23.2 | 173.8 | -72.1 | -179.4 | 169.6 | 164.8 | 0 | 113.1 | E1959 S1961 E1962 R1969 | E1959-K1965 WeakPolarHBondContact O-CE 3.17Å; E1959-K1965 PolarHBondContact O-NZ 2.73Å; E1959-K1965 WeakPolarHBondContact OE2-CE 3.45Å; E1959-K1965 IonicContact OE2-NZ 2.88Å; E1959-K1965 PolarHBondContact OE2-NZ 2.42Å; S1961-K1965 PolarHBondContact O-N 2.78Å; E1962-K1965 PolarHBondContact O-N 2.99Å; K1965-R1969 WeakPolarHBondContact O-CD 3.05Å; K1965-R1969 VanDerWaalsContact O-CG 3.23Å; K1965-R1969 WeakPolarHBondContact O-CG 3.48Å; K1965-R1969 PolarHBondContact O-N 3.28Å |
| 1966 | F | 51.8 | Low | 43.9 | Very low | 69 Ų | 69 | 89.9 Ų | 89.9 | 30% | 0.303 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -83 | -44.7 | 176.7 | -158.5 | -109.6 | 0 | 0 | 0 | 111.9 | I1841 L1842 E1962 I1963 D1964 R1969 M1970 | I1841-F1966 HydrophobicContact CG2-CE1 3.69Å; I1841-F1966 HydrophobicContact CG2-CE2 4.41Å; I1841-F1966 HydrophobicContact CG2-CZ 3.4Å; I1841-F1966 WeakPolarHBondContact O-CZ 3.33Å; L1842-F1966 HydrophobicContact CD2-CD1 3.63Å; L1842-F1966 HydrophobicContact CD2-CE1 3.72Å; L1842-F1966 HydrophobicContact CG-CD1 4.15Å; L1842-F1966 HydrophobicContact CG-CE1 3.88Å; E1962-F1966 VanDerWaalsContact O-CB 3.31Å; E1962-F1966 WeakPolarHBondContact O-CB 3.29Å; E1962-F1966 PolarHBondContact O-N 3.19Å; I1963-F1966 WeakPolarHBondContact O-CB 3.49Å; I1963-F1966 PolarHBondContact O-N 2.74Å; I1963-F1966 VanDerWaalsContact O-N 3.13Å; D1964-F1966 PolarHBondContact O-N 3.28Å; F1966-R1969 WeakPolarHBondContact O-CB 3.42Å; F1966-R1969 PolarHBondContact O-N 3.23Å; F1966-M1970 HydrophobicContact CD1-CE 3.7Å; F1966-M1970 HydrophobicContact CE1-CE 3.57Å; F1966-M1970 PolarHBondContact O-N 2.6Å; F1966-M1970 VanDerWaalsContact O-N 3.1Å |
| 1967 | L | 53.8 | Low | 43 | Very low | 15 Ų | 15 | 90.8 Ų | 90.8 | 8% | 0.079 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.1 | -69.6 | 170.4 | 0 | 0 | 0 | 111.6 | D1925 I1963 D1964 R1969 M1970 N1971 | D1925-L1967 HydrophobicContact CB-CD1 3.96Å; I1963-L1967 HydrophobicContact CG2-CD1 4.03Å; I1963-L1967 HydrophobicContact CG2-CG 4.4Å; I1963-L1967 WeakPolarHBondContact O-CG 3.32Å; I1963-L1967 PolarHBondContact O-N 2.88Å; D1964-L1967 PolarHBondContact O-N 3.28Å; L1967-R1969 VanDerWaalsContact C-N 3.26Å; L1967-R1969 PolarHBondContact O-N 3.1Å; L1967-M1970 HydrophobicContact CD2-SD 4.44Å; L1967-M1970 WeakPolarHBondContact O-CB 3.45Å; L1967-M1970 PolarHBondContact O-N 2.78Å; L1967-N1971 PolarHBondContact O-N 3.38Å; L1967-N1971 VanDerWaalsContact O-N 3.16Å |
| 1968 | Q | 51 | Low | 41.6 | Very low | 85 Ų | 85 | 93.6 Ų | 93.6 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.3 | -38.8 | 171.2 | -76.2 | 175.6 | -17.7 | 0 | 0 | 112.2 | D1964 N1971 S1972 | D1964-Q1968 WeakPolarHBondContact O-CB 3.37Å; D1964-Q1968 VanDerWaalsContact O-CG 3.31Å; D1964-Q1968 WeakPolarHBondContact O-CG 3.49Å; D1964-Q1968 PolarHBondContact O-N 3.17Å; Q1968-N1971 PolarHBondContact O-N 3.18Å; Q1968-S1972 VanDerWaalsContact O-CB 3.29Å; Q1968-S1972 WeakPolarHBondContact O-CB 3.47Å; Q1968-S1972 PolarHBondContact O-N 3.07Å; Q1968-S1972 PolarHBondContact O-OG 2.88Å |
| 1969 | R | 52.8 | Low | 41 | Very low | 184 Ų | 184 | 94.1 Ų | 94.1 | 69% | 0.694 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.3 | -23.7 | 175.1 | -75.5 | 171.4 | -176.2 | 174 | 3.6 | 114.2 | K1965 F1966 L1967 | K1965-R1969 WeakPolarHBondContact O-CD 3.05Å; K1965-R1969 VanDerWaalsContact O-CG 3.23Å; K1965-R1969 WeakPolarHBondContact O-CG 3.48Å; K1965-R1969 PolarHBondContact O-N 3.28Å; F1966-R1969 WeakPolarHBondContact O-CB 3.42Å; F1966-R1969 PolarHBondContact O-N 3.23Å; L1967-R1969 VanDerWaalsContact C-N 3.26Å; L1967-R1969 PolarHBondContact O-N 3.1Å |
| 1970 | M | 51.4 | Low | 40.3 | Very low | 34 Ų | 34 | 97.1 Ų | 97.1 | 17% | 0.167 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -71 | -38.6 | 170.6 | -63.3 | -166.2 | -176.5 | 0 | 0 | 110.8 | A1838 I1841 L1842 L1923 F1966 L1967 | A1838-M1970 HydrophobicContact CB-CE 4.29Å; A1838-M1970 HydrophobicContact CB-SD 3.92Å; I1841-M1970 HydrophobicContact CG2-CE 4.13Å; L1842-M1970 HydrophobicContact CD1-CE 4.2Å; L1842-M1970 HydrophobicContact CG-CE 3.9Å; L1923-M1970 HydrophobicContact CD2-CB 4.24Å; L1923-M1970 HydrophobicContact CD2-CG 4.5Å; L1923-M1970 HydrophobicContact CD2-SD 3.44Å; L1923-M1970 WeakPolarHBondContact CD2-SD 3.44Å; F1966-M1970 HydrophobicContact CD1-CE 3.7Å; F1966-M1970 HydrophobicContact CE1-CE 3.57Å; F1966-M1970 PolarHBondContact O-N 2.6Å; F1966-M1970 VanDerWaalsContact O-N 3.1Å; L1967-M1970 HydrophobicContact CD2-SD 4.44Å; L1967-M1970 WeakPolarHBondContact O-CB 3.45Å; L1967-M1970 PolarHBondContact O-N 2.78Å |
| 1971 | N | 47.2 | Very low | 39.7 | Very low | 28 Ų | 28 | 95.9 Ų | 95.9 | 15% | 0.15 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -94.4 | -14.5 | -170.7 | -69 | 6.1 | 0 | 0 | 0 | 114.2 | L1923 G1952 L1967 Q1968 G1973 | L1923-N1971 PolarHBondContact O-ND2 3.35Å; L1923-N1971 PolarHBondContact O-OD1 2.81Å; G1952-N1971 PolarHBondContact O-ND2 2.88Å; L1967-N1971 PolarHBondContact O-N 3.38Å; L1967-N1971 VanDerWaalsContact O-N 3.16Å; Q1968-N1971 PolarHBondContact O-N 3.18Å; N1971-G1973 PolarHBondContact O-N 3.16Å |
| 1972 | S | 45.6 | Very low | 38.7 | Very low | 70 Ų | 70 | 100.9 Ų | 100.9 | 49% | 0.49 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -73.9 | 30.1 | -179.3 | 66.6 | 0 | 0 | 0 | 0 | 116 | Q1968 H1974 | Q1968-S1972 VanDerWaalsContact O-CB 3.29Å; Q1968-S1972 WeakPolarHBondContact O-CB 3.47Å; Q1968-S1972 PolarHBondContact O-N 3.07Å; Q1968-S1972 PolarHBondContact O-OG 2.88Å; S1972-H1974 PolarHBondContact O-N 2.9Å; S1972-H1974 VanDerWaalsContact O-N 3.15Å |
| 1973 | G | 39 | Very low | 37.5 | Very low | 59 Ų | 59 | 99.2 Ų | 99.2 | 61% | 0.608 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 77.4 | -3.6 | 157 | 0 | 0 | 0 | 0 | 0 | 118.7 | N1971 F1975 | N1971-G1973 PolarHBondContact O-N 3.16Å; G1973-F1975 PolarHBondContact O-N 2.95Å |
| 1974 | H | 29.3 | Very low | 36.5 | Very low | 168 Ų | 168 | 103.4 Ų | 103.4 | 78% | 0.778 | 55% | 0.554 | S | S | * | * | trans | -86.9 | 8.3 | -176.7 | -89.3 | -38.6 | 0 | 0 | 0 | 116.5 | S1972 N1976 | S1972-H1974 PolarHBondContact O-N 2.9Å; S1972-H1974 VanDerWaalsContact O-N 3.15Å; H1974-N1976 VanDerWaalsContact C-N 3.25Å; H1974-N1976 PolarHBondContact O-N 2.81Å; H1974-N1976 VanDerWaalsContact O-N 3.09Å | ||
| 1975 | F | 31.8 | Very low | 35.3 | Very low | 152 Ų | 152 | 109.3 Ų | 109.3 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | trans | -81.3 | 75.9 | 160.7 | -81.9 | -81.3 | 0 | 0 | 0 | 110 | G1973 L1977 | G1973-F1975 PolarHBondContact O-N 2.95Å; F1975-L1977 PolarHBondContact O-N 3.37Å | ||
| 1976 | N | 25.5 | Very low | 34 | Very low | 134 Ų | 134 | 113.3 Ų | 113.3 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | trans | -52.3 | 124.1 | 171.8 | -74.8 | -9 | 0 | 0 | 0 | 109.8 | H1974 S1978 | H1974-N1976 VanDerWaalsContact C-N 3.25Å; H1974-N1976 PolarHBondContact O-N 2.81Å; H1974-N1976 VanDerWaalsContact O-N 3.09Å; N1976-S1978 VanDerWaalsContact C-N 3.31Å; N1976-S1978 PolarHBondContact O-N 3.1Å | ||
| 1977 | L | 24.2 | Very low | 32.6 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 69% | 0.691 | 64% | 0.635 | S | S | * | * | trans | -67.8 | 94.4 | 165.2 | -77.7 | 81.8 | 0 | 0 | 0 | 108.2 | F1975 T1979 | F1975-L1977 PolarHBondContact O-N 3.37Å; L1977-T1979 PolarHBondContact O-N 2.98Å | ||
| 1978 | S | 21.5 | Very low | 31.1 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | trans | -73.3 | 72.8 | 161.8 | 59.2 | 0 | 0 | 0 | 0 | 108.7 | N1976 E1980 | N1976-S1978 VanDerWaalsContact C-N 3.31Å; N1976-S1978 PolarHBondContact O-N 3.1Å; S1978-E1980 PolarHBondContact O-N 2.93Å | ||
| 1979 | T | 24.2 | Very low | 29.8 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 69% | 0.693 | 68% | 0.68 | S | S | * | * | trans | -61.3 | 103.8 | 161.4 | 44 | 0 | 0 | 0 | 0 | 106.8 | L1977 S1981 | L1977-T1979 PolarHBondContact O-N 2.98Å; T1979-S1981 PolarHBondContact O-N 2.93Å; T1979-S1981 VanDerWaalsContact O-N 3.1Å | ||
| 1980 | E | 22.3 | Very low | 28.4 | Very low | 188 Ų | 188 | 124.3 Ų | 124.3 | 88% | 0.879 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 117.6 | 179.4 | -68 | -173.2 | 134.4 | 0 | 0 | 108.8 | S1978 V1982 | S1978-E1980 PolarHBondContact O-N 2.93Å; E1980-V1982 PolarHBondContact O-N 3.3Å |
| 1981 | S | 23.7 | Very low | 27 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -66 | 120.5 | 177.9 | 30.9 | 0 | 0 | 0 | 0 | 108.7 | T1979 N1983 | T1979-S1981 PolarHBondContact O-N 2.93Å; T1979-S1981 VanDerWaalsContact O-N 3.1Å; S1981-N1983 PolarHBondContact O-N 2.94Å |
| 1982 | V | 24.1 | Very low | 25.7 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 136.2 | 163.7 | 176.5 | 0 | 0 | 0 | 0 | 107.7 | E1980 | E1980-V1982 PolarHBondContact O-N 3.3Š|
| 1983 | N | 23.6 | Very low | 24.7 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -54 | 141.8 | -165.1 | -61.6 | -36.7 | 0 | 0 | 0 | 114.6 | S1981 | S1981-N1983 PolarHBondContact O-N 2.94Š|
| 1984 | D | 24 | Very low | 23.9 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 49.4 | 122.8 | 147.3 | -57.1 | -29.8 | 0 | 0 | 0 | 119.6 | ||
| 1985 | N | 24.3 | Very low | 23.5 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 71.6 | 127 | 174.6 | -30.6 | -78.5 | 0 | 0 | 0 | 112.6 | ||||
| 1986 | D | 22.9 | Very low | 23.1 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | cis | -133.1 | 178.6 | 39.2 | -83.1 | -40.6 | 0 | 0 | 0 | 115.8 | ||||
| 1987 | E | 22.4 | Very low | 23 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -91.8 | 127.7 | -167.1 | -65.4 | -173.1 | 127.4 | 0 | 0 | 116.2 | ||||
| 1988 | T | 23.3 | Very low | 22.9 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 69.2 | -168.2 | 147.5 | 70.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1989 | I | 22 | Very low | 22.9 | Very low | 124 Ų | 124 | 144 Ų | 144 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | 70.4 | 87.5 | -175.3 | -46.1 | 170.4 | 0 | 0 | 0 | 112.6 | F1991 | I1989-F1991 HydrophobicContact CG2-CD2 3.54Å; I1989-F1991 HydrophobicContact CG2-CE2 3.46Å; I1989-F1991 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 1990 | N | 23.4 | Very low | 22.8 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | cis | 66.1 | 79.2 | 32.2 | -131.2 | 19.7 | 0 | 0 | 0 | 113 | ||||
| 1991 | F | 22.3 | Very low | 22.9 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -124.5 | 108.7 | 166.4 | -96.9 | -72.4 | 0 | 0 | 0 | 112.2 | I1989 | I1989-F1991 HydrophobicContact CG2-CD2 3.54Å; I1989-F1991 HydrophobicContact CG2-CE2 3.46Å; I1989-F1991 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 1992 | M | 20.4 | Very low | 22.8 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | trans | -93.8 | 158.6 | 162.9 | -122.3 | 179.2 | 172.3 | 0 | 0 | 109.5 | ||||
| 1993 | D | 23.9 | Very low | 22.7 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | 36.8 | 94.6 | 149.5 | -69.3 | 9.1 | 0 | 0 | 0 | 120.8 | ||||
| 1994 | S | 23.1 | Very low | 22.7 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | -164.1 | 119.6 | 129 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1995 | K | 21.8 | Very low | 22.6 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | 79.5 | 126.6 | 56.7 | -78.4 | -175.7 | 175.3 | 167.6 | 0 | 115.3 | |||||
| 1996 | Q | 21.9 | Very low | 22.4 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 98.1 | 152.7 | 146.8 | -77.4 | 175.7 | -25.9 | 0 | 0 | 121.3 | ||||
| 1997 | T | 23.1 | Very low | 22.3 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 56.9 | 93.9 | 177.3 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1998 | V | 23 | Very low | 22.3 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | 62.5 | 85.8 | 55.1 | -168 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1999 | G | 21.2 | Very low | 22.2 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 141.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||
| 2000 | E | 22.6 | Very low | 22.1 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 143.7 | -175.3 | -67.5 | 179.7 | 125.1 | 0 | 0 | 111.7 | ||
| 2001 | P | 23.8 | Very low | 22 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 140.2 | -177.9 | 29.8 | -35 | 0 | 0 | 0 | 111.3 | T2003 | P2001-T2003 PolarHBondContact O-N 2.92Š|
| 2002 | V | 21 | Very low | 22 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118.8 | 166.1 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 2003 | T | 22.5 | Very low | 22 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65 | 145.4 | -165.9 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | P2001 K2005 | P2001-T2003 PolarHBondContact O-N 2.92Å; T2003-K2005 PolarHBondContact O-N 2.7Å |
| 2004 | D | 23.1 | Very low | 21.8 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -40.7 | 117.2 | 170.4 | -60.9 | -77.2 | 0 | 0 | 0 | 114.3 | ||||
| 2005 | K | 22.7 | Very low | 21.7 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -175 | 87.8 | 148 | -103.4 | 150.6 | -171.4 | 172 | 0 | 111.4 | T2003 | T2003-K2005 PolarHBondContact O-N 2.7Š| ||
| 2006 | Q | 20.9 | Very low | 21.7 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 161.7 | 34.5 | 142.3 | -87.8 | 173 | -0.1 | 0 | 0 | 113.9 | G2008 | Q2006-G2008 PolarHBondContact O-N 2.84Š| ||
| 2007 | L | 20.6 | Very low | 21.8 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 100% | 1.021 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -76.3 | 60.9 | 155.5 | -162.9 | 75.1 | 0 | 0 | 0 | 109.7 | ||
| 2008 | G | 21 | Very low | 21.9 | Very low | 49 Ų | 49 | 139.5 Ų | 139.5 | 51% | 0.505 | 79% | 0.788 | S | S | . | * | trans | -177.6 | 68.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q2006 | Q2006-G2008 PolarHBondContact O-N 2.84Š| ||
| 2009 | N | 21.2 | Very low | 22.1 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 169.8 | 60.1 | 159.9 | -87.3 | -10.4 | 0 | 0 | 0 | 109.3 | ||||
| 2010 | L | 20.3 | Very low | 22.4 | Very low | 185 Ų | 185 | 135 Ų | 135 | 97% | 0.969 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -112.6 | 37.7 | 147.2 | -133.3 | 158.1 | 0 | 0 | 0 | 109.6 | ||
| 2011 | I | 21.5 | Very low | 22.7 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | -105.1 | 155.3 | 149.5 | -60 | 174.6 | 0 | 0 | 0 | 104.7 | ||||
| 2012 | V | 21.7 | Very low | 22.8 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 62% | 0.618 | 71% | 0.708 | S | S | * | * | trans | 86.9 | 82.2 | 179.5 | -165.9 | 0 | 0 | 0 | 0 | 115.1 | K2014 | V2012-K2014 HydrophobicContact CG1-CB 4.2Å; V2012-K2014 HydrophobicContact CG1-CG 4.14Å; V2012-K2014 HydrophobicContact CG2-CG 4.44Å | ||
| 2013 | S | 21.1 | Very low | 23.3 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | -108.2 | 99.3 | 114.2 | 53.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 2014 | K | 19.7 | Very low | 23.7 | Very low | 178 Ų | 178 | 123.7 Ų | 123.7 | 77% | 0.774 | 66% | 0.662 | S | S | * | * | trans | -91.2 | 99.1 | -177.5 | -88.5 | -170.9 | 172.1 | -168.5 | 0 | 111.7 | V2012 | V2012-K2014 HydrophobicContact CG1-CB 4.2Å; V2012-K2014 HydrophobicContact CG1-CG 4.14Å; V2012-K2014 HydrophobicContact CG2-CG 4.44Å | ||
| 2015 | S | 21.9 | Very low | 24.4 | Very low | 110 Ų | 110 | 121 Ų | 121 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | 165.2 | 134.4 | 151.6 | 37 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 2016 | S | 21.9 | Very low | 24.9 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | cis | -146.9 | 154.6 | -9.7 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | E2018 | S2016-E2018 PolarHBondContact O-N 3.23Š| ||
| 2017 | N | 23.6 | Very low | 25.6 | Very low | 153 Ų | 153 | 108.7 Ų | 108.7 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | trans | -48.4 | 116.6 | -165.6 | -50.3 | 11.5 | 0 | 0 | 0 | 114.8 | ||||
| 2018 | E | 25.4 | Very low | 26.3 | Very low | 153 Ų | 153 | 103.2 Ų | 103.2 | 72% | 0.715 | 58% | 0.577 | S | S | * | * | trans | -141.3 | 100.7 | 151.3 | -71.4 | -139.6 | 142.2 | 0 | 0 | 108.1 | S2016 K2207 | S2016-E2018 PolarHBondContact O-N 3.23Å; E2018-K2207 IonicContact OE1-NZ 2.59Å; E2018-K2207 PolarHBondContact OE1-NZ 3.49Å; E2018-K2207 IonicContact OE2-NZ 3.86Å; E2018-K2207 PolarHBondContact OE2-NZ 2.9Å | ||
| 2019 | D | 26.7 | Very low | 26.9 | Very low | 62 Ų | 62 | 101.4 Ų | 101.4 | 33% | 0.332 | 56% | 0.556 | S | S | . | * | trans | -102.7 | 95.1 | -174.8 | -77.7 | -80.5 | 0 | 0 | 0 | 111.7 | R2124 | D2019-R2124 WeakPolarHBondContact OD1-CD 3.29Å; D2019-R2124 IonicContact OD1-CZ 3.65Å; D2019-R2124 IonicContact OD1-NE 2.97Å; D2019-R2124 IonicContact OD1-NH1 3.99Å; D2019-R2124 PolarHBondContact OD1-NH1 3.47Å | ||
| 2020 | N | 26.7 | Very low | 27.2 | Very low | 50 Ų | 50 | 98.8 Ų | 98.8 | 27% | 0.267 | 55% | 0.549 | S | S | . | . | trans | -166.9 | 147.2 | 159.6 | -94.2 | -64.3 | 0 | 0 | 0 | 109.3 | W2121 L2122 M2204 | N2020-W2121 HydrophobicContact CB-CE3 4.24Å; N2020-W2121 HydrophobicContact CB-CZ3 4.29Å; N2020-L2122 PolarHBondContact OD1-O 3.12Å; N2020-M2204 VanDerWaalsContact ND2-CE 3.34Å; N2020-M2204 WeakPolarHBondContact ND2-CE 3.38Å; N2020-M2204 PolarHBondContact ND2-SD 3.42Å; N2020-M2204 VanDerWaalsContact ND2-SD 3.4Å; N2020-M2204 WeakPolarHBondContact OD1-CE 3.49Å | ||
| 2021 | I | 29 | Very low | 27.8 | Very low | 82 Ų | 82 | 97.3 Ų | 97.3 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.2 | -174 | -68.8 | 176.3 | 0 | 0 | 0 | 112.7 | L2122 | I2021-L2122 PolarHBondContact O-N 2.67Å |
| 2022 | F | 27.3 | Very low | 28.5 | Very low | 97 Ų | 97 | 92.1 Ų | 92.1 | 43% | 0.425 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 147.6 | 179.2 | -179.1 | -111.1 | 0 | 0 | 0 | 112.3 | Q2024 M2119 | F2022-Q2024 HydrophobicContact CD1-CG 4.48Å; F2022-Q2024 HydrophobicContact CE1-CG 3.65Å; F2022-Q2024 HydrophobicContact CZ-CG 3.72Å; F2022-M2119 HydrophobicContact CD2-CG 4.4Å; F2022-M2119 HydrophobicContact CE2-CG 4.24Å |
| 2023 | I | 30 | Very low | 29.2 | Very low | 13 Ų | 13 | 92.2 Ų | 92.2 | 7% | 0.067 | 52% | 0.515 | C | S | . | . | trans | -141.8 | 127 | -175 | -64.8 | 179.2 | 0 | 0 | 0 | 110.6 | V2027 I2036 L2122 | I2023-V2027 HydrophobicContact CB-CG2 4.33Å; I2023-V2027 HydrophobicContact CD1-CB 4.44Å; I2023-V2027 HydrophobicContact CG1-CB 4.11Å; I2023-V2027 HydrophobicContact CG1-CG1 4.23Å; I2023-V2027 HydrophobicContact CG1-CG2 4.31Å; I2023-V2027 HydrophobicContact CG2-CB 3.93Å; I2023-V2027 HydrophobicContact CG2-CG2 3.86Å; I2023-I2036 HydrophobicContact CD1-CD1 4.31Å; I2023-L2122 HydrophobicContact CD1-CB 4.45Å | ||
| 2024 | Q | 32 | Very low | 30.1 | Very low | 133 Ų | 133 | 87.2 Ų | 87.2 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | trans | -126.3 | -39.8 | 177.6 | -84.8 | -170.5 | -15.5 | 0 | 0 | 116.7 | F2022 | F2022-Q2024 HydrophobicContact CD1-CG 4.48Å; F2022-Q2024 HydrophobicContact CE1-CG 3.65Å; F2022-Q2024 HydrophobicContact CZ-CG 3.72Å | ||
| 2025 | S | 36.3 | Very low | 31.4 | Very low | 99 Ų | 99 | 79.2 Ų | 79.2 | 69% | 0.692 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -136.8 | 36.1 | -154.3 | 51.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 2026 | I | 35 | Very low | 32.5 | Very low | 71 Ų | 71 | 74.3 Ų | 74.3 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 79.9 | 95.9 | -169.8 | -47.8 | 169.7 | 0 | 0 | 0 | 111.9 | L1944 L2035 I2036 | L1944-I2026 HydrophobicContact CD2-CD1 4.29Å; I2026-L2035 HydrophobicContact CG2-CD2 3.68Å; I2026-L2035 HydrophobicContact CG2-CG 4.46Å; I2026-I2036 VanDerWaalsContact CA-O 3.29Å; I2026-I2036 WeakPolarHBondContact CA-O 3.19Å |
| 2027 | V | 35.8 | Very low | 33.7 | Very low | 44 Ų | 44 | 69.3 Ų | 69.3 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.7 | -176 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | I2023 I2036 | I2023-V2027 HydrophobicContact CB-CG2 4.33Å; I2023-V2027 HydrophobicContact CD1-CB 4.44Å; I2023-V2027 HydrophobicContact CG1-CB 4.11Å; I2023-V2027 HydrophobicContact CG1-CG1 4.23Å; I2023-V2027 HydrophobicContact CG1-CG2 4.31Å; I2023-V2027 HydrophobicContact CG2-CB 3.93Å; I2023-V2027 HydrophobicContact CG2-CG2 3.86Å; V2027-I2036 PolarHBondContact N-O 3.04Å; V2027-I2036 PolarHBondContact O-N 3.04Å |
| 2028 | L | 34.4 | Very low | 34.6 | Very low | 80 Ų | 80 | 67.5 Ų | 67.5 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 97.4 | 169.3 | -76.3 | 166.9 | 0 | 0 | 0 | 109.7 | L2034 L2035 I2081 | L2028-L2034 CarbonylContact C-O 3.59Å; L2028-L2034 VanDerWaalsContact CA-O 3.3Å; L2028-L2034 WeakPolarHBondContact CA-O 3.46Å; L2028-L2035 HydrophobicContact CD2-CB 3.92Å; L2028-L2035 HydrophobicContact CD2-CD1 4.08Å; L2028-L2035 HydrophobicContact CD2-CG 3.97Å; L2028-I2081 HydrophobicContact CD2-CD1 3.36Å |
| 2029 | A | 33.2 | Very low | 35.2 | Very low | 10 Ų | 10 | 64.8 Ų | 64.8 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 155 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K2033 L2034 L2122 | A2029-K2033 PolarHBondContact O-N 3.07Å; A2029-L2034 HydrophobicContact CB-CB 4.36Å; A2029-L2034 PolarHBondContact N-O 2.68Å; A2029-L2034 PolarHBondContact O-N 2.84Å; A2029-L2122 HydrophobicContact CB-CD2 4.15Å |
| 2030 | S | 27 | Very low | 35.7 | Very low | 78 Ų | 78 | 70.3 Ų | 70.3 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.6 | 99.2 | 178.1 | 59.2 | 0 | 0 | 0 | 0 | 115.6 | G2032 K2033 | S2030-G2032 PolarHBondContact O-N 3.11Å; S2030-K2033 VanDerWaalsContact O-CB 3.32Å; S2030-K2033 WeakPolarHBondContact O-CB 3.4Å; S2030-K2033 PolarHBondContact O-N 3.09Å |
| 2031 | D | 33.6 | Very low | 35.9 | Very low | 154 Ų | 154 | 72.2 Ų | 72.2 | 82% | 0.824 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 20.9 | 177.9 | -63.4 | -8.9 | 0 | 0 | 0 | 115.7 | K2033 | D2031-K2033 VanDerWaalsContact C-N 3.25Å; D2031-K2033 HydrophobicContact CB-CD 4.47Å; D2031-K2033 HydrophobicContact CB-CG 4.3Å; D2031-K2033 PolarHBondContact O-N 2.85Å |
| 2032 | G | 36.4 | Very low | 36.2 | Very low | 32 Ų | 32 | 73.9 Ų | 73.9 | 33% | 0.33 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 18.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S2030 I2081 | S2030-G2032 PolarHBondContact O-N 3.11Å; G2032-I2081 WeakPolarHBondContact O-CD1 3.28Å |
| 2033 | K | 35.7 | Very low | 36.2 | Very low | 103 Ų | 103 | 74.9 Ų | 74.9 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -14.3 | -177 | -65.8 | -176.9 | -178.8 | 171.7 | 0 | 114.9 | A2029 S2030 D2031 E2080 I2081 | A2029-K2033 PolarHBondContact O-N 3.07Å; S2030-K2033 VanDerWaalsContact O-CB 3.32Å; S2030-K2033 WeakPolarHBondContact O-CB 3.4Å; S2030-K2033 PolarHBondContact O-N 3.09Å; D2031-K2033 VanDerWaalsContact C-N 3.25Å; D2031-K2033 HydrophobicContact CB-CD 4.47Å; D2031-K2033 HydrophobicContact CB-CG 4.3Å; D2031-K2033 PolarHBondContact O-N 2.85Å; K2033-E2080 CarbonylContact O-C 3.54Å; K2033-E2080 VanDerWaalsContact O-CA 3.31Å; K2033-E2080 WeakPolarHBondContact O-CA 3.41Å; K2033-I2081 PolarHBondContact O-N 2.93Å |
| 2034 | L | 40.2 | Very low | 36 | Very low | 19 Ų | 19 | 83 Ų | 83 | 10% | 0.099 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 121.9 | -179.3 | -168.9 | 73.1 | 0 | 0 | 0 | 110.9 | L2028 A2029 I2036 Y2079 V2108 L2143 | L2028-L2034 CarbonylContact C-O 3.59Å; L2028-L2034 VanDerWaalsContact CA-O 3.3Å; L2028-L2034 WeakPolarHBondContact CA-O 3.46Å; A2029-L2034 HydrophobicContact CB-CB 4.36Å; A2029-L2034 PolarHBondContact N-O 2.68Å; A2029-L2034 PolarHBondContact O-N 2.84Å; L2034-I2036 HydrophobicContact CD2-CD1 3.9Å; L2034-I2036 HydrophobicContact CD2-CG1 4.16Å; L2034-I2036 HydrophobicContact CG-CD1 4.41Å; L2034-I2036 HydrophobicContact CG-CG1 4.11Å; L2034-Y2079 CarbonylContact C-O 3.48Å; L2034-Y2079 WeakPolarHBondContact CA-O 3.49Å; L2034-V2108 HydrophobicContact CD1-CG2 3.98Å; L2034-L2143 HydrophobicContact CD2-CD1 4.05Å |
| 2035 | L | 46.6 | Very low | 35.6 | Very low | 10 Ų | 10 | 86.3 Ų | 86.3 | 5% | 0.052 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 107.2 | -177.1 | -165.1 | 167.4 | 0 | 0 | 0 | 109.1 | I1940 L1944 I2026 L2028 Y2079 I2081 L2105 | I1940-L2035 HydrophobicContact CD1-CD1 4.23Å; L1944-L2035 HydrophobicContact CD2-CD2 4.16Å; I2026-L2035 HydrophobicContact CG2-CD2 3.68Å; I2026-L2035 HydrophobicContact CG2-CG 4.46Å; L2028-L2035 HydrophobicContact CD2-CB 3.92Å; L2028-L2035 HydrophobicContact CD2-CD1 4.08Å; L2028-L2035 HydrophobicContact CD2-CG 3.97Å; L2035-Y2079 PolarHBondContact N-O 2.77Å; L2035-Y2079 PolarHBondContact O-N 2.83Å; L2035-I2081 HydrophobicContact CB-CD1 4.07Å; L2035-I2081 HydrophobicContact CD1-CD1 4.22Å; L2035-L2105 HydrophobicContact CB-CD2 4.49Å; L2035-L2105 HydrophobicContact CD1-CD2 4.34Å |
| 2036 | I | 45.8 | Very low | 35.1 | Very low | 7 Ų | 7 | 88 Ų | 88 | 4% | 0.036 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.1 | -176.5 | -52.1 | 179.4 | 0 | 0 | 0 | 109.7 | I2023 I2026 V2027 L2034 L2076 V2077 A2078 L2122 | I2023-I2036 HydrophobicContact CD1-CD1 4.31Å; I2026-I2036 VanDerWaalsContact CA-O 3.29Å; I2026-I2036 WeakPolarHBondContact CA-O 3.19Å; V2027-I2036 PolarHBondContact N-O 3.04Å; V2027-I2036 PolarHBondContact O-N 3.04Å; L2034-I2036 HydrophobicContact CD2-CD1 3.9Å; L2034-I2036 HydrophobicContact CD2-CG1 4.16Å; L2034-I2036 HydrophobicContact CG-CD1 4.41Å; L2034-I2036 HydrophobicContact CG-CG1 4.11Å; I2036-L2076 HydrophobicContact CG2-CD2 3.7Å; I2036-L2076 HydrophobicContact CG2-CG 4.34Å; I2036-V2077 CarbonylContact C-O 3.53Å; I2036-V2077 WeakPolarHBondContact CA-O 3.47Å; I2036-A2078 HydrophobicContact CG1-CB 3.98Å; I2036-L2122 HydrophobicContact CD1-CD1 4.16Å |
| 2037 | G | 46.9 | Very low | 34.4 | Very low | 6 Ų | 6 | 92.2 Ų | 92.2 | 6% | 0.062 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 166.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | V2077 | G2037-V2077 PolarHBondContact N-O 2.84Å; G2037-V2077 PolarHBondContact O-N 3.45Å |
| 2038 | K | 41.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 95.9 Ų | 95.9 | 50% | 0.496 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.6 | 175.8 | -69.4 | 171.6 | 171.9 | 176 | 0 | 110.5 | C2075 E2116 | K2038-C2075 WeakPolarHBondContact CA-O 3.4Å; K2038-E2116 WeakPolarHBondContact CE-OE1 3.38Å; K2038-E2116 IonicContact NZ-OE1 3.99Å; K2038-E2116 PolarHBondContact NZ-OE1 3.3Å |
| 2039 | R | 38.3 | Very low | 33.3 | Very low | 97 Ų | 97 | 99.2 Ų | 99.2 | 37% | 0.366 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.1 | -179.1 | -171.8 | 176.8 | 175.1 | -172.5 | -5.3 | 111.6 | H2041 C2075 V2077 E2110 | R2039-H2041 PolarHBondContact NE-NE2 3.42Å; R2039-H2041 PolarHBondContact NH2-NE2 2.98Å; R2039-H2041 PolarHBondContact O-N 3.24Å; R2039-C2075 PolarHBondContact N-O 3.22Å; R2039-V2077 HydrophobicContact CB-CG2 3.84Å; R2039-E2110 IonicContact CZ-OE1 2.74Å; R2039-E2110 IonicContact NH1-OE1 2.86Å; R2039-E2110 PolarHBondContact NH1-OE1 3.36Å; R2039-E2110 IonicContact NH1-OE2 3.01Å |
| 2040 | H | 38.4 | Very low | 32.9 | Very low | 178 Ų | 178 | 105.7 Ų | 105.7 | 82% | 0.824 | 53% | 0.526 | S | S | * | . | trans | -77.5 | 107.5 | 173.2 | -73.3 | -85.1 | 0 | 0 | 0 | 111.1 | P2042 | H2040-P2042 WeakPolarHBondContact O-CD 3.09Š| ||
| 2041 | H | 29.5 | Very low | 32.9 | Very low | 90 Ų | 90 | 106.3 Ų | 106.3 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | trans | -94.9 | 113.1 | 166.7 | -98.8 | -90.2 | 0 | 0 | 0 | 110.7 | R2039 E2043 | R2039-H2041 PolarHBondContact NE-NE2 3.42Å; R2039-H2041 PolarHBondContact NH2-NE2 2.98Å; R2039-H2041 PolarHBondContact O-N 3.24Å; H2041-E2043 IonicContact ND1-OE1 3.66Å; H2041-E2043 PolarHBondContact O-N 3.1Å | ||
| 2042 | P | 36.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 107.4 Ų | 107.4 | 75% | 0.753 | 54% | 0.536 | S | S | * | . | trans | -82 | 22.4 | 168.3 | 36.1 | -35.7 | 0 | 0 | 0 | 112 | H2040 | H2040-P2042 WeakPolarHBondContact O-CD 3.09Š| ||
| 2043 | E | 27.4 | Very low | 31.8 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | trans | -111.9 | 83.5 | -168.4 | -71.4 | -169.5 | -121.2 | 0 | 0 | 112.5 | H2041 | H2041-E2043 IonicContact ND1-OE1 3.66Å; H2041-E2043 PolarHBondContact O-N 3.1Å | ||
| 2044 | Q | 25.9 | Very low | 31.1 | Very low | 182 Ų | 182 | 113.8 Ų | 113.8 | 85% | 0.85 | 57% | 0.571 | S | S | * | * | trans | -104.6 | 115.3 | 136.5 | -76.1 | -167.8 | -9 | 0 | 0 | 107.7 | I2046 | Q2044-I2046 VanDerWaalsContact C-N 3.3Å; Q2044-I2046 PolarHBondContact O-N 2.99Å | ||
| 2045 | R | 23.7 | Very low | 30.3 | Very low | 204 Ų | 204 | 117.7 Ų | 117.7 | 77% | 0.77 | 60% | 0.599 | S | S | * | * | trans | -71.3 | 89.4 | 172.5 | -70.5 | -175.6 | -175.9 | 177 | 2.4 | 108.7 | H2047 | R2045-H2047 PolarHBondContact O-N 2.9Š| ||
| 2046 | I | 23.9 | Very low | 29.1 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | trans | -61.2 | 108.9 | 168.8 | -49.7 | 179.4 | 0 | 0 | 0 | 106.8 | Q2044 L2048 | Q2044-I2046 VanDerWaalsContact C-N 3.3Å; Q2044-I2046 PolarHBondContact O-N 2.99Å; I2046-L2048 HydrophobicContact CB-CG 4.4Å; I2046-L2048 HydrophobicContact CG2-CD2 3.84Å; I2046-L2048 HydrophobicContact CG2-CG 3.81Å; I2046-L2048 PolarHBondContact O-N 3.43Å | ||
| 2047 | H | 20.7 | Very low | 27.9 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 75% | 0.745 | 67% | 0.67 | S | S | * | * | trans | -72.5 | 74.9 | 174.6 | -98.7 | -92.2 | 0 | 0 | 0 | 109.5 | R2045 D2049 | R2045-H2047 PolarHBondContact O-N 2.9Å; H2047-D2049 PolarHBondContact O-N 2.91Å; H2047-D2049 VanDerWaalsContact O-N 3.12Å | ||
| 2048 | L | 25 | Very low | 26.8 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 63% | 0.634 | 70% | 0.703 | S | S | * | * | trans | -74.4 | 92.1 | 166.4 | -64.6 | 177.5 | 0 | 0 | 0 | 107.8 | I2046 L2050 | I2046-L2048 HydrophobicContact CB-CG 4.4Å; I2046-L2048 HydrophobicContact CG2-CD2 3.84Å; I2046-L2048 HydrophobicContact CG2-CG 3.81Å; I2046-L2048 PolarHBondContact O-N 3.43Å; L2048-L2050 HydrophobicContact CB-CD1 4.06Å; L2048-L2050 HydrophobicContact CB-CG 4.14Å; L2048-L2050 HydrophobicContact CD1-CD1 4.41Å; L2048-L2050 PolarHBondContact O-N 3.31Å | ||
| 2049 | D | 23.1 | Very low | 25.9 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -67.7 | 70.4 | 169.5 | -86.6 | -12.4 | 0 | 0 | 0 | 110.2 | H2047 A2051 | H2047-D2049 PolarHBondContact O-N 2.91Å; H2047-D2049 VanDerWaalsContact O-N 3.12Å; D2049-A2051 PolarHBondContact O-N 2.97Å | ||
| 2050 | L | 25.4 | Very low | 25.2 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -98.3 | 69.8 | 175.4 | -68.6 | 174.8 | 0 | 0 | 0 | 109.2 | L2048 E2052 | L2048-L2050 HydrophobicContact CB-CD1 4.06Å; L2048-L2050 HydrophobicContact CB-CG 4.14Å; L2048-L2050 HydrophobicContact CD1-CD1 4.41Å; L2048-L2050 PolarHBondContact O-N 3.31Å; L2050-E2052 PolarHBondContact O-N 3.13Å | ||
| 2051 | A | 25.6 | Very low | 24.6 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -67.4 | 118 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | D2049 | D2049-A2051 PolarHBondContact O-N 2.97Š| ||
| 2052 | E | 23.5 | Very low | 24.4 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 61.8 | 123.8 | 153.7 | -65.3 | -176.7 | 162 | 0 | 0 | 120.6 | L2050 | L2050-E2052 PolarHBondContact O-N 3.13Š|
| 2053 | E | 23.9 | Very low | 23.8 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 64.7 | 88.2 | 138.1 | -61 | -162.3 | 160.8 | 0 | 0 | 122 | ||||
| 2054 | S | 21.5 | Very low | 23.7 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | 67.3 | 165.4 | 109.1 | 86.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 2055 | S | 22.3 | Very low | 23.5 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 69.6 | 91.3 | 168.7 | 69 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2056 | S | 21.6 | Very low | 23.6 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | 57.9 | 133 | 126.5 | 61.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 2057 | E | 21.2 | Very low | 23.5 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | 108 | 114.9 | 151.4 | -53.3 | -152.5 | 151.1 | 0 | 0 | 119.3 | ||||
| 2058 | S | 23.9 | Very low | 23.7 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 68.2 | 99.4 | 151.9 | 53.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2059 | Y | 22.2 | Very low | 23.6 | Very low | 219 Ų | 219 | 139.1 Ų | 139.1 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -13.7 | 133.6 | 135.9 | -53.1 | -86.3 | 0 | 0 | 0 | 118.2 | ||||
| 2060 | D | 24.9 | Very low | 23.7 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 66% | 0.658 | 78% | 0.779 | S | S | * | * | 163.3 | 68.4 | 119.1 | -110 | 24.4 | 0 | 0 | 0 | 111.9 | R1046 | R1046-D2060 IonicContact CZ-OD2 2.69Å; R1046-D2060 IonicContact NH2-OD2 2.87Å; R1046-D2060 PolarHBondContact NH2-OD2 3.1Å | |||
| 2061 | S | 24.2 | Very low | 23.8 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -166.2 | 64.8 | 155.5 | 65.5 | 0 | 0 | 0 | 0 | 114.8 | D2063 | S2061-D2063 PolarHBondContact O-N 3.01Š| ||
| 2062 | D | 25.4 | Very low | 24 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -74.8 | 109.6 | 165.4 | -50.8 | -46.5 | 0 | 0 | 0 | 109.3 | ||||
| 2063 | D | 24.4 | Very low | 24.2 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | -156.2 | 34.4 | 172.2 | -111.7 | -26.9 | 0 | 0 | 0 | 110.6 | S2061 | S2061-D2063 PolarHBondContact O-N 3.01Š| ||
| 2064 | S | 24.6 | Very low | 25.2 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -152.1 | 36.3 | 178.9 | 71.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2065 | E | 23.5 | Very low | 25.9 | Very low | 196 Ų | 196 | 124.7 Ų | 124.7 | 92% | 0.916 | 72% | 0.722 | S | S | * | * | trans | -108 | 72.1 | 165.6 | -73.5 | -163.2 | 158.7 | 0 | 0 | 110.6 | ||||
| 2066 | T | 24.2 | Very low | 27.1 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | -136.1 | 66 | 170.9 | 59 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2067 | D | 22.4 | Very low | 28.2 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | trans | -137.1 | 99 | 163.7 | -96.7 | -44.3 | 0 | 0 | 0 | 112.9 | G2069 | D2067-G2069 PolarHBondContact O-N 3.17Š| ||
| 2068 | Y | 24.2 | Very low | 29.5 | Very low | 164 Ų | 164 | 107.8 Ų | 107.8 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | trans | 17.2 | 88.8 | 145 | -58.8 | -81.3 | 0 | 0 | 0 | 119.4 | S966 A2070 | S966-Y2068 WeakPolarHBondContact CB-OH 3.44Å; Y2068-A2070 PolarHBondContact O-N 3.19Å; Y2068-A2070 VanDerWaalsContact O-N 3.08Å | ||
| 2069 | G | 23.6 | Very low | 30.6 | Very low | 87 Ų | 87 | 104.9 Ų | 104.9 | 90% | 0.897 | 59% | 0.594 | S | S | * | * | trans | -72.5 | 87.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D2067 | D2067-G2069 PolarHBondContact O-N 3.17Š| ||
| 2070 | A | 24.5 | Very low | 31.6 | Very low | 89 Ų | 89 | 98 Ų | 98 | 74% | 0.736 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 153.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y2068 | Y2068-A2070 PolarHBondContact O-N 3.19Å; Y2068-A2070 VanDerWaalsContact O-N 3.08Å |
| 2071 | S | 29.2 | Very low | 32.4 | Very low | 112 Ų | 112 | 92.9 Ų | 92.9 | 78% | 0.783 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 139.6 | 178.6 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 2072 | P | 28.7 | Very low | 33.2 | Very low | 108 Ų | 108 | 89 Ų | 89 | 70% | 0.701 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 136.1 | -177.2 | 27.3 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 2073 | A | 28.8 | Very low | 33.9 | Very low | 60 Ų | 60 | 84.9 Ų | 84.9 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 150 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M2112 | A2073-M2112 HydrophobicContact CB-CE 3.76Š|
| 2074 | R | 43.3 | Very low | 34.2 | Very low | 142 Ų | 142 | 79.2 Ų | 79.2 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.9 | -164.8 | -59.9 | -178.3 | -178.8 | -178.8 | 3.4 | 111.7 | M2112 F2113 E2116 | R2074-M2112 WeakPolarHBondContact O-CA 3.48Å; R2074-F2113 PolarHBondContact N-O 2.91Å; R2074-F2113 PolarHBondContact O-N 2.8Å; R2074-E2116 IonicContact CZ-OE2 3.58Å; R2074-E2116 IonicContact NH1-OE1 2.83Å; R2074-E2116 PolarHBondContact NH1-OE1 2.69Å; R2074-E2116 IonicContact NH1-OE2 3.68Å; R2074-E2116 PolarHBondContact NH1-OE2 2.89Å |
| 2075 | C | 37.3 | Very low | 34.3 | Very low | 19 Ų | 19 | 82.3 Ų | 82.3 | 13% | 0.128 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.1 | -177.1 | -167 | 0 | 0 | 0 | 0 | 112.1 | K2038 R2039 Y2111 M2112 | K2038-C2075 WeakPolarHBondContact CA-O 3.4Å; R2039-C2075 PolarHBondContact N-O 3.22Å; C2075-Y2111 WeakPolarHBondContact CA-O 3.33Å; C2075-M2112 HydrophobicContact CB-CG 4.02Å |
| 2076 | L | 47.8 | Very low | 34.4 | Very low | 25 Ų | 25 | 77 Ų | 77 | 13% | 0.131 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.8 | 172.8 | -171.6 | 155.4 | 0 | 0 | 0 | 108.2 | I2036 Y2111 F2113 L2120 | I2036-L2076 HydrophobicContact CG2-CD2 3.7Å; I2036-L2076 HydrophobicContact CG2-CG 4.34Å; L2076-Y2111 PolarHBondContact N-O 3.19Å; L2076-Y2111 PolarHBondContact O-N 3.37Å; L2076-F2113 HydrophobicContact CB-CD2 4.36Å; L2076-F2113 HydrophobicContact CB-CE2 3.95Å; L2076-F2113 HydrophobicContact CD1-CE2 4Å; L2076-L2120 HydrophobicContact CD1-CD1 4.09Å |
| 2077 | V | 44.3 | Very low | 34.3 | Very low | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.018 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.3 | -171.8 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | I2036 G2037 R2039 Y2079 T2109 E2110 | I2036-V2077 CarbonylContact C-O 3.53Å; I2036-V2077 WeakPolarHBondContact CA-O 3.47Å; G2037-V2077 PolarHBondContact N-O 2.84Å; G2037-V2077 PolarHBondContact O-N 3.45Å; R2039-V2077 HydrophobicContact CB-CG2 3.84Å; V2077-Y2079 HydrophobicContact CB-CE2 4.39Å; V2077-Y2079 HydrophobicContact CG1-CD2 3.94Å; V2077-Y2079 HydrophobicContact CG1-CE1 4.42Å; V2077-Y2079 HydrophobicContact CG1-CE2 3.34Å; V2077-T2109 WeakPolarHBondContact CA-O 3.34Å; V2077-E2110 HydrophobicContact CB-CG 4.31Å; V2077-E2110 HydrophobicContact CG1-CG 3.87Å; V2077-E2110 HydrophobicContact CG2-CB 4.32Å; V2077-E2110 HydrophobicContact CG2-CG 3.83Å; V2077-E2110 WeakPolarHBondContact CG2-OE1 3.39Å |
| 2078 | A | 48.2 | Very low | 34.5 | Very low | 2 Ų | 2 | 80.9 Ų | 80.9 | 2% | 0.017 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2036 V2108 T2109 | I2036-A2078 HydrophobicContact CG1-CB 3.98Å; A2078-V2108 HydrophobicContact CB-CB 4.32Å; A2078-V2108 PolarHBondContact O-N 3.39Å; A2078-T2109 PolarHBondContact N-O 3.12Å; A2078-T2109 PolarHBondContact O-N 3.11Å |
| 2079 | Y | 47.3 | Very low | 34.4 | Very low | 47 Ų | 47 | 77.8 Ų | 77.8 | 18% | 0.184 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.8 | 175.7 | -66.6 | -80.8 | 0 | 0 | 0 | 111.9 | L1944 L2034 L2035 V2077 L2105 N2106 | L1944-Y2079 HydrophobicContact CD1-CD2 4.46Å; L1944-Y2079 HydrophobicContact CD1-CE2 4.01Å; L2034-Y2079 CarbonylContact C-O 3.48Å; L2034-Y2079 WeakPolarHBondContact CA-O 3.49Å; L2035-Y2079 PolarHBondContact N-O 2.77Å; L2035-Y2079 PolarHBondContact O-N 2.83Å; V2077-Y2079 HydrophobicContact CB-CE2 4.39Å; V2077-Y2079 HydrophobicContact CG1-CD2 3.94Å; V2077-Y2079 HydrophobicContact CG1-CE1 4.42Å; V2077-Y2079 HydrophobicContact CG1-CE2 3.34Å; Y2079-L2105 HydrophobicContact CG-CD2 4.42Å; Y2079-N2106 CarbonylContact C-O 3.49Å; Y2079-N2106 WeakPolarHBondContact CA-O 3.31Å |
| 2080 | E | 43.7 | Very low | 34.4 | Very low | 73 Ų | 73 | 78.6 Ų | 78.6 | 34% | 0.341 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 134.4 | 168.8 | -171.5 | -176.4 | -149.3 | 0 | 0 | 110.7 | K2033 L2105 N2106 V2108 | K2033-E2080 CarbonylContact O-C 3.54Å; K2033-E2080 VanDerWaalsContact O-CA 3.31Å; K2033-E2080 WeakPolarHBondContact O-CA 3.41Å; E2080-L2105 CarbonylContact O-C 3.51Å; E2080-L2105 WeakPolarHBondContact O-CA 3.26Å; E2080-N2106 PolarHBondContact N-O 3Å; E2080-N2106 PolarHBondContact O-N 2.99Å; E2080-V2108 HydrophobicContact CB-CG2 3.73Å |
| 2081 | I | 41.5 | Very low | 34.3 | Very low | 16 Ų | 16 | 79.4 Ų | 79.4 | 8% | 0.082 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 96.3 | 176.2 | -69.8 | 171.4 | 0 | 0 | 0 | 107.9 | L2028 G2032 K2033 L2035 I2103 Q2104 L2105 | L2028-I2081 HydrophobicContact CD2-CD1 3.36Å; G2032-I2081 WeakPolarHBondContact O-CD1 3.28Å; K2033-I2081 PolarHBondContact O-N 2.93Å; L2035-I2081 HydrophobicContact CB-CD1 4.07Å; L2035-I2081 HydrophobicContact CD1-CD1 4.22Å; I2081-I2103 HydrophobicContact CG2-CG2 3.76Å; I2081-Q2104 CarbonylContact C-O 3.54Å; I2081-Q2104 VanDerWaalsContact CA-O 3.32Å; I2081-Q2104 WeakPolarHBondContact CA-O 3.48Å; I2081-L2105 HydrophobicContact CD1-CD2 4.26Å; I2081-L2105 HydrophobicContact CG1-CD2 3.47Å; I2081-L2105 VanDerWaalsContact CG1-CD2 3.47Å; I2081-L2105 HydrophobicContact CG1-CG 4.41Å |
| 2082 | S | 41.3 | Very low | 33.9 | Very low | 32 Ų | 32 | 82.2 Ų | 82.2 | 22% | 0.224 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 114.4 | 172.9 | 46 | 0 | 0 | 0 | 0 | 109.9 | Q2104 N2106 | S2082-Q2104 PolarHBondContact N-O 2.64Å; S2082-Q2104 PolarHBondContact O-N 2.63Å; S2082-N2106 PolarHBondContact OG-ND2 2.86Å |
| 2083 | T | 38.3 | Very low | 33.6 | Very low | 74 Ų | 74 | 81.3 Ų | 81.3 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 111.3 | 166.7 | 53.6 | 0 | 0 | 0 | 0 | 108.7 | Q2085 G2102 I2103 | T2083-Q2085 PolarHBondContact O-N 3.22Å; T2083-G2102 WeakPolarHBondContact CA-O 3.48Å; T2083-I2103 HydrophobicContact CG2-CG1 4.49Å |
| 2084 | A | 31.5 | Very low | 33.3 | Very low | 50 Ų | 50 | 83.3 Ų | 83.3 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | trans | -70.7 | 91.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110 | T2086 G2102 | A2084-T2086 VanDerWaalsContact C-N 3.26Å; A2084-T2086 PolarHBondContact O-N 2.79Å; A2084-G2102 PolarHBondContact N-O 3.27Å | ||
| 2085 | Q | 26.4 | Very low | 32.3 | Very low | 175 Ų | 175 | 85 Ų | 85 | 82% | 0.818 | 49% | 0.487 | S | S | * | . | trans | -67 | 92.3 | 162.9 | -69.9 | -167.5 | 11.9 | 0 | 0 | 107.5 | T2083 E2087 | T2083-Q2085 PolarHBondContact O-N 3.22Å; Q2085-E2087 PolarHBondContact O-N 2.8Å | ||
| 2086 | T | 25.6 | Very low | 31.7 | Very low | 86 Ų | 86 | 89.5 Ų | 89.5 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | trans | -61.5 | 110.5 | 168.9 | 51.6 | 0 | 0 | 0 | 0 | 107.8 | A2084 I2088 | A2084-T2086 VanDerWaalsContact C-N 3.26Å; A2084-T2086 PolarHBondContact O-N 2.79Å; T2086-I2088 VanDerWaalsContact C-N 3.26Å; T2086-I2088 PolarHBondContact O-N 3.05Å | ||
| 2087 | E | 23 | Very low | 30.5 | Very low | 189 Ų | 189 | 94.7 Ų | 94.7 | 88% | 0.883 | 55% | 0.552 | S | S | * | * | trans | -64.1 | 90.3 | 168 | -66.2 | -166.8 | 139.5 | 0 | 0 | 108.5 | Q2085 S2089 | Q2085-E2087 PolarHBondContact O-N 2.8Å; E2087-S2089 PolarHBondContact O-N 2.8Å | ||
| 2088 | I | 25.5 | Very low | 29.4 | Very low | 145 Ų | 145 | 98.2 Ų | 98.2 | 74% | 0.744 | 59% | 0.589 | S | S | * | * | trans | -73 | 87.6 | 177.4 | -61 | 177.5 | 0 | 0 | 0 | 107.5 | T2086 S2090 | T2086-I2088 VanDerWaalsContact C-N 3.26Å; T2086-I2088 PolarHBondContact O-N 3.05Å; I2088-S2090 PolarHBondContact O-N 2.98Å | ||
| 2089 | S | 23 | Very low | 28.4 | Very low | 100 Ų | 100 | 103.1 Ų | 103.1 | 70% | 0.699 | 62% | 0.619 | S | S | * | * | trans | -53.7 | 109.1 | 174.8 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | E2087 | E2087-S2089 PolarHBondContact O-N 2.8Š| ||
| 2090 | S | 23.2 | Very low | 27.3 | Very low | 103 Ų | 103 | 107 Ų | 107 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 38.9 | 109.1 | 161 | 50.6 | 0 | 0 | 0 | 0 | 118.4 | I2088 | I2088-S2090 PolarHBondContact O-N 2.98Š|
| 2091 | S | 22.8 | Very low | 26.6 | Very low | 106 Ų | 106 | 108 Ų | 108 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | trans | 70 | 108.3 | 157.7 | 70.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2092 | M | 20.3 | Very low | 26.4 | Very low | 171 Ų | 171 | 107.6 Ų | 107.6 | 84% | 0.842 | 66% | 0.656 | S | S | * | * | -155.2 | 167.7 | 106.7 | -105.7 | -77 | 86.7 | 0 | 0 | 110.7 | |||||
| 2093 | S | 22.7 | Very low | 26.4 | Very low | 89 Ų | 89 | 107.4 Ų | 107.4 | 62% | 0.622 | 65% | 0.652 | S | S | * | * | trans | -95.4 | 162.2 | -169 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2094 | S | 23 | Very low | 26.5 | Very low | 103 Ų | 103 | 108.3 Ų | 108.3 | 72% | 0.72 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 69.5 | 107 | 163.3 | 53.4 | 0 | 0 | 0 | 0 | 119.8 | ||
| 2095 | L | 22.6 | Very low | 27.1 | Very low | 177 Ų | 177 | 108.6 Ų | 108.6 | 93% | 0.927 | 65% | 0.646 | S | S | * | * | trans | 68.4 | 76.6 | 133.4 | -61.3 | 170.2 | 0 | 0 | 0 | 118.9 | ||||
| 2096 | S | 22.9 | Very low | 27.9 | Very low | 114 Ų | 114 | 103.9 Ų | 103.9 | 80% | 0.797 | 63% | 0.626 | S | S | * | * | trans | -140.5 | 139.5 | 137.6 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | G2098 | S2096-G2098 PolarHBondContact O-N 3.02Š| ||
| 2097 | T | 22.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 103.4 Ų | 103.4 | 82% | 0.816 | 63% | 0.626 | S | S | * | * | trans | -59.3 | 128.4 | 172.1 | 32.1 | 0 | 0 | 0 | 0 | 109.9 | V2099 | T2097-V2099 VanDerWaalsContact C-N 3.35Å; T2097-V2099 PolarHBondContact O-N 3.45Å | ||
| 2098 | G | 22.5 | Very low | 29.7 | Very low | 78 Ų | 78 | 96.9 Ų | 96.9 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | trans | -71.5 | 82.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2096 I2100 | S2096-G2098 PolarHBondContact O-N 3.02Å; G2098-I2100 PolarHBondContact O-N 2.52Å | ||
| 2099 | V | 26.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 91.9 Ų | 91.9 | 63% | 0.63 | 58% | 0.575 | S | S | * | * | trans | -61.2 | 124.3 | 169 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | T2097 S2101 | T2097-V2099 VanDerWaalsContact C-N 3.35Å; T2097-V2099 PolarHBondContact O-N 3.45Å; V2099-S2101 PolarHBondContact O-N 2.71Å | ||
| 2100 | I | 24.6 | Very low | 31.5 | Very low | 130 Ų | 130 | 92 Ų | 92 | 67% | 0.667 | 57% | 0.565 | S | S | * | * | trans | -65.5 | 97 | -179.5 | -60.5 | 171.7 | 0 | 0 | 0 | 109 | G2098 G2102 | G2098-I2100 PolarHBondContact O-N 2.52Å; I2100-G2102 PolarHBondContact O-N 3.5Å | ||
| 2101 | S | 29.5 | Very low | 32.5 | Very low | 93 Ų | 93 | 90.8 Ų | 90.8 | 65% | 0.65 | 55% | 0.545 | S | S | * | . | trans | -95.3 | 61.1 | -166.3 | 56 | 0 | 0 | 0 | 0 | 113.1 | V2099 | V2099-S2101 PolarHBondContact O-N 2.71Š| ||
| 2102 | G | 37.2 | Very low | 33.4 | Very low | 8 Ų | 8 | 91.2 Ų | 91.2 | 8% | 0.082 | 54% | 0.537 | C | S | . | . | trans | 154.6 | 95.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T2083 A2084 I2100 | T2083-G2102 WeakPolarHBondContact CA-O 3.48Å; A2084-G2102 PolarHBondContact N-O 3.27Å; I2100-G2102 PolarHBondContact O-N 3.5Å | ||
| 2103 | I | 40.9 | Very low | 34.6 | Very low | 27 Ų | 27 | 84.1 Ų | 84.1 | 14% | 0.138 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112.6 | 163.5 | -67 | 173.2 | 0 | 0 | 0 | 106.1 | M1946 Y1956 I2081 T2083 | M1946-I2103 HydrophobicContact CE-CB 4.16Å; M1946-I2103 HydrophobicContact CE-CG2 3.88Å; M1946-I2103 HydrophobicContact SD-CG2 4.47Å; Y1956-I2103 WeakPolarHBondContact CE2-O 3.32Å; I2081-I2103 HydrophobicContact CG2-CG2 3.76Å; T2083-I2103 HydrophobicContact CG2-CG1 4.49Å |
| 2104 | Q | 41.2 | Very low | 35.2 | Very low | 93 Ų | 93 | 88.2 Ų | 88.2 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 153.3 | 175.7 | -70.3 | -178 | -64.9 | 0 | 0 | 110.6 | I2081 S2082 | I2081-Q2104 CarbonylContact C-O 3.54Å; I2081-Q2104 VanDerWaalsContact CA-O 3.32Å; I2081-Q2104 WeakPolarHBondContact CA-O 3.48Å; S2082-Q2104 PolarHBondContact N-O 2.64Å; S2082-Q2104 PolarHBondContact O-N 2.63Å |
| 2105 | L | 43.3 | Very low | 36 | Very low | 57 Ų | 57 | 87.3 Ų | 87.3 | 30% | 0.298 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 111.7 | 178.3 | -80 | 160.6 | 0 | 0 | 0 | 109.1 | M1946 L2035 Y2079 E2080 I2081 | M1946-L2105 HydrophobicContact CG-CD1 4.35Å; M1946-L2105 HydrophobicContact SD-CD1 3.95Å; L2035-L2105 HydrophobicContact CB-CD2 4.49Å; L2035-L2105 HydrophobicContact CD1-CD2 4.34Å; Y2079-L2105 HydrophobicContact CG-CD2 4.42Å; E2080-L2105 CarbonylContact O-C 3.51Å; E2080-L2105 WeakPolarHBondContact O-CA 3.26Å; I2081-L2105 HydrophobicContact CD1-CD2 4.26Å; I2081-L2105 HydrophobicContact CG1-CD2 3.47Å; I2081-L2105 VanDerWaalsContact CG1-CD2 3.47Å; I2081-L2105 HydrophobicContact CG1-CG 4.41Å |
| 2106 | N | 42.4 | Very low | 37 | Very low | 76 Ų | 76 | 82.9 Ų | 82.9 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.9 | 177.7 | -64.2 | -19.2 | 0 | 0 | 0 | 109.2 | Y2079 E2080 S2082 | Y2079-N2106 CarbonylContact C-O 3.49Å; Y2079-N2106 WeakPolarHBondContact CA-O 3.31Å; E2080-N2106 PolarHBondContact N-O 3Å; E2080-N2106 PolarHBondContact O-N 2.99Å; S2082-N2106 PolarHBondContact OG-ND2 2.86Å |
| 2107 | S | 43.8 | Very low | 37.8 | Very low | 75 Ų | 75 | 78.9 Ų | 78.9 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.9 | 179.8 | -153.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 2108 | V | 42.9 | Very low | 38.7 | Very low | 52 Ų | 52 | 81.1 Ų | 81.1 | 32% | 0.315 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -53.1 | -179.5 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | L2034 A2078 E2080 | L2034-V2108 HydrophobicContact CD1-CG2 3.98Å; A2078-V2108 HydrophobicContact CB-CB 4.32Å; A2078-V2108 PolarHBondContact O-N 3.39Å; E2080-V2108 HydrophobicContact CB-CG2 3.73Å |
| 2109 | T | 40.6 | Very low | 39.6 | Very low | 40 Ų | 40 | 80.9 Ų | 80.9 | 25% | 0.245 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 150.6 | 176.9 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | V2077 A2078 L2153 | V2077-T2109 WeakPolarHBondContact CA-O 3.34Å; A2078-T2109 PolarHBondContact N-O 3.12Å; A2078-T2109 PolarHBondContact O-N 3.11Å; T2109-L2153 HydrophobicContact CG2-CD1 4.12Å |
| 2110 | E | 45.4 | Very low | 40.4 | Very low | 102 Ų | 102 | 77 Ų | 77 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.2 | 163.6 | -61.3 | -159 | 127.5 | 0 | 0 | 108.7 | R2039 V2077 | R2039-E2110 IonicContact CZ-OE1 2.74Å; R2039-E2110 IonicContact NH1-OE1 2.86Å; R2039-E2110 PolarHBondContact NH1-OE1 3.36Å; R2039-E2110 IonicContact NH1-OE2 3.01Å; V2077-E2110 HydrophobicContact CB-CG 4.31Å; V2077-E2110 HydrophobicContact CG1-CG 3.87Å; V2077-E2110 HydrophobicContact CG2-CB 4.32Å; V2077-E2110 HydrophobicContact CG2-CG 3.83Å; V2077-E2110 WeakPolarHBondContact CG2-OE1 3.39Å |
| 2111 | Y | 44.8 | Very low | 41.2 | Very low | 78 Ų | 78 | 73.1 Ų | 73.1 | 31% | 0.306 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 144.5 | 179 | -170 | -89.4 | 0 | 0 | 0 | 111.5 | C2075 L2076 F2113 R2139 F2141 | C2075-Y2111 WeakPolarHBondContact CA-O 3.33Å; L2076-Y2111 PolarHBondContact N-O 3.19Å; L2076-Y2111 PolarHBondContact O-N 3.37Å; Y2111-F2113 HydrophobicContact CD1-CD1 4.43Å; Y2111-F2113 AromaticContact CD1-CD2 3.96Å; Y2111-F2113 HydrophobicContact CD1-CD2 3.96Å; Y2111-F2113 HydrophobicContact CD1-CE1 4.16Å; Y2111-F2113 AromaticContact CD1-CE2 3.65Å; Y2111-F2113 HydrophobicContact CD1-CE2 3.65Å; Y2111-F2113 HydrophobicContact CD1-CG 4.33Å; Y2111-F2113 AromaticContact CD1-CZ 3.76Å; Y2111-F2113 HydrophobicContact CD1-CZ 3.76Å; Y2111-F2113 HydrophobicContact CE1-CD1 4.11Å; Y2111-F2113 HydrophobicContact CE1-CD2 4.41Å; Y2111-F2113 AromaticContact CE1-CE1 3.96Å; Y2111-F2113 HydrophobicContact CE1-CE1 3.96Å; Y2111-F2113 HydrophobicContact CE1-CE2 4.26Å; Y2111-F2113 HydrophobicContact CE1-CG 4.33Å; Y2111-F2113 HydrophobicContact CE1-CZ 4.03Å; Y2111-R2139 PolarHBondContact OH-NH1 2.93Å; Y2111-R2139 VanDerWaalsContact OH-NH1 3.08Å; Y2111-F2141 HydrophobicContact CD1-CZ 4.02Å; Y2111-F2141 AromaticContact CD2-CE1 3.7Å; Y2111-F2141 HydrophobicContact CD2-CE1 3.7Å; Y2111-F2141 AromaticContact CD2-CZ 3.92Å; Y2111-F2141 HydrophobicContact CD2-CZ 3.92Å; Y2111-F2141 HydrophobicContact CE1-CZ 4.06Å; Y2111-F2141 AromaticContact CE2-CE1 3.82Å; Y2111-F2141 HydrophobicContact CE2-CE1 3.82Å; Y2111-F2141 AromaticContact CE2-CZ 3.94Å; Y2111-F2141 HydrophobicContact CE2-CZ 3.94Å; Y2111-F2141 HydrophobicContact CG-CE1 4.13Å; Y2111-F2141 AromaticContact CG-CZ 3.96Å; Y2111-F2141 HydrophobicContact CG-CZ 3.96Å |
| 2112 | M | 42.5 | Very low | 41.8 | Very low | 116 Ų | 116 | 69.5 Ų | 69.5 | 57% | 0.571 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.1 | -179.1 | -70.4 | -177.1 | 69.2 | 0 | 0 | 112.2 | A2073 R2074 C2075 | A2073-M2112 HydrophobicContact CB-CE 3.76Å; R2074-M2112 WeakPolarHBondContact O-CA 3.48Å; C2075-M2112 HydrophobicContact CB-CG 4.02Å |
| 2113 | F | 44.8 | Very low | 42 | Very low | 22 Ų | 22 | 69.4 Ų | 69.4 | 10% | 0.096 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.6 | 175.8 | -64.5 | -93.7 | 0 | 0 | 0 | 111.3 | R2074 L2076 Y2111 N2115 T2131 T2133 | R2074-F2113 PolarHBondContact N-O 2.91Å; R2074-F2113 PolarHBondContact O-N 2.8Å; L2076-F2113 HydrophobicContact CB-CD2 4.36Å; L2076-F2113 HydrophobicContact CB-CE2 3.95Å; L2076-F2113 HydrophobicContact CD1-CE2 4Å; Y2111-F2113 HydrophobicContact CD1-CD1 4.43Å; Y2111-F2113 AromaticContact CD1-CD2 3.96Å; Y2111-F2113 HydrophobicContact CD1-CD2 3.96Å; Y2111-F2113 HydrophobicContact CD1-CE1 4.16Å; Y2111-F2113 AromaticContact CD1-CE2 3.65Å; Y2111-F2113 HydrophobicContact CD1-CE2 3.65Å; Y2111-F2113 HydrophobicContact CD1-CG 4.33Å; Y2111-F2113 AromaticContact CD1-CZ 3.76Å; Y2111-F2113 HydrophobicContact CD1-CZ 3.76Å; Y2111-F2113 HydrophobicContact CE1-CD1 4.11Å; Y2111-F2113 HydrophobicContact CE1-CD2 4.41Å; Y2111-F2113 AromaticContact CE1-CE1 3.96Å; Y2111-F2113 HydrophobicContact CE1-CE1 3.96Å; Y2111-F2113 HydrophobicContact CE1-CE2 4.26Å; Y2111-F2113 HydrophobicContact CE1-CG 4.33Å; Y2111-F2113 HydrophobicContact CE1-CZ 4.03Å; F2113-N2115 WeakPolarHBondContact CB-O 3.4Å; F2113-T2131 HydrophobicContact CZ-CG2 4.46Å; F2113-T2133 HydrophobicContact CD1-CG2 4.09Å; F2113-T2133 HydrophobicContact CE1-CG2 4.27Å |
| 2114 | E | 35.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 74.8 Ų | 74.8 | 82% | 0.818 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -72.2 | -39.8 | 172.9 | -61.8 | -173.4 | 153.6 | 0 | 0 | 112.1 | ||
| 2115 | N | 41 | Very low | 41.6 | Very low | 83 Ų | 83 | 76.9 Ų | 76.9 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -128.8 | 154.4 | 178 | -72.9 | -57.2 | 0 | 0 | 0 | 110.2 | F2113 P2134 | F2113-N2115 WeakPolarHBondContact CB-O 3.4Å; N2115-P2134 HydrophobicContact CB-CG 4.42Å |
| 2116 | E | 43.3 | Very low | 41.5 | Very low | 84 Ų | 84 | 75.6 Ų | 75.6 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | trans | -65.8 | 125.2 | -179.5 | -176.6 | 141.5 | -123.1 | 0 | 0 | 111.5 | K2038 R2074 P2134 | K2038-E2116 WeakPolarHBondContact CE-OE1 3.38Å; K2038-E2116 IonicContact NZ-OE1 3.99Å; K2038-E2116 PolarHBondContact NZ-OE1 3.3Å; R2074-E2116 IonicContact CZ-OE2 3.58Å; R2074-E2116 IonicContact NH1-OE1 2.83Å; R2074-E2116 PolarHBondContact NH1-OE1 2.69Å; R2074-E2116 IonicContact NH1-OE2 3.68Å; R2074-E2116 PolarHBondContact NH1-OE2 2.89Å; E2116-P2134 WeakPolarHBondContact O-CD 3.36Å; E2116-P2134 WeakPolarHBondContact O-CG 3.33Å | ||
| 2117 | P | 38.6 | Very low | 41.5 | Very low | 31 Ų | 31 | 76.5 Ų | 76.5 | 20% | 0.201 | 37% | 0.369 | C | S | . | . | trans | -66.4 | 139.7 | -179.9 | 26.3 | -33.8 | 0 | 0 | 0 | 111.4 | L2120 V2132 T2133 | P2117-L2120 HydrophobicContact CB-CD2 4.25Å; P2117-L2120 HydrophobicContact CG-CD2 4.13Å; P2117-V2132 CarbonylContact C-O 3.53Å; P2117-V2132 VanDerWaalsContact CA-O 3.27Å; P2117-V2132 WeakPolarHBondContact CA-O 3.29Å; P2117-V2132 VanDerWaalsContact CB-O 3.27Å; P2117-V2132 WeakPolarHBondContact CB-O 3.34Å; P2117-T2133 HydrophobicContact CB-CG2 4.34Å | ||
| 2118 | Y | 43 | Very low | 41.4 | Very low | 180 Ų | 180 | 73.8 Ų | 73.8 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -72.5 | -32.4 | 177 | -86.8 | -51 | 0 | 0 | 0 | 112.7 | V2132 P2134 | Y2118-V2132 PolarHBondContact N-O 3.01Å; Y2118-P2134 HydrophobicContact CD2-CB 4.04Å; Y2118-P2134 HydrophobicContact CD2-CG 3.88Å; Y2118-P2134 HydrophobicContact CE2-CB 3.6Å; Y2118-P2134 HydrophobicContact CE2-CG 3.8Å; Y2118-P2134 HydrophobicContact CG-CG 4.42Å |
| 2119 | M | 40.1 | Very low | 41.7 | Very low | 72 Ų | 72 | 71.9 Ų | 71.9 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 144.9 | -175.4 | -166.3 | 155.3 | 64.4 | 0 | 0 | 112 | F2022 V2132 | F2022-M2119 HydrophobicContact CD2-CG 4.4Å; F2022-M2119 HydrophobicContact CE2-CG 4.24Å; M2119-V2132 HydrophobicContact CB-CB 4.23Å; M2119-V2132 HydrophobicContact CB-CG2 4.36Å; M2119-V2132 PolarHBondContact N-O 2.91Å; M2119-V2132 PolarHBondContact O-N 3.1Å |
| 2120 | L | 42.6 | Very low | 42.1 | Very low | 22 Ų | 22 | 71.7 Ų | 71.7 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.4 | 175.8 | -58.5 | 174.6 | 0 | 0 | 0 | 108.1 | L2076 P2117 I2130 T2131 | L2076-L2120 HydrophobicContact CD1-CD1 4.09Å; P2117-L2120 HydrophobicContact CB-CD2 4.25Å; P2117-L2120 HydrophobicContact CG-CD2 4.13Å; L2120-I2130 WeakPolarHBondContact CA-O 3.38Å; L2120-T2131 HydrophobicContact CD2-CG2 3.43Å; L2120-T2131 VanDerWaalsContact CD2-CG2 3.43Å |
| 2121 | W | 42.8 | Very low | 42.2 | Very low | 49 Ų | 49 | 66.9 Ų | 66.9 | 19% | 0.186 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.2 | 177.7 | -86.9 | 42.1 | 0 | 0 | 0 | 109.2 | N2020 L2129 I2130 M2204 A2208 | N2020-W2121 HydrophobicContact CB-CE3 4.24Å; N2020-W2121 HydrophobicContact CB-CZ3 4.29Å; W2121-L2129 CarbonylContact O-C 3.55Å; W2121-L2129 WeakPolarHBondContact O-CA 3.11Å; W2121-I2130 HydrophobicContact CB-CB 4.31Å; W2121-I2130 PolarHBondContact N-O 3Å; W2121-I2130 PolarHBondContact O-N 3.04Å; W2121-M2204 HydrophobicContact CE3-CE 4.06Å; W2121-M2204 HydrophobicContact CZ3-CE 4.45Å; W2121-A2208 HydrophobicContact CH2-CB 4.38Å |
| 2122 | L | 42.3 | Very low | 42.1 | Very low | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.1 | 175.2 | -174.3 | 124.4 | 0 | 0 | 0 | 110.9 | N2020 I2021 I2023 A2029 I2036 L2129 L2143 | N2020-L2122 PolarHBondContact OD1-O 3.12Å; I2021-L2122 PolarHBondContact O-N 2.67Å; I2023-L2122 HydrophobicContact CD1-CB 4.45Å; A2029-L2122 HydrophobicContact CB-CD2 4.15Å; I2036-L2122 HydrophobicContact CD1-CD1 4.16Å; L2122-L2129 HydrophobicContact CB-CD1 4.28Å; L2122-L2129 HydrophobicContact CD1-CB 4.36Å; L2122-L2129 HydrophobicContact CD1-CD1 4.07Å; L2122-L2143 HydrophobicContact CD1-CD1 3.98Å |
| 2123 | S | 41 | Very low | 42.1 | Very low | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | trans | -74.4 | 127.7 | 174.2 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | T2126 K2127 T2128 | S2123-T2126 WeakPolarHBondContact CB-OG1 3.14Å; S2123-T2126 PolarHBondContact OG-N 3.4Å; S2123-T2126 PolarHBondContact OG-OG1 3.31Å; S2123-K2127 WeakPolarHBondContact O-CA 3.15Å; S2123-K2127 PolarHBondContact O-N 3.03Å; S2123-T2128 PolarHBondContact N-O 3.05Å | ||
| 2124 | R | 35.8 | Very low | 41.8 | Very low | 141 Ų | 141 | 61.8 Ų | 61.8 | 53% | 0.532 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -45 | 175.6 | -78.2 | 174.2 | 164.5 | -179.8 | -3.1 | 112.2 | D2019 | D2019-R2124 WeakPolarHBondContact OD1-CD 3.29Å; D2019-R2124 IonicContact OD1-CZ 3.65Å; D2019-R2124 IonicContact OD1-NE 2.97Å; D2019-R2124 IonicContact OD1-NH1 3.99Å; D2019-R2124 PolarHBondContact OD1-NH1 3.47Å |
| 2125 | D | 38.7 | Very low | 41.9 | Very low | 136 Ų | 136 | 56 Ų | 56 | 73% | 0.727 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -45.2 | -168.1 | -60.4 | -30.2 | 0 | 0 | 0 | 112.2 | ||
| 2126 | T | 41.3 | Very low | 41.6 | Very low | 30 Ų | 30 | 58.8 Ų | 58.8 | 18% | 0.184 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8.4 | 179 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | S2123 T2128 L2201 | S2123-T2126 WeakPolarHBondContact CB-OG1 3.14Å; S2123-T2126 PolarHBondContact OG-N 3.4Å; S2123-T2126 PolarHBondContact OG-OG1 3.31Å; T2126-T2128 PolarHBondContact O-N 3.32Å; T2126-T2128 VanDerWaalsContact O-N 3.13Å; T2126-T2128 PolarHBondContact OG1-OG1 2.98Å; T2126-L2201 HydrophobicContact CG2-CD1 4.33Å; T2126-L2201 HydrophobicContact CG2-CG 4.23Å |
| 2127 | K | 41.6 | Very low | 41.2 | Very low | 95 Ų | 95 | 56.6 Ų | 56.6 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | trans | 55.8 | 19.2 | -172.3 | -59.2 | -179.1 | 177.5 | 177.8 | 0 | 114.9 | S2123 L2143 | S2123-K2127 WeakPolarHBondContact O-CA 3.15Å; S2123-K2127 PolarHBondContact O-N 3.03Å; K2127-L2143 HydrophobicContact CB-CB 4.35Å; K2127-L2143 WeakPolarHBondContact O-CB 3.32Å; K2127-L2143 VanDerWaalsContact O-CG 3.3Å; K2127-L2143 WeakPolarHBondContact O-CG 3.45Å; K2127-L2143 PolarHBondContact O-N 2.99Å | ||
| 2128 | T | 40.7 | Very low | 41.1 | Very low | 19 Ų | 19 | 60.2 Ų | 60.2 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 139 | 178.2 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | S2123 T2126 F2141 D2142 | S2123-T2128 PolarHBondContact N-O 3.05Å; T2126-T2128 PolarHBondContact O-N 3.32Å; T2126-T2128 VanDerWaalsContact O-N 3.13Å; T2126-T2128 PolarHBondContact OG1-OG1 2.98Å; T2128-F2141 CarbonylContact C-O 3.56Å; T2128-F2141 WeakPolarHBondContact CA-O 3.24Å; T2128-D2142 HydrophobicContact CG2-CB 4.47Å |
| 2129 | L | 49.3 | Very low | 40.8 | Very low | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109.3 | 172.9 | 175.6 | 71.5 | 0 | 0 | 0 | 109.3 | W2121 L2122 T2131 G2140 F2141 L2143 | W2121-L2129 CarbonylContact O-C 3.55Å; W2121-L2129 WeakPolarHBondContact O-CA 3.11Å; L2122-L2129 HydrophobicContact CB-CD1 4.28Å; L2122-L2129 HydrophobicContact CD1-CB 4.36Å; L2122-L2129 HydrophobicContact CD1-CD1 4.07Å; L2129-T2131 HydrophobicContact CD2-CG2 4.46Å; L2129-T2131 HydrophobicContact CG-CG2 4.13Å; L2129-G2140 CarbonylContact O-C 3.52Å; L2129-G2140 WeakPolarHBondContact O-CA 3.26Å; L2129-F2141 HydrophobicContact CB-CB 4.47Å; L2129-F2141 HydrophobicContact CD2-CD2 4.44Å; L2129-F2141 PolarHBondContact N-O 2.54Å; L2129-F2141 PolarHBondContact O-N 3.46Å; L2129-L2143 HydrophobicContact CB-CD1 4.15Å |
| 2130 | I | 49.2 | Very low | 40.9 | Very low | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135 | 178.3 | -59 | 175 | 0 | 0 | 0 | 109.8 | L2120 W2121 L2138 R2139 | L2120-I2130 WeakPolarHBondContact CA-O 3.38Å; W2121-I2130 HydrophobicContact CB-CB 4.31Å; W2121-I2130 PolarHBondContact N-O 3Å; W2121-I2130 PolarHBondContact O-N 3.04Å; I2130-L2138 HydrophobicContact CG2-CD2 3.54Å; I2130-R2139 CarbonylContact C-O 3.55Å; I2130-R2139 WeakPolarHBondContact CA-O 3.02Å |
| 2131 | T | 48.9 | Very low | 41.1 | Very low | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.8 | -172.3 | 68.8 | 0 | 0 | 0 | 0 | 110.9 | F2113 L2120 L2129 L2138 R2139 F2141 | F2113-T2131 HydrophobicContact CZ-CG2 4.46Å; L2120-T2131 HydrophobicContact CD2-CG2 3.43Å; L2120-T2131 VanDerWaalsContact CD2-CG2 3.43Å; L2129-T2131 HydrophobicContact CD2-CG2 4.46Å; L2129-T2131 HydrophobicContact CG-CG2 4.13Å; T2131-L2138 CarbonylContact O-C 3.56Å; T2131-L2138 WeakPolarHBondContact O-CA 3.39Å; T2131-R2139 PolarHBondContact N-O 2.82Å; T2131-R2139 PolarHBondContact O-N 3.17Å; T2131-R2139 PolarHBondContact OG1-O 3.45Å; T2131-F2141 HydrophobicContact CG2-CD2 4Å; T2131-F2141 HydrophobicContact CG2-CE2 3.76Å |
| 2132 | V | 41.4 | Very low | 40.8 | Very low | 39 Ų | 39 | 57 Ų | 57 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.8 | -178.6 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | P2117 Y2118 M2119 Y2137 L2138 | P2117-V2132 CarbonylContact C-O 3.53Å; P2117-V2132 VanDerWaalsContact CA-O 3.27Å; P2117-V2132 WeakPolarHBondContact CA-O 3.29Å; P2117-V2132 VanDerWaalsContact CB-O 3.27Å; P2117-V2132 WeakPolarHBondContact CB-O 3.34Å; Y2118-V2132 PolarHBondContact N-O 3.01Å; M2119-V2132 HydrophobicContact CB-CB 4.23Å; M2119-V2132 HydrophobicContact CB-CG2 4.36Å; M2119-V2132 PolarHBondContact N-O 2.91Å; M2119-V2132 PolarHBondContact O-N 3.1Å; V2132-Y2137 WeakPolarHBondContact CA-O 3.34Å; V2132-L2138 HydrophobicContact CG2-CD2 3.64Å; V2132-L2138 HydrophobicContact CG2-CG 4.22Å |
| 2133 | T | 41.9 | Very low | 41 | Very low | 26 Ų | 26 | 57.4 Ų | 57.4 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | trans | -113.3 | 160.3 | -176.4 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | F2113 P2117 N2135 E2136 Y2137 | F2113-T2133 HydrophobicContact CD1-CG2 4.09Å; F2113-T2133 HydrophobicContact CE1-CG2 4.27Å; P2117-T2133 HydrophobicContact CB-CG2 4.34Å; T2133-N2135 PolarHBondContact O-N 3.35Å; T2133-N2135 VanDerWaalsContact O-N 3.14Å; T2133-E2136 PolarHBondContact O-N 3.33Å; T2133-E2136 VanDerWaalsContact O-N 3.11Å; T2133-Y2137 PolarHBondContact N-O 2.86Å; T2133-Y2137 VanDerWaalsContact N-O 3.09Å; T2133-Y2137 PolarHBondContact OG1-O 3.43Å | ||
| 2134 | P | 38.5 | Very low | 40.8 | Very low | 44 Ų | 44 | 59.1 Ų | 59.1 | 29% | 0.286 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.7 | 179.4 | -24.9 | 35.5 | 0 | 0 | 0 | 115.4 | N2115 E2116 Y2118 | N2115-P2134 HydrophobicContact CB-CG 4.42Å; E2116-P2134 WeakPolarHBondContact O-CD 3.36Å; E2116-P2134 WeakPolarHBondContact O-CG 3.33Å; Y2118-P2134 HydrophobicContact CD2-CB 4.04Å; Y2118-P2134 HydrophobicContact CD2-CG 3.88Å; Y2118-P2134 HydrophobicContact CE2-CB 3.6Å; Y2118-P2134 HydrophobicContact CE2-CG 3.8Å; Y2118-P2134 HydrophobicContact CG-CG 4.42Å |
| 2135 | N | 37.1 | Very low | 40.6 | Very low | 54 Ų | 54 | 57.9 Ų | 57.9 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 39.4 | 174.2 | -58 | -2.2 | 0 | 0 | 0 | 110.6 | T2133 Y2137 | T2133-N2135 PolarHBondContact O-N 3.35Å; T2133-N2135 VanDerWaalsContact O-N 3.14Å; N2135-Y2137 VanDerWaalsContact C-N 3.26Å; N2135-Y2137 WeakPolarHBondContact O-CD2 3.44Å; N2135-Y2137 PolarHBondContact O-N 2.83Å |
| 2136 | E | 35.3 | Very low | 40 | Very low | 141 Ų | 141 | 59.4 Ų | 59.4 | 66% | 0.659 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 62.6 | 14.2 | 162.2 | -61.4 | 168.3 | -156.7 | 0 | 0 | 117.5 | T2133 | T2133-E2136 PolarHBondContact O-N 3.33Å; T2133-E2136 VanDerWaalsContact O-N 3.11Å |
| 2137 | Y | 34.7 | Very low | 39.5 | Very low | 39 Ų | 39 | 66.9 Ų | 66.9 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | trans | -86.8 | 125.5 | 168.6 | -70.2 | -91.5 | 0 | 0 | 0 | 112.5 | R951 A952 D955 V2132 T2133 N2135 | R951-Y2137 HydrophobicContact CB-CE1 4.28Å; R951-Y2137 HydrophobicContact CG-CE1 3.95Å; R951-Y2137 PolarHBondContact O-OH 2.76Å; A952-Y2137 VanDerWaalsContact CA-OH 3.26Å; A952-Y2137 WeakPolarHBondContact CA-OH 3.28Å; A952-Y2137 PolarHBondContact N-OH 3.37Å; A952-Y2137 VanDerWaalsContact N-OH 3.14Å; D955-Y2137 HydrophobicContact CB-CE2 4.37Å; D955-Y2137 VanDerWaalsContact OD2-CE2 3.27Å; D955-Y2137 WeakPolarHBondContact OD2-CE2 3.36Å; D955-Y2137 PolarHBondContact OD2-OH 3.14Å; V2132-Y2137 WeakPolarHBondContact CA-O 3.34Å; T2133-Y2137 PolarHBondContact N-O 2.86Å; T2133-Y2137 VanDerWaalsContact N-O 3.09Å; T2133-Y2137 PolarHBondContact OG1-O 3.43Å; N2135-Y2137 VanDerWaalsContact C-N 3.26Å; N2135-Y2137 WeakPolarHBondContact O-CD2 3.44Å; N2135-Y2137 PolarHBondContact O-N 2.83Å | ||
| 2138 | L | 37.4 | Very low | 38.7 | Very low | 106 Ų | 106 | 66.5 Ų | 66.5 | 56% | 0.555 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128 | 151.2 | -87.5 | 152.4 | 0 | 0 | 0 | 108.9 | I2130 T2131 V2132 | I2130-L2138 HydrophobicContact CG2-CD2 3.54Å; T2131-L2138 CarbonylContact O-C 3.56Å; T2131-L2138 WeakPolarHBondContact O-CA 3.39Å; V2132-L2138 HydrophobicContact CG2-CD2 3.64Å; V2132-L2138 HydrophobicContact CG2-CG 4.22Å |
| 2139 | R | 37.4 | Very low | 38.1 | Very low | 100 Ų | 100 | 74.2 Ų | 74.2 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 119.1 | 171.4 | -68.4 | -172 | 178.2 | -139.8 | -7 | 111 | Y2111 I2130 T2131 | Y2111-R2139 PolarHBondContact OH-NH1 2.93Å; Y2111-R2139 VanDerWaalsContact OH-NH1 3.08Å; I2130-R2139 CarbonylContact C-O 3.55Å; I2130-R2139 WeakPolarHBondContact CA-O 3.02Å; T2131-R2139 PolarHBondContact N-O 2.82Å; T2131-R2139 PolarHBondContact O-N 3.17Å; T2131-R2139 PolarHBondContact OG1-O 3.45Å |
| 2140 | G | 42 | Very low | 37.1 | Very low | 32 Ų | 32 | 83.2 Ų | 83.2 | 33% | 0.33 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 136.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L2129 | L2129-G2140 CarbonylContact O-C 3.52Å; L2129-G2140 WeakPolarHBondContact O-CA 3.26Å |
| 2141 | F | 45 | Very low | 35.9 | Very low | 46 Ų | 46 | 86.3 Ų | 86.3 | 20% | 0.202 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.9 | 168.3 | -57.7 | -87.9 | 0 | 0 | 0 | 108.1 | Y2111 T2128 L2129 T2131 | Y2111-F2141 HydrophobicContact CD1-CZ 4.02Å; Y2111-F2141 AromaticContact CD2-CE1 3.7Å; Y2111-F2141 HydrophobicContact CD2-CE1 3.7Å; Y2111-F2141 AromaticContact CD2-CZ 3.92Å; Y2111-F2141 HydrophobicContact CD2-CZ 3.92Å; Y2111-F2141 HydrophobicContact CE1-CZ 4.06Å; Y2111-F2141 AromaticContact CE2-CE1 3.82Å; Y2111-F2141 HydrophobicContact CE2-CE1 3.82Å; Y2111-F2141 AromaticContact CE2-CZ 3.94Å; Y2111-F2141 HydrophobicContact CE2-CZ 3.94Å; Y2111-F2141 HydrophobicContact CG-CE1 4.13Å; Y2111-F2141 AromaticContact CG-CZ 3.96Å; Y2111-F2141 HydrophobicContact CG-CZ 3.96Å; T2128-F2141 CarbonylContact C-O 3.56Å; T2128-F2141 WeakPolarHBondContact CA-O 3.24Å; L2129-F2141 HydrophobicContact CB-CB 4.47Å; L2129-F2141 HydrophobicContact CD2-CD2 4.44Å; L2129-F2141 PolarHBondContact N-O 2.54Å; L2129-F2141 PolarHBondContact O-N 3.46Å; T2131-F2141 HydrophobicContact CG2-CD2 4Å; T2131-F2141 HydrophobicContact CG2-CE2 3.76Å |
| 2142 | D | 38.4 | Very low | 34.9 | Very low | 78 Ų | 78 | 94.4 Ų | 94.4 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.5 | 172.7 | -156.2 | -26.9 | 0 | 0 | 0 | 110.2 | T2128 G2144 | T2128-D2142 HydrophobicContact CG2-CB 4.47Å; D2142-G2144 WeakPolarHBondContact OD1-CA 3.49Å; D2142-G2144 PolarHBondContact OD1-N 3.08Å |
| 2143 | L | 45.7 | Very low | 34.2 | Very low | 25 Ų | 25 | 98.2 Ų | 98.2 | 13% | 0.131 | 51% | 0.512 | C | S | . | . | trans | -115.5 | 17.1 | 174.5 | -44.3 | 169.6 | 0 | 0 | 0 | 111 | L2034 L2122 K2127 L2129 | L2034-L2143 HydrophobicContact CD2-CD1 4.05Å; L2122-L2143 HydrophobicContact CD1-CD1 3.98Å; K2127-L2143 HydrophobicContact CB-CB 4.35Å; K2127-L2143 WeakPolarHBondContact O-CB 3.32Å; K2127-L2143 VanDerWaalsContact O-CG 3.3Å; K2127-L2143 WeakPolarHBondContact O-CG 3.45Å; K2127-L2143 PolarHBondContact O-N 2.99Å; L2129-L2143 HydrophobicContact CB-CD1 4.15Å | ||
| 2144 | G | 36.8 | Very low | 33.5 | Very low | 43 Ų | 43 | 98.8 Ų | 98.8 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | trans | -59.4 | 140.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2142 | D2142-G2144 WeakPolarHBondContact OD1-CA 3.49Å; D2142-G2144 PolarHBondContact OD1-N 3.08Å | ||
| 2145 | L | 30.4 | Very low | 32.8 | Very low | 115 Ų | 115 | 103 Ų | 103 | 60% | 0.602 | 54% | 0.542 | S | S | * | . | trans | -88.7 | 126.7 | 177.4 | -68.7 | 161.7 | 0 | 0 | 0 | 109.8 | ||||
| 2146 | H | 27.2 | Very low | 32.3 | Very low | 168 Ų | 168 | 107.9 Ų | 107.9 | 78% | 0.778 | 57% | 0.568 | S | S | * | * | trans | -127.9 | 141.4 | 147.2 | -108.9 | -92.8 | 0 | 0 | 0 | 108.4 | D2148 | H2146-D2148 IonicContact CE1-OD2 2.88Å; H2146-D2148 IonicContact CG-OD2 3.94Å; H2146-D2148 IonicContact ND1-OD2 3.3Å; H2146-D2148 PolarHBondContact ND1-OD2 3.28Å | ||
| 2147 | Q | 30.3 | Very low | 31.9 | Very low | 186 Ų | 186 | 106.6 Ų | 106.6 | 87% | 0.869 | 56% | 0.562 | S | S | * | * | trans | -102.3 | 41.2 | -172.4 | -69.7 | -167.9 | -46.5 | 0 | 0 | 111.8 | ||||
| 2148 | D | 26.1 | Very low | 31.4 | Very low | 88 Ų | 88 | 109.3 Ų | 109.3 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | trans | -125.4 | 143.7 | -174.5 | -49.4 | -62.6 | 0 | 0 | 0 | 108.3 | H2146 | H2146-D2148 IonicContact CE1-OD2 2.88Å; H2146-D2148 IonicContact CG-OD2 3.94Å; H2146-D2148 IonicContact ND1-OD2 3.3Å; H2146-D2148 PolarHBondContact ND1-OD2 3.28Å | ||
| 2149 | E | 28.1 | Very low | 30.8 | Very low | 180 Ų | 180 | 110.8 Ų | 110.8 | 84% | 0.841 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -84.2 | 150.6 | -161.6 | -63.7 | -167.1 | 140.8 | 0 | 0 | 114.1 | ||
| 2150 | E | 28.2 | Very low | 30.2 | Very low | 200 Ų | 200 | 112.6 Ų | 112.6 | 94% | 0.935 | 62% | 0.616 | S | S | * | * | trans | 58.6 | 63.2 | 171 | -57.1 | -158.6 | 149.5 | 0 | 0 | 119 | ||||
| 2151 | S | 23.5 | Very low | 29.7 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | trans | -136.7 | 142.8 | 150.8 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2152 | N | 26.5 | Very low | 28.8 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 91% | 0.909 | 66% | 0.663 | S | S | * | * | trans | -88.9 | 133.7 | -171.2 | -83.2 | -71.8 | 0 | 0 | 0 | 113 | G2154 | N2152-G2154 PolarHBondContact O-N 2.92Š| ||
| 2153 | L | 28 | Very low | 28.2 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 62% | 0.623 | 68% | 0.683 | S | S | * | * | trans | -53.6 | 116.7 | -175.2 | -71.5 | 143.2 | 0 | 0 | 0 | 115.1 | T2109 L2155 | T2109-L2153 HydrophobicContact CG2-CD1 4.12Å; L2153-L2155 PolarHBondContact O-N 3.38Å | ||
| 2154 | G | 26.5 | Very low | 27.2 | Very low | 39 Ų | 39 | 134 Ų | 134 | 40% | 0.402 | 72% | 0.719 | S | S | . | * | 77.2 | 19.1 | 122.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | N2152 L2156 | N2152-G2154 PolarHBondContact O-N 2.92Å; G2154-L2156 PolarHBondContact O-N 2.88Å | |||
| 2155 | L | 24.9 | Very low | 26.5 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -79.9 | 104.9 | 164.9 | -98.8 | 167 | 0 | 0 | 0 | 110.3 | L2153 E2157 | L2153-L2155 PolarHBondContact O-N 3.38Å; L2155-E2157 PolarHBondContact O-N 3.46Å | ||
| 2156 | L | 26.5 | Very low | 26.2 | Very low | 156 Ų | 156 | 144 Ų | 144 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 34.2 | -179.9 | -118.2 | 170.1 | 0 | 0 | 0 | 114.1 | G2154 | G2154-L2156 PolarHBondContact O-N 2.88Š|
| 2157 | E | 26.1 | Very low | 25.9 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 54% | 0.537 | 74% | 0.739 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.2 | 10.9 | -177.3 | -66.4 | -162.7 | -175.9 | 0 | 0 | 114.6 | N948 L2155 | N948-E2157 WeakPolarHBondContact CB-OE2 3.26Å; N948-E2157 VanDerWaalsContact CG-CD 3.44Å; N948-E2157 VanDerWaalsContact CG-OE2 3.27Å; N948-E2157 WeakPolarHBondContact ND2-CG 3.32Å; N948-E2157 PolarHBondContact ND2-OE1 2.9Å; N948-E2157 PolarHBondContact ND2-OE2 3.46Å; L2155-E2157 PolarHBondContact O-N 3.46Å |
| 2158 | S | 25.1 | Very low | 25.6 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | -156.6 | 90.7 | 165.2 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | N2160 | S2158-N2160 VanDerWaalsContact C-N 3.26Å; S2158-N2160 PolarHBondContact O-N 3.26Å | ||
| 2159 | V | 24.4 | Very low | 25.4 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -78.2 | 83.2 | 158.8 | -177 | 0 | 0 | 0 | 0 | 107.9 | T2161 | V2159-T2161 HydrophobicContact CG1-CG2 4.27Š| ||
| 2160 | N | 25.1 | Very low | 25.2 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -84.8 | 112.4 | 176.5 | -151.5 | 39 | 0 | 0 | 0 | 107.8 | S2158 E2162 | S2158-N2160 VanDerWaalsContact C-N 3.26Å; S2158-N2160 PolarHBondContact O-N 3.26Å; N2160-E2162 PolarHBondContact O-N 3.04Å | ||
| 2161 | T | 30.2 | Very low | 25 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -83.9 | 25.6 | -163.4 | 57.3 | 0 | 0 | 0 | 0 | 115.2 | V2159 | V2159-T2161 HydrophobicContact CG1-CG2 4.27Š|
| 2162 | E | 27 | Very low | 24.9 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -134.4 | 139.3 | 175.4 | -65.2 | -178.5 | 171.5 | 0 | 0 | 107.2 | N2160 | N2160-E2162 PolarHBondContact O-N 3.04Š|
| 2163 | D | 25.6 | Very low | 24.8 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | 88 | 63.2 | -175.7 | -57.1 | -22.7 | 0 | 0 | 0 | 118.9 | ||||
| 2164 | Q | 24.6 | Very low | 24.6 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -128 | 79.2 | 138.4 | -90.2 | -164.4 | -19.9 | 0 | 0 | 110 | ||||
| 2165 | I | 23.3 | Very low | 24.4 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -140.9 | 83.2 | 169.7 | -53.1 | 176.3 | 0 | 0 | 0 | 108 | ||||
| 2166 | Y | 22.2 | Very low | 24.4 | Very low | 225 Ų | 225 | 155.6 Ų | 155.6 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -178.6 | 76.2 | 153.5 | -90.7 | -51.8 | 0 | 0 | 0 | 111.8 | ||||
| 2167 | E | 22.7 | Very low | 24.3 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 63% | 0.631 | 80% | 0.795 | S | S | * | * | trans | -128.7 | 154.7 | 152 | -78.3 | -158.3 | 129.4 | 0 | 0 | 110.5 | ||||
| 2168 | Q | 22.7 | Very low | 24.2 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -103.6 | 120.5 | -155.4 | -65.7 | 179.6 | 13.2 | 0 | 0 | 112.4 | ||||
| 2169 | T | 22 | Very low | 24.3 | Very low | 118 Ų | 118 | 153.3 Ų | 153.3 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | 3.2 | 116.2 | 141.2 | 53.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2170 | D | 23.7 | Very low | 24.3 | Very low | 155 Ų | 155 | 153 Ų | 153 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | -176.7 | 101.4 | 111.2 | -89.4 | -13.7 | 0 | 0 | 0 | 112.1 | |||||
| 2171 | E | 23.7 | Very low | 24.5 | Very low | 198 Ų | 198 | 154.4 Ų | 154.4 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | -176.4 | 164.5 | 116.7 | -97.5 | -173.1 | -174.7 | 0 | 0 | 110.9 | |||||
| 2172 | E | 23.2 | Very low | 24.6 | Very low | 205 Ų | 205 | 157.2 Ų | 157.2 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -87.9 | 131.5 | -158.9 | -57.2 | -179.8 | 129.3 | 0 | 0 | 114.4 | ||||
| 2173 | G | 23.3 | Very low | 24.6 | Very low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -166.4 | 65.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | W2175 | G2173-W2175 PolarHBondContact O-N 3.01Š| ||
| 2174 | D | 24.7 | Very low | 25 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | 19.2 | 81.3 | 164.7 | -80.8 | -14.7 | 0 | 0 | 0 | 120 | I2176 | D2174-I2176 PolarHBondContact O-N 3.3Š| ||
| 2175 | W | 22 | Very low | 25.6 | Very low | 234 Ų | 234 | 145.8 Ų | 145.8 | 89% | 0.886 | 75% | 0.753 | S | S | * | * | trans | 26 | 94.7 | 131.1 | -61.9 | 80.6 | 0 | 0 | 0 | 118.2 | G2173 | G2173-W2175 PolarHBondContact O-N 3.01Š| ||
| 2176 | I | 24.3 | Very low | 26.5 | Very low | 176 Ų | 176 | 144 Ų | 144 | 90% | 0.903 | 75% | 0.745 | S | S | * | * | trans | -115.6 | 109.9 | 150.9 | -63 | -177.1 | 0 | 0 | 0 | 108.2 | D2174 | D2174-I2176 PolarHBondContact O-N 3.3Š| ||
| 2177 | D | 24.9 | Very low | 27.1 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | -96.8 | 143.4 | -171.2 | -179 | 21.6 | 0 | 0 | 0 | 112.1 | ||||
| 2178 | G | 23.9 | Very low | 27.7 | Very low | 56 Ų | 56 | 137 Ų | 137 | 58% | 0.577 | 72% | 0.718 | S | S | * | * | trans | 99.9 | 126.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2179 | S | 26.2 | Very low | 28.4 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | 96.1 | 72.8 | 146.8 | 73.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2180 | L | 24.2 | Very low | 29.3 | Very low | 130 Ų | 130 | 132 Ų | 132 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | trans | -102.4 | -4.7 | 155.9 | -147.3 | 72.6 | 0 | 0 | 0 | 114.3 | K2182 L2183 | L2180-K2182 PolarHBondContact O-N 2.85Å; L2180-L2183 HydrophobicContact CD1-CD1 3.97Å; L2180-L2183 HydrophobicContact CD1-CG 4.43Å; L2180-L2183 HydrophobicContact CD2-CD1 4.27Å; L2180-L2183 HydrophobicContact CG-CD1 3.89Å; L2180-L2183 HydrophobicContact CG-CG 4.39Å | ||
| 2181 | D | 31.1 | Very low | 29.8 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 90% | 0.898 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 27.9 | 179.1 | -72.3 | -35.6 | 0 | 0 | 0 | 115.3 | ||
| 2182 | K | 30.8 | Very low | 30.2 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 80% | 0.796 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | 2.7 | 179.9 | -76.1 | -167.5 | 175.2 | 178.8 | 0 | 115.8 | L2180 T2184 | L2180-K2182 PolarHBondContact O-N 2.85Å; K2182-T2184 PolarHBondContact O-N 2.53Å; K2182-T2184 VanDerWaalsContact O-N 3.11Å |
| 2183 | L | 27.3 | Very low | 30.9 | Very low | 53 Ų | 53 | 120.2 Ų | 120.2 | 28% | 0.277 | 63% | 0.628 | S | S | . | * | trans | -66.7 | 111.1 | 170.1 | -63.9 | 177.5 | 0 | 0 | 0 | 109.6 | L2180 E2187 K2188 K2191 | L2180-L2183 HydrophobicContact CD1-CD1 3.97Å; L2180-L2183 HydrophobicContact CD1-CG 4.43Å; L2180-L2183 HydrophobicContact CD2-CD1 4.27Å; L2180-L2183 HydrophobicContact CG-CD1 3.89Å; L2180-L2183 HydrophobicContact CG-CG 4.39Å; L2183-E2187 HydrophobicContact CB-CB 4.26Å; L2183-E2187 HydrophobicContact CD2-CB 4.09Å; L2183-K2188 HydrophobicContact CB-CG 4.44Å; L2183-K2191 HydrophobicContact CD1-CD 4.35Å | ||
| 2184 | T | 34.5 | Very low | 31.7 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 46% | 0.46 | 61% | 0.608 | S | S | . | * | trans | -64.4 | 166.6 | 176.9 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | K2182 D2186 E2187 K2188 | K2182-T2184 PolarHBondContact O-N 2.53Å; K2182-T2184 VanDerWaalsContact O-N 3.11Å; T2184-D2186 PolarHBondContact O-N 2.73Å; T2184-E2187 WeakPolarHBondContact CB-OE2 3.41Å; T2184-E2187 PolarHBondContact N-OE2 2.82Å; T2184-E2187 PolarHBondContact O-N 3.47Å; T2184-E2187 VanDerWaalsContact O-N 3.1Å; T2184-E2187 WeakPolarHBondContact OG1-CG 3.29Å; T2184-E2187 PolarHBondContact OG1-N 3.3Å; T2184-E2187 PolarHBondContact OG1-OE2 3.12Å; T2184-K2188 PolarHBondContact O-N 3.32Å | ||
| 2185 | E | 37.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 119 Ų | 119 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.3 | -32.6 | 179.1 | -164.8 | -176.7 | -111.1 | 0 | 0 | 111.8 | K2188 K2189 | E2185-K2188 PolarHBondContact O-N 3.34Å; E2185-K2189 WeakPolarHBondContact O-CG 3.34Å; E2185-K2189 PolarHBondContact O-N 2.71Å; E2185-K2189 IonicContact OE2-NZ 3.43Å; E2185-K2189 PolarHBondContact OE2-NZ 3.07Å |
| 2186 | D | 40.7 | Very low | 33 | Very low | 105 Ų | 105 | 111.6 Ų | 111.6 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.7 | -34.2 | 175.3 | -58.9 | -40.1 | 0 | 0 | 0 | 112.1 | T2184 K2188 K2189 M2190 | T2184-D2186 PolarHBondContact O-N 2.73Å; D2186-K2188 VanDerWaalsContact C-N 3.32Å; D2186-K2188 PolarHBondContact O-N 2.72Å; D2186-K2189 PolarHBondContact O-N 2.88Å; D2186-K2189 IonicContact OD1-NZ 2.69Å; D2186-K2189 PolarHBondContact OD1-NZ 3.33Å; D2186-M2190 WeakPolarHBondContact O-CB 3.48Å; D2186-M2190 VanDerWaalsContact O-CG 3.27Å; D2186-M2190 WeakPolarHBondContact O-CG 3.36Å; D2186-M2190 PolarHBondContact O-N 2.91Å |
| 2187 | E | 36.2 | Very low | 33.6 | Very low | 86 Ų | 86 | 109.3 Ų | 109.3 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.8 | -27.8 | 170.1 | -71.1 | 164.5 | 120.1 | 0 | 0 | 112.7 | L2183 T2184 K2191 | L2183-E2187 HydrophobicContact CB-CB 4.26Å; L2183-E2187 HydrophobicContact CD2-CB 4.09Å; T2184-E2187 WeakPolarHBondContact CB-OE2 3.41Å; T2184-E2187 PolarHBondContact N-OE2 2.82Å; T2184-E2187 PolarHBondContact O-N 3.47Å; T2184-E2187 VanDerWaalsContact O-N 3.1Å; T2184-E2187 WeakPolarHBondContact OG1-CG 3.29Å; T2184-E2187 PolarHBondContact OG1-N 3.3Å; T2184-E2187 PolarHBondContact OG1-OE2 3.12Å; E2187-K2191 WeakPolarHBondContact O-CB 3.15Å; E2187-K2191 WeakPolarHBondContact O-CG 3.41Å; E2187-K2191 PolarHBondContact O-N 3.05Å |
| 2188 | K | 33.8 | Very low | 34.2 | Very low | 127 Ų | 127 | 110.4 Ų | 110.4 | 55% | 0.552 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.7 | -37.1 | 169.8 | -71.3 | -173.9 | 178.4 | -172.6 | 0 | 112.2 | L2183 T2184 E2185 D2186 K2191 M2192 | L2183-K2188 HydrophobicContact CB-CG 4.44Å; T2184-K2188 PolarHBondContact O-N 3.32Å; E2185-K2188 PolarHBondContact O-N 3.34Å; D2186-K2188 VanDerWaalsContact C-N 3.32Å; D2186-K2188 PolarHBondContact O-N 2.72Å; K2188-K2191 PolarHBondContact O-N 3.31Å; K2188-M2192 PolarHBondContact O-N 3.26Å |
| 2189 | K | 38.9 | Very low | 34.8 | Very low | 94 Ų | 94 | 109.1 Ų | 109.1 | 41% | 0.409 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 171.6 | -75.6 | 169.2 | -166.4 | 145.5 | 0 | 111.5 | E2185 D2186 M2192 L2193 | E2185-K2189 WeakPolarHBondContact O-CG 3.34Å; E2185-K2189 PolarHBondContact O-N 2.71Å; E2185-K2189 IonicContact OE2-NZ 3.43Å; E2185-K2189 PolarHBondContact OE2-NZ 3.07Å; D2186-K2189 PolarHBondContact O-N 2.88Å; D2186-K2189 IonicContact OD1-NZ 2.69Å; D2186-K2189 PolarHBondContact OD1-NZ 3.33Å; K2189-M2192 PolarHBondContact O-N 2.86Å; K2189-L2193 WeakPolarHBondContact O-CB 3.29Å; K2189-L2193 PolarHBondContact O-N 3.24Å |
| 2190 | M | 40.2 | Very low | 35.2 | Very low | 102 Ų | 102 | 105.4 Ų | 105.4 | 50% | 0.502 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.8 | -53.8 | 171.3 | -72.7 | -61.9 | -60.4 | 0 | 0 | 109.1 | D2186 M2192 L2193 D2194 | D2186-M2190 WeakPolarHBondContact O-CB 3.48Å; D2186-M2190 VanDerWaalsContact O-CG 3.27Å; D2186-M2190 WeakPolarHBondContact O-CG 3.36Å; D2186-M2190 PolarHBondContact O-N 2.91Å; M2190-M2192 VanDerWaalsContact C-N 3.26Å; M2190-M2192 PolarHBondContact O-N 3.02Å; M2190-M2192 VanDerWaalsContact O-N 3.12Å; M2190-L2193 CarbonylContact O-C 3.47Å; M2190-L2193 WeakPolarHBondContact O-CA 3.49Å; M2190-L2193 WeakPolarHBondContact O-CB 3.18Å; M2190-L2193 PolarHBondContact O-N 3.25Å; M2190-D2194 VanDerWaalsContact C-OD2 3.32Å; M2190-D2194 WeakPolarHBondContact O-CB 3.42Å; M2190-D2194 PolarHBondContact O-N 3.47Å |
| 2191 | K | 34.6 | Very low | 35.8 | Very low | 121 Ų | 121 | 100.3 Ų | 100.3 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -26.2 | 177.3 | -77.6 | -164.4 | 173.2 | -163 | 0 | 115.8 | L2183 E2187 K2188 D2194 Y2195 | L2183-K2191 HydrophobicContact CD1-CD 4.35Å; E2187-K2191 WeakPolarHBondContact O-CB 3.15Å; E2187-K2191 WeakPolarHBondContact O-CG 3.41Å; E2187-K2191 PolarHBondContact O-N 3.05Å; K2188-K2191 PolarHBondContact O-N 3.31Å; K2191-D2194 WeakPolarHBondContact CA-OD2 3.21Å; K2191-D2194 PolarHBondContact N-OD2 3.27Å; K2191-Y2195 VanDerWaalsContact O-CB 3.26Å; K2191-Y2195 WeakPolarHBondContact O-CB 3.47Å; K2191-Y2195 PolarHBondContact O-N 3.37Å |
| 2192 | M | 32.6 | Very low | 36.3 | Very low | 113 Ų | 113 | 94.3 Ų | 94.3 | 56% | 0.557 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -78.1 | -35.4 | 169.3 | -98 | -150 | -58.8 | 0 | 0 | 112.9 | K2188 K2189 M2190 Y2195 F2196 | K2188-M2192 PolarHBondContact O-N 3.26Å; K2189-M2192 PolarHBondContact O-N 2.86Å; M2190-M2192 VanDerWaalsContact C-N 3.26Å; M2190-M2192 PolarHBondContact O-N 3.02Å; M2190-M2192 VanDerWaalsContact O-N 3.12Å; M2192-Y2195 PolarHBondContact O-N 2.8Å; M2192-F2196 HydrophobicContact CB-CD2 4.42Å; M2192-F2196 HydrophobicContact CB-CE2 4.46Å; M2192-F2196 VanDerWaalsContact O-CB 3.31Å; M2192-F2196 WeakPolarHBondContact O-CB 3.27Å; M2192-F2196 WeakPolarHBondContact O-CD2 3.44Å; M2192-F2196 WeakPolarHBondContact O-CG 3.34Å; M2192-F2196 PolarHBondContact O-N 3.01Å; M2192-F2196 HydrophobicContact SD-CE2 4.01Å |
| 2193 | L | 38 | Very low | 36.8 | Very low | 76 Ų | 76 | 92.6 Ų | 92.6 | 40% | 0.398 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -50.3 | 172.4 | -81.6 | 159.8 | 0 | 0 | 0 | 110.5 | K2189 M2190 Y2195 F2196 E2197 | K2189-L2193 WeakPolarHBondContact O-CB 3.29Å; K2189-L2193 PolarHBondContact O-N 3.24Å; M2190-L2193 CarbonylContact O-C 3.47Å; M2190-L2193 WeakPolarHBondContact O-CA 3.49Å; M2190-L2193 WeakPolarHBondContact O-CB 3.18Å; M2190-L2193 PolarHBondContact O-N 3.25Å; L2193-Y2195 VanDerWaalsContact C-N 3.27Å; L2193-Y2195 PolarHBondContact O-N 3.42Å; L2193-F2196 CarbonylContact O-C 3.34Å; L2193-F2196 PolarHBondContact O-N 3.37Å; L2193-E2197 WeakPolarHBondContact O-CB 3.47Å; L2193-E2197 WeakPolarHBondContact O-CG 3.34Å; L2193-E2197 PolarHBondContact O-N 3.49Å |
| 2194 | D | 39.5 | Very low | 37.2 | Very low | 65 Ų | 65 | 91.3 Ų | 91.3 | 35% | 0.348 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -47.2 | -51 | 169 | -56.3 | -27.6 | 0 | 0 | 0 | 109.5 | M2190 K2191 E2197 E2198 | M2190-D2194 VanDerWaalsContact C-OD2 3.32Å; M2190-D2194 WeakPolarHBondContact O-CB 3.42Å; M2190-D2194 PolarHBondContact O-N 3.47Å; K2191-D2194 WeakPolarHBondContact CA-OD2 3.21Å; K2191-D2194 PolarHBondContact N-OD2 3.27Å; D2194-E2197 PolarHBondContact O-N 3.19Å; D2194-E2198 WeakPolarHBondContact O-CB 3.36Å; D2194-E2198 VanDerWaalsContact O-CG 3.28Å; D2194-E2198 WeakPolarHBondContact O-CG 3.37Å; D2194-E2198 PolarHBondContact O-N 2.76Å |
| 2195 | Y | 35.9 | Very low | 37.5 | Very low | 134 Ų | 134 | 92.8 Ų | 92.8 | 53% | 0.525 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.7 | -179.9 | -97.5 | 0 | 0 | 0 | 113.6 | K2191 M2192 L2193 E2197 S2199 | K2191-Y2195 VanDerWaalsContact O-CB 3.26Å; K2191-Y2195 WeakPolarHBondContact O-CB 3.47Å; K2191-Y2195 PolarHBondContact O-N 3.37Å; M2192-Y2195 PolarHBondContact O-N 2.8Å; L2193-Y2195 VanDerWaalsContact C-N 3.27Å; L2193-Y2195 PolarHBondContact O-N 3.42Å; Y2195-E2197 VanDerWaalsContact C-N 3.32Å; Y2195-E2197 PolarHBondContact O-N 2.59Å; Y2195-S2199 WeakPolarHBondContact O-CB 3.36Å; Y2195-S2199 PolarHBondContact O-N 2.69Å; Y2195-S2199 PolarHBondContact O-OG 3.02Å |
| 2196 | F | 37.1 | Very low | 37.7 | Very low | 79 Ų | 79 | 90.3 Ų | 90.3 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.5 | -20.6 | 178.7 | -78.9 | -53 | 0 | 0 | 0 | 113.5 | M2192 L2193 L2201 T2202 | M2192-F2196 HydrophobicContact CB-CD2 4.42Å; M2192-F2196 HydrophobicContact CB-CE2 4.46Å; M2192-F2196 VanDerWaalsContact O-CB 3.31Å; M2192-F2196 WeakPolarHBondContact O-CB 3.27Å; M2192-F2196 WeakPolarHBondContact O-CD2 3.44Å; M2192-F2196 WeakPolarHBondContact O-CG 3.34Å; M2192-F2196 PolarHBondContact O-N 3.01Å; M2192-F2196 HydrophobicContact SD-CE2 4.01Å; L2193-F2196 CarbonylContact O-C 3.34Å; L2193-F2196 PolarHBondContact O-N 3.37Å; F2196-L2201 HydrophobicContact CD1-CB 4.24Å; F2196-T2202 VanDerWaalsContact C-OG1 3.29Å; F2196-T2202 WeakPolarHBondContact CB-OG1 3.38Å; F2196-T2202 WeakPolarHBondContact O-CB 3.23Å; F2196-T2202 PolarHBondContact O-N 3.49Å; F2196-T2202 PolarHBondContact O-OG1 3.01Å |
| 2197 | E | 38.4 | Very low | 37.9 | Very low | 129 Ų | 129 | 90 Ų | 90 | 60% | 0.603 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -87.2 | -45.9 | 171.9 | -69.8 | -172.8 | 176.7 | 0 | 0 | 111.1 | L2193 D2194 Y2195 S2199 G2200 | L2193-E2197 WeakPolarHBondContact O-CB 3.47Å; L2193-E2197 WeakPolarHBondContact O-CG 3.34Å; L2193-E2197 PolarHBondContact O-N 3.49Å; D2194-E2197 PolarHBondContact O-N 3.19Å; Y2195-E2197 VanDerWaalsContact C-N 3.32Å; Y2195-E2197 PolarHBondContact O-N 2.59Å; E2197-S2199 VanDerWaalsContact C-N 3.34Å; E2197-S2199 PolarHBondContact O-N 2.75Å; E2197-G2200 PolarHBondContact O-N 3.19Å |
| 2198 | E | 36.8 | Very low | 38 | Very low | 172 Ų | 172 | 87.5 Ų | 87.5 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.4 | -33 | 175.3 | -73.8 | -173.8 | 155.8 | 0 | 0 | 112.9 | D2194 | D2194-E2198 WeakPolarHBondContact O-CB 3.36Å; D2194-E2198 VanDerWaalsContact O-CG 3.28Å; D2194-E2198 WeakPolarHBondContact O-CG 3.37Å; D2194-E2198 PolarHBondContact O-N 2.76Å |
| 2199 | S | 36.6 | Very low | 38.4 | Very low | 30 Ų | 30 | 83.2 Ų | 83.2 | 21% | 0.21 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5.1 | 177.5 | 65.2 | 0 | 0 | 0 | 0 | 114.8 | Y2195 E2197 L2201 | Y2195-S2199 WeakPolarHBondContact O-CB 3.36Å; Y2195-S2199 PolarHBondContact O-N 2.69Å; Y2195-S2199 PolarHBondContact O-OG 3.02Å; E2197-S2199 VanDerWaalsContact C-N 3.34Å; E2197-S2199 PolarHBondContact O-N 2.75Å; S2199-L2201 PolarHBondContact O-N 2.82Å |
| 2200 | G | 35.1 | Very low | 38.5 | Very low | 33 Ų | 33 | 84.3 Ų | 84.3 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | trans | 67.4 | -6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | E2197 T2202 E2203 | E2197-G2200 PolarHBondContact O-N 3.19Å; G2200-T2202 PolarHBondContact O-N 3.42Å; G2200-T2202 VanDerWaalsContact O-N 3.07Å; G2200-E2203 PolarHBondContact O-N 3.26Å | ||
| 2201 | L | 36.1 | Very low | 38.6 | Very low | 23 Ų | 23 | 82.9 Ų | 82.9 | 12% | 0.12 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.8 | -27.5 | -178.1 | -85.4 | 164.5 | 0 | 0 | 0 | 113.3 | T2126 F2196 S2199 E2203 M2204 M2205 | T2126-L2201 HydrophobicContact CG2-CD1 4.33Å; T2126-L2201 HydrophobicContact CG2-CG 4.23Å; F2196-L2201 HydrophobicContact CD1-CB 4.24Å; S2199-L2201 PolarHBondContact O-N 2.82Å; L2201-E2203 VanDerWaalsContact C-N 3.34Å; L2201-E2203 PolarHBondContact O-N 2.83Å; L2201-M2204 HydrophobicContact CD2-SD 4.44Å; L2201-M2204 PolarHBondContact O-N 2.86Å; L2201-M2205 PolarHBondContact O-N 3.45Å |
| 2202 | T | 41.9 | Very low | 38.6 | Very low | 42 Ų | 42 | 80.2 Ų | 80.2 | 26% | 0.258 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 174.6 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | F2196 G2200 K2206 | F2196-T2202 VanDerWaalsContact C-OG1 3.29Å; F2196-T2202 WeakPolarHBondContact CB-OG1 3.38Å; F2196-T2202 WeakPolarHBondContact O-CB 3.23Å; F2196-T2202 PolarHBondContact O-N 3.49Å; F2196-T2202 PolarHBondContact O-OG1 3.01Å; G2200-T2202 PolarHBondContact O-N 3.42Å; G2200-T2202 VanDerWaalsContact O-N 3.07Å; T2202-K2206 HydrophobicContact CG2-CD 4.21Å; T2202-K2206 WeakPolarHBondContact O-CB 3.44Å; T2202-K2206 VanDerWaalsContact O-CG 3.25Å; T2202-K2206 WeakPolarHBondContact O-CG 3.45Å; T2202-K2206 PolarHBondContact O-N 3.33Å |
| 2203 | E | 40.8 | Very low | 38.8 | Very low | 147 Ų | 147 | 76.5 Ų | 76.5 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -71.7 | -41.4 | 178.4 | -69.3 | -117.7 | 118 | 0 | 0 | 111.1 | G2200 L2201 M2205 K2206 K2207 | G2200-E2203 PolarHBondContact O-N 3.26Å; L2201-E2203 VanDerWaalsContact C-N 3.34Å; L2201-E2203 PolarHBondContact O-N 2.83Å; E2203-M2205 PolarHBondContact O-N 3.43Å; E2203-K2206 PolarHBondContact O-N 2.87Å; E2203-K2207 WeakPolarHBondContact O-CB 3.45Å; E2203-K2207 PolarHBondContact O-N 3.1Å |
| 2204 | M | 35.7 | Very low | 38.9 | Very low | 26 Ų | 26 | 78.9 Ų | 78.9 | 13% | 0.128 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 175.9 | -71.4 | -173.4 | 52.3 | 0 | 0 | 111.9 | N2020 W2121 L2201 K2207 A2208 | N2020-M2204 VanDerWaalsContact ND2-CE 3.34Å; N2020-M2204 WeakPolarHBondContact ND2-CE 3.38Å; N2020-M2204 PolarHBondContact ND2-SD 3.42Å; N2020-M2204 VanDerWaalsContact ND2-SD 3.4Å; N2020-M2204 WeakPolarHBondContact OD1-CE 3.49Å; W2121-M2204 HydrophobicContact CE3-CE 4.06Å; W2121-M2204 HydrophobicContact CZ3-CE 4.45Å; L2201-M2204 HydrophobicContact CD2-SD 4.44Å; L2201-M2204 PolarHBondContact O-N 2.86Å; M2204-K2207 PolarHBondContact O-N 3.11Å; M2204-A2208 WeakPolarHBondContact O-CB 3.43Å; M2204-A2208 PolarHBondContact O-N 3.33Å |
| 2205 | M | 41 | Very low | 38.9 | Very low | 106 Ų | 106 | 83.7 Ų | 83.7 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 177.8 | -70.4 | -167.2 | 71 | 0 | 0 | 112.5 | L2201 E2203 M2209 | L2201-M2205 PolarHBondContact O-N 3.45Å; E2203-M2205 PolarHBondContact O-N 3.43Å; M2205-M2209 WeakPolarHBondContact O-CB 3.48Å; M2205-M2209 VanDerWaalsContact O-CG 3.29Å; M2205-M2209 WeakPolarHBondContact O-CG 3.28Å; M2205-M2209 PolarHBondContact O-N 3.23Å |
| 2206 | K | 42.7 | Very low | 38.7 | Very low | 87 Ų | 87 | 86 Ų | 86 | 38% | 0.378 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58 | -55.3 | 171.1 | -79.6 | 169.6 | 179.9 | 170 | 0 | 110.7 | T2202 E2203 A2208 M2209 F2210 | T2202-K2206 HydrophobicContact CG2-CD 4.21Å; T2202-K2206 WeakPolarHBondContact O-CB 3.44Å; T2202-K2206 VanDerWaalsContact O-CG 3.25Å; T2202-K2206 WeakPolarHBondContact O-CG 3.45Å; T2202-K2206 PolarHBondContact O-N 3.33Å; E2203-K2206 PolarHBondContact O-N 2.87Å; K2206-A2208 PolarHBondContact O-N 3.14Å; K2206-M2209 PolarHBondContact O-N 2.82Å; K2206-M2209 VanDerWaalsContact O-N 3.16Å; K2206-F2210 VanDerWaalsContact O-CD2 3.24Å; K2206-F2210 WeakPolarHBondContact O-CD2 3.44Å; K2206-F2210 PolarHBondContact O-N 3.12Å |
| 2207 | K | 43.4 | Very low | 38.6 | Very low | 98 Ų | 98 | 86.2 Ų | 86.2 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | -176.2 | -158.4 | 173.6 | -180 | -173.9 | 0 | 111.4 | E2018 E2203 M2204 M2209 F2210 D2211 | E2018-K2207 IonicContact OE1-NZ 2.59Å; E2018-K2207 PolarHBondContact OE1-NZ 3.49Å; E2018-K2207 IonicContact OE2-NZ 3.86Å; E2018-K2207 PolarHBondContact OE2-NZ 2.9Å; E2203-K2207 WeakPolarHBondContact O-CB 3.45Å; E2203-K2207 PolarHBondContact O-N 3.1Å; M2204-K2207 PolarHBondContact O-N 3.11Å; K2207-M2209 VanDerWaalsContact C-N 3.35Å; K2207-M2209 PolarHBondContact O-N 3.39Å; K2207-F2210 PolarHBondContact O-N 2.92Å; K2207-D2211 PolarHBondContact O-N 3.01Å |
| 2208 | A | 38.3 | Very low | 38.2 | Very low | 33 Ų | 33 | 86.4 Ų | 86.4 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.1 | -31.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W2121 M2204 K2206 V2212 | W2121-A2208 HydrophobicContact CH2-CB 4.38Å; M2204-A2208 WeakPolarHBondContact O-CB 3.43Å; M2204-A2208 PolarHBondContact O-N 3.33Å; K2206-A2208 PolarHBondContact O-N 3.14Å; A2208-V2212 WeakPolarHBondContact O-CG2 3.4Å |
| 2209 | M | 42.5 | Very low | 38.2 | Very low | 37 Ų | 37 | 80.9 Ų | 80.9 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -75.7 | -33.8 | 173.7 | -73.7 | -178.5 | 70 | 0 | 0 | 112.6 | M2205 K2206 K2207 V2212 V2213 I2221 I2224 A2225 | M2205-M2209 WeakPolarHBondContact O-CB 3.48Å; M2205-M2209 VanDerWaalsContact O-CG 3.29Å; M2205-M2209 WeakPolarHBondContact O-CG 3.28Å; M2205-M2209 PolarHBondContact O-N 3.23Å; K2206-M2209 PolarHBondContact O-N 2.82Å; K2206-M2209 VanDerWaalsContact O-N 3.16Å; K2207-M2209 VanDerWaalsContact C-N 3.35Å; K2207-M2209 PolarHBondContact O-N 3.39Å; M2209-V2212 PolarHBondContact O-N 2.96Å; M2209-V2213 WeakPolarHBondContact O-CG2 3.27Å; M2209-V2213 PolarHBondContact O-N 3.25Å; M2209-V2213 VanDerWaalsContact O-N 3.07Å; M2209-I2221 HydrophobicContact CE-CG2 3.69Å; M2209-I2224 HydrophobicContact CE-CB 4.4Å; M2209-I2224 HydrophobicContact CE-CG2 4.32Å; M2209-A2225 HydrophobicContact CE-CB 3.94Å |
| 2210 | F | 42.1 | Very low | 38.1 | Very low | 118 Ų | 118 | 84 Ų | 84 | 52% | 0.518 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 174.9 | -86.8 | -70.3 | 0 | 0 | 0 | 112 | K2206 K2207 V2212 V2213 D2214 | K2206-F2210 VanDerWaalsContact O-CD2 3.24Å; K2206-F2210 WeakPolarHBondContact O-CD2 3.44Å; K2206-F2210 PolarHBondContact O-N 3.12Å; K2207-F2210 PolarHBondContact O-N 2.92Å; F2210-V2212 PolarHBondContact O-N 3.14Å; F2210-V2213 PolarHBondContact O-N 3.23Å; F2210-D2214 PolarHBondContact O-N 2.61Å |
| 2211 | D | 40.9 | Very low | 38.1 | Very low | 71 Ų | 71 | 85.6 Ų | 85.6 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.4 | -33.3 | 179.3 | -78.4 | -26.2 | 0 | 0 | 0 | 113.5 | K2207 K2215 | K2207-D2211 PolarHBondContact O-N 3.01Å; D2211-K2215 WeakPolarHBondContact O-CB 3.43Å; D2211-K2215 WeakPolarHBondContact O-CD 3.42Å; D2211-K2215 WeakPolarHBondContact O-CG 3.27Å; D2211-K2215 PolarHBondContact O-N 3.15Å |
| 2212 | V | 36.5 | Very low | 38.2 | Very low | 65 Ų | 65 | 86 Ų | 86 | 39% | 0.394 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -75 | -40.5 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | A2208 M2209 F2210 K2215 R2216 | A2208-V2212 WeakPolarHBondContact O-CG2 3.4Å; M2209-V2212 PolarHBondContact O-N 2.96Å; F2210-V2212 PolarHBondContact O-N 3.14Å; V2212-K2215 PolarHBondContact O-N 2.91Å; V2212-R2216 PolarHBondContact O-N 3.15Å |
| 2213 | V | 36.5 | Very low | 38.1 | Very low | 35 Ų | 35 | 87.6 Ų | 87.6 | 21% | 0.212 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 176.7 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | M2209 F2210 K2215 R2216 P2217 | M2209-V2213 WeakPolarHBondContact O-CG2 3.27Å; M2209-V2213 PolarHBondContact O-N 3.25Å; M2209-V2213 VanDerWaalsContact O-N 3.07Å; F2210-V2213 PolarHBondContact O-N 3.23Å; V2213-K2215 VanDerWaalsContact C-N 3.35Å; V2213-K2215 PolarHBondContact O-N 3.33Å; V2213-R2216 CarbonylContact O-C 3.56Å; V2213-R2216 PolarHBondContact O-N 2.96Å; V2213-P2217 VanDerWaalsContact O-CA 3.27Å; V2213-P2217 WeakPolarHBondContact O-CA 3.32Å; V2213-P2217 WeakPolarHBondContact O-CB 3.28Å; V2213-P2217 WeakPolarHBondContact O-CD 3.4Å; V2213-P2217 VanDerWaalsContact O-N 3.08Å |
| 2214 | D | 39.9 | Very low | 37.8 | Very low | 127 Ų | 127 | 85.2 Ų | 85.2 | 68% | 0.679 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.6 | -36.1 | 179.3 | -79.6 | 0 | 0 | 0 | 0 | 112 | F2210 | F2210-D2214 PolarHBondContact O-N 2.61Å |
| 2215 | K | 38.5 | Very low | 38 | Very low | 166 Ų | 166 | 85.1 Ų | 85.1 | 72% | 0.722 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -77.3 | -29.6 | 178.4 | -72.9 | 168.4 | -178.1 | 162.5 | 0 | 113.1 | D2211 V2212 V2213 | D2211-K2215 WeakPolarHBondContact O-CB 3.43Å; D2211-K2215 WeakPolarHBondContact O-CD 3.42Å; D2211-K2215 WeakPolarHBondContact O-CG 3.27Å; D2211-K2215 PolarHBondContact O-N 3.15Å; V2212-K2215 PolarHBondContact O-N 2.91Å; V2213-K2215 VanDerWaalsContact C-N 3.35Å; V2213-K2215 PolarHBondContact O-N 3.33Å |
| 2216 | R | 32.6 | Very low | 38.2 | Very low | 182 Ų | 182 | 85 Ų | 85 | 69% | 0.687 | 45% | 0.446 | S | S | * | . | trans | -148.5 | 83.5 | 175.2 | -67.6 | -166.8 | 179.1 | 165.2 | 4.9 | 113.7 | V2212 V2213 T2218 D2219 | V2212-R2216 PolarHBondContact O-N 3.15Å; V2213-R2216 CarbonylContact O-C 3.56Å; V2213-R2216 PolarHBondContact O-N 2.96Å; R2216-T2218 PolarHBondContact O-N 2.8Å; R2216-D2219 PolarHBondContact O-N 2.89Å | ||
| 2217 | P | 34 | Very low | 38.1 | Very low | 84 Ų | 84 | 84 Ų | 84 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 7.8 | -172.2 | 28.4 | -36.7 | 0 | 0 | 0 | 116.2 | V2213 | V2213-P2217 VanDerWaalsContact O-CA 3.27Å; V2213-P2217 WeakPolarHBondContact O-CA 3.32Å; V2213-P2217 WeakPolarHBondContact O-CB 3.28Å; V2213-P2217 WeakPolarHBondContact O-CD 3.4Å; V2213-P2217 VanDerWaalsContact O-N 3.08Å |
| 2218 | T | 30.9 | Very low | 37.8 | Very low | 133 Ų | 133 | 84.2 Ų | 84.2 | 82% | 0.816 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 3.6 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | R2216 | R2216-T2218 PolarHBondContact O-N 2.8Š|
| 2219 | D | 35.6 | Very low | 37.7 | Very low | 56 Ų | 56 | 86.6 Ų | 86.6 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -84.4 | 150.9 | -178.7 | -99.2 | -54.5 | 0 | 0 | 0 | 114 | R2216 I2221 S2222 | R2216-D2219 PolarHBondContact O-N 2.89Å; D2219-I2221 PolarHBondContact O-N 3.21Å; D2219-I2221 VanDerWaalsContact O-N 3.13Å; D2219-S2222 WeakPolarHBondContact O-CB 3.47Å; D2219-S2222 PolarHBondContact O-N 3.5Å; D2219-S2222 VanDerWaalsContact O-N 3.14Å; D2219-S2222 PolarHBondContact O-OG 2.7Å |
| 2220 | P | 36.2 | Very low | 37.8 | Very low | 94 Ų | 94 | 91.7 Ų | 91.7 | 61% | 0.61 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22 | 179.9 | -24.9 | 35.2 | 0 | 0 | 0 | 115 | S2222 S2223 | P2220-S2222 PolarHBondContact O-N 2.9Å; P2220-S2222 VanDerWaalsContact O-N 3.13Å; P2220-S2223 PolarHBondContact O-N 3.47Å; P2220-S2223 PolarHBondContact O-OG 2.92Å; P2220-S2223 VanDerWaalsContact O-OG 3.05Å |
| 2221 | I | 34.5 | Very low | 37.4 | Very low | 67 Ų | 67 | 91.8 Ų | 91.8 | 34% | 0.344 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.2 | -30.7 | 176.4 | -63 | 178.9 | 0 | 0 | 0 | 111 | M2209 D2219 S2223 I2224 A2225 | M2209-I2221 HydrophobicContact CE-CG2 3.69Å; D2219-I2221 PolarHBondContact O-N 3.21Å; D2219-I2221 VanDerWaalsContact O-N 3.13Å; I2221-S2223 VanDerWaalsContact C-N 3.31Å; I2221-S2223 PolarHBondContact O-N 3.48Å; I2221-I2224 PolarHBondContact O-N 3.34Å; I2221-A2225 PolarHBondContact O-N 2.86Å; I2221-A2225 VanDerWaalsContact O-N 3.09Å |
| 2222 | S | 38 | Very low | 37 | Very low | 32 Ų | 32 | 92 Ų | 92 | 22% | 0.224 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -60.9 | -30.6 | 175.6 | 69.2 | 0 | 0 | 0 | 0 | 114.2 | D2219 P2220 K2226 | D2219-S2222 WeakPolarHBondContact O-CB 3.47Å; D2219-S2222 PolarHBondContact O-N 3.5Å; D2219-S2222 VanDerWaalsContact O-N 3.14Å; D2219-S2222 PolarHBondContact O-OG 2.7Å; P2220-S2222 PolarHBondContact O-N 2.9Å; P2220-S2222 VanDerWaalsContact O-N 3.13Å; S2222-K2226 PolarHBondContact O-N 3.4Å |
| 2223 | S | 39.8 | Very low | 37 | Very low | 76 Ų | 76 | 94.9 Ų | 94.9 | 53% | 0.531 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.9 | -29.2 | 177.3 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | P2220 I2221 S2227 | P2220-S2223 PolarHBondContact O-N 3.47Å; P2220-S2223 PolarHBondContact O-OG 2.92Å; P2220-S2223 VanDerWaalsContact O-OG 3.05Å; I2221-S2223 VanDerWaalsContact C-N 3.31Å; I2221-S2223 PolarHBondContact O-N 3.48Å; S2223-S2227 WeakPolarHBondContact O-CB 3.39Å; S2223-S2227 PolarHBondContact O-N 3.16Å |
| 2224 | I | 35.2 | Very low | 37.1 | Very low | 97 Ų | 97 | 97 Ų | 97 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.5 | -45.6 | 172.5 | -57.2 | 177.3 | 0 | 0 | 0 | 109.3 | M2209 I2221 K2226 S2227 L2228 | M2209-I2224 HydrophobicContact CE-CB 4.4Å; M2209-I2224 HydrophobicContact CE-CG2 4.32Å; I2221-I2224 PolarHBondContact O-N 3.34Å; I2224-K2226 PolarHBondContact O-N 3.24Å; I2224-S2227 PolarHBondContact O-N 2.97Å; I2224-L2228 HydrophobicContact CG2-CD1 4.41Å; I2224-L2228 PolarHBondContact O-N 3.47Å; I2224-L2228 VanDerWaalsContact O-N 3.09Å |
| 2225 | A | 39.6 | Very low | 36.8 | Very low | 24 Ų | 24 | 97.7 Ų | 97.7 | 20% | 0.198 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M2209 I2221 L2228 L2229 | M2209-A2225 HydrophobicContact CE-CB 3.94Å; I2221-A2225 PolarHBondContact O-N 2.86Å; I2221-A2225 VanDerWaalsContact O-N 3.09Å; A2225-L2228 PolarHBondContact O-N 3.05Å; A2225-L2229 PolarHBondContact O-N 3Å; A2225-L2229 VanDerWaalsContact O-N 3.09Å |
| 2226 | K | 44.2 | Very low | 36.6 | Very low | 104 Ų | 104 | 95.8 Ų | 95.8 | 45% | 0.452 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 175.9 | -81.8 | 176.2 | 175.1 | 166.5 | 0 | 112.9 | S2222 I2224 L2228 L2229 E2230 | S2222-K2226 PolarHBondContact O-N 3.4Å; I2224-K2226 PolarHBondContact O-N 3.24Å; K2226-L2228 VanDerWaalsContact C-N 3.3Å; K2226-L2228 PolarHBondContact O-N 3.01Å; K2226-L2229 PolarHBondContact O-N 3.42Å; K2226-E2230 WeakPolarHBondContact O-CG 3.28Å; K2226-E2230 PolarHBondContact O-N 2.93Å |
| 2227 | S | 41.9 | Very low | 36.3 | Very low | 65 Ų | 65 | 96.2 Ų | 96.2 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 177.7 | -170.2 | 0 | 0 | 0 | 0 | 113.2 | S2223 I2224 Q2231 | S2223-S2227 WeakPolarHBondContact O-CB 3.39Å; S2223-S2227 PolarHBondContact O-N 3.16Å; I2224-S2227 PolarHBondContact O-N 2.97Å; S2227-Q2231 PolarHBondContact O-N 2.94Å |
| 2228 | L | 35.7 | Very low | 36.4 | Very low | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.6 | -40.7 | 174 | -72.4 | 166.7 | 0 | 0 | 0 | 111.7 | I2224 A2225 K2226 H2232 | I2224-L2228 HydrophobicContact CG2-CD1 4.41Å; I2224-L2228 PolarHBondContact O-N 3.47Å; I2224-L2228 VanDerWaalsContact O-N 3.09Å; A2225-L2228 PolarHBondContact O-N 3.05Å; K2226-L2228 VanDerWaalsContact C-N 3.3Å; K2226-L2228 PolarHBondContact O-N 3.01Å; L2228-H2232 PolarHBondContact O-N 3.24Å; L2228-H2232 VanDerWaalsContact O-N 3.1Å |
| 2229 | L | 36.8 | Very low | 36.7 | Very low | 84 Ų | 84 | 94.9 Ų | 94.9 | 44% | 0.44 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175 | -81.3 | 163.8 | 0 | 0 | 0 | 112.8 | A2225 K2226 Q2231 H2232 H2233 | A2225-L2229 PolarHBondContact O-N 3Å; A2225-L2229 VanDerWaalsContact O-N 3.09Å; K2226-L2229 PolarHBondContact O-N 3.42Å; L2229-Q2231 PolarHBondContact O-N 2.96Å; L2229-H2232 PolarHBondContact O-N 3.4Å; L2229-H2233 PolarHBondContact O-CD2 3.27Å; L2229-H2233 VanDerWaalsContact O-CD2 3.28Å; L2229-H2233 PolarHBondContact O-N 3.42Å |
| 2230 | E | 43.6 | Very low | 36.8 | Very low | 143 Ų | 143 | 97.1 Ų | 97.1 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -39.4 | 177.9 | -75.7 | 178 | -174.4 | 0 | 0 | 112 | K2226 S2234 | K2226-E2230 WeakPolarHBondContact O-CG 3.28Å; K2226-E2230 PolarHBondContact O-N 2.93Å; E2230-S2234 PolarHBondContact O-N 3.05Å |
| 2231 | Q | 34.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 97.3 Ų | 97.3 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 172.4 | -75.5 | -173.6 | -16 | 0 | 0 | 111.9 | S2227 L2229 H2233 S2234 Q2235 | S2227-Q2231 PolarHBondContact O-N 2.94Å; L2229-Q2231 PolarHBondContact O-N 2.96Å; Q2231-H2233 PolarHBondContact O-N 3.18Å; Q2231-S2234 WeakPolarHBondContact O-CA 3.34Å; Q2231-S2234 WeakPolarHBondContact O-CB 3.2Å; Q2231-S2234 PolarHBondContact O-N 3.43Å; Q2231-S2234 PolarHBondContact O-OG 3.07Å; Q2231-Q2235 PolarHBondContact O-N 3.42Å |
| 2232 | H | 32.7 | Very low | 36.9 | Very low | 75 Ų | 75 | 99.2 Ų | 99.2 | 35% | 0.347 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | -179.1 | -139.6 | -31.8 | 0 | 0 | 0 | 112.7 | L2228 L2229 S2234 Q2235 N2236 | L2228-H2232 PolarHBondContact O-N 3.24Å; L2228-H2232 VanDerWaalsContact O-N 3.1Å; L2229-H2232 PolarHBondContact O-N 3.4Å; H2232-S2234 PolarHBondContact O-N 3.05Å; H2232-Q2235 PolarHBondContact O-N 2.59Å; H2232-N2236 PolarHBondContact O-N 3.1Å |
| 2233 | H | 36.7 | Very low | 36.9 | Very low | 126 Ų | 126 | 103.7 Ų | 103.7 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.8 | -17.3 | 173.3 | -79.8 | -60.3 | 0 | 0 | 0 | 113.8 | L2229 Q2231 N2237 | L2229-H2233 PolarHBondContact O-CD2 3.27Å; L2229-H2233 VanDerWaalsContact O-CD2 3.28Å; L2229-H2233 PolarHBondContact O-N 3.42Å; Q2231-H2233 PolarHBondContact O-N 3.18Å; H2233-N2237 PolarHBondContact O-ND2 3.41Å |
| 2234 | S | 37.9 | Very low | 36.7 | Very low | 81 Ų | 81 | 105.6 Ų | 105.6 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -5 | 172.8 | 77.1 | 0 | 0 | 0 | 0 | 114.6 | E2230 Q2231 H2232 | E2230-S2234 PolarHBondContact O-N 3.05Å; Q2231-S2234 WeakPolarHBondContact O-CA 3.34Å; Q2231-S2234 WeakPolarHBondContact O-CB 3.2Å; Q2231-S2234 PolarHBondContact O-N 3.43Å; Q2231-S2234 PolarHBondContact O-OG 3.07Å; H2232-S2234 PolarHBondContact O-N 3.05Å |
| 2235 | Q | 33.4 | Very low | 36.8 | Very low | 141 Ų | 141 | 106.3 Ų | 106.3 | 66% | 0.659 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -17 | 174.9 | -71 | -175.7 | -48.8 | 0 | 0 | 113.8 | Q2231 H2232 | Q2231-Q2235 PolarHBondContact O-N 3.42Å; H2232-Q2235 PolarHBondContact O-N 2.59Å |
| 2236 | N | 34.2 | Very low | 36.5 | Very low | 126 Ų | 126 | 113.2 Ų | 113.2 | 67% | 0.674 | 58% | 0.58 | S | S | * | * | trans | -99.5 | 20 | 173.1 | -77.6 | -17.6 | 0 | 0 | 0 | 113.4 | H2232 | H2232-N2236 PolarHBondContact O-N 3.1Š| ||
| 2237 | N | 26.9 | Very low | 35.9 | Very low | 191 Ų | 191 | 114 Ų | 114 | 100% | 1.021 | 59% | 0.592 | S | S | * | * | trans | -130.4 | 0 | 165.6 | -74.4 | -76.1 | 0 | 0 | 0 | 109.3 | H2233 | H2233-N2237 PolarHBondContact O-ND2 3.41Š|
Retrieved 2,237 of 2,237 residues in 2131.2 ms
(Link to these results)