| 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 | 48.4 | Very low | 47.8 | Very low | 33 Ų | 33 | 81.1 Ų | 81.1 | 16% | 0.163 | 43% | 0.43 | C | S | . | . | 0 | -60.7 | 0 | -161.5 | -179.5 | -148.2 | 0 | 0 | 112.9 | T3 L4 V5 L20 F25 V27 P37 L53 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3Å; M1-L4 WeakPolarHBondContact O-CA 3.43Å; M1-L4 VanDerWaalsContact O-CB 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.32Å; M1-L4 PolarHBondContact O-N 3.42Å; M1-V5 PolarHBondContact O-N 2.68Å; M1-L20 HydrophobicContact CE-CD2 3.04Å; M1-L20 HydrophobicContact CE-CG 3.9Å; M1-F25 HydrophobicContact SD-CB 4.4Å; M1-V27 HydrophobicContact CE-CG1 3.89Å; M1-P37 HydrophobicContact CG-CB 4.47Å; M1-P37 HydrophobicContact CG-CG 4.02Å; M1-P37 HydrophobicContact SD-CB 4.16Å; M1-P37 HydrophobicContact SD-CG 3.42Å; M1-P37 WeakPolarHBondContact SD-CG 3.24Å; M1-L53 HydrophobicContact CE-CD2 4.1Å | |||
| 2 | L | 47.9 | Very low | 48.3 | Very low | 23 Ų | 23 | 76 Ų | 76 | 12% | 0.12 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.5 | -37.9 | 178 | -85.2 | 127.5 | 0 | 0 | 0 | 113.7 | L4 K6 T29 N31 P37 E40 | L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.06Å; L2-K6 WeakPolarHBondContact O-CB 3.35Å; L2-K6 VanDerWaalsContact O-CG 3.27Å; L2-K6 WeakPolarHBondContact O-CG 3.47Å; L2-K6 PolarHBondContact O-N 3.22Å; L2-T29 WeakPolarHBondContact CD1-O 3.41Å; L2-N31 HydrophobicContact CD1-CB 3.72Å; L2-N31 HydrophobicContact CD2-CB 3.98Å; L2-N31 HydrophobicContact CG-CB 4.34Å; L2-P37 HydrophobicContact CG-CG 4.46Å; L2-E40 HydrophobicContact CD2-CB 4.13Å |
| 3 | T | 49.4 | Very low | 48.3 | Very low | 100 Ų | 100 | 72.4 Ų | 72.4 | 61% | 0.613 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.3 | -28.5 | 174.6 | -30.7 | 0 | 0 | 0 | 0 | 113.5 | M1 K6 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3Å; T3-K6 WeakPolarHBondContact O-CB 3.33Å |
| 4 | L | 49.7 | Very low | 48.7 | Very low | 60 Ų | 60 | 77.4 Ų | 77.4 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -79.3 | -46.2 | 178.1 | -104.7 | 153.5 | 0 | 0 | 0 | 110.7 | M1 L2 K6 R7 S8 F19 | M1-L4 WeakPolarHBondContact O-CA 3.43Å; M1-L4 VanDerWaalsContact O-CB 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.32Å; M1-L4 PolarHBondContact O-N 3.42Å; L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.06Å; L4-K6 PolarHBondContact O-N 2.7Å; L4-R7 PolarHBondContact O-N 3.14Å; L4-S8 PolarHBondContact O-N 2.78Å; L4-F19 HydrophobicContact CD1-CG 4.48Å; L4-F19 HydrophobicContact CD2-CD2 4.34Å; L4-F19 HydrophobicContact CD2-CE2 4.48Å |
| 5 | V | 51.3 | Low | 49.2 | Very low | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57 | -34.7 | 168.1 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | M1 R7 S8 L16 P37 E40 R44 V49 | M1-V5 PolarHBondContact O-N 2.68Å; V5-R7 PolarHBondContact O-N 2.85Å; V5-S8 PolarHBondContact O-N 3.11Å; V5-S8 PolarHBondContact O-OG 3.3Å; V5-S8 VanDerWaalsContact O-OG 3.08Å; V5-L16 HydrophobicContact CG2-CD1 4Å; V5-P37 HydrophobicContact CG2-CB 4.33Å; V5-E40 HydrophobicContact CG1-CB 4.34Å; V5-E40 HydrophobicContact CG1-CG 4.04Å; V5-R44 PolarHBondContact O-NH1 3.5Å; V5-V49 HydrophobicContact CG1-CG1 4.33Å |
| 6 | K | 51.8 | Low | 49.6 | Very low | 114 Ų | 114 | 76.4 Ų | 76.4 | 50% | 0.496 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.8 | 176.4 | -85.2 | -177.2 | 178.7 | -172.4 | 0 | 114.4 | L2 T3 L4 R44 | L2-K6 WeakPolarHBondContact O-CB 3.35Å; L2-K6 VanDerWaalsContact O-CG 3.27Å; L2-K6 WeakPolarHBondContact O-CG 3.47Å; L2-K6 PolarHBondContact O-N 3.22Å; T3-K6 WeakPolarHBondContact O-CB 3.33Å; L4-K6 PolarHBondContact O-N 2.7Å; K6-R44 VanDerWaalsContact CA-CZ 3.48Å; K6-R44 VanDerWaalsContact CA-NH2 3.25Å; K6-R44 PolarHBondContact O-NH1 3.17Å; K6-R44 PolarHBondContact O-NH2 3.22Å |
| 7 | R | 47.1 | Very low | 49.9 | Very low | 213 Ų | 213 | 77 Ų | 77 | 80% | 0.804 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 0.2 | -173.7 | -74.5 | -177.5 | 170.6 | 170.3 | -2.2 | 114.1 | L4 V5 S9 | L4-R7 PolarHBondContact O-N 3.14Å; V5-R7 PolarHBondContact O-N 2.85Å; R7-S9 PolarHBondContact O-N 2.96Å |
| 8 | S | 47.9 | Very low | 49.9 | Very low | 11 Ų | 11 | 81.8 Ų | 81.8 | 8% | 0.077 | 40% | 0.402 | C | S | . | . | trans | -84.7 | 106.2 | -169.6 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | L4 V5 S12 | L4-S8 PolarHBondContact O-N 2.78Å; V5-S8 PolarHBondContact O-N 3.11Å; V5-S8 PolarHBondContact O-OG 3.3Å; V5-S8 VanDerWaalsContact O-OG 3.08Å; S8-S12 VanDerWaalsContact CA-CB 3.43Å; S8-S12 WeakPolarHBondContact CA-OG 3.32Å; S8-S12 WeakPolarHBondContact CB-OG 3.36Å | ||
| 9 | S | 43.1 | Very low | 49.9 | Very low | 96 Ų | 96 | 82.2 Ų | 82.2 | 67% | 0.671 | 40% | 0.401 | S | S | * | . | trans | -107.6 | 139.9 | 158.7 | 57.1 | 0 | 0 | 0 | 0 | 109.9 | R7 E11 S12 | R7-S9 PolarHBondContact O-N 2.96Å; S9-E11 PolarHBondContact O-N 3.3Å; S9-S12 WeakPolarHBondContact O-CB 3.18Å; S9-S12 PolarHBondContact O-N 3.31Å | ||
| 10 | G | 45.3 | Very low | 50 | Low | 60 Ų | 60 | 79.1 Ų | 79.1 | 62% | 0.619 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 35.8 | -85.1 | 167 | 0 | 0 | 0 | 0 | 0 | 117.6 | S12 L13 | G10-S12 PolarHBondContact O-N 3.15Å; G10-S12 VanDerWaalsContact O-N 3.15Å; G10-L13 WeakPolarHBondContact O-CB 3.46Å; G10-L13 PolarHBondContact O-N 3.43Å; G10-L13 VanDerWaalsContact O-N 3.1Å |
| 11 | E | 44.6 | Very low | 50 | Low | 182 Ų | 182 | 79.3 Ų | 79.3 | 85% | 0.85 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.4 | 178.2 | -71 | -171 | 152.7 | 0 | 0 | 114.3 | S9 L13 | S9-E11 PolarHBondContact O-N 3.3Å; E11-L13 VanDerWaalsContact C-N 3.26Å; E11-L13 PolarHBondContact O-N 3.32Å |
| 12 | S | 53.3 | Low | 49.9 | Very low | 20 Ų | 20 | 83.2 Ų | 83.2 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -73 | -12.5 | 176.5 | -176.3 | 0 | 0 | 0 | 0 | 113.8 | S8 S9 G10 K15 L16 | S8-S12 VanDerWaalsContact CA-CB 3.43Å; S8-S12 WeakPolarHBondContact CA-OG 3.32Å; S8-S12 WeakPolarHBondContact CB-OG 3.36Å; S9-S12 WeakPolarHBondContact O-CB 3.18Å; S9-S12 PolarHBondContact O-N 3.31Å; G10-S12 PolarHBondContact O-N 3.15Å; G10-S12 VanDerWaalsContact O-N 3.15Å; S12-K15 WeakPolarHBondContact O-CB 3.25Å; S12-K15 PolarHBondContact O-N 3.39Å; S12-L16 WeakPolarHBondContact O-CB 3.47Å; S12-L16 PolarHBondContact O-N 3.41Å |
| 13 | L | 47.9 | Very low | 49.7 | Very low | 29 Ų | 29 | 83 Ų | 83 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70 | -39.6 | -177.4 | -168.7 | 75.5 | 0 | 0 | 0 | 111.9 | G10 E11 K15 L16 R17 E48 V49 A52 | G10-L13 WeakPolarHBondContact O-CB 3.46Å; G10-L13 PolarHBondContact O-N 3.43Å; G10-L13 VanDerWaalsContact O-N 3.1Å; E11-L13 VanDerWaalsContact C-N 3.26Å; E11-L13 PolarHBondContact O-N 3.32Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 2.69Å; L13-L16 HydrophobicContact CD1-CD2 4.5Å; L13-L16 PolarHBondContact O-N 2.71Å; L13-R17 WeakPolarHBondContact O-CG 3.42Å; L13-R17 PolarHBondContact O-N 3.04Å; L13-E48 HydrophobicContact CD1-CB 4.19Å; L13-E48 HydrophobicContact CD2-CB 4.01Å; L13-V49 HydrophobicContact CD1-CG2 3.93Å; L13-A52 HydrophobicContact CD1-CB 4.49Å |
| 14 | H | 54.3 | Low | 49.4 | Very low | 143 Ų | 143 | 82.1 Ų | 82.1 | 66% | 0.662 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 172.6 | -73.1 | -63 | 0 | 0 | 0 | 111.6 | R18 | H14-R18 WeakPolarHBondContact O-CB 3.48Å; H14-R18 PolarHBondContact O-N 2.98Å |
| 15 | K | 55.7 | Low | 49.6 | Very low | 135 Ų | 135 | 84.2 Ų | 84.2 | 59% | 0.587 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 172.4 | -71.9 | -179.8 | -179.6 | 173.9 | 0 | 110.7 | S12 L13 R18 F19 | S12-K15 WeakPolarHBondContact O-CB 3.25Å; S12-K15 PolarHBondContact O-N 3.39Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 2.69Å; K15-R18 PolarHBondContact O-N 2.99Å; K15-F19 HydrophobicContact CB-CD2 4.31Å; K15-F19 WeakPolarHBondContact O-CB 3.1Å; K15-F19 WeakPolarHBondContact O-CD2 3.44Å; K15-F19 PolarHBondContact O-N 3.49Å |
| 16 | L | 56.9 | Low | 50.2 | Low | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | 178.9 | -172.9 | 76.2 | 0 | 0 | 0 | 111.8 | V5 S12 L13 R18 F19 L20 V49 | V5-L16 HydrophobicContact CG2-CD1 4Å; S12-L16 WeakPolarHBondContact O-CB 3.47Å; S12-L16 PolarHBondContact O-N 3.41Å; L13-L16 HydrophobicContact CD1-CD2 4.5Å; L13-L16 PolarHBondContact O-N 2.71Å; L16-R18 VanDerWaalsContact C-N 3.35Å; L16-R18 PolarHBondContact O-N 3.07Å; L16-F19 PolarHBondContact O-N 3.02Å; L16-L20 HydrophobicContact CD2-CD1 4.37Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CD1 3.4Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.26Å; L16-V49 HydrophobicContact CD2-CB 4.48Å; L16-V49 HydrophobicContact CD2-CG1 3.77Å; L16-V49 HydrophobicContact CD2-CG2 4.19Å |
| 17 | R | 54.3 | Low | 51.2 | Low | 86 Ų | 86 | 81.5 Ų | 81.5 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 176.1 | -73.4 | -176.7 | 176.3 | -119.1 | -0.3 | 111.7 | L13 C21 A52 E55 F56 | L13-R17 WeakPolarHBondContact O-CG 3.42Å; L13-R17 PolarHBondContact O-N 3.04Å; R17-C21 WeakPolarHBondContact O-CB 3.43Å; R17-C21 PolarHBondContact O-N 2.91Å; R17-C21 VanDerWaalsContact O-N 3.11Å; R17-C21 PolarHBondContact O-SG 3.39Å; R17-C21 VanDerWaalsContact O-SG 3.4Å; R17-A52 HydrophobicContact CG-CB 4.36Å; R17-E55 IonicContact CZ-OE1 3.66Å; R17-E55 IonicContact CZ-OE2 2.73Å; R17-E55 VanDerWaalsContact CZ-OE2 3.22Å; R17-E55 IonicContact NH1-OE1 3.85Å; R17-E55 IonicContact NH1-OE2 2.96Å; R17-E55 PolarHBondContact NH1-OE2 3.18Å; R17-E55 IonicContact NH2-OE1 2.71Å; R17-E55 PolarHBondContact NH2-OE1 3.09Å; R17-E55 IonicContact NH2-OE2 3.77Å; R17-E55 PolarHBondContact NH2-OE2 3.13Å; R17-F56 HydrophobicContact CG-CE2 4.45Å |
| 18 | R | 49 | Very low | 52.7 | Low | 164 Ų | 164 | 74 Ų | 74 | 62% | 0.619 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.1 | -51.6 | 172.1 | -86.6 | -172.2 | 178.4 | 138.2 | -0.6 | 111.9 | H14 K15 L16 L20 C21 E22 | H14-R18 WeakPolarHBondContact O-CB 3.48Å; H14-R18 PolarHBondContact O-N 2.98Å; K15-R18 PolarHBondContact O-N 2.99Å; L16-R18 VanDerWaalsContact C-N 3.35Å; L16-R18 PolarHBondContact O-N 3.07Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.39Å; R18-C21 CarbonylContact O-C 3.58Å; R18-C21 WeakPolarHBondContact O-CA 3.2Å; R18-C21 WeakPolarHBondContact O-CB 3.21Å; R18-C21 PolarHBondContact O-N 3.04Å; R18-E22 WeakPolarHBondContact O-CB 3Å; R18-E22 VanDerWaalsContact O-CG 3.24Å; R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 2.87Å |
| 19 | F | 50.4 | Low | 54.3 | Low | 88 Ų | 88 | 76.6 Ų | 76.6 | 39% | 0.386 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -36.2 | 179.5 | -89 | -68.2 | 0 | 0 | 0 | 113 | L4 K15 L16 A23 | L4-F19 HydrophobicContact CD1-CG 4.48Å; L4-F19 HydrophobicContact CD2-CD2 4.34Å; L4-F19 HydrophobicContact CD2-CE2 4.48Å; K15-F19 HydrophobicContact CB-CD2 4.31Å; K15-F19 WeakPolarHBondContact O-CB 3.1Å; K15-F19 WeakPolarHBondContact O-CD2 3.44Å; K15-F19 PolarHBondContact O-N 3.49Å; L16-F19 PolarHBondContact O-N 3.02Å; F19-A23 PolarHBondContact O-N 3.46Å |
| 20 | L | 52.7 | Low | 56.1 | Low | 20 Ų | 20 | 76.8 Ų | 76.8 | 11% | 0.105 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 172.9 | -86.4 | 159.9 | 0 | 0 | 0 | 112.5 | M1 L16 R18 V27 L53 F56 | M1-L20 HydrophobicContact CE-CD2 3.04Å; M1-L20 HydrophobicContact CE-CG 3.9Å; L16-L20 HydrophobicContact CD2-CD1 4.37Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CD1 3.4Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.26Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.39Å; L20-V27 HydrophobicContact CD2-CG1 3.64Å; L20-L53 HydrophobicContact CD1-CD2 4.31Å; L20-F56 HydrophobicContact CB-CD1 4.29Å; L20-F56 HydrophobicContact CB-CD2 3.98Å; L20-F56 HydrophobicContact CB-CE1 4Å; L20-F56 HydrophobicContact CB-CE2 3.7Å; L20-F56 HydrophobicContact CB-CG 4.29Å; L20-F56 HydrophobicContact CB-CZ 3.71Å; L20-F56 HydrophobicContact CD1-CD2 3.56Å; L20-F56 HydrophobicContact CD1-CE2 3.71Å; L20-F56 HydrophobicContact CD1-CG 4.35Å; L20-F56 HydrophobicContact CD2-CB 4.39Å; L20-F56 HydrophobicContact CD2-CD2 4.2Å; L20-F56 HydrophobicContact CD2-CG 4.2Å; L20-F56 HydrophobicContact CG-CD2 4.13Å; L20-F56 HydrophobicContact CG-CE2 4.23Å |
| 21 | C | 49.9 | Very low | 57.6 | Low | 85 Ų | 85 | 75.9 Ų | 75.9 | 57% | 0.574 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -74.8 | -34.3 | 175.8 | -77.3 | 0 | 0 | 0 | 0 | 113.5 | R17 R18 F56 | R17-C21 WeakPolarHBondContact O-CB 3.43Å; R17-C21 PolarHBondContact O-N 2.91Å; R17-C21 VanDerWaalsContact O-N 3.11Å; R17-C21 PolarHBondContact O-SG 3.39Å; R17-C21 VanDerWaalsContact O-SG 3.4Å; R18-C21 CarbonylContact O-C 3.58Å; R18-C21 WeakPolarHBondContact O-CA 3.2Å; R18-C21 WeakPolarHBondContact O-CB 3.21Å; R18-C21 PolarHBondContact O-N 3.04Å; C21-F56 VanDerWaalsContact SG-CE1 3.59Å; C21-F56 VanDerWaalsContact SG-CZ 3.52Å |
| 22 | E | 45 | Very low | 59.3 | Low | 114 Ų | 114 | 74.1 Ų | 74.1 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -91.7 | -35.3 | -168.1 | -74 | 168 | -175.4 | 0 | 0 | 112.8 | R18 | R18-E22 WeakPolarHBondContact O-CB 3Å; R18-E22 VanDerWaalsContact O-CG 3.24Å; R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 2.87Å |
| 23 | A | 43.4 | Very low | 60.5 | Low | 20 Ų | 20 | 75.1 Ų | 75.1 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -117.4 | 121.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | F19 F25 | F19-A23 PolarHBondContact O-N 3.46Å; A23-F25 HydrophobicContact CB-CD2 3.35Å; A23-F25 HydrophobicContact CB-CE2 3.15Å; A23-F25 HydrophobicContact CB-CG 4.43Å; A23-F25 HydrophobicContact CB-CZ 4.1Å; A23-F25 WeakPolarHBondContact O-CD2 3.4Å; A23-F25 PolarHBondContact O-N 3.07Å |
| 24 | G | 44.4 | Very low | 62.2 | Low | 81 Ų | 81 | 73.9 Ų | 73.9 | 84% | 0.835 | 40% | 0.401 | S | S | * | . | trans | -66.1 | 45.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 25 | F | 54.6 | Low | 63.7 | Low | 104 Ų | 104 | 67.4 Ų | 67.4 | 46% | 0.456 | 37% | 0.371 | S | S | . | . | trans | -64.4 | 135.4 | 173.7 | -70.2 | -70 | 0 | 0 | 0 | 110.2 | M1 A23 V27 | M1-F25 HydrophobicContact SD-CB 4.4Å; A23-F25 HydrophobicContact CB-CD2 3.35Å; A23-F25 HydrophobicContact CB-CE2 3.15Å; A23-F25 HydrophobicContact CB-CG 4.43Å; A23-F25 HydrophobicContact CB-CZ 4.1Å; A23-F25 WeakPolarHBondContact O-CD2 3.4Å; A23-F25 PolarHBondContact O-N 3.07Å; F25-V27 PolarHBondContact O-N 3.45Å; F25-V27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | G | 62.1 | Low | 65.2 | Low | 38 Ų | 38 | 61 Ų | 61 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | trans | -66.7 | 111.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N28 T29 | G26-N28 PolarHBondContact O-N 3.07Å; G26-T29 WeakPolarHBondContact O-CB 3.37Å; G26-T29 WeakPolarHBondContact O-CG2 3.48Å; G26-T29 PolarHBondContact O-N 3.03Å; G26-T29 VanDerWaalsContact O-N 3.1Å; G26-T29 PolarHBondContact O-OG1 2.9Å | ||
| 27 | V | 74.5 | Confident | 66.4 | Low | 18 Ų | 18 | 60.8 Ų | 60.8 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -20.4 | 173.2 | -100.9 | 0 | 0 | 0 | 0 | 113.7 | M1 L20 F25 P37 L53 F56 | M1-V27 HydrophobicContact CE-CG1 3.89Å; L20-V27 HydrophobicContact CD2-CG1 3.64Å; F25-V27 PolarHBondContact O-N 3.45Å; F25-V27 VanDerWaalsContact O-N 3.13Å; V27-P37 VanDerWaalsContact O-CD 3.3Å; V27-P37 WeakPolarHBondContact O-CD 3.32Å; V27-P37 WeakPolarHBondContact O-CG 3.3Å; V27-L53 HydrophobicContact CG1-CD2 4.2Å; V27-F56 HydrophobicContact CG1-CB 3.9Å |
| 28 | N | 78.2 | Confident | 67.8 | Low | 56 Ų | 56 | 56.7 Ų | 56.7 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 17.9 | -176.4 | -68 | -22.2 | 0 | 0 | 0 | 113.9 | G26 Q30 A58 D59 I62 | G26-N28 PolarHBondContact O-N 3.07Å; N28-Q30 PolarHBondContact O-N 3.21Å; N28-A58 WeakPolarHBondContact OD1-CA 3.34Å; N28-D59 WeakPolarHBondContact ND2-CB 3.37Å; N28-D59 PolarHBondContact OD1-N 3.16Å; N28-I62 HydrophobicContact CB-CD1 3.51Å |
| 29 | T | 80.1 | Confident | 69.4 | Low | 66 Ų | 66 | 48.9 Ų | 48.9 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | trans | -70.3 | 122.8 | -179.4 | 43.3 | 0 | 0 | 0 | 0 | 112.1 | L2 G26 P37 | L2-T29 WeakPolarHBondContact CD1-O 3.41Å; G26-T29 WeakPolarHBondContact O-CB 3.37Å; G26-T29 WeakPolarHBondContact O-CG2 3.48Å; G26-T29 PolarHBondContact O-N 3.03Å; G26-T29 VanDerWaalsContact O-N 3.1Å; G26-T29 PolarHBondContact O-OG1 2.9Å; T29-P37 VanDerWaalsContact O-CD 3.31Å; T29-P37 WeakPolarHBondContact O-CD 3.4Å | ||
| 30 | Q | 82.2 | Confident | 70.9 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 47% | 0.467 | 28% | 0.284 | S | S | . | . | trans | -84.4 | 142.5 | -179.7 | -66.5 | -179.3 | -59.3 | 0 | 0 | 112.2 | N28 G34 D35 T36 I62 Q63 | N28-Q30 PolarHBondContact O-N 3.21Å; Q30-G34 WeakPolarHBondContact CG-O 3.48Å; Q30-G34 PolarHBondContact NE2-O 3.09Å; Q30-D35 CarbonylContact C-O 3.53Å; Q30-D35 WeakPolarHBondContact CA-O 3.34Å; Q30-T36 HydrophobicContact CG-CG2 3.91Å; Q30-I62 HydrophobicContact CG-CG2 4.17Å; Q30-Q63 PolarHBondContact NE2-O 3.02Å | ||
| 31 | N | 77.2 | Confident | 72.3 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 21% | 0.214 | 28% | 0.279 | C | S | . | . | trans | -81.2 | -174.8 | 169.9 | 71.5 | 9.2 | 0 | 0 | 0 | 111.9 | L2 A33 G34 D35 | L2-N31 HydrophobicContact CD1-CB 3.72Å; L2-N31 HydrophobicContact CD2-CB 3.98Å; L2-N31 HydrophobicContact CG-CB 4.34Å; N31-A33 PolarHBondContact O-N 3.1Å; N31-A33 VanDerWaalsContact O-N 3.15Å; N31-A33 VanDerWaalsContact OD1-CA 3.28Å; N31-A33 WeakPolarHBondContact OD1-CA 3.35Å; N31-A33 WeakPolarHBondContact OD1-CB 3.48Å; N31-A33 PolarHBondContact OD1-N 3.16Å; N31-G34 PolarHBondContact O-N 3.18Å; N31-G34 PolarHBondContact OD1-N 3.23Å; N31-G34 VanDerWaalsContact OD1-N 3.13Å; N31-D35 PolarHBondContact N-O 2.78Å; N31-D35 WeakPolarHBondContact OD1-CB 3.28Å; N31-D35 PolarHBondContact OD1-N 3.08Å | ||
| 32 | T | 79.8 | Confident | 73.9 | Confident | 145 Ų | 145 | 40.9 Ų | 40.9 | 89% | 0.89 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.6 | 176.8 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | N65 | T32-N65 PolarHBondContact O-ND2 3.45Š|
| 33 | A | 78.4 | Confident | 75.5 | Confident | 42 Ų | 42 | 38.8 Ų | 38.8 | 35% | 0.347 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 3.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | N31 D35 N65 | N31-A33 PolarHBondContact O-N 3.1Å; N31-A33 VanDerWaalsContact O-N 3.15Å; N31-A33 VanDerWaalsContact OD1-CA 3.28Å; N31-A33 WeakPolarHBondContact OD1-CA 3.35Å; N31-A33 WeakPolarHBondContact OD1-CB 3.48Å; N31-A33 PolarHBondContact OD1-N 3.16Å; A33-D35 PolarHBondContact O-N 3.02Å; A33-N65 VanDerWaalsContact C-CG 3.43Å; A33-N65 VanDerWaalsContact C-ND2 3.28Å; A33-N65 VanDerWaalsContact O-CB 3.27Å; A33-N65 WeakPolarHBondContact O-CB 3.44Å; A33-N65 VanDerWaalsContact O-CG 3.3Å; A33-N65 PolarHBondContact O-N 3.35Å |
| 34 | G | 83.4 | Confident | 77 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 78.7 | 2.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q30 N31 N64 N65 | Q30-G34 WeakPolarHBondContact CG-O 3.48Å; Q30-G34 PolarHBondContact NE2-O 3.09Å; N31-G34 PolarHBondContact O-N 3.18Å; N31-G34 PolarHBondContact OD1-N 3.23Å; N31-G34 VanDerWaalsContact OD1-N 3.13Å; G34-N64 WeakPolarHBondContact O-CA 3.37Å; G34-N64 WeakPolarHBondContact O-CB 3.47Å; G34-N65 WeakPolarHBondContact CA-OD1 3.32Å; G34-N65 PolarHBondContact N-ND2 3.02Å |
| 35 | D | 86.1 | Confident | 78.6 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -78.6 | 130.3 | -177.5 | -62.9 | -46.4 | 0 | 0 | 0 | 111 | Q30 N31 A33 H39 K43 N64 | Q30-D35 CarbonylContact C-O 3.53Å; Q30-D35 WeakPolarHBondContact CA-O 3.34Å; N31-D35 PolarHBondContact N-O 2.78Å; N31-D35 WeakPolarHBondContact OD1-CB 3.28Å; N31-D35 PolarHBondContact OD1-N 3.08Å; A33-D35 PolarHBondContact O-N 3.02Å; D35-H39 HydrophobicContact CB-CB 3.75Å; D35-H39 IonicContact OD1-CD2 3.22Å; D35-K43 WeakPolarHBondContact OD1-CE 3.46Å; D35-K43 IonicContact OD1-NZ 3.83Å; D35-K43 PolarHBondContact OD1-NZ 3.22Å; D35-K43 IonicContact OD2-NZ 3.82Å; D35-K43 PolarHBondContact OD2-NZ 3.47Å; D35-N64 WeakPolarHBondContact OD1-CB 3.48Å; D35-N64 PolarHBondContact OD1-ND2 2.91Å | ||
| 36 | T | 86.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -77 | 165.3 | 166.6 | 71.9 | 0 | 0 | 0 | 0 | 110.6 | Q30 L38 H39 E40 I62 | Q30-T36 HydrophobicContact CG-CG2 3.91Å; T36-L38 PolarHBondContact O-N 3.39Å; T36-L38 VanDerWaalsContact O-N 3.11Å; T36-L38 PolarHBondContact OG1-N 2.83Å; T36-H39 PolarHBondContact N-ND1 3.26Å; T36-H39 VanDerWaalsContact N-ND1 3.11Å; T36-H39 WeakPolarHBondContact O-CB 3.4Å; T36-H39 PolarHBondContact O-N 2.95Å; T36-H39 PolarHBondContact OG1-N 3.13Å; T36-H39 PolarHBondContact OG1-ND1 3.08Å; T36-E40 PolarHBondContact O-N 3.32Å; T36-E40 VanDerWaalsContact O-N 3.17Å; T36-I62 HydrophobicContact CG2-CB 3.96Å; T36-I62 HydrophobicContact CG2-CD1 3.99Å; T36-I62 HydrophobicContact CG2-CG2 3.58Å | ||
| 37 | P | 82.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -51.2 | -32.9 | 170.7 | -26.8 | 34.1 | 0 | 0 | 0 | 113.1 | M1 L2 V5 V27 T29 E40 A41 L53 | M1-P37 HydrophobicContact CG-CB 4.47Å; M1-P37 HydrophobicContact CG-CG 4.02Å; M1-P37 HydrophobicContact SD-CB 4.16Å; M1-P37 HydrophobicContact SD-CG 3.42Å; M1-P37 WeakPolarHBondContact SD-CG 3.24Å; L2-P37 HydrophobicContact CG-CG 4.46Å; V5-P37 HydrophobicContact CG2-CB 4.33Å; V27-P37 VanDerWaalsContact O-CD 3.3Å; V27-P37 WeakPolarHBondContact O-CD 3.32Å; V27-P37 WeakPolarHBondContact O-CG 3.3Å; T29-P37 VanDerWaalsContact O-CD 3.31Å; T29-P37 WeakPolarHBondContact O-CD 3.4Å; P37-E40 PolarHBondContact O-N 2.93Å; P37-A41 WeakPolarHBondContact O-CB 3.46Å; P37-A41 PolarHBondContact O-N 2.95Å; P37-L53 HydrophobicContact CB-CD1 3.88Å; P37-L53 HydrophobicContact CB-CD2 4.03Å; P37-L53 WeakPolarHBondContact O-CD1 3.27Å |
| 38 | L | 83.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 177.4 | -173.4 | 65.6 | 0 | 0 | 0 | 111.9 | T36 E40 A41 I42 V50 L53 A58 W60 C70 | T36-L38 PolarHBondContact O-N 3.39Å; T36-L38 VanDerWaalsContact O-N 3.11Å; T36-L38 PolarHBondContact OG1-N 2.83Å; L38-E40 VanDerWaalsContact C-N 3.29Å; L38-E40 PolarHBondContact O-N 3.26Å; L38-A41 PolarHBondContact O-N 3.15Å; L38-I42 HydrophobicContact CD1-CD1 4.35Å; L38-I42 HydrophobicContact CG-CD1 3.99Å; L38-I42 VanDerWaalsContact O-CG1 3.31Å; L38-I42 WeakPolarHBondContact O-CG1 3.46Å; L38-I42 PolarHBondContact O-N 3.47Å; L38-V50 HydrophobicContact CD1-CB 4.49Å; L38-V50 HydrophobicContact CD1-CG1 4.06Å; L38-V50 HydrophobicContact CD1-CG2 4.46Å; L38-L53 HydrophobicContact CB-CD1 4.43Å; L38-L53 HydrophobicContact CD1-CB 4.21Å; L38-L53 HydrophobicContact CD1-CD1 4.48Å; L38-A58 HydrophobicContact CB-CB 4.23Å; L38-A58 HydrophobicContact CD2-CB 4.09Å; L38-W60 HydrophobicContact CD1-CZ2 4.38Å; L38-W60 HydrophobicContact CD2-CB 4.46Å; L38-W60 HydrophobicContact CD2-CD2 3.84Å; L38-W60 HydrophobicContact CD2-CG 3.74Å; L38-W60 HydrophobicContact CD2-CZ2 4.43Å; L38-C70 HydrophobicContact CD2-CB 3.86Å; L38-C70 HydrophobicContact CG-CB 4.21Å |
| 39 | H | 83.9 | Confident | 80 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.6 | -45.4 | 172.9 | -70.6 | 82.2 | 0 | 0 | 0 | 111.1 | D35 T36 I42 K43 I62 F68 C70 L73 | D35-H39 HydrophobicContact CB-CB 3.75Å; D35-H39 IonicContact OD1-CD2 3.22Å; T36-H39 PolarHBondContact N-ND1 3.26Å; T36-H39 VanDerWaalsContact N-ND1 3.11Å; T36-H39 WeakPolarHBondContact O-CB 3.4Å; T36-H39 PolarHBondContact O-N 2.95Å; T36-H39 PolarHBondContact OG1-N 3.13Å; T36-H39 PolarHBondContact OG1-ND1 3.08Å; H39-I42 PolarHBondContact O-N 3.5Å; H39-K43 WeakPolarHBondContact O-CB 3.25Å; H39-K43 VanDerWaalsContact O-CG 3.27Å; H39-K43 WeakPolarHBondContact O-CG 3.37Å; H39-K43 PolarHBondContact O-N 3.36Å; H39-I62 PolarHBondContact CE1-O 2.95Å; H39-I62 PolarHBondContact NE2-O 2.93Å; H39-F68 PolarHBondContact NE2-O 3.46Å; H39-C70 PolarHBondContact CE1-SG 3.01Å; H39-C70 VanDerWaalsContact CG-SG 3.54Å; H39-C70 PolarHBondContact ND1-SG 3.02Å; H39-L73 WeakPolarHBondContact CD2-CD1 3.38Å |
| 40 | E | 81.5 | Confident | 80 | Confident | 24 Ų | 24 | 38 Ų | 38 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 179.7 | -174.1 | 68.1 | -157.7 | 0 | 0 | 111.5 | L2 V5 T36 P37 L38 K43 R44 | L2-E40 HydrophobicContact CD2-CB 4.13Å; V5-E40 HydrophobicContact CG1-CB 4.34Å; V5-E40 HydrophobicContact CG1-CG 4.04Å; T36-E40 PolarHBondContact O-N 3.32Å; T36-E40 VanDerWaalsContact O-N 3.17Å; P37-E40 PolarHBondContact O-N 2.93Å; L38-E40 VanDerWaalsContact C-N 3.29Å; L38-E40 PolarHBondContact O-N 3.26Å; E40-K43 PolarHBondContact O-N 3.32Å; E40-R44 WeakPolarHBondContact O-CD 3.48Å; E40-R44 VanDerWaalsContact O-CG 3.3Å; E40-R44 WeakPolarHBondContact O-CG 3.35Å; E40-R44 PolarHBondContact O-N 2.9Å; E40-R44 VanDerWaalsContact O-N 3.12Å; E40-R44 IonicContact OE1-CZ 2.81Å; E40-R44 IonicContact OE1-NE 2.97Å; E40-R44 PolarHBondContact OE1-NE 3.2Å; E40-R44 IonicContact OE1-NH2 3.64Å; E40-R44 PolarHBondContact OE1-NH2 3.07Å |
| 41 | A | 81.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P37 L38 R44 G45 D46 V49 V50 L53 | P37-A41 WeakPolarHBondContact O-CB 3.46Å; P37-A41 PolarHBondContact O-N 2.95Å; L38-A41 PolarHBondContact O-N 3.15Å; A41-R44 PolarHBondContact O-N 2.97Å; A41-G45 PolarHBondContact O-N 3.39Å; A41-D46 PolarHBondContact O-N 2.99Å; A41-D46 VanDerWaalsContact O-N 3.16Å; A41-V49 HydrophobicContact CB-CB 4.16Å; A41-V49 HydrophobicContact CB-CG1 3.75Å; A41-V50 HydrophobicContact CB-CG2 3.69Å; A41-L53 HydrophobicContact CB-CD1 4Å |
| 42 | I | 83 | Confident | 79.6 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68 | -42.3 | 176.3 | -66 | 169.5 | 0 | 0 | 0 | 111.2 | L38 H39 R44 G45 V50 W60 C70 L73 I79 | L38-I42 HydrophobicContact CD1-CD1 4.35Å; L38-I42 HydrophobicContact CG-CD1 3.99Å; L38-I42 VanDerWaalsContact O-CG1 3.31Å; L38-I42 WeakPolarHBondContact O-CG1 3.46Å; L38-I42 PolarHBondContact O-N 3.47Å; H39-I42 PolarHBondContact O-N 3.5Å; I42-R44 PolarHBondContact O-N 3.1Å; I42-G45 PolarHBondContact O-N 3.28Å; I42-V50 HydrophobicContact CG1-CG2 3.87Å; I42-W60 HydrophobicContact CD1-CE3 4.49Å; I42-W60 HydrophobicContact CD1-CH2 4.25Å; I42-W60 HydrophobicContact CD1-CZ3 4.02Å; I42-C70 HydrophobicContact CD1-CB 3.57Å; I42-L73 HydrophobicContact CG2-CB 3.93Å; I42-I79 HydrophobicContact CG2-CD1 4.18Å |
| 43 | K | 78.5 | Confident | 79.6 | Confident | 71 Ų | 71 | 26 Ų | 26 | 31% | 0.309 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59 | -29.5 | 174.6 | -76.9 | 178.4 | -171.5 | -176.4 | 0 | 112.7 | D35 H39 E40 L73 R77 | D35-K43 WeakPolarHBondContact OD1-CE 3.46Å; D35-K43 IonicContact OD1-NZ 3.83Å; D35-K43 PolarHBondContact OD1-NZ 3.22Å; D35-K43 IonicContact OD2-NZ 3.82Å; D35-K43 PolarHBondContact OD2-NZ 3.47Å; H39-K43 WeakPolarHBondContact O-CB 3.25Å; H39-K43 VanDerWaalsContact O-CG 3.27Å; H39-K43 WeakPolarHBondContact O-CG 3.37Å; H39-K43 PolarHBondContact O-N 3.36Å; E40-K43 PolarHBondContact O-N 3.32Å; K43-L73 HydrophobicContact CG-CD2 4.44Å; K43-R77 PolarHBondContact O-NH1 3.15Å; K43-R77 PolarHBondContact O-NH2 2.97Å |
| 44 | R | 76.7 | Confident | 79.5 | Confident | 89 Ų | 89 | 26.3 Ų | 26.3 | 34% | 0.336 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -82.9 | -26.2 | 174.9 | -70.1 | 163.2 | -177.3 | -111.6 | -21.8 | 113.4 | V5 K6 E40 A41 I42 D46 | V5-R44 PolarHBondContact O-NH1 3.5Å; K6-R44 VanDerWaalsContact CA-CZ 3.48Å; K6-R44 VanDerWaalsContact CA-NH2 3.25Å; K6-R44 PolarHBondContact O-NH1 3.17Å; K6-R44 PolarHBondContact O-NH2 3.22Å; E40-R44 WeakPolarHBondContact O-CD 3.48Å; E40-R44 VanDerWaalsContact O-CG 3.3Å; E40-R44 WeakPolarHBondContact O-CG 3.35Å; E40-R44 PolarHBondContact O-N 2.9Å; E40-R44 VanDerWaalsContact O-N 3.12Å; E40-R44 IonicContact OE1-CZ 2.81Å; E40-R44 IonicContact OE1-NE 2.97Å; E40-R44 PolarHBondContact OE1-NE 3.2Å; E40-R44 IonicContact OE1-NH2 3.64Å; E40-R44 PolarHBondContact OE1-NH2 3.07Å; A41-R44 PolarHBondContact O-N 2.97Å; I42-R44 PolarHBondContact O-N 3.1Å; R44-D46 VanDerWaalsContact C-N 3.32Å; R44-D46 HydrophobicContact CB-CB 4.4Å |
| 45 | G | 76 | Confident | 79 | Confident | 32 Ų | 32 | 29.9 Ų | 29.9 | 33% | 0.33 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 18.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.2 | A41 I42 L47 | A41-G45 PolarHBondContact O-N 3.39Å; I42-G45 PolarHBondContact O-N 3.28Å; G45-L47 PolarHBondContact O-N 3Å |
| 46 | D | 76.7 | Confident | 78.3 | Confident | 60 Ų | 60 | 31.8 Ų | 31.8 | 32% | 0.321 | 16% | 0.16 | S | C | . | . | trans | -77.4 | 83.5 | 179.6 | -82.3 | -36.9 | 0 | 0 | 0 | 110.7 | A41 R44 E48 V49 V50 | A41-D46 PolarHBondContact O-N 2.99Å; A41-D46 VanDerWaalsContact O-N 3.16Å; R44-D46 VanDerWaalsContact C-N 3.32Å; R44-D46 HydrophobicContact CB-CB 4.4Å; D46-E48 PolarHBondContact O-N 2.84Å; D46-E48 VanDerWaalsContact O-N 3.16Å; D46-V49 HydrophobicContact CB-CB 4.04Å; D46-V49 HydrophobicContact CB-CG2 4.06Å; D46-V49 PolarHBondContact O-N 2.89Å; D46-V49 VanDerWaalsContact O-N 3.1Å; D46-V50 WeakPolarHBondContact O-CG2 3.42Å; D46-V50 PolarHBondContact O-N 3.21Å | ||
| 47 | L | 76 | Confident | 77.7 | Confident | 59 Ų | 59 | 34 Ų | 34 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -52.7 | -36.4 | 179.7 | -71.2 | 169 | 0 | 0 | 0 | 112.9 | G45 V50 N51 I79 K82 | G45-L47 PolarHBondContact O-N 3Å; L47-V50 PolarHBondContact O-N 2.75Å; L47-N51 WeakPolarHBondContact O-CB 3.41Å; L47-N51 PolarHBondContact O-N 3.29Å; L47-N51 PolarHBondContact O-ND2 3.19Å; L47-I79 HydrophobicContact CD2-CB 4.42Å; L47-I79 HydrophobicContact CD2-CG1 4.36Å; L47-I79 HydrophobicContact CD2-CG2 3.68Å; L47-K82 HydrophobicContact CD1-CB 4.47Å |
| 48 | E | 72.1 | Confident | 77.6 | Confident | 119 Ų | 119 | 34.4 Ų | 34.4 | 56% | 0.556 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -68.1 | -38.8 | -179.8 | -64.6 | -177.3 | 173.9 | 0 | 0 | 112.9 | L13 D46 A52 | L13-E48 HydrophobicContact CD1-CB 4.19Å; L13-E48 HydrophobicContact CD2-CB 4.01Å; D46-E48 PolarHBondContact O-N 2.84Å; D46-E48 VanDerWaalsContact O-N 3.16Å; E48-A52 WeakPolarHBondContact O-CB 3.4Å; E48-A52 PolarHBondContact O-N 3.42Å |
| 49 | V | 75.2 | Confident | 77.3 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.5 | -38.3 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | V5 L13 L16 A41 D46 A52 L53 | V5-V49 HydrophobicContact CG1-CG1 4.33Å; L13-V49 HydrophobicContact CD1-CG2 3.93Å; L16-V49 HydrophobicContact CD2-CB 4.48Å; L16-V49 HydrophobicContact CD2-CG1 3.77Å; L16-V49 HydrophobicContact CD2-CG2 4.19Å; A41-V49 HydrophobicContact CB-CB 4.16Å; A41-V49 HydrophobicContact CB-CG1 3.75Å; D46-V49 HydrophobicContact CB-CB 4.04Å; D46-V49 HydrophobicContact CB-CG2 4.06Å; D46-V49 PolarHBondContact O-N 2.89Å; D46-V49 VanDerWaalsContact O-N 3.1Å; V49-A52 PolarHBondContact O-N 3.13Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.21Å; V49-L53 WeakPolarHBondContact O-CB 3.48Å; V49-L53 VanDerWaalsContact O-CG 3.3Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.06Å |
| 50 | V | 79.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -47.7 | 172.2 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | L38 A41 I42 D46 L47 L53 T54 W60 I83 | L38-V50 HydrophobicContact CD1-CB 4.49Å; L38-V50 HydrophobicContact CD1-CG1 4.06Å; L38-V50 HydrophobicContact CD1-CG2 4.46Å; A41-V50 HydrophobicContact CB-CG2 3.69Å; I42-V50 HydrophobicContact CG1-CG2 3.87Å; D46-V50 WeakPolarHBondContact O-CG2 3.42Å; D46-V50 PolarHBondContact O-N 3.21Å; L47-V50 PolarHBondContact O-N 2.75Å; V50-L53 PolarHBondContact O-N 3.49Å; V50-T54 VanDerWaalsContact O-CB 3.3Å; V50-T54 WeakPolarHBondContact O-CB 3.49Å; V50-T54 PolarHBondContact O-N 3.21Å; V50-T54 PolarHBondContact O-OG1 3.32Å; V50-W60 HydrophobicContact CG1-CH2 4.1Å; V50-W60 HydrophobicContact CG1-CZ2 3.95Å; V50-I83 HydrophobicContact CG1-CD1 4.4Å |
| 51 | N | 77.3 | Confident | 77.3 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.8 | -73.5 | -16.4 | 0 | 0 | 0 | 111.3 | L47 T54 E55 | L47-N51 WeakPolarHBondContact O-CB 3.41Å; L47-N51 PolarHBondContact O-N 3.29Å; L47-N51 PolarHBondContact O-ND2 3.19Å; N51-T54 PolarHBondContact O-N 3.04Å; N51-E55 WeakPolarHBondContact O-CB 3.26Å; N51-E55 VanDerWaalsContact O-CG 3.29Å; N51-E55 WeakPolarHBondContact O-CG 3.4Å; N51-E55 PolarHBondContact O-N 3.26Å |
| 52 | A | 73.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -49.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L13 R17 E48 V49 T54 E55 F56 | L13-A52 HydrophobicContact CD1-CB 4.49Å; R17-A52 HydrophobicContact CG-CB 4.36Å; E48-A52 WeakPolarHBondContact O-CB 3.4Å; E48-A52 PolarHBondContact O-N 3.42Å; V49-A52 PolarHBondContact O-N 3.13Å; A52-T54 VanDerWaalsContact C-N 3.28Å; A52-T54 PolarHBondContact O-N 3.01Å; A52-E55 WeakPolarHBondContact O-CB 3.42Å; A52-E55 PolarHBondContact O-N 3.48Å; A52-F56 WeakPolarHBondContact O-CD2 3.18Å; A52-F56 PolarHBondContact O-N 3.33Å |
| 53 | L | 79.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -37 | 178.9 | -72.1 | 171.3 | 0 | 0 | 0 | 112.2 | M1 L20 V27 P37 L38 A41 V49 V50 F56 G57 A58 | M1-L53 HydrophobicContact CE-CD2 4.1Å; L20-L53 HydrophobicContact CD1-CD2 4.31Å; V27-L53 HydrophobicContact CG1-CD2 4.2Å; P37-L53 HydrophobicContact CB-CD1 3.88Å; P37-L53 HydrophobicContact CB-CD2 4.03Å; P37-L53 WeakPolarHBondContact O-CD1 3.27Å; L38-L53 HydrophobicContact CB-CD1 4.43Å; L38-L53 HydrophobicContact CD1-CB 4.21Å; L38-L53 HydrophobicContact CD1-CD1 4.48Å; A41-L53 HydrophobicContact CB-CD1 4Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.21Å; V49-L53 WeakPolarHBondContact O-CB 3.48Å; V49-L53 VanDerWaalsContact O-CG 3.3Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.06Å; V50-L53 PolarHBondContact O-N 3.49Å; L53-F56 CarbonylContact O-C 3.59Å; L53-F56 PolarHBondContact O-N 3.27Å; L53-G57 PolarHBondContact O-N 3.25Å; L53-A58 HydrophobicContact CB-CB 3.98Å; L53-A58 WeakPolarHBondContact O-CB 3.32Å; L53-A58 PolarHBondContact O-N 3.01Å |
| 54 | T | 77.9 | Confident | 77.8 | Confident | 49 Ų | 49 | 46 Ų | 46 | 30% | 0.301 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 175.2 | -51 | 0 | 0 | 0 | 0 | 111.3 | V50 N51 A52 F56 G57 | V50-T54 VanDerWaalsContact O-CB 3.3Å; V50-T54 WeakPolarHBondContact O-CB 3.49Å; V50-T54 PolarHBondContact O-N 3.21Å; V50-T54 PolarHBondContact O-OG1 3.32Å; N51-T54 PolarHBondContact O-N 3.04Å; A52-T54 VanDerWaalsContact C-N 3.28Å; A52-T54 PolarHBondContact O-N 3.01Å; T54-F56 PolarHBondContact O-N 3.45Å; T54-G57 PolarHBondContact O-N 2.82Å |
| 55 | E | 71 | Confident | 78.2 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.9 | -35 | 170.7 | -75.7 | 169.7 | -158 | 0 | 0 | 111.6 | R17 N51 A52 G57 | R17-E55 IonicContact CZ-OE1 3.66Å; R17-E55 IonicContact CZ-OE2 2.73Å; R17-E55 VanDerWaalsContact CZ-OE2 3.22Å; R17-E55 IonicContact NH1-OE1 3.85Å; R17-E55 IonicContact NH1-OE2 2.96Å; R17-E55 PolarHBondContact NH1-OE2 3.18Å; R17-E55 IonicContact NH2-OE1 2.71Å; R17-E55 PolarHBondContact NH2-OE1 3.09Å; R17-E55 IonicContact NH2-OE2 3.77Å; R17-E55 PolarHBondContact NH2-OE2 3.13Å; N51-E55 WeakPolarHBondContact O-CB 3.26Å; N51-E55 VanDerWaalsContact O-CG 3.29Å; N51-E55 WeakPolarHBondContact O-CG 3.4Å; N51-E55 PolarHBondContact O-N 3.26Å; A52-E55 WeakPolarHBondContact O-CB 3.42Å; A52-E55 PolarHBondContact O-N 3.48Å; E55-G57 VanDerWaalsContact C-N 3.33Å |
| 56 | F | 72.4 | Confident | 78.5 | Confident | 48 Ų | 48 | 52 Ų | 52 | 21% | 0.211 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.7 | 176.8 | -74.4 | -75.1 | 0 | 0 | 0 | 114.5 | R17 L20 C21 V27 A52 L53 T54 | R17-F56 HydrophobicContact CG-CE2 4.45Å; L20-F56 HydrophobicContact CB-CD1 4.29Å; L20-F56 HydrophobicContact CB-CD2 3.98Å; L20-F56 HydrophobicContact CB-CE1 4Å; L20-F56 HydrophobicContact CB-CE2 3.7Å; L20-F56 HydrophobicContact CB-CG 4.29Å; L20-F56 HydrophobicContact CB-CZ 3.71Å; L20-F56 HydrophobicContact CD1-CD2 3.56Å; L20-F56 HydrophobicContact CD1-CE2 3.71Å; L20-F56 HydrophobicContact CD1-CG 4.35Å; L20-F56 HydrophobicContact CD2-CB 4.39Å; L20-F56 HydrophobicContact CD2-CD2 4.2Å; L20-F56 HydrophobicContact CD2-CG 4.2Å; L20-F56 HydrophobicContact CG-CD2 4.13Å; L20-F56 HydrophobicContact CG-CE2 4.23Å; C21-F56 VanDerWaalsContact SG-CE1 3.59Å; C21-F56 VanDerWaalsContact SG-CZ 3.52Å; V27-F56 HydrophobicContact CG1-CB 3.9Å; A52-F56 WeakPolarHBondContact O-CD2 3.18Å; A52-F56 PolarHBondContact O-N 3.33Å; L53-F56 CarbonylContact O-C 3.59Å; L53-F56 PolarHBondContact O-N 3.27Å; T54-F56 PolarHBondContact O-N 3.45Å |
| 57 | G | 73.1 | Confident | 78.7 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 49% | 0.485 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 31.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | L53 T54 E55 D59 | L53-G57 PolarHBondContact O-N 3.25Å; T54-G57 PolarHBondContact O-N 2.82Å; E55-G57 VanDerWaalsContact C-N 3.33Å; G57-D59 PolarHBondContact O-N 3.41Å |
| 58 | A | 81.1 | Confident | 79 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | trans | -59.8 | 133.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N28 L38 L53 | N28-A58 WeakPolarHBondContact OD1-CA 3.34Å; L38-A58 HydrophobicContact CB-CB 4.23Å; L38-A58 HydrophobicContact CD2-CB 4.09Å; L53-A58 HydrophobicContact CB-CB 3.98Å; L53-A58 WeakPolarHBondContact O-CB 3.32Å; L53-A58 PolarHBondContact O-N 3.01Å | ||
| 59 | D | 77.2 | Confident | 79.5 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | trans | -86.6 | 121.6 | -177.7 | -171.4 | -9.5 | 0 | 0 | 0 | 110.3 | N28 G57 S61 I62 | N28-D59 WeakPolarHBondContact ND2-CB 3.37Å; N28-D59 PolarHBondContact OD1-N 3.16Å; G57-D59 PolarHBondContact O-N 3.41Å; D59-S61 VanDerWaalsContact C-N 3.33Å; D59-S61 VanDerWaalsContact CG-OG 3.29Å; D59-S61 WeakPolarHBondContact OD1-CB 3.26Å; D59-S61 PolarHBondContact OD1-N 3.33Å; D59-S61 PolarHBondContact OD1-OG 2.91Å; D59-S61 PolarHBondContact OD2-OG 2.92Å; D59-I62 HydrophobicContact CB-CD1 3.85Å; D59-I62 HydrophobicContact CB-CG1 4.07Å | ||
| 60 | W | 85.5 | Confident | 79.8 | Confident | 42 Ų | 42 | 47 Ų | 47 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.3 | -178.4 | -73.6 | 64.3 | 0 | 0 | 0 | 113.1 | L38 I42 V50 C70 N71 I83 | L38-W60 HydrophobicContact CD1-CZ2 4.38Å; L38-W60 HydrophobicContact CD2-CB 4.46Å; L38-W60 HydrophobicContact CD2-CD2 3.84Å; L38-W60 HydrophobicContact CD2-CG 3.74Å; L38-W60 HydrophobicContact CD2-CZ2 4.43Å; I42-W60 HydrophobicContact CD1-CE3 4.49Å; I42-W60 HydrophobicContact CD1-CH2 4.25Å; I42-W60 HydrophobicContact CD1-CZ3 4.02Å; V50-W60 HydrophobicContact CG1-CH2 4.1Å; V50-W60 HydrophobicContact CG1-CZ2 3.95Å; W60-C70 HydrophobicContact CB-CB 4.28Å; W60-C70 HydrophobicContact CD2-CB 4.28Å; W60-C70 HydrophobicContact CE3-CB 3.93Å; W60-C70 HydrophobicContact CG-CB 4.47Å; W60-C70 WeakPolarHBondContact O-CB 3.34Å; W60-C70 PolarHBondContact O-N 2.89Å; W60-C70 VanDerWaalsContact O-N 3.07Å; W60-N71 VanDerWaalsContact CE3-OD1 3.3Å; W60-I83 HydrophobicContact CH2-CD1 3.53Å; W60-I83 HydrophobicContact CZ2-CD1 4.1Å |
| 61 | S | 80.1 | Confident | 79.7 | Confident | 71 Ų | 71 | 50 Ų | 50 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7 | -173.8 | 69.4 | 0 | 0 | 0 | 0 | 114.6 | D59 Q63 | D59-S61 VanDerWaalsContact C-N 3.33Å; D59-S61 VanDerWaalsContact CG-OG 3.29Å; D59-S61 WeakPolarHBondContact OD1-CB 3.26Å; D59-S61 PolarHBondContact OD1-N 3.33Å; D59-S61 PolarHBondContact OD1-OG 2.91Å; D59-S61 PolarHBondContact OD2-OG 2.92Å; S61-Q63 PolarHBondContact O-N 2.99Å |
| 62 | I | 84.2 | Confident | 79.7 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.185 | 29% | 0.29 | C | S | . | . | trans | -70.7 | 130.7 | 179.3 | -63 | 173.3 | 0 | 0 | 0 | 108.8 | N28 Q30 T36 H39 D59 D69 | N28-I62 HydrophobicContact CB-CD1 3.51Å; Q30-I62 HydrophobicContact CG-CG2 4.17Å; T36-I62 HydrophobicContact CG2-CB 3.96Å; T36-I62 HydrophobicContact CG2-CD1 3.99Å; T36-I62 HydrophobicContact CG2-CG2 3.58Å; H39-I62 PolarHBondContact CE1-O 2.95Å; H39-I62 PolarHBondContact NE2-O 2.93Å; D59-I62 HydrophobicContact CB-CD1 3.85Å; D59-I62 HydrophobicContact CB-CG1 4.07Å; I62-D69 WeakPolarHBondContact O-CA 3.31Å | ||
| 63 | Q | 84.4 | Confident | 79.7 | Confident | 116 Ų | 116 | 53.9 Ų | 53.9 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -95.7 | 140 | 177.1 | -69.3 | 178.8 | -18.7 | 0 | 0 | 111.6 | Q30 S61 G67 F68 D69 | Q30-Q63 PolarHBondContact NE2-O 3.02Å; S61-Q63 PolarHBondContact O-N 2.99Å; Q63-G67 PolarHBondContact NE2-O 3.36Å; Q63-F68 WeakPolarHBondContact CA-O 3.48Å; Q63-D69 HydrophobicContact CG-CB 4.01Å |
| 64 | N | 84.7 | Confident | 79.4 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | trans | -79.9 | 179.9 | 169.8 | 71.1 | 8.8 | 0 | 0 | 0 | 112.5 | G34 D35 L66 G67 F68 | G34-N64 WeakPolarHBondContact O-CA 3.37Å; G34-N64 WeakPolarHBondContact O-CB 3.47Å; D35-N64 WeakPolarHBondContact OD1-CB 3.48Å; D35-N64 PolarHBondContact OD1-ND2 2.91Å; N64-L66 PolarHBondContact O-N 3.26Å; N64-L66 WeakPolarHBondContact OD1-CA 3.46Å; N64-L66 WeakPolarHBondContact OD1-CB 3.35Å; N64-L66 PolarHBondContact OD1-N 3.29Å; N64-G67 PolarHBondContact O-N 2.96Å; N64-G67 PolarHBondContact OD1-N 3.47Å; N64-F68 PolarHBondContact N-O 2.99Å; N64-F68 PolarHBondContact OD1-N 3.09Å; N64-F68 PolarHBondContact OD1-O 3.16Å | ||
| 65 | N | 85.2 | Confident | 78.9 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -9.6 | -178.3 | -65.2 | -9 | 0 | 0 | 0 | 113.7 | T32 A33 G34 | T32-N65 PolarHBondContact O-ND2 3.45Å; A33-N65 VanDerWaalsContact C-CG 3.43Å; A33-N65 VanDerWaalsContact C-ND2 3.28Å; A33-N65 VanDerWaalsContact O-CB 3.27Å; A33-N65 WeakPolarHBondContact O-CB 3.44Å; A33-N65 VanDerWaalsContact O-CG 3.3Å; A33-N65 PolarHBondContact O-N 3.35Å; G34-N65 WeakPolarHBondContact CA-OD1 3.32Å; G34-N65 PolarHBondContact N-ND2 3.02Å |
| 66 | L | 81.1 | Confident | 78.3 | Confident | 130 Ų | 130 | 63 Ų | 63 | 68% | 0.681 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -3 | 173.7 | -59.8 | 173.6 | 0 | 0 | 0 | 112.1 | N64 F68 | N64-L66 PolarHBondContact O-N 3.26Å; N64-L66 WeakPolarHBondContact OD1-CA 3.46Å; N64-L66 WeakPolarHBondContact OD1-CB 3.35Å; N64-L66 PolarHBondContact OD1-N 3.29Å; L66-F68 HydrophobicContact CB-CD2 3.64Å; L66-F68 HydrophobicContact CB-CE2 3.92Å |
| 67 | G | 81.5 | Confident | 77.3 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 86.5 | 1.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q63 N64 | Q63-G67 PolarHBondContact NE2-O 3.36Å; N64-G67 PolarHBondContact O-N 2.96Å; N64-G67 PolarHBondContact OD1-N 3.47Å |
| 68 | F | 82.6 | Confident | 76.3 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 36% | 0.355 | 37% | 0.369 | S | S | . | . | trans | -88.2 | 133.8 | -179.8 | -61.9 | -68.9 | 0 | 0 | 0 | 110.9 | H39 Q63 N64 L66 L73 | H39-F68 PolarHBondContact NE2-O 3.46Å; Q63-F68 WeakPolarHBondContact CA-O 3.48Å; N64-F68 PolarHBondContact N-O 2.99Å; N64-F68 PolarHBondContact OD1-N 3.09Å; N64-F68 PolarHBondContact OD1-O 3.16Å; L66-F68 HydrophobicContact CB-CD2 3.64Å; L66-F68 HydrophobicContact CB-CE2 3.92Å; F68-L73 HydrophobicContact CB-CD1 4.02Å; F68-L73 HydrophobicContact CB-CG 4.15Å | ||
| 69 | D | 83.3 | Confident | 74.8 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.134 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -89.9 | 171 | 166 | 79.9 | -2.9 | 0 | 0 | 0 | 111.2 | I62 Q63 N71 E72 L73 | I62-D69 WeakPolarHBondContact O-CA 3.31Å; Q63-D69 HydrophobicContact CG-CB 4.01Å; D69-N71 PolarHBondContact O-N 3.03Å; D69-N71 WeakPolarHBondContact OD1-CB 3.49Å; D69-N71 PolarHBondContact OD1-N 3.38Å; D69-N71 VanDerWaalsContact OD1-N 3.11Å; D69-N71 PolarHBondContact OD2-ND2 2.98Å; D69-E72 PolarHBondContact O-N 2.76Å; D69-E72 WeakPolarHBondContact OD1-CB 3.2Å; D69-E72 WeakPolarHBondContact OD1-CG 3.32Å; D69-E72 PolarHBondContact OD1-N 3.43Å; D69-L73 PolarHBondContact O-N 3.25Å; D69-L73 VanDerWaalsContact O-N 3.15Å |
| 70 | C | 81.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.1 | -26.3 | -179.9 | -71.8 | 0 | 0 | 0 | 0 | 112.7 | L38 H39 I42 W60 S74 | L38-C70 HydrophobicContact CD2-CB 3.86Å; L38-C70 HydrophobicContact CG-CB 4.21Å; H39-C70 PolarHBondContact CE1-SG 3.01Å; H39-C70 VanDerWaalsContact CG-SG 3.54Å; H39-C70 PolarHBondContact ND1-SG 3.02Å; I42-C70 HydrophobicContact CD1-CB 3.57Å; W60-C70 HydrophobicContact CB-CB 4.28Å; W60-C70 HydrophobicContact CD2-CB 4.28Å; W60-C70 HydrophobicContact CE3-CB 3.93Å; W60-C70 HydrophobicContact CG-CB 4.47Å; W60-C70 WeakPolarHBondContact O-CB 3.34Å; W60-C70 PolarHBondContact O-N 2.89Å; W60-C70 VanDerWaalsContact O-N 3.07Å; C70-S74 WeakPolarHBondContact O-CB 3.13Å; C70-S74 PolarHBondContact O-N 3.02Å; C70-S74 PolarHBondContact O-OG 3.39Å |
| 71 | N | 77.9 | Confident | 71.3 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 34% | 0.337 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.9 | -36.7 | 178.2 | -60.8 | -57.4 | 0 | 0 | 0 | 112.3 | W60 D69 S74 K75 | W60-N71 VanDerWaalsContact CE3-OD1 3.3Å; D69-N71 PolarHBondContact O-N 3.03Å; D69-N71 WeakPolarHBondContact OD1-CB 3.49Å; D69-N71 PolarHBondContact OD1-N 3.38Å; D69-N71 VanDerWaalsContact OD1-N 3.11Å; D69-N71 PolarHBondContact OD2-ND2 2.98Å; N71-S74 PolarHBondContact O-OG 3.35Å; N71-K75 WeakPolarHBondContact O-CG 3.45Å; N71-K75 PolarHBondContact O-N 3.28Å |
| 72 | E | 76.1 | Confident | 69.4 | Low | 90 Ų | 90 | 82.2 Ų | 82.2 | 42% | 0.421 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.1 | -45.1 | 174.8 | -75.5 | -176.9 | 167.4 | 0 | 0 | 110.6 | D69 S74 K75 E76 | D69-E72 PolarHBondContact O-N 2.76Å; D69-E72 WeakPolarHBondContact OD1-CB 3.2Å; D69-E72 WeakPolarHBondContact OD1-CG 3.32Å; D69-E72 PolarHBondContact OD1-N 3.43Å; E72-S74 PolarHBondContact O-N 3.45Å; E72-K75 PolarHBondContact O-N 3.11Å; E72-E76 PolarHBondContact O-N 2.91Å |
| 73 | L | 74.1 | Confident | 67.3 | Low | 24 Ų | 24 | 82.9 Ų | 82.9 | 13% | 0.126 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.2 | -33.2 | 175.2 | -86.1 | 153.9 | 0 | 0 | 0 | 112.9 | H39 I42 K43 F68 D69 | H39-L73 WeakPolarHBondContact CD2-CD1 3.38Å; I42-L73 HydrophobicContact CG2-CB 3.93Å; K43-L73 HydrophobicContact CG-CD2 4.44Å; F68-L73 HydrophobicContact CB-CD1 4.02Å; F68-L73 HydrophobicContact CB-CG 4.15Å; D69-L73 PolarHBondContact O-N 3.25Å; D69-L73 VanDerWaalsContact O-N 3.15Å |
| 74 | S | 73.1 | Confident | 65 | Low | 9 Ų | 9 | 81 Ų | 81 | 6% | 0.063 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -78.3 | -17.1 | 176.4 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | C70 N71 E72 | C70-S74 WeakPolarHBondContact O-CB 3.13Å; C70-S74 PolarHBondContact O-N 3.02Å; C70-S74 PolarHBondContact O-OG 3.39Å; N71-S74 PolarHBondContact O-OG 3.35Å; E72-S74 PolarHBondContact O-N 3.45Å |
| 75 | K | 67 | Low | 62.3 | Low | 158 Ų | 158 | 87 Ų | 87 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -79.5 | -31.8 | 174.6 | -74.7 | 169.2 | -174.1 | 171.1 | 0 | 112.2 | N71 E72 R77 | N71-K75 WeakPolarHBondContact O-CG 3.45Å; N71-K75 PolarHBondContact O-N 3.28Å; E72-K75 PolarHBondContact O-N 3.11Å; K75-R77 PolarHBondContact O-N 2.86Å |
| 76 | E | 58.6 | Low | 59.5 | Low | 150 Ų | 150 | 84.6 Ų | 84.6 | 70% | 0.701 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.2 | 177.2 | -70.3 | -169.4 | 161 | 0 | 0 | 113.2 | E72 | E72-E76 PolarHBondContact O-N 2.91Š|
| 77 | R | 52.4 | Low | 56.9 | Low | 128 Ų | 128 | 85.1 Ų | 85.1 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 136 | 178.1 | -67.2 | -168.8 | 172.2 | -170.6 | 3.2 | 109.8 | K43 K75 I79 | K43-R77 PolarHBondContact O-NH1 3.15Å; K43-R77 PolarHBondContact O-NH2 2.97Å; K75-R77 PolarHBondContact O-N 2.86Å; R77-I79 HydrophobicContact CB-CD1 4.07Å; R77-I79 HydrophobicContact CB-CG1 4.22Å; R77-I79 PolarHBondContact O-N 3.25Å |
| 78 | T | 50.3 | Low | 54.2 | Low | 154 Ų | 154 | 91.7 Ų | 91.7 | 95% | 0.945 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 70.1 | -179.4 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 79 | I | 51.4 | Low | 51.5 | Low | 13 Ų | 13 | 90 Ų | 90 | 7% | 0.067 | 49% | 0.491 | C | S | . | . | trans | -105.6 | -12.3 | -179 | -68.3 | 174 | 0 | 0 | 0 | 111 | I42 L47 R77 S81 I83 | I42-I79 HydrophobicContact CG2-CD1 4.18Å; L47-I79 HydrophobicContact CD2-CB 4.42Å; L47-I79 HydrophobicContact CD2-CG1 4.36Å; L47-I79 HydrophobicContact CD2-CG2 3.68Å; R77-I79 HydrophobicContact CB-CD1 4.07Å; R77-I79 HydrophobicContact CB-CG1 4.22Å; R77-I79 PolarHBondContact O-N 3.25Å; I79-S81 PolarHBondContact O-N 3.39Å; I79-I83 HydrophobicContact CG2-CD1 3.63Å; I79-I83 HydrophobicContact CG2-CG1 3.93Å | ||
| 80 | D | 46.2 | Very low | 48.9 | Very low | 138 Ų | 138 | 97.2 Ų | 97.2 | 74% | 0.738 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.2 | -175.3 | -95 | -6.3 | 0 | 0 | 0 | 115.5 | ||
| 81 | S | 41.1 | Very low | 46.3 | Very low | 112 Ų | 112 | 104.8 Ų | 104.8 | 78% | 0.783 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -5.5 | -169.7 | 108.3 | 0 | 0 | 0 | 0 | 116 | I79 | I79-S81 PolarHBondContact O-N 3.39Š|
| 82 | K | 41.5 | Very low | 43.9 | Very low | 140 Ų | 140 | 111.5 Ų | 111.5 | 61% | 0.609 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | 9.1 | -171.5 | -75.7 | -170.5 | -179.4 | -179.2 | 0 | 116.2 | L47 S84 | L47-K82 HydrophobicContact CD1-CB 4.47Å; K82-S84 PolarHBondContact O-N 3.09Å |
| 83 | I | 40.1 | Very low | 41.6 | Very low | 50 Ų | 50 | 113.9 Ų | 113.9 | 26% | 0.256 | 61% | 0.605 | S | S | . | * | trans | -75.3 | 78.6 | 165.8 | -56.1 | 173.6 | 0 | 0 | 0 | 107.3 | V50 W60 I79 V85 | V50-I83 HydrophobicContact CG1-CD1 4.4Å; W60-I83 HydrophobicContact CH2-CD1 3.53Å; W60-I83 HydrophobicContact CZ2-CD1 4.1Å; I79-I83 HydrophobicContact CG2-CD1 3.63Å; I79-I83 HydrophobicContact CG2-CG1 3.93Å; I83-V85 PolarHBondContact O-N 3.04Å | ||
| 84 | S | 35.4 | Very low | 39 | Very low | 77 Ų | 77 | 116.2 Ų | 116.2 | 54% | 0.538 | 64% | 0.635 | S | S | . | * | trans | -62.7 | 115.1 | 164.8 | -50.5 | 0 | 0 | 0 | 0 | 106.2 | K82 P86 | K82-S84 PolarHBondContact O-N 3.09Å; S84-P86 WeakPolarHBondContact O-CD 3.33Å; S84-P86 VanDerWaalsContact O-CG 3.24Å; S84-P86 WeakPolarHBondContact O-CG 3.48Å; S84-P86 VanDerWaalsContact O-N 3.15Å | ||
| 85 | V | 27.4 | Very low | 36.5 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 81% | 0.812 | 67% | 0.672 | S | S | * | * | trans | -69.6 | 99.4 | 160.2 | -177.5 | 0 | 0 | 0 | 0 | 105.3 | I83 V87 | I83-V85 PolarHBondContact O-N 3.04Å; V85-V87 PolarHBondContact O-N 2.84Å | ||
| 86 | P | 27.8 | Very low | 34.4 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 44% | 0.435 | 68% | 0.68 | S | S | . | * | trans | -86.5 | 125.1 | -169.2 | 0.8 | 21 | 0 | 0 | 0 | 108.6 | S84 M88 | S84-P86 WeakPolarHBondContact O-CD 3.33Å; S84-P86 VanDerWaalsContact O-CG 3.24Å; S84-P86 WeakPolarHBondContact O-CG 3.48Å; S84-P86 VanDerWaalsContact O-N 3.15Å; P86-M88 PolarHBondContact O-N 3.42Å | ||
| 87 | V | 26.4 | Very low | 32.5 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | trans | -54 | 101.7 | 165.6 | 176.6 | 0 | 0 | 0 | 0 | 108.6 | V85 G89 | V85-V87 PolarHBondContact O-N 2.84Å; V87-G89 PolarHBondContact O-N 3.34Å | ||
| 88 | M | 24.4 | Very low | 31.1 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 84% | 0.842 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -69.4 | 95.5 | 176.7 | -126.7 | -67.9 | -91.7 | 0 | 0 | 109.2 | P86 | P86-M88 PolarHBondContact O-N 3.42Š|
| 89 | G | 25.9 | Very low | 29.7 | Very low | 46 Ų | 46 | 124 Ų | 124 | 47% | 0.474 | 69% | 0.687 | S | S | . | * | trans | -158.2 | 1.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 118 | V87 | V87-G89 PolarHBondContact O-N 3.34Š| ||
| 90 | Q | 29 | Very low | 28.2 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -138.7 | 30.1 | -166.9 | -70.2 | -165.7 | -18.8 | 0 | 0 | 118.2 | ||
| 91 | I | 25.7 | Very low | 27 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 82% | 0.821 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -113.5 | 0.2 | 169.2 | -59.9 | 179.6 | 0 | 0 | 0 | 113.7 | ||
| 92 | F | 28.6 | Very low | 26 | Very low | 203 Ų | 203 | 132.1 Ų | 132.1 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -115.3 | 10 | 171.1 | -75.6 | -73.8 | 0 | 0 | 0 | 115.4 | ||
| 93 | N | 26.7 | Very low | 25 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -114.8 | 135.5 | 169.4 | -79.4 | -17.3 | 0 | 0 | 0 | 110.4 | ||
| 94 | G | 21.1 | Very low | 24.1 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | -59.3 | 147.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 95 | H | 20.4 | Very low | 23.4 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | 28.5 | 100.8 | 153.7 | -97.1 | 57.7 | 0 | 0 | 0 | 117.7 | ||||
| 96 | V | 22.1 | Very low | 23 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -130.8 | 126.6 | 142.3 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 97 | K | 19.7 | Very low | 22.6 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -72.2 | 137.1 | 176.8 | -64.1 | 173.6 | 173.3 | -178.3 | 0 | 110.5 | ||||
| 98 | T | 22.5 | Very low | 22.3 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -161.3 | 94.9 | 146.7 | 45.5 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 99 | D | 20.4 | Very low | 22 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 56.7 | 116.8 | 91.7 | -76.6 | -14.8 | 0 | 0 | 0 | 113.3 | |||||
| 100 | E | 20.8 | Very low | 21.7 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 69.5 | 133.2 | 141.1 | -65.2 | -172.6 | -179.9 | 0 | 0 | 115.8 | ||||
| 101 | T | 20.4 | Very low | 21.2 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | cis | -170.5 | 152.6 | 19.8 | 7.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 102 | E | 20.7 | Very low | 21 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | 74.8 | 115.5 | 137.8 | -72.8 | 173.3 | -175.1 | 0 | 0 | 122.2 | ||||
| 103 | S | 20 | Very low | 20.7 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | 61.5 | 115.5 | 126.4 | 75.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 104 | G | 20.1 | Very low | 20.3 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | cis | 120 | 149 | 42.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 105 | S | 20.6 | Very low | 20.3 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | 73.7 | 143.8 | 174.9 | 78.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 106 | S | 19.6 | Very low | 20.3 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | 171.2 | 160.4 | -25.6 | -162.2 | 0 | 0 | 0 | 0 | 103 | ||||
| 107 | L | 19.5 | Very low | 20.2 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 75.2 | 139.2 | 156.4 | -56.8 | 162.2 | 0 | 0 | 0 | 116.4 | ||||
| 108 | T | 19.4 | Very low | 20.2 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -177.1 | 137.3 | -14.5 | 16.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 109 | V | 18.5 | Very low | 20.2 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | 32.8 | 120.8 | 129.6 | -172.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 110 | L | 19.9 | Very low | 20.2 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -164.1 | 96 | 133.9 | -86.4 | 178.2 | 0 | 0 | 0 | 105.7 | ||||
| 111 | S | 19.1 | Very low | 20 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | 48.2 | 126 | 87 | 71.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 112 | D | 20.8 | Very low | 20.1 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 106.5 | 142.3 | 148.4 | -62.9 | -22.9 | 0 | 0 | 0 | 121.1 | ||||
| 113 | V | 22.9 | Very low | 19.9 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | 114 | 86.9 | 161.5 | -165.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 114 | M | 18.8 | Very low | 19.9 | Very low | 186 Ų | 186 | 128.7 Ų | 128.7 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -47.1 | 164.8 | 154.3 | -56.9 | 175.3 | -65.2 | 0 | 0 | 115.2 | ||||
| 115 | G | 20.7 | Very low | 19.8 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 139.8 | 77.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 116 | N | 19.7 | Very low | 19.8 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | 62.2 | 145.5 | 83.9 | -89 | 8 | 0 | 0 | 0 | 116.7 | |||||
| 117 | D | 21 | Very low | 19.9 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | 91.2 | 99.8 | 169.9 | -54.1 | -20.6 | 0 | 0 | 0 | 114.6 | ||||
| 118 | A | 19.2 | Very low | 19.9 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | 63.1 | 94.4 | 35.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 119 | S | 21.4 | Very low | 20 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 157.7 | 141.2 | 152.5 | 44.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 120 | Q | 20.4 | Very low | 20.1 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | cis | -162.7 | 144 | 7.4 | -112.7 | 165.3 | 19.1 | 0 | 0 | 107.7 | ||||
| 121 | V | 18.3 | Very low | 20.1 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 139.1 | 169.9 | 177 | 0 | 0 | 0 | 0 | 109 | ||
| 122 | P | 20.6 | Very low | 20.2 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 120.5 | 161.3 | 28.5 | -16.2 | 0 | 0 | 0 | 111.3 | ||
| 123 | T | 18.4 | Very low | 20.1 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 135.1 | 166 | 45.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 124 | M | 19 | Very low | 20.1 | Very low | 187 Ų | 187 | 132 Ų | 132 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -133.5 | 104.4 | 162.3 | -91.2 | -81.9 | -175 | 0 | 0 | 109.3 | ||||
| 125 | N | 18.7 | Very low | 20.3 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -71.3 | 139.6 | 162.4 | -79 | -23.5 | 0 | 0 | 0 | 109.5 | ||||
| 126 | G | 20.6 | Very low | 20.4 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 178.3 | 96.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G128 | G126-G128 PolarHBondContact O-N 2.89Š| ||
| 127 | N | 20.2 | Very low | 20.6 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 95% | 0.947 | 78% | 0.777 | S | S | * | * | trans | -53.4 | 100.8 | 171.1 | -69.3 | -15.3 | 0 | 0 | 0 | 111.2 | ||||
| 128 | G | 20.9 | Very low | 20.9 | Very low | 61 Ų | 61 | 127.4 Ų | 127.4 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -111.4 | 98.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G126 V130 | G126-G128 PolarHBondContact O-N 2.89Å; G128-V130 PolarHBondContact O-N 2.84Å | ||
| 129 | H | 20.4 | Very low | 21.1 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | -57.7 | 100.1 | 164.4 | -102.1 | -85.7 | 0 | 0 | 0 | 108.5 | V131 | H129-V131 PolarHBondContact O-N 3.5Š| ||
| 130 | V | 21.3 | Very low | 21.5 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -73.8 | 95.3 | 172 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | G128 I132 | G128-V130 PolarHBondContact O-N 2.84Å; V130-I132 VanDerWaalsContact C-N 3.31Å; V130-I132 HydrophobicContact CG1-CG1 3.91Å; V130-I132 PolarHBondContact O-N 3.46Å | ||
| 131 | V | 19 | Very low | 21.7 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | trans | -67.3 | 96.2 | 165.1 | 177.6 | 0 | 0 | 0 | 0 | 106.5 | H129 T133 | H129-V131 PolarHBondContact O-N 3.5Å; V131-T133 VanDerWaalsContact C-N 3.26Å; V131-T133 HydrophobicContact CG1-CG2 4.41Å; V131-T133 PolarHBondContact O-N 3.46Å | ||
| 132 | I | 20.9 | Very low | 22.1 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -72.2 | 88.4 | 169.3 | -57.1 | 175.7 | 0 | 0 | 0 | 106.4 | V130 P134 | V130-I132 VanDerWaalsContact C-N 3.31Å; V130-I132 HydrophobicContact CG1-CG1 3.91Å; V130-I132 PolarHBondContact O-N 3.46Å; I132-P134 WeakPolarHBondContact O-CD 3.38Å | ||
| 133 | T | 19.3 | Very low | 22.5 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 122 | 159 | 33.5 | 0 | 0 | 0 | 0 | 107.6 | V131 | V131-T133 VanDerWaalsContact C-N 3.26Å; V131-T133 HydrophobicContact CG1-CG2 4.41Å; V131-T133 PolarHBondContact O-N 3.46Å |
| 134 | P | 22.5 | Very low | 23.1 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 143.7 | 170.6 | -10.1 | 21.1 | 0 | 0 | 0 | 108.5 | I132 A136 | I132-P134 WeakPolarHBondContact O-CD 3.38Å; P134-A136 PolarHBondContact O-N 2.9Å; P134-A136 VanDerWaalsContact O-N 3.15Å |
| 135 | P | 23.6 | Very low | 23.5 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 127.9 | -177.4 | 20.2 | -30.1 | 0 | 0 | 0 | 109.1 | S137 | P135-S137 PolarHBondContact O-N 3.44Š|
| 136 | A | 23.7 | Very low | 24.2 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | trans | -45.1 | 130.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P134 L138 | P134-A136 PolarHBondContact O-N 2.9Å; P134-A136 VanDerWaalsContact O-N 3.15Å; A136-L138 PolarHBondContact O-N 3.05Å | ||
| 137 | S | 23.9 | Very low | 24.8 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | -27.7 | 111.7 | 164.9 | -23.2 | 0 | 0 | 0 | 0 | 109.4 | P135 T139 | P135-S137 PolarHBondContact O-N 3.44Å; S137-T139 PolarHBondContact O-N 3.42Å | ||
| 138 | L | 26.4 | Very low | 25.7 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | trans | -63.5 | 75 | 167.2 | -80.8 | 152.1 | 0 | 0 | 0 | 107.7 | A136 S140 | A136-L138 PolarHBondContact O-N 3.05Å; L138-S140 PolarHBondContact O-N 3.07Å | ||
| 139 | T | 23.9 | Very low | 27.1 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 82% | 0.816 | 70% | 0.7 | S | S | * | * | trans | -85.3 | 65.5 | 162.1 | 52.5 | 0 | 0 | 0 | 0 | 107 | S137 | S137-T139 PolarHBondContact O-N 3.42Š| ||
| 140 | S | 28.7 | Very low | 28.4 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 44% | 0.441 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -152.5 | 121.5 | 155.6 | 58.5 | 0 | 0 | 0 | 0 | 104.6 | L138 Q142 | L138-S140 PolarHBondContact O-N 3.07Å; S140-Q142 PolarHBondContact O-N 3.49Å |
| 141 | E | 26.1 | Very low | 30.1 | Very low | 200 Ų | 200 | 118.8 Ų | 118.8 | 94% | 0.935 | 67% | 0.671 | S | S | * | * | trans | -63.9 | 36.6 | 176.5 | -64 | 177.1 | 140.1 | 0 | 0 | 113.1 | S143 | E141-S143 PolarHBondContact O-N 3.38Š| ||
| 142 | Q | 25.7 | Very low | 32.2 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 77% | 0.771 | 67% | 0.667 | S | S | * | * | trans | -77.5 | 77.7 | 155.7 | -66.1 | -171.7 | -0.3 | 0 | 0 | 106.6 | S140 L144 | S140-Q142 PolarHBondContact O-N 3.49Å; Q142-L144 PolarHBondContact O-N 3.43Å | ||
| 143 | S | 30.2 | Very low | 34.1 | Very low | 76 Ų | 76 | 115.8 Ų | 115.8 | 53% | 0.531 | 65% | 0.653 | S | S | . | * | trans | -37.6 | 123.7 | 158.9 | 53.3 | 0 | 0 | 0 | 0 | 109.2 | E141 Q145 | E141-S143 PolarHBondContact O-N 3.38Å; S143-Q145 PolarHBondContact O-N 3.49Å | ||
| 144 | L | 30.4 | Very low | 36.3 | Very low | 151 Ų | 151 | 115.8 Ų | 115.8 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | trans | -65 | 47.2 | 158 | -69.9 | 153.6 | 0 | 0 | 0 | 109.6 | Q142 A146 | Q142-L144 PolarHBondContact O-N 3.43Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 3.13Å | ||
| 145 | Q | 26.8 | Very low | 38.8 | Very low | 144 Ų | 144 | 112.4 Ų | 112.4 | 67% | 0.673 | 62% | 0.624 | S | S | * | * | trans | -56.8 | 110.7 | 146.9 | -77.6 | -178.9 | -5.5 | 0 | 0 | 103 | S143 K147 | S143-Q145 PolarHBondContact O-N 3.49Å; Q145-K147 PolarHBondContact O-N 3.35Å | ||
| 146 | A | 33.4 | Very low | 41.6 | Very low | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | trans | -42.3 | 113 | 166.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | L144 V148 | L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 3.13Å; A146-V148 PolarHBondContact O-N 3.29Å | ||
| 147 | K | 33.2 | Very low | 44.5 | Very low | 193 Ų | 193 | 106.2 Ų | 106.2 | 84% | 0.839 | 57% | 0.566 | S | S | * | * | trans | -53.2 | 107.1 | 164.3 | -92 | 179 | 174.6 | 175.1 | 0 | 102.3 | Q145 V149 | Q145-K147 PolarHBondContact O-N 3.35Å; K147-V149 PolarHBondContact O-N 3.08Å | ||
| 148 | V | 40 | Very low | 47.5 | Very low | 103 Ų | 103 | 105.3 Ų | 105.3 | 62% | 0.624 | 55% | 0.547 | S | S | * | . | trans | -55.7 | 104.7 | 169 | 175.2 | 0 | 0 | 0 | 0 | 102.6 | A146 E150 | A146-V148 PolarHBondContact O-N 3.29Å; V148-E150 PolarHBondContact O-N 3.08Å | ||
| 149 | V | 49.4 | Very low | 50.5 | Low | 59 Ų | 59 | 98.6 Ų | 98.6 | 36% | 0.358 | 51% | 0.512 | S | S | . | . | trans | -67.4 | 98.3 | 172.3 | 177.2 | 0 | 0 | 0 | 0 | 102.6 | K147 L151 L565 | K147-V149 PolarHBondContact O-N 3.08Å; V149-L151 PolarHBondContact O-N 3.39Å; V149-L565 HydrophobicContact CB-CD2 4.4Å; V149-L565 HydrophobicContact CG1-CD2 4.37Å | ||
| 150 | E | 48.6 | Very low | 53.8 | Low | 171 Ų | 171 | 92.5 Ų | 92.5 | 80% | 0.799 | 48% | 0.475 | S | S | * | . | trans | -63.3 | 92.4 | 168.7 | -75.4 | -174.3 | 170.4 | 0 | 0 | 106.1 | V148 K152 | V148-E150 PolarHBondContact O-N 3.08Å; E150-K152 PolarHBondContact O-N 2.84Å; E150-K152 VanDerWaalsContact O-N 3.11Å | ||
| 151 | L | 56.2 | Low | 56.9 | Low | 41 Ų | 41 | 89.8 Ų | 89.8 | 22% | 0.215 | 46% | 0.455 | C | S | . | . | trans | -54 | 118.8 | 167.5 | -80.1 | 155.1 | 0 | 0 | 0 | 106.3 | V149 E155 R158 M159 L565 | V149-L151 PolarHBondContact O-N 3.39Å; L151-E155 HydrophobicContact CD2-CB 4.12Å; L151-R158 HydrophobicContact CD2-CB 4.4Å; L151-M159 HydrophobicContact CD1-CG 3.79Å; L151-M159 HydrophobicContact CD1-SD 3.64Å; L151-L565 HydrophobicContact CD1-CD2 4.1Å; L151-L565 HydrophobicContact CD2-CD1 4.3Å; L151-L565 HydrophobicContact CD2-CD2 4.14Å; L151-L565 HydrophobicContact CG-CD2 4.16Å | ||
| 152 | K | 63.8 | Low | 60.2 | Low | 144 Ų | 144 | 80.4 Ų | 80.4 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | trans | -56.6 | 147 | 168.8 | -65.4 | 179.3 | 179.9 | 176.4 | 0 | 107.8 | E150 D154 E155 | E150-K152 PolarHBondContact O-N 2.84Å; E150-K152 VanDerWaalsContact O-N 3.11Å; K152-D154 PolarHBondContact O-N 3.4Å; K152-E155 HydrophobicContact CB-CB 4.42Å; K152-E155 HydrophobicContact CB-CG 4.16Å; K152-E155 WeakPolarHBondContact O-CB 3.35Å; K152-E155 PolarHBondContact O-N 3.41Å | ||
| 153 | A | 60.1 | Low | 63.5 | Low | 54 Ų | 54 | 75 Ų | 75 | 45% | 0.446 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -51.4 | -32.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E155 | A153-E155 VanDerWaalsContact C-N 3.31Å; A153-E155 PolarHBondContact O-N 2.99Å |
| 154 | D | 65.3 | Low | 66.7 | Low | 111 Ų | 111 | 72 Ų | 72 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -78.7 | -9.4 | -179.9 | -55.3 | -34.4 | 0 | 0 | 0 | 114.3 | K152 Y157 Q292 | K152-D154 PolarHBondContact O-N 3.4Å; D154-Y157 VanDerWaalsContact O-CD1 3.3Å; D154-Y157 WeakPolarHBondContact O-CD1 3.48Å; D154-Y157 WeakPolarHBondContact O-CE1 3.23Å; D154-Q292 PolarHBondContact OD1-NE2 3.02Å |
| 155 | E | 75.4 | Confident | 69.8 | Low | 35 Ų | 35 | 67 Ų | 67 | 16% | 0.164 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -100.3 | 11 | -174 | -75.4 | -172.8 | 178.6 | 0 | 0 | 113.7 | L151 K152 A153 Y157 R158 | L151-E155 HydrophobicContact CD2-CB 4.12Å; K152-E155 HydrophobicContact CB-CB 4.42Å; K152-E155 HydrophobicContact CB-CG 4.16Å; K152-E155 WeakPolarHBondContact O-CB 3.35Å; K152-E155 PolarHBondContact O-N 3.41Å; A153-E155 VanDerWaalsContact C-N 3.31Å; A153-E155 PolarHBondContact O-N 2.99Å; E155-Y157 PolarHBondContact O-N 3.25Å; E155-R158 WeakPolarHBondContact O-CB 3.35Å; E155-R158 WeakPolarHBondContact O-CG 3.47Å; E155-R158 PolarHBondContact O-N 3.36Å; E155-R158 IonicContact OE1-CZ 3.88Å; E155-R158 IonicContact OE1-NH1 3.58Å; E155-R158 PolarHBondContact OE1-NH1 3.38Å; E155-R158 IonicContact OE1-NH2 2.69Å; E155-R158 PolarHBondContact OE1-NH2 3.2Å; E155-R158 IonicContact OE2-CZ 2.76Å; E155-R158 VanDerWaalsContact OE2-CZ 3.32Å; E155-R158 IonicContact OE2-NE 2.78Å; E155-R158 IonicContact OE2-NH1 3.64Å; E155-R158 PolarHBondContact OE2-NH1 3.33Å |
| 156 | W | 81.5 | Confident | 73 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 8% | 0.08 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -52.5 | -31.2 | 179.9 | 67.1 | -97.6 | 0 | 0 | 0 | 113.2 | R158 M159 L160 M279 L282 C283 L295 P296 L298 | W156-R158 PolarHBondContact O-N 3.16Å; W156-R158 VanDerWaalsContact O-N 3.16Å; W156-M159 VanDerWaalsContact O-CB 3.25Å; W156-M159 WeakPolarHBondContact O-CB 3.38Å; W156-M159 PolarHBondContact O-N 3.08Å; W156-L160 HydrophobicContact CH2-CD1 4.43Å; W156-L160 HydrophobicContact CZ3-CD1 3.9Å; W156-L160 HydrophobicContact CZ3-CD2 4.19Å; W156-L160 HydrophobicContact CZ3-CG 4.05Å; W156-M279 HydrophobicContact CH2-CG 4.27Å; W156-M279 HydrophobicContact CZ3-CB 4.45Å; W156-M279 HydrophobicContact CZ3-CG 4.17Å; W156-L282 HydrophobicContact CE3-CB 4.22Å; W156-C283 WeakPolarHBondContact CH2-SG 3.49Å; W156-C283 WeakPolarHBondContact CZ2-SG 3.27Å; W156-C283 WeakPolarHBondContact CZ3-SG 3.47Å; W156-L295 HydrophobicContact CH2-CD1 3.84Å; W156-L295 HydrophobicContact CZ2-CD1 3.95Å; W156-P296 HydrophobicContact CZ2-CG 3.88Å; W156-L298 HydrophobicContact CH2-CD2 3.77Å; W156-L298 HydrophobicContact CZ2-CD2 3.71Å |
| 157 | Y | 85.7 | Confident | 75.9 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -65.1 | -18.8 | -178.8 | 59.8 | -98.4 | 0 | 0 | 0 | 113.1 | D154 E155 M159 L160 L167 I169 | D154-Y157 VanDerWaalsContact O-CD1 3.3Å; D154-Y157 WeakPolarHBondContact O-CD1 3.48Å; D154-Y157 WeakPolarHBondContact O-CE1 3.23Å; E155-Y157 PolarHBondContact O-N 3.25Å; Y157-M159 PolarHBondContact O-N 2.88Å; Y157-L160 WeakPolarHBondContact O-CB 3.44Å; Y157-L160 PolarHBondContact O-N 2.92Å; Y157-L167 HydrophobicContact CD2-CD2 3.62Å; Y157-L167 HydrophobicContact CE2-CD2 4.5Å; Y157-L167 HydrophobicContact CG-CD2 3.75Å; Y157-I169 HydrophobicContact CD1-CD1 3.31Å; Y157-I169 HydrophobicContact CD2-CD1 4.49Å; Y157-I169 HydrophobicContact CE1-CD1 3.51Å; Y157-I169 HydrophobicContact CG-CD1 3.86Å |
| 158 | R | 87.3 | Confident | 78.7 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 30% | 0.302 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -67.5 | -18.1 | 172.6 | -63.1 | 175.9 | 173.6 | -167.1 | -9.4 | 112.5 | L151 E155 W156 L565 | L151-R158 HydrophobicContact CD2-CB 4.4Å; E155-R158 WeakPolarHBondContact O-CB 3.35Å; E155-R158 WeakPolarHBondContact O-CG 3.47Å; E155-R158 PolarHBondContact O-N 3.36Å; E155-R158 IonicContact OE1-CZ 3.88Å; E155-R158 IonicContact OE1-NH1 3.58Å; E155-R158 PolarHBondContact OE1-NH1 3.38Å; E155-R158 IonicContact OE1-NH2 2.69Å; E155-R158 PolarHBondContact OE1-NH2 3.2Å; E155-R158 IonicContact OE2-CZ 2.76Å; E155-R158 VanDerWaalsContact OE2-CZ 3.32Å; E155-R158 IonicContact OE2-NE 2.78Å; E155-R158 IonicContact OE2-NH1 3.64Å; E155-R158 PolarHBondContact OE2-NH1 3.33Å; W156-R158 PolarHBondContact O-N 3.16Å; W156-R158 VanDerWaalsContact O-N 3.16Å; R158-L565 HydrophobicContact CB-CD1 3.91Å |
| 159 | M | 88.9 | Confident | 80.9 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -87.1 | -11.4 | 176.2 | -63.7 | -64.5 | -59.4 | 0 | 0 | 113.3 | L151 W156 Y157 W161 L282 L565 F568 I569 D572 H573 | L151-M159 HydrophobicContact CD1-CG 3.79Å; L151-M159 HydrophobicContact CD1-SD 3.64Å; W156-M159 VanDerWaalsContact O-CB 3.25Å; W156-M159 WeakPolarHBondContact O-CB 3.38Å; W156-M159 PolarHBondContact O-N 3.08Å; Y157-M159 PolarHBondContact O-N 2.88Å; M159-W161 PolarHBondContact O-N 3.25Å; M159-L282 HydrophobicContact CB-CD1 3.89Å; M159-L282 HydrophobicContact CB-CD2 3.84Å; M159-L565 HydrophobicContact SD-CD1 4.48Å; M159-L565 HydrophobicContact SD-CD2 4.49Å; M159-F568 VanDerWaalsContact CE-C 3.49Å; M159-F568 HydrophobicContact CE-CB 3.64Å; M159-F568 HydrophobicContact SD-CB 4.19Å; M159-I569 HydrophobicContact CE-CG1 3.95Å; M159-I569 HydrophobicContact SD-CG1 4.05Å; M159-D572 HydrophobicContact CE-CB 4.29Å; M159-H573 PolarHBondContact O-NE2 3.42Å |
| 160 | L | 92.4 | Very high | 82.5 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | trans | -61.2 | 127 | 173.9 | -71 | 171.8 | 0 | 0 | 0 | 109.2 | W156 Y157 Q278 M279 L282 I300 | W156-L160 HydrophobicContact CH2-CD1 4.43Å; W156-L160 HydrophobicContact CZ3-CD1 3.9Å; W156-L160 HydrophobicContact CZ3-CD2 4.19Å; W156-L160 HydrophobicContact CZ3-CG 4.05Å; Y157-L160 WeakPolarHBondContact O-CB 3.44Å; Y157-L160 PolarHBondContact O-N 2.92Å; L160-Q278 HydrophobicContact CD2-CB 3.92Å; L160-M279 HydrophobicContact CD1-CG 4.33Å; L160-M279 HydrophobicContact CD2-CG 3.73Å; L160-L282 HydrophobicContact CD2-CD1 3.86Å; L160-L282 HydrophobicContact CG-CD1 4.27Å; L160-I300 HydrophobicContact CD1-CD1 4.15Å | ||
| 161 | W | 94.9 | Very high | 83.4 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -142.9 | 128.6 | -176.4 | -160.4 | -100.9 | 0 | 0 | 0 | 112.6 | M159 Q163 Q278 V546 V557 F562 I569 H573 | M159-W161 PolarHBondContact O-N 3.25Å; W161-Q163 HydrophobicContact CE3-CB 4.38Å; W161-Q163 HydrophobicContact CZ3-CB 4.21Å; W161-Q278 PolarHBondContact O-NE2 3.15Å; W161-Q278 PolarHBondContact O-OE1 3Å; W161-Q278 VanDerWaalsContact O-OE1 3.05Å; W161-V546 PolarHBondContact NE1-O 3.49Å; W161-V557 HydrophobicContact CH2-CG1 4.11Å; W161-V557 HydrophobicContact CH2-CG2 4.27Å; W161-V557 HydrophobicContact CZ3-CG1 4.19Å; W161-V557 HydrophobicContact CZ3-CG2 4.37Å; W161-F562 HydrophobicContact CD2-CE2 4.07Å; W161-F562 AromaticContact CE2-CE2 3.68Å; W161-F562 AromaticContact CE3-CD2 3.98Å; W161-F562 HydrophobicContact CE3-CD2 3.98Å; W161-F562 AromaticContact CE3-CE2 3.96Å; W161-F562 HydrophobicContact CE3-CE2 3.96Å; W161-F562 HydrophobicContact CH2-CD1 4.23Å; W161-F562 AromaticContact CH2-CD2 3.11Å; W161-F562 HydrophobicContact CH2-CD2 3.11Å; W161-F562 HydrophobicContact CH2-CE1 4.2Å; W161-F562 AromaticContact CH2-CE2 3.07Å; W161-F562 HydrophobicContact CH2-CE2 3.07Å; W161-F562 AromaticContact CH2-CG 3.7Å; W161-F562 HydrophobicContact CH2-CG 3.7Å; W161-F562 AromaticContact CH2-CZ 3.63Å; W161-F562 HydrophobicContact CH2-CZ 3.63Å; W161-F562 AromaticContact CZ2-CD2 3.76Å; W161-F562 HydrophobicContact CZ2-CD2 3.76Å; W161-F562 HydrophobicContact CZ2-CE1 4.27Å; W161-F562 AromaticContact CZ2-CE2 3.16Å; W161-F562 HydrophobicContact CZ2-CE2 3.16Å; W161-F562 HydrophobicContact CZ2-CG 4.49Å; W161-F562 AromaticContact CZ2-CZ 3.43Å; W161-F562 HydrophobicContact CZ2-CZ 3.43Å; W161-F562 VanDerWaalsContact CZ2-CZ 3.43Å; W161-F562 AromaticContact CZ3-CD2 3.23Å; W161-F562 HydrophobicContact CZ3-CD2 3.23Å; W161-F562 AromaticContact CZ3-CE2 3.49Å; W161-F562 HydrophobicContact CZ3-CE2 3.49Å; W161-F562 VanDerWaalsContact CZ3-CE2 3.49Å; W161-F562 HydrophobicContact CZ3-CG 4.05Å; W161-F562 HydrophobicContact CZ3-CZ 4.46Å; W161-I569 HydrophobicContact CB-CG2 3.6Å; W161-I569 HydrophobicContact CD2-CG2 3.89Å; W161-I569 HydrophobicContact CE3-CD1 4.1Å; W161-I569 HydrophobicContact CE3-CG2 4.42Å; W161-I569 HydrophobicContact CG-CG2 3.5Å; W161-I569 VanDerWaalsContact CG-CG2 3.5Å; W161-H573 WeakPolarHBondContact CB-NE2 3.4Å |
| 162 | P | 95.9 | Very high | 83.7 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | S | Bend | cis | -60.7 | 149.8 | -1.8 | -26.2 | 36.8 | 0 | 0 | 0 | 114.3 | L336 K337 W553 | P162-L336 WeakPolarHBondContact CG-O 3.48Å; P162-K337 HydrophobicContact CG-CD 4.26Å; P162-K337 HydrophobicContact CG-CG 4.46Å; P162-W553 HydrophobicContact CB-CB 3.5Å; P162-W553 VanDerWaalsContact CB-CB 3.5Å; P162-W553 HydrophobicContact CB-CG 3.56Å; P162-W553 HydrophobicContact CG-CB 3.78Å; P162-W553 HydrophobicContact CG-CG 3.97Å |
| 163 | Q | 95.1 | Very high | 83.5 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 127 | 179.5 | -169.8 | 179.5 | 42.3 | 0 | 0 | 109.7 | W161 N554 V557 | W161-Q163 HydrophobicContact CE3-CB 4.38Å; W161-Q163 HydrophobicContact CZ3-CB 4.21Å; Q163-N554 WeakPolarHBondContact O-CB 3.4Å; Q163-N554 PolarHBondContact O-ND2 2.85Å; Q163-V557 HydrophobicContact CB-CG2 3.88Å |
| 164 | P | 96.4 | Very high | 83.9 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 147.1 | -179.6 | 24.7 | -32.9 | 0 | 0 | 0 | 111.4 | L167 I300 N554 | P164-L167 HydrophobicContact CG-CB 4.2Å; P164-I300 HydrophobicContact CB-CG2 3.78Å; P164-N554 PolarHBondContact O-ND2 2.73Å |
| 165 | Q | 95.1 | Very high | 84.4 | Confident | 44 Ų | 44 | 58 Ų | 58 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -62.2 | -44.1 | 177.9 | -65.5 | -78.4 | -13.8 | 0 | 0 | 112.2 | D302 W303 S305 W553 | Q165-D302 WeakPolarHBondContact CG-OD1 3.4Å; Q165-D302 PolarHBondContact N-OD1 3.08Å; Q165-W303 HydrophobicContact CB-CD2 4.08Å; Q165-W303 HydrophobicContact CB-CE3 4.26Å; Q165-W303 HydrophobicContact CB-CH2 3.9Å; Q165-W303 HydrophobicContact CB-CZ2 3.66Å; Q165-W303 HydrophobicContact CB-CZ3 4.17Å; Q165-W303 HydrophobicContact CG-CD2 3.9Å; Q165-W303 HydrophobicContact CG-CE3 4.49Å; Q165-W303 HydrophobicContact CG-CG 4.12Å; Q165-W303 HydrophobicContact CG-CZ2 4.05Å; Q165-W303 WeakPolarHBondContact CG-O 3.21Å; Q165-W303 PolarHBondContact NE2-O 2.69Å; Q165-S305 PolarHBondContact NE2-OG 3.28Å; Q165-W553 PolarHBondContact NE2-O 3.23Å |
| 166 | Q | 94.7 | Very high | 84.7 | Confident | 79 Ų | 79 | 57.7 Ų | 57.7 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 124.7 | 177.4 | -63.9 | -176.5 | -9.3 | 0 | 0 | 110.3 | I300 R301 W303 | Q166-I300 WeakPolarHBondContact O-CA 3.47Å; Q166-R301 HydrophobicContact CB-CB 4.26Å; Q166-R301 WeakPolarHBondContact CB-O 3.44Å; Q166-R301 PolarHBondContact N-O 3.46Å; Q166-R301 VanDerWaalsContact N-O 3.09Å; Q166-R301 PolarHBondContact O-N 3.09Å; Q166-W303 HydrophobicContact CG-CH2 3.76Å; Q166-W303 HydrophobicContact CG-CZ3 4.28Å |
| 167 | L | 93.9 | Very high | 84.9 | Confident | 53 Ų | 53 | 56.8 Ų | 56.8 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.9 | 173.6 | 171.8 | 66.8 | 0 | 0 | 0 | 108.2 | Y157 P164 I169 L298 I300 | Y157-L167 HydrophobicContact CD2-CD2 3.62Å; Y157-L167 HydrophobicContact CE2-CD2 4.5Å; Y157-L167 HydrophobicContact CG-CD2 3.75Å; P164-L167 HydrophobicContact CG-CB 4.2Å; L167-I169 HydrophobicContact CD1-CG1 4.13Å; L167-I169 HydrophobicContact CD2-CD1 4.16Å; L167-I169 HydrophobicContact CD2-CG1 4.4Å; L167-I169 HydrophobicContact CG-CD1 4.41Å; L167-I169 HydrophobicContact CG-CG1 4.11Å; L167-L298 HydrophobicContact CD1-CD1 4.19Å; L167-I300 HydrophobicContact CD1-CD1 4.18Å; L167-I300 HydrophobicContact CD1-CG1 3.52Å |
| 168 | S | 91.7 | Very high | 84.7 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.8 | 171.7 | 58 | 0 | 0 | 0 | 0 | 109.4 | L298 R299 | S168-L298 CarbonylContact O-C 3.51Å; S168-L298 VanDerWaalsContact O-CA 3.23Å; S168-L298 WeakPolarHBondContact O-CA 3.43Å; S168-L298 WeakPolarHBondContact O-CB 3.49Å; S168-R299 PolarHBondContact N-O 2.9Å; S168-R299 PolarHBondContact O-N 2.76Å; S168-R299 PolarHBondContact OG-O 2.94Å |
| 169 | I | 87.4 | Confident | 84.3 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.1 | 178.3 | -57.9 | 172.2 | 0 | 0 | 0 | 108.2 | Y157 L167 S171 P296 L298 | Y157-I169 HydrophobicContact CD1-CD1 3.31Å; Y157-I169 HydrophobicContact CD2-CD1 4.49Å; Y157-I169 HydrophobicContact CE1-CD1 3.51Å; Y157-I169 HydrophobicContact CG-CD1 3.86Å; L167-I169 HydrophobicContact CD1-CG1 4.13Å; L167-I169 HydrophobicContact CD2-CD1 4.16Å; L167-I169 HydrophobicContact CD2-CG1 4.4Å; L167-I169 HydrophobicContact CG-CD1 4.41Å; L167-I169 HydrophobicContact CG-CG1 4.11Å; I169-S171 PolarHBondContact O-N 3.5Å; I169-P296 HydrophobicContact CG2-CB 4.46Å; I169-L298 HydrophobicContact CG1-CB 4.23Å |
| 170 | H | 83.4 | Confident | 83.4 | Confident | 114 Ų | 114 | 59 Ų | 59 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | trans | -92.3 | 88.5 | 174.2 | -62.5 | -72.4 | 0 | 0 | 0 | 108.9 | D172 L297 | H170-D172 PolarHBondContact O-N 3.05Å; H170-L297 HydrophobicContact CB-CB 4.27Å; H170-L297 PolarHBondContact N-O 3.42Å | ||
| 171 | S | 66.1 | Low | 82.5 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 70% | 0.699 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.3 | -176.7 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | I169 S173 | I169-S171 PolarHBondContact O-N 3.5Å; S171-S173 PolarHBondContact O-N 3.26Å |
| 172 | D | 62.1 | Low | 81.8 | Confident | 158 Ų | 158 | 67 Ų | 67 | 85% | 0.845 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.7 | -164.2 | -61.6 | -6.4 | 0 | 0 | 0 | 113.8 | H170 | H170-D172 PolarHBondContact O-N 3.05Š|
| 173 | S | 60 | Low | 81.3 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | trans | -93.5 | 125.1 | 179.8 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | S171 Q175 L297 | S171-S173 PolarHBondContact O-N 3.26Å; S173-Q175 PolarHBondContact O-N 3.44Å; S173-Q175 VanDerWaalsContact O-N 3.09Å; S173-Q175 PolarHBondContact OG-O 2.92Å; S173-L297 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 174 | S | 68.4 | Low | 81 | Confident | 132 Ų | 132 | 69.6 Ų | 69.6 | 92% | 0.923 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -64 | -4.3 | 162.1 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 175 | Q | 76.6 | Confident | 80.7 | Confident | 93 Ų | 93 | 71 Ų | 71 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | trans | -88.4 | 142.4 | 178.1 | -63.4 | 177.3 | -24.3 | 0 | 0 | 110.8 | S173 E256 L297 | S173-Q175 PolarHBondContact O-N 3.44Å; S173-Q175 VanDerWaalsContact O-N 3.09Å; S173-Q175 PolarHBondContact OG-O 2.92Å; Q175-E256 HydrophobicContact CB-CG 4.42Å; Q175-E256 PolarHBondContact NE2-OE2 3.47Å; Q175-L297 HydrophobicContact CB-CD1 4.12Å | ||
| 176 | A | 82.2 | Confident | 80.6 | Confident | 29 Ų | 29 | 69 Ų | 69 | 24% | 0.24 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 153.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S178 S294 L295 | A176-S178 PolarHBondContact O-N 3.29Å; A176-S294 WeakPolarHBondContact CB-OG 3.23Å; A176-L295 CarbonylContact C-O 3.6Å; A176-L295 WeakPolarHBondContact CB-O 3.41Å |
| 177 | F | 84.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 106.3 | 174.5 | 179.2 | -87.9 | 0 | 0 | 0 | 108.9 | M179 P233 V254 K255 I259 S294 L295 | F177-M179 HydrophobicContact CE1-CB 4.44Å; F177-P233 HydrophobicContact CE1-CB 4.28Å; F177-P233 HydrophobicContact CE2-CB 3.69Å; F177-P233 HydrophobicContact CZ-CB 3.53Å; F177-V254 HydrophobicContact CB-CG1 3.66Å; F177-V254 HydrophobicContact CG-CG1 4.33Å; F177-K255 WeakPolarHBondContact CD2-O 3.49Å; F177-I259 HydrophobicContact CD1-CD1 3.89Å; F177-I259 HydrophobicContact CD1-CG1 4.31Å; F177-I259 HydrophobicContact CD2-CD1 4.41Å; F177-I259 HydrophobicContact CD2-CG1 3.95Å; F177-I259 HydrophobicContact CE1-CD1 3.6Å; F177-I259 HydrophobicContact CE1-CG1 4.16Å; F177-I259 HydrophobicContact CE2-CD1 4.13Å; F177-I259 HydrophobicContact CE2-CG1 3.76Å; F177-I259 HydrophobicContact CG-CD1 4.28Å; F177-I259 HydrophobicContact CG-CG1 4.21Å; F177-I259 HydrophobicContact CZ-CD1 3.72Å; F177-I259 HydrophobicContact CZ-CG1 3.87Å; F177-S294 CarbonylContact O-C 3.56Å; F177-S294 WeakPolarHBondContact O-CA 3.41Å; F177-S294 WeakPolarHBondContact O-CB 3.43Å; F177-L295 HydrophobicContact CB-CB 4.25Å; F177-L295 HydrophobicContact CD1-CB 4.46Å; F177-L295 PolarHBondContact N-O 3.34Å; F177-L295 PolarHBondContact O-N 3.23Å |
| 178 | S | 82.1 | Confident | 80.4 | Confident | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | trans | -101.9 | 130.1 | 177.4 | -173 | 0 | 0 | 0 | 0 | 110.7 | A176 P233 A293 | A176-S178 PolarHBondContact O-N 3.29Å; S178-P233 WeakPolarHBondContact O-CG 3.47Å; S178-A293 PolarHBondContact OG-O 3.32Å | ||
| 179 | M | 77.3 | Confident | 80.4 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | trans | -101.3 | 97.5 | 175.1 | -170.1 | 176.5 | 71.4 | 0 | 0 | 108.3 | F177 D181 V215 V280 L284 | F177-M179 HydrophobicContact CE1-CB 4.44Å; M179-D181 VanDerWaalsContact CG-O 3.29Å; M179-D181 WeakPolarHBondContact CG-O 3.38Å; M179-V215 HydrophobicContact CE-CG2 4Å; M179-V280 HydrophobicContact CE-CG1 4.35Å; M179-L284 HydrophobicContact CB-CD1 4.01Å; M179-L284 HydrophobicContact CE-CD1 4.15Å | ||
| 180 | V | 70.2 | Confident | 80.3 | Confident | 119 Ų | 119 | 62.8 Ų | 62.8 | 72% | 0.721 | 36% | 0.36 | S | S | * | . | trans | -77.6 | -39.3 | -176 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 181 | D | 74.1 | Confident | 80.5 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -105.4 | 145.6 | 178 | -66.9 | -41.1 | 0 | 0 | 0 | 110.5 | M179 K183 | M179-D181 VanDerWaalsContact CG-O 3.29Å; M179-D181 WeakPolarHBondContact CG-O 3.38Å; D181-K183 PolarHBondContact O-N 2.91Å |
| 182 | P | 79.9 | Confident | 81.5 | Confident | 79 Ų | 79 | 57 Ų | 57 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -73.3 | 33.8 | 174 | 34.1 | -37.2 | 0 | 0 | 0 | 112.2 | V215 E216 | P182-V215 WeakPolarHBondContact O-CA 3.26Å; P182-E216 PolarHBondContact O-N 3.44Å |
| 183 | K | 85.6 | Confident | 82.9 | Confident | 106 Ų | 106 | 53.8 Ų | 53.8 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117.9 | 180 | -61 | -164.9 | -177.9 | -124.9 | 0 | 109.8 | D181 E216 | D181-K183 PolarHBondContact O-N 2.91Å; K183-E216 CarbonylContact C-O 3.54Å; K183-E216 WeakPolarHBondContact CA-O 3.47Å; K183-E216 WeakPolarHBondContact CE-OE2 3.19Å; K183-E216 HydrophobicContact CG-CB 4.3Å; K183-E216 IonicContact NZ-OE1 2.63Å; K183-E216 IonicContact NZ-OE2 3.57Å; K183-E216 PolarHBondContact NZ-OE2 3.48Å |
| 184 | L | 88.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 108.7 | 180 | -167.7 | 63.8 | 0 | 0 | 0 | 109.5 | V186 W210 V215 E216 E218 V235 | L184-V186 HydrophobicContact CG-CG2 4.49Å; L184-W210 HydrophobicContact CD2-CE3 4.27Å; L184-W210 HydrophobicContact CD2-CH2 3.67Å; L184-W210 HydrophobicContact CD2-CZ2 4.46Å; L184-W210 HydrophobicContact CD2-CZ3 3.57Å; L184-V215 HydrophobicContact CB-CG1 3.87Å; L184-E216 PolarHBondContact N-O 3.11Å; L184-E218 PolarHBondContact O-N 3.2Å; L184-V235 HydrophobicContact CD1-CG2 3.64Å; L184-V235 HydrophobicContact CD2-CG2 3.89Å; L184-V235 HydrophobicContact CG-CG2 3.82Å |
| 185 | K | 90.8 | Very high | 85.4 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 120.2 | 175.4 | -68.1 | 176.5 | -177.1 | 169.4 | 0 | 109.5 | Y187 E218 K220 S234 V235 | K185-Y187 HydrophobicContact CB-CE2 3.83Å; K185-E218 CarbonylContact C-O 3.6Å; K185-E218 WeakPolarHBondContact CA-O 3.5Å; K185-K220 HydrophobicContact CB-CG 4.3Å; K185-S234 CarbonylContact O-C 3.57Å; K185-S234 WeakPolarHBondContact O-CA 3.28Å; K185-V235 PolarHBondContact O-N 2.87Å |
| 186 | V | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.9 | -179.7 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | L184 F188 W203 V217 E218 F219 K220 V235 | L184-V186 HydrophobicContact CG-CG2 4.49Å; V186-F188 HydrophobicContact CG1-CE1 3.88Å; V186-F188 HydrophobicContact CG1-CZ 4.26Å; V186-W203 HydrophobicContact CG1-CD2 4.47Å; V186-W203 HydrophobicContact CG1-CH2 4.43Å; V186-W203 HydrophobicContact CG1-CZ2 3.93Å; V186-W203 HydrophobicContact CG2-CE3 4.33Å; V186-W203 HydrophobicContact CG2-CH2 3.84Å; V186-W203 HydrophobicContact CG2-CZ2 4.18Å; V186-W203 HydrophobicContact CG2-CZ3 3.91Å; V186-V217 HydrophobicContact CB-CG1 4.46Å; V186-V217 HydrophobicContact CG2-CG1 3.62Å; V186-E218 PolarHBondContact N-O 3.04Å; V186-F219 HydrophobicContact CB-CD1 4.06Å; V186-F219 HydrophobicContact CB-CE1 4.45Å; V186-F219 HydrophobicContact CG1-CD1 4.31Å; V186-K220 PolarHBondContact O-N 3.01Å; V186-V235 CarbonylContact C-O 3.55Å; V186-V235 WeakPolarHBondContact CA-O 3.42Å; V186-V235 HydrophobicContact CG2-CB 4.24Å |
| 187 | Y | 92.2 | Very high | 86.3 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 154.1 | 175.5 | -66.2 | -98.7 | 0 | 0 | 0 | 109.7 | K185 K220 H221 V223 F230 V235 V236 C237 | K185-Y187 HydrophobicContact CB-CE2 3.83Å; Y187-K220 HydrophobicContact CD1-CB 3.56Å; Y187-K220 HydrophobicContact CD1-CG 4.46Å; Y187-K220 HydrophobicContact CD2-CB 4.31Å; Y187-K220 HydrophobicContact CE1-CB 3.39Å; Y187-K220 HydrophobicContact CE1-CG 3.95Å; Y187-K220 HydrophobicContact CE2-CB 4.16Å; Y187-K220 HydrophobicContact CE2-CG 4.07Å; Y187-K220 HydrophobicContact CG-CB 4.03Å; Y187-H221 WeakPolarHBondContact CD1-O 3.45Å; Y187-V223 HydrophobicContact CD1-CG2 3.6Å; Y187-V223 HydrophobicContact CG-CG2 4.02Å; Y187-F230 HydrophobicContact CD1-CE1 4.03Å; Y187-F230 HydrophobicContact CD1-CZ 4.23Å; Y187-F230 HydrophobicContact CD2-CE1 4.16Å; Y187-F230 HydrophobicContact CD2-CE2 4.4Å; Y187-F230 AromaticContact CD2-CZ 3.97Å; Y187-F230 HydrophobicContact CD2-CZ 3.97Å; Y187-F230 HydrophobicContact CE1-CD1 4.46Å; Y187-F230 AromaticContact CE1-CE1 3.84Å; Y187-F230 HydrophobicContact CE1-CE1 3.84Å; Y187-F230 HydrophobicContact CE1-CZ 4.45Å; Y187-F230 HydrophobicContact CE2-CD1 4.21Å; Y187-F230 AromaticContact CE2-CE1 3.99Å; Y187-F230 HydrophobicContact CE2-CE1 3.99Å; Y187-F230 HydrophobicContact CE2-CZ 4.22Å; Y187-F230 HydrophobicContact CG-CE1 4.19Å; Y187-F230 AromaticContact CG-CZ 3.99Å; Y187-F230 HydrophobicContact CG-CZ 3.99Å; Y187-F230 AromaticContact CZ-CE1 3.82Å; Y187-V235 PolarHBondContact N-O 3.22Å; Y187-V236 CarbonylContact O-C 3.59Å; Y187-V236 WeakPolarHBondContact O-CA 3.43Å; Y187-C237 PolarHBondContact O-N 3.21Å |
| 188 | F | 91.9 | Very high | 86.7 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143 | 179.7 | -53 | -63.4 | 0 | 0 | 0 | 112.1 | V186 S190 A196 V199 M200 F219 D222 V223 C237 | V186-F188 HydrophobicContact CG1-CE1 3.88Å; V186-F188 HydrophobicContact CG1-CZ 4.26Å; F188-S190 PolarHBondContact O-N 3.4Å; F188-A196 HydrophobicContact CD2-CB 4.46Å; F188-V199 HydrophobicContact CD1-CB 4.38Å; F188-V199 HydrophobicContact CD1-CG1 3.55Å; F188-V199 HydrophobicContact CE1-CB 4.44Å; F188-V199 HydrophobicContact CE1-CG1 3.58Å; F188-M200 HydrophobicContact CE1-CG 4.21Å; F188-M200 HydrophobicContact CE2-CG 3.49Å; F188-M200 VanDerWaalsContact CE2-CG 3.49Å; F188-M200 HydrophobicContact CE2-SD 3.94Å; F188-M200 HydrophobicContact CZ-CB 4.47Å; F188-M200 HydrophobicContact CZ-CG 3.29Å; F188-M200 HydrophobicContact CZ-SD 4.34Å; F188-F219 HydrophobicContact CE1-CD1 4.41Å; F188-F219 HydrophobicContact CE2-CB 4.25Å; F188-F219 HydrophobicContact CE2-CD1 4.18Å; F188-F219 HydrophobicContact CZ-CB 4.39Å; F188-F219 AromaticContact CZ-CD1 3.49Å; F188-F219 HydrophobicContact CZ-CD1 3.49Å; F188-F219 VanDerWaalsContact CZ-CD1 3.49Å; F188-F219 HydrophobicContact CZ-CE1 4.08Å; F188-F219 HydrophobicContact CZ-CG 4.2Å; F188-D222 CarbonylContact O-C 3.58Å; F188-D222 WeakPolarHBondContact O-CA 3.39Å; F188-V223 PolarHBondContact O-N 3.08Å; F188-C237 CarbonylContact C-O 3.59Å; F188-C237 VanDerWaalsContact CA-O 3.29Å; F188-C237 WeakPolarHBondContact CA-O 3.4Å |
| 189 | F | 90.1 | Very high | 87.3 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -69.4 | 121 | 169.8 | -78.2 | -71.3 | 0 | 0 | 0 | 110.3 | N191 S192 W226 F228 V236 C237 L240 I262 | F189-N191 PolarHBondContact O-N 3.39Å; F189-S192 WeakPolarHBondContact O-CB 3.34Å; F189-S192 PolarHBondContact O-N 2.89Å; F189-S192 VanDerWaalsContact O-N 3.1Å; F189-W226 HydrophobicContact CD1-CH2 4.4Å; F189-W226 HydrophobicContact CD1-CZ3 4.4Å; F189-W226 HydrophobicContact CE1-CD2 4.04Å; F189-W226 AromaticContact CE1-CE3 3.54Å; F189-W226 HydrophobicContact CE1-CE3 3.54Å; F189-W226 AromaticContact CE1-CH2 3.83Å; F189-W226 HydrophobicContact CE1-CH2 3.83Å; F189-W226 HydrophobicContact CE1-CZ2 4.28Å; F189-W226 AromaticContact CE1-CZ3 3.42Å; F189-W226 HydrophobicContact CE1-CZ3 3.42Å; F189-W226 VanDerWaalsContact CE1-CZ3 3.42Å; F189-W226 HydrophobicContact CE2-CZ3 4.26Å; F189-W226 AromaticContact CZ-CE3 3.75Å; F189-W226 HydrophobicContact CZ-CE3 3.75Å; F189-W226 AromaticContact CZ-CH2 3.97Å; F189-W226 HydrophobicContact CZ-CH2 3.97Å; F189-W226 AromaticContact CZ-CZ3 3.34Å; F189-W226 HydrophobicContact CZ-CZ3 3.34Å; F189-F228 HydrophobicContact CE1-CE1 4.44Å; F189-F228 AromaticContact CE1-CZ 3.8Å; F189-F228 HydrophobicContact CE1-CZ 3.8Å; F189-F228 AromaticContact CZ-CZ 3.93Å; F189-F228 HydrophobicContact CZ-CZ 3.93Å; F189-V236 HydrophobicContact CD1-CG1 4.17Å; F189-V236 HydrophobicContact CD2-CG1 3.94Å; F189-V236 HydrophobicContact CE1-CG1 3.88Å; F189-V236 HydrophobicContact CE2-CB 4.32Å; F189-V236 HydrophobicContact CE2-CG1 3.6Å; F189-V236 HydrophobicContact CG-CG1 4.2Å; F189-V236 HydrophobicContact CZ-CB 4.31Å; F189-V236 HydrophobicContact CZ-CG1 3.57Å; F189-C237 PolarHBondContact N-O 3.44Å; F189-L240 HydrophobicContact CD2-CD1 4.43Å; F189-I262 HydrophobicContact CD2-CG2 4.03Å; F189-I262 HydrophobicContact CE2-CG2 3.44Å; F189-I262 VanDerWaalsContact CE2-CG2 3.44Å; F189-I262 HydrophobicContact CZ-CG2 4.15Å |
| 190 | S | 85.9 | Confident | 88 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.6 | 176.5 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | F188 S192 V223 P224 | F188-S190 PolarHBondContact O-N 3.4Å; S190-S192 VanDerWaalsContact C-N 3.33Å; S190-V223 PolarHBondContact N-O 2.65Å; S190-V223 PolarHBondContact OG-O 2.9Å; S190-V223 VanDerWaalsContact OG-O 3.1Å; S190-P224 VanDerWaalsContact OG-CA 3.32Å; S190-P224 WeakPolarHBondContact OG-CA 3.29Å |
| 191 | N | 87.4 | Confident | 89.2 | Confident | 69 Ų | 69 | 53 Ų | 53 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 18 | 177.1 | 67.2 | -16.8 | 0 | 0 | 0 | 113.3 | F189 L240 | F189-N191 PolarHBondContact O-N 3.39Å; N191-L240 WeakPolarHBondContact O-CD2 3.4Å |
| 192 | S | 88.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 49 Ų | 49 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | trans | -61 | 136.3 | 173.4 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | F189 S190 S194 V239 | F189-S192 WeakPolarHBondContact O-CB 3.34Å; F189-S192 PolarHBondContact O-N 2.89Å; F189-S192 VanDerWaalsContact O-N 3.1Å; S190-S192 VanDerWaalsContact C-N 3.33Å; S192-S194 VanDerWaalsContact C-N 3.26Å; S192-S194 WeakPolarHBondContact CB-O 3.49Å; S192-S194 PolarHBondContact O-N 3.34Å; S192-S194 PolarHBondContact OG-N 3.01Å; S192-S194 PolarHBondContact OG-O 3.34Å; S192-V239 CarbonylContact C-O 3.49Å; S192-V239 VanDerWaalsContact CA-O 3.23Å; S192-V239 WeakPolarHBondContact CA-O 3.44Å; S192-V239 PolarHBondContact OG-N 2.82Å; S192-V239 VanDerWaalsContact OG-N 3.11Å; S192-V239 PolarHBondContact OG-O 3.39Å | ||
| 193 | T | 90.8 | Very high | 90.9 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 55% | 0.552 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -68.6 | -28 | 175.5 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | V239 A241 | T193-V239 PolarHBondContact N-O 2.99Å; T193-V239 VanDerWaalsContact OG1-CG1 3.26Å; T193-V239 WeakPolarHBondContact OG1-CG1 3.39Å; T193-V239 PolarHBondContact OG1-O 3.44Å; T193-A241 HydrophobicContact CG2-CB 4.33Å |
| 194 | S | 90.3 | Very high | 91.4 | Very high | 25 Ų | 25 | 45 Ų | 45 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -95.8 | 148.9 | 173.7 | -60 | 0 | 0 | 0 | 0 | 110.5 | S192 | S192-S194 VanDerWaalsContact C-N 3.26Å; S192-S194 WeakPolarHBondContact CB-O 3.49Å; S192-S194 PolarHBondContact O-N 3.34Å; S192-S194 PolarHBondContact OG-N 3.01Å; S192-S194 PolarHBondContact OG-O 3.34Å |
| 195 | S | 90.1 | Very high | 91.6 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | trans | -64.6 | 150.6 | 179.6 | 81.2 | 0 | 0 | 0 | 0 | 111.1 | K197 D198 V199 | S195-K197 PolarHBondContact O-N 3.13Å; S195-K197 VanDerWaalsContact O-N 3.14Å; S195-D198 WeakPolarHBondContact CB-OD2 3.32Å; S195-D198 PolarHBondContact N-OD2 3.17Å; S195-D198 PolarHBondContact O-N 3.31Å; S195-D198 PolarHBondContact OG-N 2.91Å; S195-D198 PolarHBondContact OG-OD2 3.22Å; S195-V199 PolarHBondContact O-N 2.81Å; S195-V199 VanDerWaalsContact O-N 3.14Å | ||
| 196 | A | 88.4 | Confident | 91.8 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.9 | -31.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F188 V199 M200 | F188-A196 HydrophobicContact CD2-CB 4.46Å; A196-V199 PolarHBondContact O-N 3.19Å; A196-M200 VanDerWaalsContact O-CB 3.3Å; A196-M200 WeakPolarHBondContact O-CB 3.4Å; A196-M200 WeakPolarHBondContact O-CG 3.3Å; A196-M200 PolarHBondContact O-N 2.87Å |
| 197 | K | 90.7 | Very high | 91.8 | Very high | 159 Ų | 159 | 48.2 Ų | 48.2 | 69% | 0.691 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 175.7 | -65 | -179.7 | -179.5 | 177.7 | 0 | 112 | S195 M200 N201 | S195-K197 PolarHBondContact O-N 3.13Å; S195-K197 VanDerWaalsContact O-N 3.14Å; K197-M200 PolarHBondContact O-N 2.91Å; K197-N201 WeakPolarHBondContact O-CB 3.39Å; K197-N201 PolarHBondContact O-N 2.81Å; K197-N201 PolarHBondContact O-ND2 3.38Å; K197-N201 PolarHBondContact O-OD1 3.33Å |
| 198 | D | 93.1 | Very high | 91.7 | Very high | 67 Ų | 67 | 48 Ų | 48 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | -179.7 | -55.6 | -43.6 | 0 | 0 | 0 | 111.1 | S195 N201 V202 L266 | S195-D198 WeakPolarHBondContact CB-OD2 3.32Å; S195-D198 PolarHBondContact N-OD2 3.17Å; S195-D198 PolarHBondContact O-N 3.31Å; S195-D198 PolarHBondContact OG-N 2.91Å; S195-D198 PolarHBondContact OG-OD2 3.22Å; D198-N201 WeakPolarHBondContact O-CB 3.38Å; D198-N201 PolarHBondContact O-N 3.33Å; D198-V202 PolarHBondContact O-N 2.91Å; D198-L266 HydrophobicContact CB-CD1 3.97Å; D198-L266 HydrophobicContact CB-CD2 4.02Å |
| 199 | V | 93.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 174.3 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | F188 S195 A196 N201 V202 W203 V239 L266 L269 | F188-V199 HydrophobicContact CD1-CB 4.38Å; F188-V199 HydrophobicContact CD1-CG1 3.55Å; F188-V199 HydrophobicContact CE1-CB 4.44Å; F188-V199 HydrophobicContact CE1-CG1 3.58Å; S195-V199 PolarHBondContact O-N 2.81Å; S195-V199 VanDerWaalsContact O-N 3.14Å; A196-V199 PolarHBondContact O-N 3.19Å; V199-N201 VanDerWaalsContact C-N 3.31Å; V199-N201 PolarHBondContact O-N 2.95Å; V199-V202 PolarHBondContact O-N 3.49Å; V199-W203 VanDerWaalsContact O-CD1 3.31Å; V199-W203 PolarHBondContact O-N 3.29Å; V199-V239 HydrophobicContact CG2-CG2 4.24Å; V199-L266 HydrophobicContact CG2-CD2 4.38Å; V199-L269 HydrophobicContact CB-CD2 4.25Å; V199-L269 HydrophobicContact CG1-CD2 3.74Å; V199-L269 HydrophobicContact CG2-CD2 4.29Å |
| 200 | M | 93.2 | Very high | 91.8 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 175.7 | -76.3 | 175 | 73.4 | 0 | 0 | 112.5 | F188 A196 K197 V202 W203 Q204 F219 | F188-M200 HydrophobicContact CE1-CG 4.21Å; F188-M200 HydrophobicContact CE2-CG 3.49Å; F188-M200 VanDerWaalsContact CE2-CG 3.49Å; F188-M200 HydrophobicContact CE2-SD 3.94Å; F188-M200 HydrophobicContact CZ-CB 4.47Å; F188-M200 HydrophobicContact CZ-CG 3.29Å; F188-M200 HydrophobicContact CZ-SD 4.34Å; A196-M200 VanDerWaalsContact O-CB 3.3Å; A196-M200 WeakPolarHBondContact O-CB 3.4Å; A196-M200 WeakPolarHBondContact O-CG 3.3Å; A196-M200 PolarHBondContact O-N 2.87Å; K197-M200 PolarHBondContact O-N 2.91Å; M200-V202 VanDerWaalsContact C-N 3.33Å; M200-V202 PolarHBondContact O-N 2.95Å; M200-W203 PolarHBondContact O-N 3.4Å; M200-Q204 WeakPolarHBondContact O-CG 3.34Å; M200-Q204 PolarHBondContact O-N 3.36Å; M200-F219 HydrophobicContact CE-CB 4.29Å; M200-F219 HydrophobicContact CE-CD2 3.94Å; M200-F219 HydrophobicContact CE-CG 4.15Å |
| 201 | N | 94.6 | Very high | 92 | Very high | 82 Ų | 82 | 53 Ų | 53 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 179 | -70.5 | -18.5 | 0 | 0 | 0 | 111.4 | K197 D198 V199 W203 Q204 V205 | K197-N201 WeakPolarHBondContact O-CB 3.39Å; K197-N201 PolarHBondContact O-N 2.81Å; K197-N201 PolarHBondContact O-ND2 3.38Å; K197-N201 PolarHBondContact O-OD1 3.33Å; D198-N201 WeakPolarHBondContact O-CB 3.38Å; D198-N201 PolarHBondContact O-N 3.33Å; V199-N201 VanDerWaalsContact C-N 3.31Å; V199-N201 PolarHBondContact O-N 2.95Å; N201-W203 VanDerWaalsContact C-N 3.34Å; N201-W203 PolarHBondContact O-N 3.5Å; N201-Q204 PolarHBondContact O-N 3.38Å; N201-V205 WeakPolarHBondContact O-CG2 3.38Å; N201-V205 PolarHBondContact O-N 3.05Å |
| 202 | V | 95.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | D198 V199 M200 Q204 V205 L206 L266 L269 I273 | D198-V202 PolarHBondContact O-N 2.91Å; V199-V202 PolarHBondContact O-N 3.49Å; M200-V202 VanDerWaalsContact C-N 3.33Å; M200-V202 PolarHBondContact O-N 2.95Å; V202-Q204 VanDerWaalsContact C-N 3.34Å; V202-Q204 PolarHBondContact O-N 3.22Å; V202-V205 PolarHBondContact O-N 2.92Å; V202-L206 HydrophobicContact CG1-CD1 4.32Å; V202-L206 WeakPolarHBondContact O-CG 3.36Å; V202-L206 PolarHBondContact O-N 3.49Å; V202-L266 HydrophobicContact CG2-CB 4.34Å; V202-L266 HydrophobicContact CG2-CD2 4.19Å; V202-L269 HydrophobicContact CB-CD2 4.24Å; V202-L269 HydrophobicContact CG1-CD2 4.43Å; V202-L269 HydrophobicContact CG1-CG 4.5Å; V202-L269 HydrophobicContact CG2-CD2 4.39Å; V202-I273 HydrophobicContact CG1-CD1 3.85Å |
| 203 | W | 95.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 175.7 | -79.8 | 91.1 | 0 | 0 | 0 | 113 | V186 V199 M200 N201 L206 S207 W210 V217 F219 V235 C237 L261 I273 L276 | V186-W203 HydrophobicContact CG1-CD2 4.47Å; V186-W203 HydrophobicContact CG1-CH2 4.43Å; V186-W203 HydrophobicContact CG1-CZ2 3.93Å; V186-W203 HydrophobicContact CG2-CE3 4.33Å; V186-W203 HydrophobicContact CG2-CH2 3.84Å; V186-W203 HydrophobicContact CG2-CZ2 4.18Å; V186-W203 HydrophobicContact CG2-CZ3 3.91Å; V199-W203 VanDerWaalsContact O-CD1 3.31Å; V199-W203 PolarHBondContact O-N 3.29Å; M200-W203 PolarHBondContact O-N 3.4Å; N201-W203 VanDerWaalsContact C-N 3.34Å; N201-W203 PolarHBondContact O-N 3.5Å; W203-L206 CarbonylContact O-C 3.58Å; W203-L206 PolarHBondContact O-N 3.37Å; W203-S207 PolarHBondContact O-N 3.11Å; W203-W210 HydrophobicContact CE3-CZ2 4.32Å; W203-W210 AromaticContact CE3-NE1 3.84Å; W203-W210 AromaticContact CH2-CZ2 3.92Å; W203-W210 HydrophobicContact CH2-CZ2 3.92Å; W203-W210 AromaticContact CZ3-CE2 3.64Å; W203-W210 HydrophobicContact CZ3-CH2 4.22Å; W203-W210 AromaticContact CZ3-CZ2 3.39Å; W203-W210 HydrophobicContact CZ3-CZ2 3.39Å; W203-W210 AromaticContact CZ3-NE1 3.76Å; W203-V217 HydrophobicContact CE3-CG1 4.06Å; W203-V217 HydrophobicContact CZ3-CG1 4.28Å; W203-F219 HydrophobicContact CB-CE1 3.66Å; W203-F219 HydrophobicContact CB-CZ 3.62Å; W203-F219 HydrophobicContact CD2-CE1 4.37Å; W203-F219 AromaticContact CG-CE1 3.92Å; W203-F219 HydrophobicContact CG-CE1 3.92Å; W203-F219 HydrophobicContact CG-CZ 4.37Å; W203-V235 HydrophobicContact CH2-CG1 4.23Å; W203-V235 HydrophobicContact CZ2-CG1 4.15Å; W203-C237 HydrophobicContact CZ2-CB 4.45Å; W203-C237 PolarHBondContact NE1-SG 3.33Å; W203-L261 HydrophobicContact CZ2-CD2 4.36Å; W203-I273 HydrophobicContact CD2-CD1 3.81Å; W203-I273 HydrophobicContact CD2-CG1 4.27Å; W203-I273 HydrophobicContact CE3-CD1 4.49Å; W203-I273 HydrophobicContact CG-CD1 3.88Å; W203-I273 HydrophobicContact CH2-CG1 4.42Å; W203-I273 HydrophobicContact CZ2-CD1 4.32Å; W203-I273 HydrophobicContact CZ2-CG1 4.01Å; W203-L276 HydrophobicContact CH2-CD2 4.18Å |
| 204 | Q | 94.5 | Very high | 91.5 | Very high | 97 Ų | 97 | 58.3 Ų | 58.3 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 179.5 | -74.4 | 177.4 | 5.7 | 0 | 0 | 112.3 | M200 N201 V202 L206 S207 F219 | M200-Q204 WeakPolarHBondContact O-CG 3.34Å; M200-Q204 PolarHBondContact O-N 3.36Å; N201-Q204 PolarHBondContact O-N 3.38Å; V202-Q204 VanDerWaalsContact C-N 3.34Å; V202-Q204 PolarHBondContact O-N 3.22Å; Q204-L206 VanDerWaalsContact C-N 3.27Å; Q204-L206 PolarHBondContact O-N 3.12Å; Q204-S207 WeakPolarHBondContact O-CB 3.48Å; Q204-S207 PolarHBondContact O-N 2.99Å; Q204-S207 VanDerWaalsContact O-N 3.12Å; Q204-S207 PolarHBondContact O-OG 2.71Å; Q204-F219 HydrophobicContact CG-CE2 4.25Å; Q204-F219 HydrophobicContact CG-CZ 4.43Å |
| 205 | V | 94.6 | Very high | 91.4 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 38% | 0.376 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 174.5 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | N201 V202 S207 S371 L372 | N201-V205 WeakPolarHBondContact O-CG2 3.38Å; N201-V205 PolarHBondContact O-N 3.05Å; V202-V205 PolarHBondContact O-N 2.92Å; V205-S207 VanDerWaalsContact C-N 3.26Å; V205-S207 PolarHBondContact O-N 3.21Å; V205-S371 WeakPolarHBondContact CG1-O 3.36Å; V205-L372 HydrophobicContact CG1-CD2 3.96Å |
| 206 | L | 94.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.3 | 179.4 | -58.8 | 179.6 | 0 | 0 | 0 | 113.9 | V202 W203 Q204 G208 L209 I273 L372 | V202-L206 HydrophobicContact CG1-CD1 4.32Å; V202-L206 WeakPolarHBondContact O-CG 3.36Å; V202-L206 PolarHBondContact O-N 3.49Å; W203-L206 CarbonylContact O-C 3.58Å; W203-L206 PolarHBondContact O-N 3.37Å; Q204-L206 VanDerWaalsContact C-N 3.27Å; Q204-L206 PolarHBondContact O-N 3.12Å; L206-G208 PolarHBondContact O-N 2.85Å; L206-G208 VanDerWaalsContact O-N 3.14Å; L206-L209 HydrophobicContact CB-CD1 4.38Å; L206-L209 HydrophobicContact CD2-CD1 4.29Å; L206-L209 WeakPolarHBondContact O-CB 3.44Å; L206-L209 PolarHBondContact O-N 3.41Å; L206-L209 VanDerWaalsContact O-N 3.08Å; L206-I273 HydrophobicContact CB-CG2 4.19Å; L206-I273 HydrophobicContact CD1-CB 3.83Å; L206-I273 HydrophobicContact CD1-CD1 4.2Å; L206-I273 HydrophobicContact CD1-CG2 3.63Å; L206-L372 HydrophobicContact CD2-CD2 4.37Å |
| 207 | S | 93.4 | Very high | 91.5 | Very high | 44 Ų | 44 | 60 Ų | 60 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -26.8 | -178.1 | 65 | 0 | 0 | 0 | 0 | 113.7 | W203 Q204 V205 L209 W210 K211 | W203-S207 PolarHBondContact O-N 3.11Å; Q204-S207 WeakPolarHBondContact O-CB 3.48Å; Q204-S207 PolarHBondContact O-N 2.99Å; Q204-S207 VanDerWaalsContact O-N 3.12Å; Q204-S207 PolarHBondContact O-OG 2.71Å; V205-S207 VanDerWaalsContact C-N 3.26Å; V205-S207 PolarHBondContact O-N 3.21Å; S207-L209 VanDerWaalsContact C-N 3.27Å; S207-L209 PolarHBondContact O-N 2.74Å; S207-W210 PolarHBondContact O-N 2.84Å; S207-K211 WeakPolarHBondContact O-CG 3.43Å; S207-K211 PolarHBondContact O-N 3.34Å; S207-K211 VanDerWaalsContact O-N 3.1Å |
| 208 | G | 90.4 | Very high | 91.5 | Very high | 36 Ų | 36 | 56 Ų | 56 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.7 | -37.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L206 W210 K211 I212 | L206-G208 PolarHBondContact O-N 2.85Å; L206-G208 VanDerWaalsContact O-N 3.14Å; G208-W210 PolarHBondContact O-N 2.93Å; G208-K211 PolarHBondContact O-N 2.96Å; G208-I212 WeakPolarHBondContact O-CG1 2.99Å; G208-I212 PolarHBondContact O-N 2.99Å |
| 209 | L | 91.4 | Very high | 91.4 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 179.1 | -60.9 | -179.7 | 0 | 0 | 0 | 111.3 | L206 S207 I212 L213 V277 | L206-L209 HydrophobicContact CB-CD1 4.38Å; L206-L209 HydrophobicContact CD2-CD1 4.29Å; L206-L209 WeakPolarHBondContact O-CB 3.44Å; L206-L209 PolarHBondContact O-N 3.41Å; L206-L209 VanDerWaalsContact O-N 3.08Å; S207-L209 VanDerWaalsContact C-N 3.27Å; S207-L209 PolarHBondContact O-N 2.74Å; L209-I212 PolarHBondContact O-N 3.45Å; L209-L213 PolarHBondContact O-N 3.44Å; L209-V277 HydrophobicContact CB-CG1 4.05Å; L209-V277 HydrophobicContact CB-CG2 4.07Å; L209-V277 HydrophobicContact CD1-CG2 4.35Å |
| 210 | W | 91.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 179.2 | -60.3 | 99.9 | 0 | 0 | 0 | 113 | L184 W203 S207 G208 I212 L213 K214 V215 V217 I273 L276 V277 V280 | L184-W210 HydrophobicContact CD2-CE3 4.27Å; L184-W210 HydrophobicContact CD2-CH2 3.67Å; L184-W210 HydrophobicContact CD2-CZ2 4.46Å; L184-W210 HydrophobicContact CD2-CZ3 3.57Å; W203-W210 HydrophobicContact CE3-CZ2 4.32Å; W203-W210 AromaticContact CE3-NE1 3.84Å; W203-W210 AromaticContact CH2-CZ2 3.92Å; W203-W210 HydrophobicContact CH2-CZ2 3.92Å; W203-W210 AromaticContact CZ3-CE2 3.64Å; W203-W210 HydrophobicContact CZ3-CH2 4.22Å; W203-W210 AromaticContact CZ3-CZ2 3.39Å; W203-W210 HydrophobicContact CZ3-CZ2 3.39Å; W203-W210 AromaticContact CZ3-NE1 3.76Å; S207-W210 PolarHBondContact O-N 2.84Å; G208-W210 PolarHBondContact O-N 2.93Å; W210-I212 VanDerWaalsContact C-N 3.33Å; W210-I212 PolarHBondContact O-N 2.81Å; W210-L213 CarbonylContact O-C 3.54Å; W210-L213 WeakPolarHBondContact O-CB 3.47Å; W210-L213 PolarHBondContact O-N 3.25Å; W210-L213 VanDerWaalsContact O-N 3.13Å; W210-K214 PolarHBondContact O-N 3.33Å; W210-K214 VanDerWaalsContact O-N 3.17Å; W210-V215 HydrophobicContact CE3-CB 4.25Å; W210-V215 HydrophobicContact CE3-CG1 4.13Å; W210-V215 PolarHBondContact O-N 3.21Å; W210-V217 HydrophobicContact CB-CG2 3.93Å; W210-V217 HydrophobicContact CD2-CG2 3.83Å; W210-V217 HydrophobicContact CE3-CG2 4.25Å; W210-V217 HydrophobicContact CG-CG2 3.67Å; W210-I273 HydrophobicContact CZ2-CG2 4.12Å; W210-L276 HydrophobicContact CH2-CD2 3.85Å; W210-L276 HydrophobicContact CH2-CG 3.91Å; W210-L276 HydrophobicContact CZ2-CD2 4.24Å; W210-V277 HydrophobicContact CD2-CG2 4.01Å; W210-V277 HydrophobicContact CE3-CG2 4.37Å; W210-V277 HydrophobicContact CH2-CG2 3.95Å; W210-V277 HydrophobicContact CZ2-CG2 3.53Å; W210-V277 HydrophobicContact CZ3-CG2 4.34Å; W210-V280 HydrophobicContact CZ3-CG2 4.46Å |
| 211 | K | 89.6 | Confident | 90.3 | Very high | 151 Ų | 151 | 64.4 Ų | 64.4 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 174.6 | -72.8 | 174 | -176.6 | 173.6 | 0 | 112.1 | S207 G208 L213 K214 | S207-K211 WeakPolarHBondContact O-CG 3.43Å; S207-K211 PolarHBondContact O-N 3.34Å; S207-K211 VanDerWaalsContact O-N 3.1Å; G208-K211 PolarHBondContact O-N 2.96Å; K211-L213 PolarHBondContact O-N 2.95Å; K211-K214 PolarHBondContact O-N 3.32Å |
| 212 | I | 85.1 | Confident | 89.5 | Confident | 99 Ų | 99 | 64.7 Ų | 64.7 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 175.3 | -67.6 | 165.2 | 0 | 0 | 0 | 110.5 | G208 L209 W210 K214 | G208-I212 WeakPolarHBondContact O-CG1 2.99Å; G208-I212 PolarHBondContact O-N 2.99Å; L209-I212 PolarHBondContact O-N 3.45Å; W210-I212 VanDerWaalsContact C-N 3.33Å; W210-I212 PolarHBondContact O-N 2.81Å; I212-K214 PolarHBondContact O-N 2.96Å |
| 213 | L | 85.1 | Confident | 88.7 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -3.3 | 176.1 | -58.1 | -171.5 | 0 | 0 | 0 | 114.2 | L209 W210 K211 V215 V277 V280 R281 L285 | L209-L213 PolarHBondContact O-N 3.44Å; W210-L213 CarbonylContact O-C 3.54Å; W210-L213 WeakPolarHBondContact O-CB 3.47Å; W210-L213 PolarHBondContact O-N 3.25Å; W210-L213 VanDerWaalsContact O-N 3.13Å; K211-L213 PolarHBondContact O-N 2.95Å; L213-V215 HydrophobicContact CB-CG2 4.02Å; L213-V215 PolarHBondContact O-N 3.47Å; L213-V277 HydrophobicContact CD1-CG1 3.96Å; L213-V280 HydrophobicContact CD1-CB 4.43Å; L213-V280 HydrophobicContact CD1-CG1 4.04Å; L213-R281 HydrophobicContact CD1-CB 4.32Å; L213-R281 HydrophobicContact CD2-CB 3.79Å; L213-R281 HydrophobicContact CD2-CG 3.83Å; L213-L285 HydrophobicContact CB-CD1 3.71Å; L213-L285 HydrophobicContact CD1-CD1 4.34Å; L213-L285 HydrophobicContact CD2-CD1 3.9Å; L213-L285 HydrophobicContact CG-CD1 4.17Å |
| 214 | K | 85.7 | Confident | 87.4 | Confident | 179 Ų | 179 | 69.3 Ų | 69.3 | 78% | 0.778 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 31.3 | -171.9 | -54.6 | 179 | -179.1 | 175.6 | 0 | 113.4 | W210 K211 I212 | W210-K214 PolarHBondContact O-N 3.33Å; W210-K214 VanDerWaalsContact O-N 3.17Å; K211-K214 PolarHBondContact O-N 3.32Å; I212-K214 PolarHBondContact O-N 2.96Å |
| 215 | V | 88.5 | Confident | 86 | Confident | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 123.8 | 175.7 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | M179 P182 L184 W210 L213 | M179-V215 HydrophobicContact CE-CG2 4Å; P182-V215 WeakPolarHBondContact O-CA 3.26Å; L184-V215 HydrophobicContact CB-CG1 3.87Å; W210-V215 HydrophobicContact CE3-CB 4.25Å; W210-V215 HydrophobicContact CE3-CG1 4.13Å; W210-V215 PolarHBondContact O-N 3.21Å; L213-V215 HydrophobicContact CB-CG2 4.02Å; L213-V215 PolarHBondContact O-N 3.47Å |
| 216 | E | 89.3 | Confident | 84.6 | Confident | 104 Ų | 104 | 69.7 Ų | 69.7 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.9 | 174.6 | -172.4 | -177.7 | -178.3 | 0 | 0 | 109.7 | P182 K183 L184 | P182-E216 PolarHBondContact O-N 3.44Å; K183-E216 CarbonylContact C-O 3.54Å; K183-E216 WeakPolarHBondContact CA-O 3.47Å; K183-E216 WeakPolarHBondContact CE-OE2 3.19Å; K183-E216 HydrophobicContact CG-CB 4.3Å; K183-E216 IonicContact NZ-OE1 2.63Å; K183-E216 IonicContact NZ-OE2 3.57Å; K183-E216 PolarHBondContact NZ-OE2 3.48Å; L184-E216 PolarHBondContact N-O 3.11Å |
| 217 | V | 91.8 | Very high | 83.5 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | V186 W203 W210 F219 | V186-V217 HydrophobicContact CB-CG1 4.46Å; V186-V217 HydrophobicContact CG2-CG1 3.62Å; W203-V217 HydrophobicContact CE3-CG1 4.06Å; W203-V217 HydrophobicContact CZ3-CG1 4.28Å; W210-V217 HydrophobicContact CB-CG2 3.93Å; W210-V217 HydrophobicContact CD2-CG2 3.83Å; W210-V217 HydrophobicContact CE3-CG2 4.25Å; W210-V217 HydrophobicContact CG-CG2 3.67Å; V217-F219 HydrophobicContact CG1-CD1 4.46Å; V217-F219 HydrophobicContact CG1-CE1 3.94Å; V217-F219 HydrophobicContact CG1-CZ 4.15Å |
| 218 | E | 90.4 | Very high | 82.7 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.7 | 178.7 | -168.9 | -172.9 | -172.9 | 0 | 0 | 110.5 | L184 K185 V186 K220 | L184-E218 PolarHBondContact O-N 3.2Å; K185-E218 CarbonylContact C-O 3.6Å; K185-E218 WeakPolarHBondContact CA-O 3.5Å; V186-E218 PolarHBondContact N-O 3.04Å; E218-K220 WeakPolarHBondContact OE1-CE 3.39Å; E218-K220 IonicContact OE1-NZ 2.87Å; E218-K220 PolarHBondContact OE1-NZ 3.07Å; E218-K220 WeakPolarHBondContact OE2-CE 3.27Å; E218-K220 IonicContact OE2-NZ 2.59Å; E218-K220 PolarHBondContact OE2-NZ 3.48Å |
| 219 | F | 91.2 | Very high | 82 | Confident | 62 Ų | 62 | 83.3 Ų | 83.3 | 27% | 0.272 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 136.3 | 177.7 | -56.6 | -62.8 | 0 | 0 | 0 | 111.5 | V186 F188 M200 W203 Q204 V217 | V186-F219 HydrophobicContact CB-CD1 4.06Å; V186-F219 HydrophobicContact CB-CE1 4.45Å; V186-F219 HydrophobicContact CG1-CD1 4.31Å; F188-F219 HydrophobicContact CE1-CD1 4.41Å; F188-F219 HydrophobicContact CE2-CB 4.25Å; F188-F219 HydrophobicContact CE2-CD1 4.18Å; F188-F219 HydrophobicContact CZ-CB 4.39Å; F188-F219 AromaticContact CZ-CD1 3.49Å; F188-F219 HydrophobicContact CZ-CD1 3.49Å; F188-F219 VanDerWaalsContact CZ-CD1 3.49Å; F188-F219 HydrophobicContact CZ-CE1 4.08Å; F188-F219 HydrophobicContact CZ-CG 4.2Å; M200-F219 HydrophobicContact CE-CB 4.29Å; M200-F219 HydrophobicContact CE-CD2 3.94Å; M200-F219 HydrophobicContact CE-CG 4.15Å; W203-F219 HydrophobicContact CB-CE1 3.66Å; W203-F219 HydrophobicContact CB-CZ 3.62Å; W203-F219 HydrophobicContact CD2-CE1 4.37Å; W203-F219 AromaticContact CG-CE1 3.92Å; W203-F219 HydrophobicContact CG-CE1 3.92Å; W203-F219 HydrophobicContact CG-CZ 4.37Å; Q204-F219 HydrophobicContact CG-CE2 4.25Å; Q204-F219 HydrophobicContact CG-CZ 4.43Å; V217-F219 HydrophobicContact CG1-CD1 4.46Å; V217-F219 HydrophobicContact CG1-CE1 3.94Å; V217-F219 HydrophobicContact CG1-CZ 4.15Å |
| 220 | K | 86.5 | Confident | 81.5 | Confident | 63 Ų | 63 | 83 Ų | 83 | 27% | 0.274 | 40% | 0.403 | S | S | . | . | trans | -122.2 | 170.9 | 179.3 | -62.6 | -61.6 | -174.3 | -172.5 | 0 | 111.2 | K185 V186 Y187 E218 | K185-K220 HydrophobicContact CB-CG 4.3Å; V186-K220 PolarHBondContact O-N 3.01Å; Y187-K220 HydrophobicContact CD1-CB 3.56Å; Y187-K220 HydrophobicContact CD1-CG 4.46Å; Y187-K220 HydrophobicContact CD2-CB 4.31Å; Y187-K220 HydrophobicContact CE1-CB 3.39Å; Y187-K220 HydrophobicContact CE1-CG 3.95Å; Y187-K220 HydrophobicContact CE2-CB 4.16Å; Y187-K220 HydrophobicContact CE2-CG 4.07Å; Y187-K220 HydrophobicContact CG-CB 4.03Å; E218-K220 WeakPolarHBondContact OE1-CE 3.39Å; E218-K220 IonicContact OE1-NZ 2.87Å; E218-K220 PolarHBondContact OE1-NZ 3.07Å; E218-K220 WeakPolarHBondContact OE2-CE 3.27Å; E218-K220 IonicContact OE2-NZ 2.59Å; E218-K220 PolarHBondContact OE2-NZ 3.48Å | ||
| 221 | H | 77.3 | Confident | 80.8 | Confident | 173 Ų | 173 | 86.9 Ų | 86.9 | 80% | 0.801 | 44% | 0.436 | S | S | * | . | trans | -63 | 160.6 | -179.7 | -64 | -59.6 | 0 | 0 | 0 | 113.3 | Y187 | Y187-H221 WeakPolarHBondContact CD1-O 3.45Š| ||
| 222 | D | 78.3 | Confident | 80.4 | Confident | 87 Ų | 87 | 84 Ų | 84 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | trans | -65 | 144.8 | -179.7 | -56.1 | -23.5 | 0 | 0 | 0 | 112 | F188 | F188-D222 CarbonylContact O-C 3.58Å; F188-D222 WeakPolarHBondContact O-CA 3.39Å | ||
| 223 | V | 78.7 | Confident | 80.3 | Confident | 19 Ų | 19 | 81.3 Ų | 81.3 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -108 | 128.7 | 178 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | Y187 F188 S190 C225 F228 F230 | Y187-V223 HydrophobicContact CD1-CG2 3.6Å; Y187-V223 HydrophobicContact CG-CG2 4.02Å; F188-V223 PolarHBondContact O-N 3.08Å; S190-V223 PolarHBondContact N-O 2.65Å; S190-V223 PolarHBondContact OG-O 2.9Å; S190-V223 VanDerWaalsContact OG-O 3.1Å; V223-C225 WeakPolarHBondContact CG1-O 3.45Å; V223-F228 HydrophobicContact CG1-CD1 4.13Å; V223-F228 HydrophobicContact CG1-CE1 3.94Å; V223-F230 HydrophobicContact CG2-CE1 4.32Å; V223-F230 HydrophobicContact CG2-CZ 4.08Å |
| 224 | P | 68.3 | Low | 80.6 | Confident | 98 Ų | 98 | 80.6 Ų | 80.6 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | trans | -77.3 | -29.6 | -179.2 | 27.5 | -32.4 | 0 | 0 | 0 | 114 | S190 | S190-P224 VanDerWaalsContact OG-CA 3.32Å; S190-P224 WeakPolarHBondContact OG-CA 3.29Å | ||
| 225 | C | 63.1 | Low | 80.9 | Confident | 71 Ų | 71 | 72 Ų | 72 | 48% | 0.48 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -131.1 | 145.9 | -163.4 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | V223 K227 F228 | V223-C225 WeakPolarHBondContact CG1-O 3.45Å; C225-K227 PolarHBondContact O-N 2.9Å; C225-F228 WeakPolarHBondContact O-CE1 3.27Å |
| 226 | W | 66.3 | Low | 81.2 | Confident | 96 Ų | 96 | 71.6 Ų | 71.6 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -65.6 | 11.6 | 173 | -51.4 | 92.9 | 0 | 0 | 0 | 115 | F189 L240 | F189-W226 HydrophobicContact CD1-CH2 4.4Å; F189-W226 HydrophobicContact CD1-CZ3 4.4Å; F189-W226 HydrophobicContact CE1-CD2 4.04Å; F189-W226 AromaticContact CE1-CE3 3.54Å; F189-W226 HydrophobicContact CE1-CE3 3.54Å; F189-W226 AromaticContact CE1-CH2 3.83Å; F189-W226 HydrophobicContact CE1-CH2 3.83Å; F189-W226 HydrophobicContact CE1-CZ2 4.28Å; F189-W226 AromaticContact CE1-CZ3 3.42Å; F189-W226 HydrophobicContact CE1-CZ3 3.42Å; F189-W226 VanDerWaalsContact CE1-CZ3 3.42Å; F189-W226 HydrophobicContact CE2-CZ3 4.26Å; F189-W226 AromaticContact CZ-CE3 3.75Å; F189-W226 HydrophobicContact CZ-CE3 3.75Å; F189-W226 AromaticContact CZ-CH2 3.97Å; F189-W226 HydrophobicContact CZ-CH2 3.97Å; F189-W226 AromaticContact CZ-CZ3 3.34Å; F189-W226 HydrophobicContact CZ-CZ3 3.34Å; W226-L240 HydrophobicContact CH2-CD1 3.4Å; W226-L240 HydrophobicContact CZ2-CD1 3.96Å; W226-L240 HydrophobicContact CZ3-CD1 4.44Å |
| 227 | K | 72.3 | Confident | 81.4 | Confident | 188 Ų | 188 | 66.7 Ų | 66.7 | 82% | 0.817 | 35% | 0.347 | S | S | * | . | trans | -106.2 | 104.9 | 174.8 | -72.7 | -172.7 | 178.1 | -177.8 | 0 | 107.3 | C225 | C225-K227 PolarHBondContact O-N 2.9Š| ||
| 228 | F | 76.4 | Confident | 81.5 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 15% | 0.145 | 34% | 0.336 | C | S | . | . | trans | -104.4 | 96.7 | -174.8 | -55 | -59.5 | 0 | 0 | 0 | 109.6 | F189 V223 C225 F230 V236 V258 E260 | F189-F228 HydrophobicContact CE1-CE1 4.44Å; F189-F228 AromaticContact CE1-CZ 3.8Å; F189-F228 HydrophobicContact CE1-CZ 3.8Å; F189-F228 AromaticContact CZ-CZ 3.93Å; F189-F228 HydrophobicContact CZ-CZ 3.93Å; V223-F228 HydrophobicContact CG1-CD1 4.13Å; V223-F228 HydrophobicContact CG1-CE1 3.94Å; C225-F228 WeakPolarHBondContact O-CE1 3.27Å; F228-F230 HydrophobicContact CB-CD2 3.81Å; F228-F230 HydrophobicContact CB-CE2 3.55Å; F228-F230 HydrophobicContact CB-CZ 4.18Å; F228-F230 AromaticContact CD1-CE2 3.63Å; F228-F230 HydrophobicContact CD1-CE2 3.63Å; F228-F230 AromaticContact CD1-CZ 3.67Å; F228-F230 HydrophobicContact CD1-CZ 3.67Å; F228-F230 AromaticContact CG-CE2 3.81Å; F228-F230 HydrophobicContact CG-CE2 3.81Å; F228-F230 HydrophobicContact CG-CZ 4.28Å; F228-F230 PolarHBondContact O-N 2.95Å; F228-V236 HydrophobicContact CD1-CG2 3.81Å; F228-V236 HydrophobicContact CE1-CB 4.15Å; F228-V236 HydrophobicContact CE1-CG1 3.8Å; F228-V236 HydrophobicContact CE1-CG2 3.64Å; F228-V236 HydrophobicContact CG-CG2 4.32Å; F228-V236 HydrophobicContact CZ-CB 4.15Å; F228-V236 HydrophobicContact CZ-CG1 3.92Å; F228-V236 HydrophobicContact CZ-CG2 4Å; F228-V258 HydrophobicContact CB-CG1 4.48Å; F228-V258 HydrophobicContact CB-CG2 3.64Å; F228-V258 HydrophobicContact CD2-CB 4.48Å; F228-V258 HydrophobicContact CD2-CG1 3.97Å; F228-V258 HydrophobicContact CD2-CG2 4.4Å; F228-V258 HydrophobicContact CE2-CG1 4.48Å; F228-V258 HydrophobicContact CG-CG1 4.21Å; F228-V258 HydrophobicContact CG-CG2 4.25Å; F228-E260 HydrophobicContact CE2-CG 3.84Å; F228-E260 WeakPolarHBondContact CE2-OE1 3.32Å; F228-E260 HydrophobicContact CZ-CG 4.49Å | ||
| 229 | D | 74.7 | Confident | 81.8 | Confident | 155 Ų | 155 | 61.4 Ų | 61.4 | 83% | 0.829 | 32% | 0.32 | S | S | * | . | trans | -98 | 67.4 | 170.9 | -164.9 | 12.3 | 0 | 0 | 0 | 109.6 | ||||
| 230 | F | 81.4 | Confident | 81.9 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | trans | -87.8 | 135.9 | 177 | -57 | -51.9 | 0 | 0 | 0 | 110.5 | Y187 V223 F228 H232 V236 V258 | Y187-F230 HydrophobicContact CD1-CE1 4.03Å; Y187-F230 HydrophobicContact CD1-CZ 4.23Å; Y187-F230 HydrophobicContact CD2-CE1 4.16Å; Y187-F230 HydrophobicContact CD2-CE2 4.4Å; Y187-F230 AromaticContact CD2-CZ 3.97Å; Y187-F230 HydrophobicContact CD2-CZ 3.97Å; Y187-F230 HydrophobicContact CE1-CD1 4.46Å; Y187-F230 AromaticContact CE1-CE1 3.84Å; Y187-F230 HydrophobicContact CE1-CE1 3.84Å; Y187-F230 HydrophobicContact CE1-CZ 4.45Å; Y187-F230 HydrophobicContact CE2-CD1 4.21Å; Y187-F230 AromaticContact CE2-CE1 3.99Å; Y187-F230 HydrophobicContact CE2-CE1 3.99Å; Y187-F230 HydrophobicContact CE2-CZ 4.22Å; Y187-F230 HydrophobicContact CG-CE1 4.19Å; Y187-F230 AromaticContact CG-CZ 3.99Å; Y187-F230 HydrophobicContact CG-CZ 3.99Å; Y187-F230 AromaticContact CZ-CE1 3.82Å; V223-F230 HydrophobicContact CG2-CE1 4.32Å; V223-F230 HydrophobicContact CG2-CZ 4.08Å; F228-F230 HydrophobicContact CB-CD2 3.81Å; F228-F230 HydrophobicContact CB-CE2 3.55Å; F228-F230 HydrophobicContact CB-CZ 4.18Å; F228-F230 AromaticContact CD1-CE2 3.63Å; F228-F230 HydrophobicContact CD1-CE2 3.63Å; F228-F230 AromaticContact CD1-CZ 3.67Å; F228-F230 HydrophobicContact CD1-CZ 3.67Å; F228-F230 AromaticContact CG-CE2 3.81Å; F228-F230 HydrophobicContact CG-CE2 3.81Å; F228-F230 HydrophobicContact CG-CZ 4.28Å; F228-F230 PolarHBondContact O-N 2.95Å; F230-H232 WeakPolarHBondContact CB-O 3.33Å; F230-H232 PolarHBondContact O-N 3.26Å; F230-V236 HydrophobicContact CE2-CG2 3.54Å; F230-V236 HydrophobicContact CZ-CG2 3.87Å; F230-V258 HydrophobicContact CD2-CG2 3.65Å; F230-V258 HydrophobicContact CE2-CG1 4.29Å; F230-V258 HydrophobicContact CE2-CG2 4.06Å | ||
| 231 | A | 77.2 | Confident | 82.1 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 72% | 0.719 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -70.3 | -17 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 232 | H | 80.7 | Confident | 82.8 | Confident | 91 Ų | 91 | 55.9 Ų | 55.9 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -135.1 | 151.4 | -173.9 | -49.4 | 78.4 | 0 | 0 | 0 | 110.6 | F230 S234 | F230-H232 WeakPolarHBondContact CB-O 3.33Å; F230-H232 PolarHBondContact O-N 3.26Å; H232-S234 PolarHBondContact O-N 3.49Å; H232-S234 PolarHBondContact O-OG 3.11Å |
| 233 | P | 83.3 | Confident | 83.4 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | trans | -51.1 | 122.4 | 171.5 | -23.5 | 32.4 | 0 | 0 | 0 | 111 | F177 S178 K257 | F177-P233 HydrophobicContact CE1-CB 4.28Å; F177-P233 HydrophobicContact CE2-CB 3.69Å; F177-P233 HydrophobicContact CZ-CB 3.53Å; S178-P233 WeakPolarHBondContact O-CG 3.47Å; P233-K257 WeakPolarHBondContact CA-O 3.36Å | ||
| 234 | S | 90.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.9 | -172.5 | -58 | 0 | 0 | 0 | 0 | 111.7 | K185 H232 K257 V258 I259 | K185-S234 CarbonylContact O-C 3.57Å; K185-S234 WeakPolarHBondContact O-CA 3.28Å; H232-S234 PolarHBondContact O-N 3.49Å; H232-S234 PolarHBondContact O-OG 3.11Å; S234-K257 PolarHBondContact N-O 3.28Å; S234-V258 VanDerWaalsContact O-CA 3.29Å; S234-V258 WeakPolarHBondContact O-CA 3.31Å; S234-I259 PolarHBondContact O-N 3.39Å |
| 235 | V | 93.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134.6 | 171.1 | 176.6 | 0 | 0 | 0 | 0 | 108.2 | L184 K185 V186 Y187 W203 C237 I259 L276 | L184-V235 HydrophobicContact CD1-CG2 3.64Å; L184-V235 HydrophobicContact CD2-CG2 3.89Å; L184-V235 HydrophobicContact CG-CG2 3.82Å; K185-V235 PolarHBondContact O-N 2.87Å; V186-V235 CarbonylContact C-O 3.55Å; V186-V235 WeakPolarHBondContact CA-O 3.42Å; V186-V235 HydrophobicContact CG2-CB 4.24Å; Y187-V235 PolarHBondContact N-O 3.22Å; W203-V235 HydrophobicContact CH2-CG1 4.23Å; W203-V235 HydrophobicContact CZ2-CG1 4.15Å; V235-C237 HydrophobicContact CG1-CB 4.42Å; V235-I259 CarbonylContact C-O 3.46Å; V235-I259 VanDerWaalsContact CA-O 3.28Å; V235-I259 WeakPolarHBondContact CA-O 3.31Å; V235-I259 HydrophobicContact CG2-CB 4.12Å; V235-L276 HydrophobicContact CG1-CD2 4.48Å; V235-L276 HydrophobicContact CG2-CD2 4.21Å |
| 236 | V | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.3 | 169.9 | -172.1 | 0 | 0 | 0 | 0 | 107.3 | Y187 F189 F228 F230 V258 I259 E260 L261 | Y187-V236 CarbonylContact O-C 3.59Å; Y187-V236 WeakPolarHBondContact O-CA 3.43Å; F189-V236 HydrophobicContact CD1-CG1 4.17Å; F189-V236 HydrophobicContact CD2-CG1 3.94Å; F189-V236 HydrophobicContact CE1-CG1 3.88Å; F189-V236 HydrophobicContact CE2-CB 4.32Å; F189-V236 HydrophobicContact CE2-CG1 3.6Å; F189-V236 HydrophobicContact CG-CG1 4.2Å; F189-V236 HydrophobicContact CZ-CB 4.31Å; F189-V236 HydrophobicContact CZ-CG1 3.57Å; F228-V236 HydrophobicContact CD1-CG2 3.81Å; F228-V236 HydrophobicContact CE1-CB 4.15Å; F228-V236 HydrophobicContact CE1-CG1 3.8Å; F228-V236 HydrophobicContact CE1-CG2 3.64Å; F228-V236 HydrophobicContact CG-CG2 4.32Å; F228-V236 HydrophobicContact CZ-CB 4.15Å; F228-V236 HydrophobicContact CZ-CG1 3.92Å; F228-V236 HydrophobicContact CZ-CG2 4Å; F230-V236 HydrophobicContact CE2-CG2 3.54Å; F230-V236 HydrophobicContact CZ-CG2 3.87Å; V236-V258 HydrophobicContact CB-CG1 4.45Å; V236-V258 HydrophobicContact CG2-CG1 3.71Å; V236-I259 PolarHBondContact N-O 3.36Å; V236-E260 CarbonylContact O-C 3.48Å; V236-E260 WeakPolarHBondContact O-CA 3.34Å; V236-L261 PolarHBondContact O-N 2.97Å |
| 237 | C | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 157.3 | -177.1 | 70.8 | 0 | 0 | 0 | 0 | 114.3 | Y187 F188 F189 W203 V235 L261 L269 | Y187-C237 PolarHBondContact O-N 3.21Å; F188-C237 CarbonylContact C-O 3.59Å; F188-C237 VanDerWaalsContact CA-O 3.29Å; F188-C237 WeakPolarHBondContact CA-O 3.4Å; F189-C237 PolarHBondContact N-O 3.44Å; W203-C237 HydrophobicContact CZ2-CB 4.45Å; W203-C237 PolarHBondContact NE1-SG 3.33Å; V235-C237 HydrophobicContact CG1-CB 4.42Å; C237-L261 WeakPolarHBondContact CA-O 3.26Å; C237-L261 HydrophobicContact CB-CB 4.01Å; C237-L261 HydrophobicContact CB-CD2 4.43Å; C237-L261 HydrophobicContact CB-CG 4.25Å; C237-L261 WeakPolarHBondContact CB-O 3.39Å; C237-L269 HydrophobicContact CB-CD1 4.36Å |
| 238 | G | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.6 | 166 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L261 I262 A263 | G238-L261 PolarHBondContact N-O 3.09Å; G238-I262 WeakPolarHBondContact O-CA 3.29Å; G238-A263 PolarHBondContact O-N 2.91Å; G238-A263 VanDerWaalsContact O-N 3.09Å |
| 239 | V | 95.8 | Very high | 90 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.7 | 178.3 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | S192 T193 V199 A263 S264 L266 | S192-V239 CarbonylContact C-O 3.49Å; S192-V239 VanDerWaalsContact CA-O 3.23Å; S192-V239 WeakPolarHBondContact CA-O 3.44Å; S192-V239 PolarHBondContact OG-N 2.82Å; S192-V239 VanDerWaalsContact OG-N 3.11Å; S192-V239 PolarHBondContact OG-O 3.39Å; T193-V239 PolarHBondContact N-O 2.99Å; T193-V239 VanDerWaalsContact OG1-CG1 3.26Å; T193-V239 WeakPolarHBondContact OG1-CG1 3.39Å; T193-V239 PolarHBondContact OG1-O 3.44Å; V199-V239 HydrophobicContact CG2-CG2 4.24Å; V239-A263 CarbonylContact C-O 3.21Å; V239-A263 WeakPolarHBondContact CA-O 3.46Å; V239-S264 WeakPolarHBondContact CG1-O 3.47Å; V239-L266 HydrophobicContact CG2-CD2 3.97Å |
| 240 | L | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -129.7 | 71.8 | -177.1 | -60.4 | 176.3 | 0 | 0 | 0 | 109 | F189 N191 W226 Y242 R243 I262 A263 | F189-L240 HydrophobicContact CD2-CD1 4.43Å; N191-L240 WeakPolarHBondContact O-CD2 3.4Å; W226-L240 HydrophobicContact CH2-CD1 3.4Å; W226-L240 HydrophobicContact CZ2-CD1 3.96Å; W226-L240 HydrophobicContact CZ3-CD1 4.44Å; L240-Y242 HydrophobicContact CB-CD1 4.35Å; L240-Y242 HydrophobicContact CB-CE1 3.85Å; L240-Y242 HydrophobicContact CD2-CE1 3.89Å; L240-Y242 HydrophobicContact CG-CE1 4.36Å; L240-Y242 PolarHBondContact O-N 2.85Å; L240-R243 HydrophobicContact CB-CG 4.04Å; L240-R243 WeakPolarHBondContact O-CB 3.08Å; L240-R243 PolarHBondContact O-N 2.75Å; L240-I262 HydrophobicContact CD1-CB 4.3Å; L240-I262 HydrophobicContact CD1-CG2 3.74Å; L240-A263 PolarHBondContact N-O 3.27Å | ||
| 241 | A | 92.2 | Very high | 91.9 | Very high | 43 Ų | 43 | 51 Ų | 51 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -49.5 | -38.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T193 R243 F244 S264 | T193-A241 HydrophobicContact CG2-CB 4.33Å; A241-R243 PolarHBondContact O-N 2.7Å; A241-F244 PolarHBondContact O-N 2.89Å; A241-S264 WeakPolarHBondContact CA-O 3.34Å; A241-S264 WeakPolarHBondContact CB-O 3.35Å |
| 242 | Y | 91 | Very high | 92.9 | Very high | 140 Ų | 140 | 46.9 Ų | 46.9 | 55% | 0.549 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -63 | -13.3 | -180 | 72 | -89.5 | 0 | 0 | 0 | 114.9 | L240 | L240-Y242 HydrophobicContact CB-CD1 4.35Å; L240-Y242 HydrophobicContact CB-CE1 3.85Å; L240-Y242 HydrophobicContact CD2-CE1 3.89Å; L240-Y242 HydrophobicContact CG-CE1 4.36Å; L240-Y242 PolarHBondContact O-N 2.85Å |
| 243 | R | 90.5 | Very high | 93.6 | Very high | 134 Ų | 134 | 43.7 Ų | 43.7 | 51% | 0.506 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -85.3 | -10.6 | 176.3 | -67.8 | -69 | -168.2 | 138.9 | 3.1 | 113.2 | L240 A241 I262 | L240-R243 HydrophobicContact CB-CG 4.04Å; L240-R243 WeakPolarHBondContact O-CB 3.08Å; L240-R243 PolarHBondContact O-N 2.75Å; A241-R243 PolarHBondContact O-N 2.7Å; R243-I262 HydrophobicContact CB-CD1 4.46Å; R243-I262 HydrophobicContact CG-CD1 4.44Å |
| 244 | F | 93.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | trans | -124.7 | 135.1 | -171 | -63.6 | -86.5 | 0 | 0 | 0 | 110.9 | A241 D251 I262 | A241-F244 PolarHBondContact O-N 2.89Å; F244-D251 HydrophobicContact CE1-CB 4.09Å; F244-D251 HydrophobicContact CZ-CB 3.92Å; F244-I262 HydrophobicContact CE2-CB 4.42Å; F244-I262 HydrophobicContact CE2-CD1 4.31Å; F244-I262 HydrophobicContact CE2-CG1 4.2Å; F244-I262 HydrophobicContact CZ-CD1 4.2Å; F244-I262 HydrophobicContact CZ-CG1 3.93Å; F244-I262 WeakPolarHBondContact CZ-O 3.33Å | ||
| 245 | V | 91.3 | Very high | 94.1 | Very high | 120 Ų | 120 | 46.2 Ų | 46.2 | 73% | 0.727 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -81.3 | -32 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 246 | R | 92.5 | Very high | 93.8 | Very high | 127 Ų | 127 | 50.6 Ų | 50.6 | 48% | 0.479 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -105.3 | 147.8 | -175.9 | -64.5 | 178.7 | -174.4 | -165.3 | -2 | 110.1 | S249 S264 | R246-S249 VanDerWaalsContact CB-OG 3.26Å; R246-S249 WeakPolarHBondContact CB-OG 3.42Å; R246-S249 WeakPolarHBondContact O-CB 3.46Å; R246-S249 PolarHBondContact O-OG 3.28Å; R246-S249 VanDerWaalsContact O-OG 3.07Å; R246-S264 WeakPolarHBondContact O-CB 3.23Å |
| 247 | R | 93 | Very high | 93.5 | Very high | 194 Ų | 194 | 55.5 Ų | 55.5 | 73% | 0.732 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 169.4 | 168.1 | -64.7 | -172.1 | 179.8 | -164.7 | -0.6 | 110.5 | S249 | R247-S249 PolarHBondContact O-N 3.23Å; R247-S249 PolarHBondContact O-OG 3.33Å |
| 248 | E | 96.1 | Very high | 93.3 | Very high | 37 Ų | 37 | 55.9 Ų | 55.9 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 24.1 | -179.7 | -61.4 | -179.8 | -158.2 | 0 | 0 | 113.7 | S264 D265 V267 Y271 P304 R309 | E248-S264 PolarHBondContact N-OG 3.28Å; E248-D265 PolarHBondContact N-OD2 3.32Å; E248-V267 HydrophobicContact CG-CB 4.26Å; E248-V267 HydrophobicContact CG-CG1 3.89Å; E248-Y271 HydrophobicContact CB-CD2 4.36Å; E248-Y271 HydrophobicContact CB-CE2 4.02Å; E248-Y271 HydrophobicContact CG-CE2 4.3Å; E248-P304 HydrophobicContact CB-CG 4Å; E248-R309 IonicContact OE2-CZ 3.9Å; E248-R309 IonicContact OE2-NH1 3.9Å; E248-R309 PolarHBondContact OE2-NH1 2.85Å; E248-R309 IonicContact OE2-NH2 3.81Å; E248-R309 PolarHBondContact OE2-NH2 3.43Å |
| 249 | S | 97.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | trans | -101.8 | 151 | -173.8 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | R246 R247 A263 S264 D302 W303 | R246-S249 VanDerWaalsContact CB-OG 3.26Å; R246-S249 WeakPolarHBondContact CB-OG 3.42Å; R246-S249 WeakPolarHBondContact O-CB 3.46Å; R246-S249 PolarHBondContact O-OG 3.28Å; R246-S249 VanDerWaalsContact O-OG 3.07Å; R247-S249 PolarHBondContact O-N 3.23Å; R247-S249 PolarHBondContact O-OG 3.33Å; S249-A263 CarbonylContact O-C 3.6Å; S249-A263 WeakPolarHBondContact O-CA 3.36Å; S249-S264 PolarHBondContact N-OG 3.08Å; S249-S264 PolarHBondContact O-N 2.66Å; S249-S264 PolarHBondContact O-OG 2.76Å; S249-D302 WeakPolarHBondContact CA-O 3.4Å; S249-W303 WeakPolarHBondContact OG-CB 3.36Å | ||
| 250 | Y | 98.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 159.3 | 175.6 | 68.2 | -94.6 | 0 | 0 | 0 | 112.1 | I252 L261 I262 G268 A275 I300 D302 K337 W553 | Y250-I252 HydrophobicContact CD2-CD1 4.05Å; Y250-I252 HydrophobicContact CD2-CG1 3.94Å; Y250-I252 HydrophobicContact CE2-CD1 3.75Å; Y250-I252 HydrophobicContact CE2-CG1 4.1Å; Y250-L261 HydrophobicContact CD2-CD1 4.44Å; Y250-I262 CarbonylContact C-O 3.53Å; Y250-I262 VanDerWaalsContact CA-O 3.3Å; Y250-I262 WeakPolarHBondContact CA-O 3.32Å; Y250-G268 WeakPolarHBondContact CB-O 3.14Å; Y250-A275 HydrophobicContact CE2-CB 4.06Å; Y250-A275 VanDerWaalsContact OH-CB 3.24Å; Y250-A275 WeakPolarHBondContact OH-CB 3.46Å; Y250-I300 HydrophobicContact CE2-CG2 4.01Å; Y250-D302 HydrophobicContact CD1-CB 4.4Å; Y250-D302 HydrophobicContact CD2-CB 4.44Å; Y250-D302 HydrophobicContact CE1-CB 3.79Å; Y250-D302 HydrophobicContact CE2-CB 3.83Å; Y250-D302 VanDerWaalsContact CZ-CB 3.48Å; Y250-D302 PolarHBondContact N-O 3.42Å; Y250-D302 PolarHBondContact O-N 2.91Å; Y250-D302 PolarHBondContact OH-OD2 3.23Å; Y250-K337 PolarHBondContact OH-NZ 3.11Å; Y250-W553 HydrophobicContact CE1-CH2 4.28Å; Y250-W553 AromaticContact CE1-CZ2 3.91Å; Y250-W553 HydrophobicContact CE1-CZ2 3.91Å |
| 251 | D | 97.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 121.1 | 175.9 | -172.3 | -27.6 | 0 | 0 | 0 | 108.4 | F244 T253 L261 I262 R299 I300 R301 | F244-D251 HydrophobicContact CE1-CB 4.09Å; F244-D251 HydrophobicContact CZ-CB 3.92Å; D251-T253 PolarHBondContact OD1-OG1 3.5Å; D251-L261 WeakPolarHBondContact O-CA 3.39Å; D251-I262 HydrophobicContact CB-CD1 4.12Å; D251-I262 HydrophobicContact CB-CG1 3.72Å; D251-I262 PolarHBondContact N-O 2.81Å; D251-I262 PolarHBondContact O-N 3.07Å; D251-R299 WeakPolarHBondContact OD1-CG 3.32Å; D251-R299 IonicContact OD1-NE 2.77Å; D251-R299 PolarHBondContact OD1-NE 3.35Å; D251-R299 VanDerWaalsContact OD1-NE 3.13Å; D251-R299 IonicContact OD2-CZ 3.25Å; D251-R299 VanDerWaalsContact OD2-CZ 3.23Å; D251-R299 IonicContact OD2-NE 2.87Å; D251-R299 PolarHBondContact OD2-NE 3.41Å; D251-R299 IonicContact OD2-NH2 3.18Å; D251-R299 PolarHBondContact OD2-NH2 2.89Å; D251-I300 CarbonylContact C-O 3.56Å; D251-I300 VanDerWaalsContact CA-O 3.26Å; D251-I300 WeakPolarHBondContact CA-O 3.45Å; D251-R301 HydrophobicContact CB-CG 4.3Å; D251-R301 WeakPolarHBondContact OD2-CG 3.21Å |
| 252 | I | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.3 | 173.1 | -62.7 | 168.1 | 0 | 0 | 0 | 107.3 | Y250 V254 I259 E260 L261 G272 A275 L276 M279 R299 I300 | Y250-I252 HydrophobicContact CD2-CD1 4.05Å; Y250-I252 HydrophobicContact CD2-CG1 3.94Å; Y250-I252 HydrophobicContact CE2-CD1 3.75Å; Y250-I252 HydrophobicContact CE2-CG1 4.1Å; I252-V254 HydrophobicContact CG2-CG2 4.18Å; I252-I259 HydrophobicContact CG2-CG2 3.88Å; I252-E260 CarbonylContact C-O 3.53Å; I252-E260 VanDerWaalsContact CA-O 3.29Å; I252-E260 WeakPolarHBondContact CA-O 3.33Å; I252-L261 HydrophobicContact CD1-CD1 4.33Å; I252-L261 HydrophobicContact CG1-CD1 3.63Å; I252-G272 WeakPolarHBondContact CD1-O 3.47Å; I252-A275 HydrophobicContact CD1-CB 3.94Å; I252-L276 HydrophobicContact CD1-CB 4.41Å; I252-M279 HydrophobicContact CD1-SD 4.32Å; I252-M279 HydrophobicContact CG2-CE 4.37Å; I252-M279 HydrophobicContact CG2-SD 4.47Å; I252-R299 CarbonylContact O-C 3.57Å; I252-R299 VanDerWaalsContact O-CA 3.25Å; I252-R299 WeakPolarHBondContact O-CA 3.48Å; I252-I300 HydrophobicContact CB-CB 4.39Å; I252-I300 PolarHBondContact N-O 3.47Å; I252-I300 PolarHBondContact O-N 3.45Å |
| 253 | T | 95.4 | Very high | 94 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117 | 173.1 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | D251 K255 I259 E260 R299 | D251-T253 PolarHBondContact OD1-OG1 3.5Å; T253-K255 HydrophobicContact CG2-CG 4.2Å; T253-I259 WeakPolarHBondContact O-CA 3.34Å; T253-E260 PolarHBondContact N-O 2.84Å; T253-E260 PolarHBondContact O-N 3.38Å; T253-R299 WeakPolarHBondContact OG1-CD 3.49Å; T253-R299 WeakPolarHBondContact OG1-CG 3.44Å |
| 254 | V | 93.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 115.5 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 109 | F177 I252 I259 M279 L295 L298 | F177-V254 HydrophobicContact CB-CG1 3.66Å; F177-V254 HydrophobicContact CG-CG1 4.33Å; I252-V254 HydrophobicContact CG2-CG2 4.18Å; V254-I259 HydrophobicContact CG1-CG1 4.38Å; V254-I259 HydrophobicContact CG2-CG1 4.43Å; V254-M279 HydrophobicContact CG2-CE 3.82Å; V254-L295 HydrophobicContact CB-CD2 4.2Å; V254-L295 HydrophobicContact CG1-CB 4.49Å; V254-L295 HydrophobicContact CG1-CD2 3.57Å; V254-L295 HydrophobicContact CG1-CG 3.95Å; V254-L295 HydrophobicContact CG2-CD2 3.54Å; V254-L295 HydrophobicContact CG2-CG 4.31Å; V254-L298 HydrophobicContact CB-CD1 4.5Å; V254-L298 HydrophobicContact CB-CG 4.15Å; V254-L298 HydrophobicContact CG2-CD1 3.8Å; V254-L298 HydrophobicContact CG2-CG 3.85Å; V254-L298 PolarHBondContact N-O 2.69Å; V254-L298 PolarHBondContact O-N 3.48Å |
| 255 | K | 91.2 | Very high | 94.4 | Very high | 91 Ų | 91 | 43 Ų | 43 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | trans | -112.3 | 169.9 | 173.1 | -59.3 | 179 | 179.9 | 171.7 | 0 | 109.4 | F177 T253 K257 V258 E260 | F177-K255 WeakPolarHBondContact CD2-O 3.49Å; T253-K255 HydrophobicContact CG2-CG 4.2Å; K255-K257 VanDerWaalsContact C-N 3.29Å; K255-K257 PolarHBondContact O-N 3.33Å; K255-K257 VanDerWaalsContact O-N 3.15Å; K255-V258 WeakPolarHBondContact CA-O 3.42Å; K255-V258 WeakPolarHBondContact CB-O 3.31Å; K255-V258 PolarHBondContact N-O 3.47Å; K255-V258 PolarHBondContact O-N 3.02Å; K255-E260 VanDerWaalsContact CE-OE1 3.23Å; K255-E260 WeakPolarHBondContact CE-OE1 3.4Å; K255-E260 IonicContact NZ-OE1 3.73Å; K255-E260 PolarHBondContact NZ-OE1 3.44Å; K255-E260 IonicContact NZ-OE2 2.96Å | ||
| 256 | E | 87.1 | Confident | 94.7 | Very high | 93 Ų | 93 | 39.9 Ų | 39.9 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -52.3 | -41 | -175.4 | -172 | -179 | -180 | 0 | 0 | 114.2 | Q175 | Q175-E256 HydrophobicContact CB-CG 4.42Å; Q175-E256 PolarHBondContact NE2-OE2 3.47Å |
| 257 | K | 87.2 | Confident | 94.9 | Very high | 103 Ų | 103 | 35.8 Ų | 35.8 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -114.9 | -8.8 | -179.2 | -63.8 | -174.9 | 179.6 | -179 | 0 | 114.4 | P233 S234 K255 | P233-K257 WeakPolarHBondContact CA-O 3.36Å; S234-K257 PolarHBondContact N-O 3.28Å; K255-K257 VanDerWaalsContact C-N 3.29Å; K255-K257 PolarHBondContact O-N 3.33Å; K255-K257 VanDerWaalsContact O-N 3.15Å |
| 258 | V | 91.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 133.6 | -167.3 | -171 | 0 | 0 | 0 | 0 | 111.6 | F228 F230 S234 V236 K255 E260 | F228-V258 HydrophobicContact CB-CG1 4.48Å; F228-V258 HydrophobicContact CB-CG2 3.64Å; F228-V258 HydrophobicContact CD2-CB 4.48Å; F228-V258 HydrophobicContact CD2-CG1 3.97Å; F228-V258 HydrophobicContact CD2-CG2 4.4Å; F228-V258 HydrophobicContact CE2-CG1 4.48Å; F228-V258 HydrophobicContact CG-CG1 4.21Å; F228-V258 HydrophobicContact CG-CG2 4.25Å; F230-V258 HydrophobicContact CD2-CG2 3.65Å; F230-V258 HydrophobicContact CE2-CG1 4.29Å; F230-V258 HydrophobicContact CE2-CG2 4.06Å; S234-V258 VanDerWaalsContact O-CA 3.29Å; S234-V258 WeakPolarHBondContact O-CA 3.31Å; V236-V258 HydrophobicContact CB-CG1 4.45Å; V236-V258 HydrophobicContact CG2-CG1 3.71Å; K255-V258 WeakPolarHBondContact CA-O 3.42Å; K255-V258 WeakPolarHBondContact CB-O 3.31Å; K255-V258 PolarHBondContact N-O 3.47Å; K255-V258 PolarHBondContact O-N 3.02Å; V258-E260 HydrophobicContact CG1-CG 4.13Å |
| 259 | I | 94.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.4 | 165.3 | -60.4 | 177.3 | 0 | 0 | 0 | 107.8 | F177 S234 V235 V236 I252 T253 V254 L276 L295 | F177-I259 HydrophobicContact CD1-CD1 3.89Å; F177-I259 HydrophobicContact CD1-CG1 4.31Å; F177-I259 HydrophobicContact CD2-CD1 4.41Å; F177-I259 HydrophobicContact CD2-CG1 3.95Å; F177-I259 HydrophobicContact CE1-CD1 3.6Å; F177-I259 HydrophobicContact CE1-CG1 4.16Å; F177-I259 HydrophobicContact CE2-CD1 4.13Å; F177-I259 HydrophobicContact CE2-CG1 3.76Å; F177-I259 HydrophobicContact CG-CD1 4.28Å; F177-I259 HydrophobicContact CG-CG1 4.21Å; F177-I259 HydrophobicContact CZ-CD1 3.72Å; F177-I259 HydrophobicContact CZ-CG1 3.87Å; S234-I259 PolarHBondContact O-N 3.39Å; V235-I259 CarbonylContact C-O 3.46Å; V235-I259 VanDerWaalsContact CA-O 3.28Å; V235-I259 WeakPolarHBondContact CA-O 3.31Å; V235-I259 HydrophobicContact CG2-CB 4.12Å; V236-I259 PolarHBondContact N-O 3.36Å; I252-I259 HydrophobicContact CG2-CG2 3.88Å; T253-I259 WeakPolarHBondContact O-CA 3.34Å; V254-I259 HydrophobicContact CG1-CG1 4.38Å; V254-I259 HydrophobicContact CG2-CG1 4.43Å; I259-L276 HydrophobicContact CD1-CD1 3.87Å; I259-L276 HydrophobicContact CG2-CD1 4Å; I259-L295 HydrophobicContact CD1-CD2 4.09Å |
| 260 | E | 94.7 | Very high | 95.1 | Very high | 19 Ų | 19 | 24.6 Ų | 24.6 | 9% | 0.089 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.7 | 174.3 | -68 | 168.4 | -152.5 | 0 | 0 | 108.7 | F228 V236 I252 T253 K255 V258 | F228-E260 HydrophobicContact CE2-CG 3.84Å; F228-E260 WeakPolarHBondContact CE2-OE1 3.32Å; F228-E260 HydrophobicContact CZ-CG 4.49Å; V236-E260 CarbonylContact O-C 3.48Å; V236-E260 WeakPolarHBondContact O-CA 3.34Å; I252-E260 CarbonylContact C-O 3.53Å; I252-E260 VanDerWaalsContact CA-O 3.29Å; I252-E260 WeakPolarHBondContact CA-O 3.33Å; T253-E260 PolarHBondContact N-O 2.84Å; T253-E260 PolarHBondContact O-N 3.38Å; K255-E260 VanDerWaalsContact CE-OE1 3.23Å; K255-E260 WeakPolarHBondContact CE-OE1 3.4Å; K255-E260 IonicContact NZ-OE1 3.73Å; K255-E260 PolarHBondContact NZ-OE1 3.44Å; K255-E260 IonicContact NZ-OE2 2.96Å; V258-E260 HydrophobicContact CG1-CG 4.13Å |
| 261 | L | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 100.6 | 175.1 | 168.4 | 58.3 | 0 | 0 | 0 | 109.7 | W203 V236 C237 G238 Y250 D251 I252 L269 I273 | W203-L261 HydrophobicContact CZ2-CD2 4.36Å; V236-L261 PolarHBondContact O-N 2.97Å; C237-L261 WeakPolarHBondContact CA-O 3.26Å; C237-L261 HydrophobicContact CB-CB 4.01Å; C237-L261 HydrophobicContact CB-CD2 4.43Å; C237-L261 HydrophobicContact CB-CG 4.25Å; C237-L261 WeakPolarHBondContact CB-O 3.39Å; G238-L261 PolarHBondContact N-O 3.09Å; Y250-L261 HydrophobicContact CD2-CD1 4.44Å; D251-L261 WeakPolarHBondContact O-CA 3.39Å; I252-L261 HydrophobicContact CD1-CD1 4.33Å; I252-L261 HydrophobicContact CG1-CD1 3.63Å; L261-L269 HydrophobicContact CD2-CD1 3.94Å; L261-L269 HydrophobicContact CG-CD1 4.05Å; L261-I273 HydrophobicContact CD2-CG1 3.85Å |
| 262 | I | 95.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 24.3 Ų | 24.3 | 9% | 0.087 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144 | 176.7 | 58 | 168.5 | 0 | 0 | 0 | 109.8 | F189 G238 L240 R243 F244 Y250 D251 | F189-I262 HydrophobicContact CD2-CG2 4.03Å; F189-I262 HydrophobicContact CE2-CG2 3.44Å; F189-I262 VanDerWaalsContact CE2-CG2 3.44Å; F189-I262 HydrophobicContact CZ-CG2 4.15Å; G238-I262 WeakPolarHBondContact O-CA 3.29Å; L240-I262 HydrophobicContact CD1-CB 4.3Å; L240-I262 HydrophobicContact CD1-CG2 3.74Å; R243-I262 HydrophobicContact CB-CD1 4.46Å; R243-I262 HydrophobicContact CG-CD1 4.44Å; F244-I262 HydrophobicContact CE2-CB 4.42Å; F244-I262 HydrophobicContact CE2-CD1 4.31Å; F244-I262 HydrophobicContact CE2-CG1 4.2Å; F244-I262 HydrophobicContact CZ-CD1 4.2Å; F244-I262 HydrophobicContact CZ-CG1 3.93Å; F244-I262 WeakPolarHBondContact CZ-O 3.33Å; Y250-I262 CarbonylContact C-O 3.53Å; Y250-I262 VanDerWaalsContact CA-O 3.3Å; Y250-I262 WeakPolarHBondContact CA-O 3.32Å; D251-I262 HydrophobicContact CB-CD1 4.12Å; D251-I262 HydrophobicContact CB-CG1 3.72Å; D251-I262 PolarHBondContact N-O 2.81Å; D251-I262 PolarHBondContact O-N 3.07Å |
| 263 | A | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G238 V239 L240 S249 D265 L269 | G238-A263 PolarHBondContact O-N 2.91Å; G238-A263 VanDerWaalsContact O-N 3.09Å; V239-A263 CarbonylContact C-O 3.21Å; V239-A263 WeakPolarHBondContact CA-O 3.46Å; L240-A263 PolarHBondContact N-O 3.27Å; S249-A263 CarbonylContact O-C 3.6Å; S249-A263 WeakPolarHBondContact O-CA 3.36Å; A263-D265 WeakPolarHBondContact CB-O 3.36Å; A263-L269 HydrophobicContact CB-CB 3.77Å |
| 264 | S | 96.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -72.2 | -35.9 | 175.8 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | V239 A241 R246 E248 S249 | V239-S264 WeakPolarHBondContact CG1-O 3.47Å; A241-S264 WeakPolarHBondContact CA-O 3.34Å; A241-S264 WeakPolarHBondContact CB-O 3.35Å; R246-S264 WeakPolarHBondContact O-CB 3.23Å; E248-S264 PolarHBondContact N-OG 3.28Å; S249-S264 PolarHBondContact N-OG 3.08Å; S249-S264 PolarHBondContact O-N 2.66Å; S249-S264 PolarHBondContact O-OG 2.76Å |
| 265 | D | 96.4 | Very high | 95.2 | Very high | 38 Ų | 38 | 23.4 Ų | 23.4 | 20% | 0.203 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -153.5 | 178.6 | -176.7 | 50 | 48.5 | 0 | 0 | 0 | 109.8 | E248 A263 V267 G268 L269 | E248-D265 PolarHBondContact N-OD2 3.32Å; A263-D265 WeakPolarHBondContact CB-O 3.36Å; D265-V267 PolarHBondContact O-N 3.19Å; D265-V267 PolarHBondContact OD1-N 3.04Å; D265-G268 PolarHBondContact O-N 3.19Å; D265-G268 PolarHBondContact OD1-N 3.41Å; D265-L269 PolarHBondContact O-N 3.21Å |
| 266 | L | 96.5 | Very high | 95.4 | Very high | 55 Ų | 55 | 19.1 Ų | 19.1 | 29% | 0.288 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -64.1 | -29.3 | 179.4 | -66.3 | 172.5 | 0 | 0 | 0 | 112.8 | D198 V199 V202 V239 L269 G270 Q373 | D198-L266 HydrophobicContact CB-CD1 3.97Å; D198-L266 HydrophobicContact CB-CD2 4.02Å; V199-L266 HydrophobicContact CG2-CD2 4.38Å; V202-L266 HydrophobicContact CG2-CB 4.34Å; V202-L266 HydrophobicContact CG2-CD2 4.19Å; V239-L266 HydrophobicContact CG2-CD2 3.97Å; L266-L269 WeakPolarHBondContact O-CB 3.28Å; L266-L269 PolarHBondContact O-N 3.48Å; L266-G270 PolarHBondContact O-N 3.09Å; L266-G270 VanDerWaalsContact O-N 3.07Å; L266-Q373 PolarHBondContact O-NE2 3.29Å |
| 267 | V | 96.7 | Very high | 95.7 | Very high | 42 Ų | 42 | 15 Ų | 15 | 26% | 0.255 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -71.4 | -48.1 | 179.2 | -179 | 0 | 0 | 0 | 0 | 110.2 | E248 D265 L269 G270 Y271 Q373 | E248-V267 HydrophobicContact CG-CB 4.26Å; E248-V267 HydrophobicContact CG-CG1 3.89Å; D265-V267 PolarHBondContact O-N 3.19Å; D265-V267 PolarHBondContact OD1-N 3.04Å; V267-L269 PolarHBondContact O-N 2.65Å; V267-G270 PolarHBondContact O-N 3.21Å; V267-Y271 HydrophobicContact CG1-CD2 4.25Å; V267-Y271 HydrophobicContact CG1-CE1 4.39Å; V267-Y271 HydrophobicContact CG1-CE2 3.5Å; V267-Y271 VanDerWaalsContact CG1-CE2 3.5Å; V267-Y271 PolarHBondContact O-N 3.12Å; V267-Q373 HydrophobicContact CG1-CB 4.32Å; V267-Q373 HydrophobicContact CG2-CB 4.45Å; V267-Q373 HydrophobicContact CG2-CG 4.49Å; V267-Q373 PolarHBondContact O-OE1 3.41Å |
| 268 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.9 | -37.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y250 D265 Y271 G272 | Y250-G268 WeakPolarHBondContact CB-O 3.14Å; D265-G268 PolarHBondContact O-N 3.19Å; D265-G268 PolarHBondContact OD1-N 3.41Å; G268-Y271 PolarHBondContact O-N 3.35Å; G268-G272 PolarHBondContact O-N 3.37Å |
| 269 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 174 | 176.5 | 68.4 | 0 | 0 | 0 | 111.3 | V199 V202 C237 L261 A263 D265 L266 V267 Y271 G272 I273 | V199-L269 HydrophobicContact CB-CD2 4.25Å; V199-L269 HydrophobicContact CG1-CD2 3.74Å; V199-L269 HydrophobicContact CG2-CD2 4.29Å; V202-L269 HydrophobicContact CB-CD2 4.24Å; V202-L269 HydrophobicContact CG1-CD2 4.43Å; V202-L269 HydrophobicContact CG1-CG 4.5Å; V202-L269 HydrophobicContact CG2-CD2 4.39Å; C237-L269 HydrophobicContact CB-CD1 4.36Å; L261-L269 HydrophobicContact CD2-CD1 3.94Å; L261-L269 HydrophobicContact CG-CD1 4.05Å; A263-L269 HydrophobicContact CB-CB 3.77Å; D265-L269 PolarHBondContact O-N 3.21Å; L266-L269 WeakPolarHBondContact O-CB 3.28Å; L266-L269 PolarHBondContact O-N 3.48Å; V267-L269 PolarHBondContact O-N 2.65Å; L269-Y271 VanDerWaalsContact C-N 3.34Å; L269-Y271 PolarHBondContact O-N 3.28Å; L269-G272 PolarHBondContact O-N 3.38Å; L269-I273 HydrophobicContact CD1-CD1 4.44Å; L269-I273 HydrophobicContact CG-CD1 4.12Å; L269-I273 WeakPolarHBondContact O-CG1 3.33Å; L269-I273 PolarHBondContact O-N 3.16Å |
| 270 | G | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L266 V267 G272 I273 H274 | L266-G270 PolarHBondContact O-N 3.09Å; L266-G270 VanDerWaalsContact O-N 3.07Å; V267-G270 PolarHBondContact O-N 3.21Å; G270-G272 VanDerWaalsContact C-N 3.33Å; G270-G272 PolarHBondContact O-N 3.28Å; G270-I273 PolarHBondContact O-N 3.29Å; G270-H274 PolarHBondContact O-N 3.28Å; G270-H274 PolarHBondContact O-ND1 3.02Å |
| 271 | Y | 98.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 2% | 0.016 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | 175.6 | -59.6 | -31.6 | 0 | 0 | 0 | 113.4 | E248 V267 G268 L269 H274 A275 R309 K337 N339 W553 | E248-Y271 HydrophobicContact CB-CD2 4.36Å; E248-Y271 HydrophobicContact CB-CE2 4.02Å; E248-Y271 HydrophobicContact CG-CE2 4.3Å; V267-Y271 HydrophobicContact CG1-CD2 4.25Å; V267-Y271 HydrophobicContact CG1-CE1 4.39Å; V267-Y271 HydrophobicContact CG1-CE2 3.5Å; V267-Y271 VanDerWaalsContact CG1-CE2 3.5Å; V267-Y271 PolarHBondContact O-N 3.12Å; G268-Y271 PolarHBondContact O-N 3.35Å; L269-Y271 VanDerWaalsContact C-N 3.34Å; L269-Y271 PolarHBondContact O-N 3.28Å; Y271-H274 PolarHBondContact O-N 3.41Å; Y271-A275 PolarHBondContact O-N 3.48Å; Y271-R309 PolarHBondContact OH-NH2 3.16Å; Y271-K337 HydrophobicContact CD1-CB 3.96Å; Y271-K337 HydrophobicContact CD1-CD 4.38Å; Y271-K337 HydrophobicContact CD1-CG 3.86Å; Y271-K337 HydrophobicContact CE1-CB 4.05Å; Y271-K337 HydrophobicContact CE1-CG 4.45Å; Y271-K337 HydrophobicContact CG-CD 4.3Å; Y271-K337 HydrophobicContact CG-CG 4.28Å; Y271-N339 WeakPolarHBondContact OH-CB 3.31Å; Y271-W553 AromaticContact CD2-CH2 3.54Å; Y271-W553 HydrophobicContact CD2-CH2 3.54Å; Y271-W553 AromaticContact CD2-CZ3 3.63Å; Y271-W553 HydrophobicContact CD2-CZ3 3.63Å; Y271-W553 HydrophobicContact CE2-CH2 4.17Å; Y271-W553 AromaticContact CE2-CZ3 3.83Å; Y271-W553 HydrophobicContact CE2-CZ3 3.83Å; Y271-W553 AromaticContact CG-CH2 3.97Å; Y271-W553 HydrophobicContact CG-CH2 3.97Å; Y271-W553 HydrophobicContact CG-CZ3 4.11Å |
| 272 | G | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | I252 G268 L269 G270 A275 L276 | I252-G272 WeakPolarHBondContact CD1-O 3.47Å; G268-G272 PolarHBondContact O-N 3.37Å; L269-G272 PolarHBondContact O-N 3.38Å; G270-G272 VanDerWaalsContact C-N 3.33Å; G270-G272 PolarHBondContact O-N 3.28Å; G272-A275 PolarHBondContact O-N 3Å; G272-L276 WeakPolarHBondContact O-CB 3.43Å; G272-L276 PolarHBondContact O-N 3.4Å |
| 273 | I | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 173.9 | -67.4 | 164.8 | 0 | 0 | 0 | 110.6 | V202 W203 L206 W210 L261 L269 G270 A275 L276 V277 | V202-I273 HydrophobicContact CG1-CD1 3.85Å; W203-I273 HydrophobicContact CD2-CD1 3.81Å; W203-I273 HydrophobicContact CD2-CG1 4.27Å; W203-I273 HydrophobicContact CE3-CD1 4.49Å; W203-I273 HydrophobicContact CG-CD1 3.88Å; W203-I273 HydrophobicContact CH2-CG1 4.42Å; W203-I273 HydrophobicContact CZ2-CD1 4.32Å; W203-I273 HydrophobicContact CZ2-CG1 4.01Å; L206-I273 HydrophobicContact CB-CG2 4.19Å; L206-I273 HydrophobicContact CD1-CB 3.83Å; L206-I273 HydrophobicContact CD1-CD1 4.2Å; L206-I273 HydrophobicContact CD1-CG2 3.63Å; W210-I273 HydrophobicContact CZ2-CG2 4.12Å; L261-I273 HydrophobicContact CD2-CG1 3.85Å; L269-I273 HydrophobicContact CD1-CD1 4.44Å; L269-I273 HydrophobicContact CG-CD1 4.12Å; L269-I273 WeakPolarHBondContact O-CG1 3.33Å; L269-I273 PolarHBondContact O-N 3.16Å; G270-I273 PolarHBondContact O-N 3.29Å; I273-A275 PolarHBondContact O-N 3.25Å; I273-L276 PolarHBondContact O-N 2.95Å; I273-V277 HydrophobicContact CG2-CG2 4.44Å; I273-V277 WeakPolarHBondContact O-CG2 3.44Å; I273-V277 PolarHBondContact O-N 3.31Å |
| 274 | H | 96.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 11.4 Ų | 11.4 | 2% | 0.023 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 175.3 | -71.1 | 98.6 | 0 | 0 | 0 | 112 | G270 Y271 L276 V277 Q278 H335 | G270-H274 PolarHBondContact O-N 3.28Å; G270-H274 PolarHBondContact O-ND1 3.02Å; Y271-H274 PolarHBondContact O-N 3.41Å; H274-L276 VanDerWaalsContact C-N 3.34Å; H274-L276 PolarHBondContact O-N 3.48Å; H274-V277 WeakPolarHBondContact O-CB 3.22Å; H274-V277 PolarHBondContact O-N 2.84Å; H274-Q278 WeakPolarHBondContact O-CG 3.47Å; H274-Q278 PolarHBondContact O-N 2.93Å; H274-H335 AromaticContact CD2-ND1 3.47Å; H274-H335 PolarHBondContact CD2-ND1 3.4Å |
| 275 | A | 96.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 13.7 Ų | 13.7 | 4% | 0.041 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y250 I252 Y271 G272 I273 Q278 M279 | Y250-A275 HydrophobicContact CE2-CB 4.06Å; Y250-A275 VanDerWaalsContact OH-CB 3.24Å; Y250-A275 WeakPolarHBondContact OH-CB 3.46Å; I252-A275 HydrophobicContact CD1-CB 3.94Å; Y271-A275 PolarHBondContact O-N 3.48Å; G272-A275 PolarHBondContact O-N 3Å; I273-A275 PolarHBondContact O-N 3.25Å; A275-Q278 PolarHBondContact O-N 3.48Å; A275-M279 VanDerWaalsContact O-CG 3.24Å; A275-M279 WeakPolarHBondContact O-CG 3.49Å; A275-M279 PolarHBondContact O-N 3.46Å |
| 276 | L | 95.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.3 | -177.7 | 61.6 | 0 | 0 | 0 | 112 | W203 W210 V235 I252 I259 G272 I273 H274 Q278 M279 V280 | W203-L276 HydrophobicContact CH2-CD2 4.18Å; W210-L276 HydrophobicContact CH2-CD2 3.85Å; W210-L276 HydrophobicContact CH2-CG 3.91Å; W210-L276 HydrophobicContact CZ2-CD2 4.24Å; V235-L276 HydrophobicContact CG1-CD2 4.48Å; V235-L276 HydrophobicContact CG2-CD2 4.21Å; I252-L276 HydrophobicContact CD1-CB 4.41Å; I259-L276 HydrophobicContact CD1-CD1 3.87Å; I259-L276 HydrophobicContact CG2-CD1 4Å; G272-L276 WeakPolarHBondContact O-CB 3.43Å; G272-L276 PolarHBondContact O-N 3.4Å; I273-L276 PolarHBondContact O-N 2.95Å; H274-L276 VanDerWaalsContact C-N 3.34Å; H274-L276 PolarHBondContact O-N 3.48Å; L276-Q278 VanDerWaalsContact C-N 3.31Å; L276-Q278 PolarHBondContact O-N 3.17Å; L276-M279 PolarHBondContact O-N 2.99Å; L276-V280 HydrophobicContact CD1-CG2 4.36Å; L276-V280 WeakPolarHBondContact O-CG2 3.45Å; L276-V280 PolarHBondContact O-N 2.89Å |
| 277 | V | 92.9 | Very high | 87.3 | Confident | 6 Ų | 6 | 13.1 Ų | 13.1 | 4% | 0.036 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 174.2 | 166.7 | 0 | 0 | 0 | 0 | 110.5 | L209 W210 L213 I273 H274 V280 R281 | L209-V277 HydrophobicContact CB-CG1 4.05Å; L209-V277 HydrophobicContact CB-CG2 4.07Å; L209-V277 HydrophobicContact CD1-CG2 4.35Å; W210-V277 HydrophobicContact CD2-CG2 4.01Å; W210-V277 HydrophobicContact CE3-CG2 4.37Å; W210-V277 HydrophobicContact CH2-CG2 3.95Å; W210-V277 HydrophobicContact CZ2-CG2 3.53Å; W210-V277 HydrophobicContact CZ3-CG2 4.34Å; L213-V277 HydrophobicContact CD1-CG1 3.96Å; I273-V277 HydrophobicContact CG2-CG2 4.44Å; I273-V277 WeakPolarHBondContact O-CG2 3.44Å; I273-V277 PolarHBondContact O-N 3.31Å; H274-V277 WeakPolarHBondContact O-CB 3.22Å; H274-V277 PolarHBondContact O-N 2.84Å; V277-V280 PolarHBondContact O-N 3.23Å; V277-R281 WeakPolarHBondContact O-CB 3.21Å; V277-R281 PolarHBondContact O-N 3.33Å |
| 278 | Q | 92.3 | Very high | 84.9 | Confident | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.019 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | 177.7 | -68.6 | 177 | 15 | 0 | 0 | 111.8 | L160 W161 H274 A275 L276 V280 R281 L282 H335 H573 | L160-Q278 HydrophobicContact CD2-CB 3.92Å; W161-Q278 PolarHBondContact O-NE2 3.15Å; W161-Q278 PolarHBondContact O-OE1 3Å; W161-Q278 VanDerWaalsContact O-OE1 3.05Å; H274-Q278 WeakPolarHBondContact O-CG 3.47Å; H274-Q278 PolarHBondContact O-N 2.93Å; A275-Q278 PolarHBondContact O-N 3.48Å; L276-Q278 VanDerWaalsContact C-N 3.31Å; L276-Q278 PolarHBondContact O-N 3.17Å; Q278-V280 PolarHBondContact O-N 3.13Å; Q278-R281 PolarHBondContact O-N 3.44Å; Q278-L282 VanDerWaalsContact O-CB 3.29Å; Q278-L282 WeakPolarHBondContact O-CB 3.34Å; Q278-L282 VanDerWaalsContact O-CG 3.29Å; Q278-L282 WeakPolarHBondContact O-CG 2.94Å; Q278-L282 PolarHBondContact O-N 3.25Å; Q278-H335 WeakPolarHBondContact CG-NE2 3.4Å; Q278-H335 PolarHBondContact NE2-NE2 3.24Å; Q278-H573 PolarHBondContact OE1-CE1 3.29Å |
| 279 | M | 89.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 178 | -69.1 | 165.1 | 59 | 0 | 0 | 112.1 | W156 L160 I252 V254 A275 L276 R281 C283 L295 L298 I300 | W156-M279 HydrophobicContact CH2-CG 4.27Å; W156-M279 HydrophobicContact CZ3-CB 4.45Å; W156-M279 HydrophobicContact CZ3-CG 4.17Å; L160-M279 HydrophobicContact CD1-CG 4.33Å; L160-M279 HydrophobicContact CD2-CG 3.73Å; I252-M279 HydrophobicContact CD1-SD 4.32Å; I252-M279 HydrophobicContact CG2-CE 4.37Å; I252-M279 HydrophobicContact CG2-SD 4.47Å; V254-M279 HydrophobicContact CG2-CE 3.82Å; A275-M279 VanDerWaalsContact O-CG 3.24Å; A275-M279 WeakPolarHBondContact O-CG 3.49Å; A275-M279 PolarHBondContact O-N 3.46Å; L276-M279 PolarHBondContact O-N 2.99Å; M279-R281 VanDerWaalsContact C-N 3.34Å; M279-R281 PolarHBondContact O-N 3.44Å; M279-C283 VanDerWaalsContact O-CB 3.28Å; M279-C283 WeakPolarHBondContact O-CB 3.27Å; M279-C283 PolarHBondContact O-N 3.29Å; M279-C283 PolarHBondContact O-SG 3.01Å; M279-L295 HydrophobicContact CB-CD1 4.24Å; M279-L295 HydrophobicContact CE-CD1 3.86Å; M279-L295 HydrophobicContact CE-CD2 3.71Å; M279-L295 HydrophobicContact CE-CG 4.28Å; M279-L298 HydrophobicContact CE-CD1 3.78Å; M279-L298 HydrophobicContact CE-CD2 4.14Å; M279-L298 HydrophobicContact CE-CG 4.37Å; M279-I300 HydrophobicContact CE-CD1 4.24Å; M279-I300 HydrophobicContact CG-CD1 4.4Å; M279-I300 HydrophobicContact SD-CD1 3.47Å; M279-I300 WeakPolarHBondContact SD-CD1 3.18Å |
| 280 | V | 87.7 | Confident | 79.9 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -60.4 | -45.7 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | M179 W210 L213 L276 V277 Q278 L284 L285 | M179-V280 HydrophobicContact CE-CG1 4.35Å; W210-V280 HydrophobicContact CZ3-CG2 4.46Å; L213-V280 HydrophobicContact CD1-CB 4.43Å; L213-V280 HydrophobicContact CD1-CG1 4.04Å; L276-V280 HydrophobicContact CD1-CG2 4.36Å; L276-V280 WeakPolarHBondContact O-CG2 3.45Å; L276-V280 PolarHBondContact O-N 2.89Å; V277-V280 PolarHBondContact O-N 3.23Å; Q278-V280 PolarHBondContact O-N 3.13Å; V280-L284 HydrophobicContact CB-CD1 4.46Å; V280-L284 HydrophobicContact CG1-CD1 4.17Å; V280-L284 HydrophobicContact CG2-CD1 4.26Å; V280-L284 WeakPolarHBondContact O-CA 3.45Å; V280-L284 VanDerWaalsContact O-CB 3.27Å; V280-L284 WeakPolarHBondContact O-CB 3.36Å; V280-L284 PolarHBondContact O-N 3.05Å; V280-L285 HydrophobicContact CG1-CD1 4.42Å; V280-L285 PolarHBondContact O-N 3.2Å |
| 281 | R | 85.5 | Confident | 77.7 | Confident | 24 Ų | 24 | 26.7 Ų | 26.7 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -63.9 | -50.1 | 179.6 | -177.4 | 165.5 | 163 | -86.1 | -25.7 | 112.2 | L213 V277 Q278 M279 G286 D572 N576 | L213-R281 HydrophobicContact CD1-CB 4.32Å; L213-R281 HydrophobicContact CD2-CB 3.79Å; L213-R281 HydrophobicContact CD2-CG 3.83Å; V277-R281 WeakPolarHBondContact O-CB 3.21Å; V277-R281 PolarHBondContact O-N 3.33Å; Q278-R281 PolarHBondContact O-N 3.44Å; M279-R281 VanDerWaalsContact C-N 3.34Å; M279-R281 PolarHBondContact O-N 3.44Å; R281-G286 PolarHBondContact O-N 3.03Å; R281-D572 VanDerWaalsContact CZ-O 3.22Å; R281-D572 IonicContact CZ-OD1 2.67Å; R281-D572 IonicContact CZ-OD2 2.67Å; R281-D572 PolarHBondContact NH1-O 3.13Å; R281-D572 IonicContact NH1-OD1 3.23Å; R281-D572 PolarHBondContact NH1-OD1 2.85Å; R281-D572 IonicContact NH1-OD2 2.78Å; R281-D572 PolarHBondContact NH1-OD2 2.92Å; R281-D572 PolarHBondContact NH2-O 3.48Å; R281-D572 IonicContact NH2-OD1 3.98Å; R281-D572 PolarHBondContact NH2-OD1 2.92Å; R281-D572 IonicContact NH2-OD2 2.78Å; R281-N576 VanDerWaalsContact NH2-CA 3.26Å; R281-N576 PolarHBondContact NH2-O 3.48Å |
| 282 | L | 84.1 | Confident | 75.7 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 12% | 0.12 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -67.2 | -41 | -177.1 | -73 | 170.2 | 0 | 0 | 0 | 112.8 | W156 M159 L160 Q278 D572 | W156-L282 HydrophobicContact CE3-CB 4.22Å; M159-L282 HydrophobicContact CB-CD1 3.89Å; M159-L282 HydrophobicContact CB-CD2 3.84Å; L160-L282 HydrophobicContact CD2-CD1 3.86Å; L160-L282 HydrophobicContact CG-CD1 4.27Å; Q278-L282 VanDerWaalsContact O-CB 3.29Å; Q278-L282 WeakPolarHBondContact O-CB 3.34Å; Q278-L282 VanDerWaalsContact O-CG 3.29Å; Q278-L282 WeakPolarHBondContact O-CG 2.94Å; Q278-L282 PolarHBondContact O-N 3.25Å; L282-D572 VanDerWaalsContact CD2-OD2 3.23Å; L282-D572 WeakPolarHBondContact CD2-OD2 3.36Å |
| 283 | C | 79.1 | Confident | 74.1 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -87.6 | -54.4 | -176.8 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | W156 M279 L295 | W156-C283 WeakPolarHBondContact CH2-SG 3.49Å; W156-C283 WeakPolarHBondContact CZ2-SG 3.27Å; W156-C283 WeakPolarHBondContact CZ3-SG 3.47Å; M279-C283 VanDerWaalsContact O-CB 3.28Å; M279-C283 WeakPolarHBondContact O-CB 3.27Å; M279-C283 PolarHBondContact O-N 3.29Å; M279-C283 PolarHBondContact O-SG 3.01Å; C283-L295 HydrophobicContact CB-CD1 4.07Å; C283-L295 VanDerWaalsContact SG-CD1 3.51Å |
| 284 | L | 70.7 | Confident | 73.3 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -90.9 | -26.8 | -161.8 | -59.2 | 177.2 | 0 | 0 | 0 | 112.8 | M179 V280 P290 L295 | M179-L284 HydrophobicContact CB-CD1 4.01Å; M179-L284 HydrophobicContact CE-CD1 4.15Å; V280-L284 HydrophobicContact CB-CD1 4.46Å; V280-L284 HydrophobicContact CG1-CD1 4.17Å; V280-L284 HydrophobicContact CG2-CD1 4.26Å; V280-L284 WeakPolarHBondContact O-CA 3.45Å; V280-L284 VanDerWaalsContact O-CB 3.27Å; V280-L284 WeakPolarHBondContact O-CB 3.36Å; V280-L284 PolarHBondContact O-N 3.05Å; L284-P290 WeakPolarHBondContact O-CB 3.31Å; L284-L295 HydrophobicContact CD2-CB 4.45Å |
| 285 | L | 66.5 | Low | 72.7 | Confident | 59 Ų | 59 | 33.4 Ų | 33.4 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -105.9 | -34.7 | -173.8 | -64.4 | 174.8 | 0 | 0 | 0 | 112.6 | L213 V280 G289 | L213-L285 HydrophobicContact CB-CD1 3.71Å; L213-L285 HydrophobicContact CD1-CD1 4.34Å; L213-L285 HydrophobicContact CD2-CD1 3.9Å; L213-L285 HydrophobicContact CG-CD1 4.17Å; V280-L285 HydrophobicContact CG1-CD1 4.42Å; V280-L285 PolarHBondContact O-N 3.2Å; L285-G289 CarbonylContact O-C 3.51Å; L285-G289 WeakPolarHBondContact O-CA 3.12Å |
| 286 | G | 62.5 | Low | 72.3 | Confident | 27 Ų | 27 | 34.5 Ų | 34.5 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -175.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R281 | R281-G286 PolarHBondContact O-N 3.03Š|
| 287 | E | 55.1 | Low | 72.1 | Confident | 55 Ų | 55 | 35.5 Ų | 35.5 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -33.8 | 174 | -65.6 | -165.8 | 102.1 | 0 | 0 | 113.2 | S577 R578 Q579 | E287-S577 PolarHBondContact OE1-OG 3.33Å; E287-R578 VanDerWaalsContact CD-CB 3.41Å; E287-R578 HydrophobicContact CG-CB 4.15Å; E287-R578 VanDerWaalsContact OE1-C 3.31Å; E287-R578 VanDerWaalsContact OE1-CA 3.22Å; E287-R578 WeakPolarHBondContact OE1-CA 3.47Å; E287-R578 PolarHBondContact OE1-N 2.87Å; E287-R578 WeakPolarHBondContact OE2-CB 3.49Å; E287-R578 IonicContact OE2-CZ 3.48Å; E287-R578 IonicContact OE2-NE 3.77Å; E287-R578 PolarHBondContact OE2-NE 2.79Å; E287-R578 IonicContact OE2-NH2 3.68Å; E287-R578 PolarHBondContact OE2-NH2 3.35Å; E287-Q579 WeakPolarHBondContact OE1-CG 3.35Å; E287-Q579 PolarHBondContact OE1-N 3Å; E287-Q579 PolarHBondContact OE2-N 3.38Å |
| 288 | T | 45 | Very low | 72.1 | Confident | 122 Ų | 122 | 35.2 Ų | 35.2 | 75% | 0.748 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 19.4 | -175 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 289 | G | 46.1 | Very low | 72.2 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 111.3 | 173 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L285 V291 | L285-G289 CarbonylContact O-C 3.51Å; L285-G289 WeakPolarHBondContact O-CA 3.12Å; G289-V291 PolarHBondContact O-N 2.97Å |
| 290 | P | 44.8 | Very low | 72.6 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | trans | -59 | 113.6 | -174.8 | 21.7 | -31.5 | 0 | 0 | 0 | 110.6 | L284 Q292 | L284-P290 WeakPolarHBondContact O-CB 3.31Å; P290-Q292 VanDerWaalsContact C-N 3.33Å | ||
| 291 | V | 50.6 | Low | 73 | Confident | 90 Ų | 90 | 45 Ų | 45 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -71.5 | -36 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | G289 | G289-V291 PolarHBondContact O-N 2.97Š|
| 292 | Q | 55.2 | Low | 73.6 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -132.9 | 124.2 | 166.6 | -77.6 | 176.4 | -24.1 | 0 | 0 | 107.9 | D154 P290 S294 | D154-Q292 PolarHBondContact OD1-NE2 3.02Å; P290-Q292 VanDerWaalsContact C-N 3.33Å; Q292-S294 PolarHBondContact O-N 2.75Å |
| 293 | A | 64.6 | Low | 74.2 | Confident | 67 Ų | 67 | 45 Ų | 45 | 55% | 0.554 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -71.1 | 11.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S178 | S178-A293 PolarHBondContact OG-O 3.32Š|
| 294 | S | 79.1 | Confident | 75 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -159.7 | 142.2 | -172.7 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | A176 F177 Q292 | A176-S294 WeakPolarHBondContact CB-OG 3.23Å; F177-S294 CarbonylContact O-C 3.56Å; F177-S294 WeakPolarHBondContact O-CA 3.41Å; F177-S294 WeakPolarHBondContact O-CB 3.43Å; Q292-S294 PolarHBondContact O-N 2.75Å |
| 295 | L | 85 | Confident | 76.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 128 | 173.7 | -179.2 | 72.8 | 0 | 0 | 0 | 108.9 | W156 A176 F177 V254 I259 M279 C283 L284 L298 | W156-L295 HydrophobicContact CH2-CD1 3.84Å; W156-L295 HydrophobicContact CZ2-CD1 3.95Å; A176-L295 CarbonylContact C-O 3.6Å; A176-L295 WeakPolarHBondContact CB-O 3.41Å; F177-L295 HydrophobicContact CB-CB 4.25Å; F177-L295 HydrophobicContact CD1-CB 4.46Å; F177-L295 PolarHBondContact N-O 3.34Å; F177-L295 PolarHBondContact O-N 3.23Å; V254-L295 HydrophobicContact CB-CD2 4.2Å; V254-L295 HydrophobicContact CG1-CB 4.49Å; V254-L295 HydrophobicContact CG1-CD2 3.57Å; V254-L295 HydrophobicContact CG1-CG 3.95Å; V254-L295 HydrophobicContact CG2-CD2 3.54Å; V254-L295 HydrophobicContact CG2-CG 4.31Å; I259-L295 HydrophobicContact CD1-CD2 4.09Å; M279-L295 HydrophobicContact CB-CD1 4.24Å; M279-L295 HydrophobicContact CE-CD1 3.86Å; M279-L295 HydrophobicContact CE-CD2 3.71Å; M279-L295 HydrophobicContact CE-CG 4.28Å; C283-L295 HydrophobicContact CB-CD1 4.07Å; C283-L295 VanDerWaalsContact SG-CD1 3.51Å; L284-L295 HydrophobicContact CD2-CB 4.45Å; L295-L298 HydrophobicContact CD1-CD2 4.24Å |
| 296 | P | 86.2 | Confident | 77.5 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 154.1 | 178.4 | 24.4 | -31.6 | 0 | 0 | 0 | 111.4 | W156 I169 L298 | W156-P296 HydrophobicContact CZ2-CG 3.88Å; I169-P296 HydrophobicContact CG2-CB 4.46Å; P296-L298 HydrophobicContact CG-CD2 4.25Å; P296-L298 WeakPolarHBondContact O-CG 3.41Å; P296-L298 PolarHBondContact O-N 3.42Å |
| 297 | L | 91 | Very high | 79.1 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -65.1 | 118.6 | 174.4 | -55.4 | -169.3 | 0 | 0 | 0 | 109.1 | H170 S173 Q175 | H170-L297 HydrophobicContact CB-CB 4.27Å; H170-L297 PolarHBondContact N-O 3.42Å; S173-L297 WeakPolarHBondContact OG-CD1 3.33Å; Q175-L297 HydrophobicContact CB-CD1 4.12Å |
| 298 | L | 93.1 | Very high | 81 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 164.5 | -173.6 | 68 | 82.6 | 0 | 0 | 0 | 110.9 | W156 L167 S168 I169 V254 M279 L295 P296 I300 | W156-L298 HydrophobicContact CH2-CD2 3.77Å; W156-L298 HydrophobicContact CZ2-CD2 3.71Å; L167-L298 HydrophobicContact CD1-CD1 4.19Å; S168-L298 CarbonylContact O-C 3.51Å; S168-L298 VanDerWaalsContact O-CA 3.23Å; S168-L298 WeakPolarHBondContact O-CA 3.43Å; S168-L298 WeakPolarHBondContact O-CB 3.49Å; I169-L298 HydrophobicContact CG1-CB 4.23Å; V254-L298 HydrophobicContact CB-CD1 4.5Å; V254-L298 HydrophobicContact CB-CG 4.15Å; V254-L298 HydrophobicContact CG2-CD1 3.8Å; V254-L298 HydrophobicContact CG2-CG 3.85Å; V254-L298 PolarHBondContact N-O 2.69Å; V254-L298 PolarHBondContact O-N 3.48Å; M279-L298 HydrophobicContact CE-CD1 3.78Å; M279-L298 HydrophobicContact CE-CD2 4.14Å; M279-L298 HydrophobicContact CE-CG 4.37Å; L295-L298 HydrophobicContact CD1-CD2 4.24Å; P296-L298 HydrophobicContact CG-CD2 4.25Å; P296-L298 WeakPolarHBondContact O-CG 3.41Å; P296-L298 PolarHBondContact O-N 3.42Å; L298-I300 HydrophobicContact CD1-CD1 4.01Å; L298-I300 HydrophobicContact CD1-CG1 3.87Å |
| 299 | R | 95.5 | Very high | 83.6 | Confident | 97 Ų | 97 | 43.4 Ų | 43.4 | 37% | 0.366 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.9 | 170.9 | -176.3 | 173.3 | -178.3 | -174.1 | 2.1 | 110.3 | S168 D251 I252 T253 R301 | S168-R299 PolarHBondContact N-O 2.9Å; S168-R299 PolarHBondContact O-N 2.76Å; S168-R299 PolarHBondContact OG-O 2.94Å; D251-R299 WeakPolarHBondContact OD1-CG 3.32Å; D251-R299 IonicContact OD1-NE 2.77Å; D251-R299 PolarHBondContact OD1-NE 3.35Å; D251-R299 VanDerWaalsContact OD1-NE 3.13Å; D251-R299 IonicContact OD2-CZ 3.25Å; D251-R299 VanDerWaalsContact OD2-CZ 3.23Å; D251-R299 IonicContact OD2-NE 2.87Å; D251-R299 PolarHBondContact OD2-NE 3.41Å; D251-R299 IonicContact OD2-NH2 3.18Å; D251-R299 PolarHBondContact OD2-NH2 2.89Å; I252-R299 CarbonylContact O-C 3.57Å; I252-R299 VanDerWaalsContact O-CA 3.25Å; I252-R299 WeakPolarHBondContact O-CA 3.48Å; T253-R299 WeakPolarHBondContact OG1-CD 3.49Å; T253-R299 WeakPolarHBondContact OG1-CG 3.44Å; R299-R301 HydrophobicContact CG-CG 4.43Å |
| 300 | I | 97.1 | Very high | 86 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.6 | 172.5 | -69.3 | 166.4 | 0 | 0 | 0 | 107.5 | L160 P164 Q166 L167 Y250 D251 I252 M279 L298 D302 | L160-I300 HydrophobicContact CD1-CD1 4.15Å; P164-I300 HydrophobicContact CB-CG2 3.78Å; Q166-I300 WeakPolarHBondContact O-CA 3.47Å; L167-I300 HydrophobicContact CD1-CD1 4.18Å; L167-I300 HydrophobicContact CD1-CG1 3.52Å; Y250-I300 HydrophobicContact CE2-CG2 4.01Å; D251-I300 CarbonylContact C-O 3.56Å; D251-I300 VanDerWaalsContact CA-O 3.26Å; D251-I300 WeakPolarHBondContact CA-O 3.45Å; I252-I300 HydrophobicContact CB-CB 4.39Å; I252-I300 PolarHBondContact N-O 3.47Å; I252-I300 PolarHBondContact O-N 3.45Å; M279-I300 HydrophobicContact CE-CD1 4.24Å; M279-I300 HydrophobicContact CG-CD1 4.4Å; M279-I300 HydrophobicContact SD-CD1 3.47Å; M279-I300 WeakPolarHBondContact SD-CD1 3.18Å; L298-I300 HydrophobicContact CD1-CD1 4.01Å; L298-I300 HydrophobicContact CD1-CG1 3.87Å; I300-D302 HydrophobicContact CG2-CB 3.95Å |
| 301 | R | 97 | Very high | 88.5 | Confident | 114 Ų | 114 | 38 Ų | 38 | 43% | 0.43 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.9 | 165.2 | -66 | -168.3 | -61 | -175.3 | -3.9 | 107.6 | Q166 D251 R299 W303 | Q166-R301 HydrophobicContact CB-CB 4.26Å; Q166-R301 WeakPolarHBondContact CB-O 3.44Å; Q166-R301 PolarHBondContact N-O 3.46Å; Q166-R301 VanDerWaalsContact N-O 3.09Å; Q166-R301 PolarHBondContact O-N 3.09Å; D251-R301 HydrophobicContact CB-CG 4.3Å; D251-R301 WeakPolarHBondContact OD2-CG 3.21Å; R299-R301 HydrophobicContact CG-CG 4.43Å; R301-W303 HydrophobicContact CB-CZ3 4.22Å |
| 302 | D | 97.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 152.5 | -169.5 | -155.7 | 15.6 | 0 | 0 | 0 | 112.3 | Q165 S249 Y250 I300 K337 W553 | Q165-D302 WeakPolarHBondContact CG-OD1 3.4Å; Q165-D302 PolarHBondContact N-OD1 3.08Å; S249-D302 WeakPolarHBondContact CA-O 3.4Å; Y250-D302 HydrophobicContact CD1-CB 4.4Å; Y250-D302 HydrophobicContact CD2-CB 4.44Å; Y250-D302 HydrophobicContact CE1-CB 3.79Å; Y250-D302 HydrophobicContact CE2-CB 3.83Å; Y250-D302 VanDerWaalsContact CZ-CB 3.48Å; Y250-D302 PolarHBondContact N-O 3.42Å; Y250-D302 PolarHBondContact O-N 2.91Å; Y250-D302 PolarHBondContact OH-OD2 3.23Å; I300-D302 HydrophobicContact CG2-CB 3.95Å; D302-K337 IonicContact OD2-NZ 2.8Å; D302-K337 PolarHBondContact OD2-NZ 2.93Å; D302-W553 HydrophobicContact CB-CZ2 4.42Å; D302-W553 PolarHBondContact OD1-NE1 3.25Å; D302-W553 WeakPolarHBondContact OD2-CZ2 3.49Å; D302-W553 PolarHBondContact OD2-NE1 3.37Å |
| 303 | W | 96.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 31.5 Ų | 31.5 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | trans | -164.1 | 155.5 | -178.5 | 58.4 | 78.4 | 0 | 0 | 0 | 109.1 | Q165 Q166 S249 R301 | Q165-W303 HydrophobicContact CB-CD2 4.08Å; Q165-W303 HydrophobicContact CB-CE3 4.26Å; Q165-W303 HydrophobicContact CB-CH2 3.9Å; Q165-W303 HydrophobicContact CB-CZ2 3.66Å; Q165-W303 HydrophobicContact CB-CZ3 4.17Å; Q165-W303 HydrophobicContact CG-CD2 3.9Å; Q165-W303 HydrophobicContact CG-CE3 4.49Å; Q165-W303 HydrophobicContact CG-CG 4.12Å; Q165-W303 HydrophobicContact CG-CZ2 4.05Å; Q165-W303 WeakPolarHBondContact CG-O 3.21Å; Q165-W303 PolarHBondContact NE2-O 2.69Å; Q166-W303 HydrophobicContact CG-CH2 3.76Å; Q166-W303 HydrophobicContact CG-CZ3 4.28Å; S249-W303 WeakPolarHBondContact OG-CB 3.36Å; R301-W303 HydrophobicContact CB-CZ3 4.22Å | ||
| 304 | P | 96.6 | Very high | 94.1 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 12% | 0.117 | 13% | 0.129 | C | C | . | . | trans | -73.1 | 139.6 | 175.2 | 28.2 | -33.3 | 0 | 0 | 0 | 112.3 | E248 Q306 W553 | E248-P304 HydrophobicContact CB-CG 4Å; P304-Q306 WeakPolarHBondContact CB-O 3.44Å; P304-W553 HydrophobicContact CB-CD2 4.32Å; P304-W553 HydrophobicContact CB-CE3 3.75Å; P304-W553 HydrophobicContact CB-CH2 4.31Å; P304-W553 HydrophobicContact CB-CZ3 3.74Å; P304-W553 HydrophobicContact CG-CH2 4.42Å; P304-W553 HydrophobicContact CG-CZ3 4.15Å | ||
| 305 | S | 94.9 | Very high | 94.8 | Very high | 45 Ų | 45 | 27.5 Ų | 27.5 | 32% | 0.315 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -71.7 | -37.9 | 169.4 | -56.4 | 0 | 0 | 0 | 0 | 111 | Q165 W553 N554 C555 | Q165-S305 PolarHBondContact NE2-OG 3.28Å; S305-W553 VanDerWaalsContact CB-O 3.31Å; S305-W553 WeakPolarHBondContact CB-O 3.39Å; S305-W553 PolarHBondContact N-O 3.01Å; S305-W553 PolarHBondContact OG-O 2.84Å; S305-N554 WeakPolarHBondContact OG-CA 3.43Å; S305-C555 PolarHBondContact OG-N 2.75Å |
| 306 | Q | 94.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -116.7 | 137 | -179.2 | -70.3 | -177.3 | -20.9 | 0 | 0 | 111 | P304 I308 R309 T524 A552 | P304-Q306 WeakPolarHBondContact CB-O 3.44Å; Q306-I308 VanDerWaalsContact C-N 3.35Å; Q306-R309 PolarHBondContact O-NH1 3.31Å; Q306-T524 VanDerWaalsContact CD-OG1 3.29Å; Q306-T524 PolarHBondContact NE2-OG1 3.02Å; Q306-T524 VanDerWaalsContact NE2-OG1 3.17Å; Q306-T524 VanDerWaalsContact OE1-CB 3.3Å; Q306-T524 PolarHBondContact OE1-OG1 3.41Å; Q306-A552 HydrophobicContact CB-CB 4.46Å; Q306-A552 WeakPolarHBondContact CB-O 3.29Å; Q306-A552 PolarHBondContact N-O 3.47Å; Q306-A552 VanDerWaalsContact OE1-CA 3.27Å |
| 307 | R | 94.2 | Very high | 94.9 | Very high | 164 Ų | 164 | 29.3 Ų | 29.3 | 62% | 0.619 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -69 | -34.7 | 179.5 | -174.8 | 175.1 | 176.1 | -176.3 | -4.4 | 112.1 | R309 N339 L522 | R307-R309 PolarHBondContact O-NH1 3.21Å; R307-N339 PolarHBondContact O-ND2 2.99Å; R307-L522 PolarHBondContact N-O 3.43Å |
| 308 | I | 97 | Very high | 94.7 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.9 | -178.5 | -61 | 171.8 | 0 | 0 | 0 | 109.4 | Q306 A310 F437 V462 L522 G523 T524 | Q306-I308 VanDerWaalsContact C-N 3.35Å; I308-A310 HydrophobicContact CG2-CB 4.05Å; I308-F437 HydrophobicContact CD1-CE1 3.81Å; I308-F437 HydrophobicContact CD1-CZ 4Å; I308-F437 HydrophobicContact CG2-CE1 4.08Å; I308-F437 HydrophobicContact CG2-CZ 4.26Å; I308-V462 HydrophobicContact CD1-CG1 4.42Å; I308-L522 HydrophobicContact CD1-CB 4Å; I308-L522 HydrophobicContact CD1-CD1 4.09Å; I308-L522 HydrophobicContact CG1-CB 4.49Å; I308-L522 PolarHBondContact N-O 3.33Å; I308-G523 CarbonylContact O-C 3.53Å; I308-G523 WeakPolarHBondContact O-CA 3.49Å; I308-T524 PolarHBondContact O-N 3.43Å |
| 309 | R | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 85.8 | -179.7 | -58.6 | 176.1 | -62.8 | -74.8 | 2.7 | 106.8 | E248 Y271 Q306 R307 K337 A338 N339 H340 L549 A552 | E248-R309 IonicContact OE2-CZ 3.9Å; E248-R309 IonicContact OE2-NH1 3.9Å; E248-R309 PolarHBondContact OE2-NH1 2.85Å; E248-R309 IonicContact OE2-NH2 3.81Å; E248-R309 PolarHBondContact OE2-NH2 3.43Å; Y271-R309 PolarHBondContact OH-NH2 3.16Å; Q306-R309 PolarHBondContact O-NH1 3.31Å; R307-R309 PolarHBondContact O-NH1 3.21Å; R309-K337 PolarHBondContact NE-O 3.31Å; R309-A338 WeakPolarHBondContact O-CA 3.39Å; R309-N339 PolarHBondContact N-OD1 3.26Å; R309-N339 PolarHBondContact NH2-ND2 3.37Å; R309-N339 PolarHBondContact O-N 3.37Å; R309-N339 PolarHBondContact O-OD1 2.99Å; R309-H340 PolarHBondContact O-N 3.43Å; R309-L549 HydrophobicContact CB-CD2 4.18Å; R309-A552 HydrophobicContact CB-CB 4.4Å; R309-A552 HydrophobicContact CG-CB 3.78Å |
| 310 | A | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 145.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I308 H340 L342 T524 V525 I526 | I308-A310 HydrophobicContact CG2-CB 4.05Å; A310-H340 VanDerWaalsContact CA-O 3.29Å; A310-H340 WeakPolarHBondContact CA-O 3.4Å; A310-H340 HydrophobicContact CB-CB 3.7Å; A310-L342 HydrophobicContact CB-CD1 4.01Å; A310-T524 PolarHBondContact N-O 2.98Å; A310-V525 HydrophobicContact CB-CB 4.26Å; A310-V525 HydrophobicContact CB-CG1 4Å; A310-V525 HydrophobicContact CB-CG2 3.98Å; A310-V525 WeakPolarHBondContact O-CA 3.22Å; A310-I526 WeakPolarHBondContact O-CG2 3.45Å; A310-I526 PolarHBondContact O-N 2.94Å |
| 311 | L | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132 | 165.1 | 172.5 | 66.7 | 0 | 0 | 0 | 108.7 | L313 I329 M333 H340 L341 L342 I526 | L311-L313 HydrophobicContact CD1-CD2 4.33Å; L311-L313 HydrophobicContact CD2-CD2 3.97Å; L311-L313 HydrophobicContact CD2-CG 4.35Å; L311-L313 HydrophobicContact CG-CD2 4.11Å; L311-L313 HydrophobicContact CG-CG 4.4Å; L311-I329 HydrophobicContact CD2-CG2 3.6Å; L311-M333 HydrophobicContact CD2-CE 4.48Å; L311-M333 HydrophobicContact CD2-CG 3.7Å; L311-M333 HydrophobicContact CD2-SD 4.29Å; L311-H340 PolarHBondContact N-O 3.33Å; L311-L341 HydrophobicContact CB-CD1 4.32Å; L311-L341 HydrophobicContact CD2-CD1 4.06Å; L311-L341 HydrophobicContact CG-CD1 4.24Å; L311-L341 CarbonylContact O-C 3.52Å; L311-L341 WeakPolarHBondContact O-CA 3.19Å; L311-L342 PolarHBondContact O-N 2.66Å; L311-I526 WeakPolarHBondContact CA-O 3.46Å; L311-I526 HydrophobicContact CB-CG2 4.35Å; L311-I526 HydrophobicContact CD1-CG2 3.84Å |
| 312 | L | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.6 | 170.6 | -177.9 | 154.8 | 0 | 0 | 0 | 109.9 | D314 L342 R344 V525 I526 C527 D528 Y529 | L312-D314 HydrophobicContact CD2-CB 4.17Å; L312-L342 CarbonylContact C-O 3.59Å; L312-L342 WeakPolarHBondContact CA-O 3.3Å; L312-L342 HydrophobicContact CB-CB 3.93Å; L312-L342 HydrophobicContact CD1-CB 4.14Å; L312-L342 HydrophobicContact CD1-CD2 4.04Å; L312-L342 HydrophobicContact CG-CB 3.95Å; L312-R344 HydrophobicContact CD2-CB 4.23Å; L312-R344 HydrophobicContact CG-CB 4.5Å; L312-V525 HydrophobicContact CB-CG1 3.96Å; L312-I526 PolarHBondContact N-O 3.47Å; L312-C527 HydrophobicContact CB-CB 4.32Å; L312-C527 HydrophobicContact CD2-CB 4.26Å; L312-D528 PolarHBondContact O-N 2.8Å; L312-Y529 HydrophobicContact CD2-CD1 4.4Å; L312-Y529 HydrophobicContact CD2-CE1 4.02Å |
| 313 | L | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.9 | 170.9 | -60.3 | -178.1 | 0 | 0 | 0 | 109.2 | L311 F315 Y321 I326 I329 L341 L342 R344 D528 | L311-L313 HydrophobicContact CD1-CD2 4.33Å; L311-L313 HydrophobicContact CD2-CD2 3.97Å; L311-L313 HydrophobicContact CD2-CG 4.35Å; L311-L313 HydrophobicContact CG-CD2 4.11Å; L311-L313 HydrophobicContact CG-CG 4.4Å; L313-F315 HydrophobicContact CB-CE1 4.17Å; L313-F315 HydrophobicContact CB-CZ 4.47Å; L313-Y321 HydrophobicContact CD1-CD2 4.26Å; L313-Y321 HydrophobicContact CD2-CE2 4.33Å; L313-I326 HydrophobicContact CD1-CG2 4.41Å; L313-I329 HydrophobicContact CD1-CD1 4.3Å; L313-I329 HydrophobicContact CD1-CG2 4.47Å; L313-L341 HydrophobicContact CD1-CD1 4.02Å; L313-L341 HydrophobicContact CG-CD1 4.13Å; L313-L342 PolarHBondContact N-O 3.3Å; L313-R344 PolarHBondContact O-N 2.99Å; L313-D528 HydrophobicContact CD2-CB 4.28Å |
| 314 | D | 93.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.9 | -175.6 | -173.6 | 38.1 | 0 | 0 | 0 | 112.4 | L312 S316 R344 D528 Y529 S530 | L312-D314 HydrophobicContact CD2-CB 4.17Å; D314-S316 PolarHBondContact OD1-OG 3.26Å; D314-S316 VanDerWaalsContact OD1-OG 3.13Å; D314-S316 PolarHBondContact OD2-OG 3.11Å; D314-R344 WeakPolarHBondContact OD1-CD 3.31Å; D314-R344 IonicContact OD1-CZ 3.88Å; D314-R344 IonicContact OD1-NH1 3.35Å; D314-R344 PolarHBondContact OD1-NH1 3.39Å; D314-R344 IonicContact OD2-NH1 3.79Å; D314-D528 WeakPolarHBondContact CB-O 3.37Å; D314-D528 PolarHBondContact N-O 2.78Å; D314-Y529 HydrophobicContact CB-CD1 3.99Å; D314-S530 PolarHBondContact OD2-N 3.18Å |
| 315 | F | 93.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | trans | -108.9 | 22.9 | 179.2 | -63 | -13.9 | 0 | 0 | 0 | 112.1 | L313 G317 R319 V320 Y321 I326 I343 R344 F345 F357 | L313-F315 HydrophobicContact CB-CE1 4.17Å; L313-F315 HydrophobicContact CB-CZ 4.47Å; F315-G317 VanDerWaalsContact C-N 3.32Å; F315-R319 WeakPolarHBondContact CD1-O 3.31Å; F315-V320 HydrophobicContact CB-CG1 4.39Å; F315-V320 HydrophobicContact CB-CG2 4.1Å; F315-V320 HydrophobicContact CD1-CG1 4.46Å; F315-V320 HydrophobicContact CD2-CG1 3.86Å; F315-V320 HydrophobicContact CE2-CG1 4.21Å; F315-V320 HydrophobicContact CG-CB 4.47Å; F315-V320 HydrophobicContact CG-CG1 4.01Å; F315-V320 HydrophobicContact CG-CG2 4.41Å; F315-Y321 AromaticContact CE1-CD2 3.55Å; F315-Y321 HydrophobicContact CE1-CD2 3.55Å; F315-Y321 HydrophobicContact CE1-CE2 4.18Å; F315-Y321 HydrophobicContact CE1-CG 4.16Å; F315-Y321 AromaticContact CZ-CD2 3.91Å; F315-Y321 HydrophobicContact CZ-CD2 3.91Å; F315-Y321 HydrophobicContact CZ-CG 4.37Å; F315-I326 HydrophobicContact CE2-CD1 3.88Å; F315-I326 HydrophobicContact CZ-CD1 3.8Å; F315-I326 HydrophobicContact CZ-CG1 4.18Å; F315-I343 HydrophobicContact CD2-CG2 3.45Å; F315-I343 VanDerWaalsContact CD2-CG2 3.45Å; F315-I343 HydrophobicContact CE2-CG2 3.39Å; F315-I343 HydrophobicContact CG-CG2 4.3Å; F315-I343 HydrophobicContact CZ-CG2 4.17Å; F315-R344 WeakPolarHBondContact CA-O 3.35Å; F315-R344 WeakPolarHBondContact CB-O 3.32Å; F315-R344 PolarHBondContact N-O 3.45Å; F315-F345 HydrophobicContact CB-CD1 4.27Å; F315-F345 HydrophobicContact CB-CE1 4.27Å; F315-F345 AromaticContact CD2-CE1 3.77Å; F315-F345 HydrophobicContact CD2-CE1 3.77Å; F315-F345 AromaticContact CD2-CZ 3.96Å; F315-F345 HydrophobicContact CD2-CZ 3.96Å; F315-F357 AromaticContact CD2-CE2 3.9Å; F315-F357 HydrophobicContact CD2-CE2 3.9Å; F315-F357 HydrophobicContact CD2-CZ 4.32Å; F315-F357 AromaticContact CE2-CE2 3.69Å; F315-F357 HydrophobicContact CE2-CE2 3.69Å; F315-F357 AromaticContact CE2-CZ 3.8Å; F315-F357 HydrophobicContact CE2-CZ 3.8Å | ||
| 316 | S | 88.2 | Confident | 93.8 | Very high | 39 Ų | 39 | 24.7 Ų | 24.7 | 27% | 0.273 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -75.6 | -20.5 | 172.2 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | D314 R344 E346 | D314-S316 PolarHBondContact OD1-OG 3.26Å; D314-S316 VanDerWaalsContact OD1-OG 3.13Å; D314-S316 PolarHBondContact OD2-OG 3.11Å; S316-R344 VanDerWaalsContact CB-NH1 3.35Å; S316-R344 PolarHBondContact OG-NH1 3.41Å; S316-R344 VanDerWaalsContact OG-NH1 3.13Å; S316-E346 WeakPolarHBondContact CB-OE2 3.41Å |
| 317 | G | 85.8 | Confident | 93.8 | Very high | 27 Ų | 27 | 24.8 Ų | 24.8 | 28% | 0.278 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -93.8 | -159.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F315 R319 | F315-G317 VanDerWaalsContact C-N 3.32Å; G317-R319 VanDerWaalsContact C-N 3.34Å |
| 318 | C | 86.7 | Confident | 93.7 | Very high | 29 Ų | 29 | 20.2 Ų | 20.2 | 20% | 0.196 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -76.2 | -27.6 | 177.2 | -44.7 | 0 | 0 | 0 | 0 | 111.6 | V320 E534 W741 T749 D752 A753 | C318-V320 PolarHBondContact O-N 3.39Å; C318-E534 VanDerWaalsContact CB-CD 3.45Å; C318-E534 HydrophobicContact CB-CG 3.88Å; C318-E534 WeakPolarHBondContact CB-OE1 3.21Å; C318-E534 PolarHBondContact N-OE1 3.32Å; C318-E534 PolarHBondContact SG-OE1 3.01Å; C318-W741 HydrophobicContact CB-CH2 4.28Å; C318-W741 HydrophobicContact CB-CZ2 4.27Å; C318-W741 WeakPolarHBondContact O-CZ2 3.35Å; C318-T749 WeakPolarHBondContact O-CB 3.48Å; C318-T749 WeakPolarHBondContact O-CG2 3.34Å; C318-T749 PolarHBondContact O-OG1 3.18Å; C318-D752 HydrophobicContact CB-CB 4.32Å; C318-A753 HydrophobicContact CB-CB 4.29Å |
| 319 | R | 91.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | trans | -70.3 | 95.9 | 179.3 | -168.3 | 175.3 | 72.4 | 171.6 | 5.6 | 111.6 | F315 G317 Y321 D528 Y529 E534 V536 W741 | F315-R319 WeakPolarHBondContact CD1-O 3.31Å; G317-R319 VanDerWaalsContact C-N 3.34Å; R319-Y321 WeakPolarHBondContact CD-OH 3.03Å; R319-Y321 HydrophobicContact CG-CE1 3.96Å; R319-Y321 PolarHBondContact NE-OH 3.35Å; R319-D528 IonicContact CZ-OD1 2.81Å; R319-D528 IonicContact NH1-OD1 3.56Å; R319-D528 PolarHBondContact NH1-OD1 2.87Å; R319-D528 PolarHBondContact NH2-O 2.77Å; R319-D528 VanDerWaalsContact NH2-O 3.07Å; R319-D528 IonicContact NH2-OD1 3.33Å; R319-D528 PolarHBondContact NH2-OD1 2.87Å; R319-D528 IonicContact NH2-OD2 2.89Å; R319-Y529 PolarHBondContact NH2-O 3.28Å; R319-E534 WeakPolarHBondContact CB-OE2 3.35Å; R319-E534 PolarHBondContact N-OE2 3.42Å; R319-V536 PolarHBondContact NH1-O 3.4Å; R319-W741 HydrophobicContact CB-CH2 3.87Å; R319-W741 HydrophobicContact CB-CZ3 4.48Å; R319-W741 HydrophobicContact CG-CH2 4.32Å | ||
| 320 | V | 93.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 20 Ų | 20 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | trans | -122.2 | 115.1 | 172.2 | -173 | 0 | 0 | 0 | 0 | 108.7 | F315 C318 P356 F357 N745 L746 T749 | F315-V320 HydrophobicContact CB-CG1 4.39Å; F315-V320 HydrophobicContact CB-CG2 4.1Å; F315-V320 HydrophobicContact CD1-CG1 4.46Å; F315-V320 HydrophobicContact CD2-CG1 3.86Å; F315-V320 HydrophobicContact CE2-CG1 4.21Å; F315-V320 HydrophobicContact CG-CB 4.47Å; F315-V320 HydrophobicContact CG-CG1 4.01Å; F315-V320 HydrophobicContact CG-CG2 4.41Å; C318-V320 PolarHBondContact O-N 3.39Å; V320-P356 HydrophobicContact CG1-CB 4.15Å; V320-P356 HydrophobicContact CG1-CG 3.92Å; V320-F357 HydrophobicContact CG1-CE2 4.13Å; V320-F357 HydrophobicContact CG1-CZ 3.8Å; V320-N745 CarbonylContact O-C 2.96Å; V320-N745 VanDerWaalsContact O-CA 3.25Å; V320-N745 WeakPolarHBondContact O-CA 3.43Å; V320-N745 WeakPolarHBondContact O-CB 3.44Å; V320-L746 HydrophobicContact CB-CD1 3.98Å; V320-L746 HydrophobicContact CG1-CD1 3.49Å; V320-L746 VanDerWaalsContact CG1-CD1 3.49Å; V320-L746 HydrophobicContact CG1-CG 4.35Å; V320-L746 PolarHBondContact O-N 3.25Å; V320-T749 HydrophobicContact CB-CG2 4.37Å; V320-T749 HydrophobicContact CG2-CG2 4.21Å | ||
| 321 | Y | 95 | Very high | 93.2 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -73.3 | 149 | -176 | -64.2 | -50.8 | 0 | 0 | 0 | 112.8 | L313 F315 R319 T325 I329 F357 H538 R744 N745 | L313-Y321 HydrophobicContact CD1-CD2 4.26Å; L313-Y321 HydrophobicContact CD2-CE2 4.33Å; F315-Y321 AromaticContact CE1-CD2 3.55Å; F315-Y321 HydrophobicContact CE1-CD2 3.55Å; F315-Y321 HydrophobicContact CE1-CE2 4.18Å; F315-Y321 HydrophobicContact CE1-CG 4.16Å; F315-Y321 AromaticContact CZ-CD2 3.91Å; F315-Y321 HydrophobicContact CZ-CD2 3.91Å; F315-Y321 HydrophobicContact CZ-CG 4.37Å; R319-Y321 WeakPolarHBondContact CD-OH 3.03Å; R319-Y321 HydrophobicContact CG-CE1 3.96Å; R319-Y321 PolarHBondContact NE-OH 3.35Å; Y321-T325 HydrophobicContact CD1-CG2 3.73Å; Y321-T325 HydrophobicContact CE1-CG2 4.47Å; Y321-T325 HydrophobicContact CG-CG2 3.88Å; Y321-I329 HydrophobicContact CD2-CD1 3.9Å; Y321-I329 HydrophobicContact CE2-CD1 3.92Å; Y321-I329 HydrophobicContact CG-CD1 4.47Å; Y321-F357 WeakPolarHBondContact O-CE1 3.49Å; Y321-F357 VanDerWaalsContact O-CZ 3.24Å; Y321-F357 WeakPolarHBondContact O-CZ 3.38Å; Y321-H538 HydrophobicContact CE1-CB 4.38Å; Y321-H538 WeakPolarHBondContact OH-CB 3.4Å; Y321-R744 WeakPolarHBondContact CA-O 3.35Å; Y321-R744 HydrophobicContact CD1-CB 4.33Å; Y321-N745 WeakPolarHBondContact CD1-OD1 3.24Å; Y321-N745 WeakPolarHBondContact CE1-OD1 2.92Å |
| 322 | M | 94.6 | Very high | 93 | Very high | 52 Ų | 52 | 24.9 Ų | 24.9 | 26% | 0.256 | 14% | 0.14 | S | C | . | . | trans | -64.1 | 147.7 | 165.6 | -66.1 | -65.5 | -71.6 | 0 | 0 | 110.4 | E324 T325 I326 R744 L746 | M322-E324 WeakPolarHBondContact CB-OE2 3.49Å; M322-E324 PolarHBondContact O-N 3.16Å; M322-E324 VanDerWaalsContact O-N 3.14Å; M322-T325 WeakPolarHBondContact O-CA 3.31Å; M322-T325 WeakPolarHBondContact O-CB 3.48Å; M322-T325 PolarHBondContact O-N 3.3Å; M322-I326 PolarHBondContact O-N 3.04Å; M322-R744 PolarHBondContact N-O 3.17Å; M322-L746 HydrophobicContact SD-CB 4.44Å; M322-L746 HydrophobicContact SD-CD2 3.35Å; M322-L746 WeakPolarHBondContact SD-CD2 3.45Å; M322-L746 HydrophobicContact SD-CG 4Å | ||
| 323 | P | 92.7 | Very high | 92.9 | Very high | 21 Ų | 21 | 25 Ų | 25 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.4 | -35.8 | 177.6 | -25.5 | 34.4 | 0 | 0 | 0 | 113.5 | I326 G327 F357 K361 | P323-I326 PolarHBondContact O-N 3.08Å; P323-G327 PolarHBondContact O-N 3.49Å; P323-F357 HydrophobicContact CG-CD1 4.04Å; P323-F357 HydrophobicContact CG-CE1 4.01Å; P323-K361 HydrophobicContact CG-CB 4.32Å; P323-K361 HydrophobicContact CG-CD 4.14Å |
| 324 | E | 91.9 | Very high | 92.9 | Very high | 123 Ų | 123 | 25.1 Ų | 25.1 | 58% | 0.575 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -64.7 | -40.5 | 176.9 | -60.4 | 73.3 | -158.5 | 0 | 0 | 111.5 | M322 G327 Q328 | M322-E324 WeakPolarHBondContact CB-OE2 3.49Å; M322-E324 PolarHBondContact O-N 3.16Å; M322-E324 VanDerWaalsContact O-N 3.14Å; E324-G327 PolarHBondContact O-N 2.73Å; E324-Q328 WeakPolarHBondContact O-CG 3.43Å; E324-Q328 PolarHBondContact O-N 2.84Å |
| 325 | T | 94.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 175.8 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | Y321 M322 G327 Q328 I329 R744 | Y321-T325 HydrophobicContact CD1-CG2 3.73Å; Y321-T325 HydrophobicContact CE1-CG2 4.47Å; Y321-T325 HydrophobicContact CG-CG2 3.88Å; M322-T325 WeakPolarHBondContact O-CA 3.31Å; M322-T325 WeakPolarHBondContact O-CB 3.48Å; M322-T325 PolarHBondContact O-N 3.3Å; T325-G327 VanDerWaalsContact C-N 3.3Å; T325-G327 PolarHBondContact O-N 3.14Å; T325-Q328 PolarHBondContact O-N 3.28Å; T325-I329 HydrophobicContact CG2-CD1 4.06Å; T325-I329 VanDerWaalsContact O-CG1 3.29Å; T325-I329 WeakPolarHBondContact O-CG1 3.4Å; T325-I329 PolarHBondContact O-N 2.91Å; T325-R744 WeakPolarHBondContact CB-O 3.39Å; T325-R744 HydrophobicContact CG2-CB 4.31Å; T325-R744 WeakPolarHBondContact OG1-CA 3.29Å; T325-R744 PolarHBondContact OG1-O 3.25Å; T325-R744 VanDerWaalsContact OG1-O 3.11Å |
| 326 | I | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.2 | -56.6 | 171.1 | 0 | 0 | 0 | 109.9 | L313 F315 M322 P323 Q328 I329 V330 L341 I343 F357 L365 | L313-I326 HydrophobicContact CD1-CG2 4.41Å; F315-I326 HydrophobicContact CE2-CD1 3.88Å; F315-I326 HydrophobicContact CZ-CD1 3.8Å; F315-I326 HydrophobicContact CZ-CG1 4.18Å; M322-I326 PolarHBondContact O-N 3.04Å; P323-I326 PolarHBondContact O-N 3.08Å; I326-Q328 VanDerWaalsContact C-N 3.33Å; I326-Q328 PolarHBondContact O-N 3.44Å; I326-I329 WeakPolarHBondContact O-CB 3.43Å; I326-I329 PolarHBondContact O-N 3.03Å; I326-I329 VanDerWaalsContact O-N 3.14Å; I326-V330 HydrophobicContact CG2-CG2 4.21Å; I326-V330 VanDerWaalsContact O-CG2 3.3Å; I326-V330 WeakPolarHBondContact O-CG2 3.46Å; I326-V330 PolarHBondContact O-N 3.47Å; I326-L341 HydrophobicContact CG2-CD2 3.92Å; I326-I343 HydrophobicContact CD1-CD1 4.4Å; I326-I343 HydrophobicContact CG2-CD1 4.37Å; I326-F357 HydrophobicContact CD1-CZ 4.05Å; I326-L365 HydrophobicContact CB-CD1 4.19Å; I326-L365 HydrophobicContact CD1-CD2 4.17Å; I326-L365 HydrophobicContact CG2-CD1 3.67Å; I326-L365 HydrophobicContact CG2-CD2 4.07Å |
| 327 | G | 93.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 12% | 0.124 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.9 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P323 E324 T325 I329 V330 V331 | P323-G327 PolarHBondContact O-N 3.49Å; E324-G327 PolarHBondContact O-N 2.73Å; T325-G327 VanDerWaalsContact C-N 3.3Å; T325-G327 PolarHBondContact O-N 3.14Å; G327-I329 PolarHBondContact O-N 3.25Å; G327-V330 PolarHBondContact O-N 2.92Å; G327-V331 VanDerWaalsContact O-CG2 3.29Å; G327-V331 WeakPolarHBondContact O-CG2 3.42Å; G327-V331 PolarHBondContact O-N 3.25Å |
| 328 | Q | 91.9 | Very high | 94 | Very high | 68 Ų | 68 | 22.1 Ų | 22.1 | 32% | 0.318 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.8 | -69.4 | 177.1 | -14.1 | 0 | 0 | 112.8 | E324 T325 I326 R332 E670 | E324-Q328 WeakPolarHBondContact O-CG 3.43Å; E324-Q328 PolarHBondContact O-N 2.84Å; T325-Q328 PolarHBondContact O-N 3.28Å; I326-Q328 VanDerWaalsContact C-N 3.33Å; I326-Q328 PolarHBondContact O-N 3.44Å; Q328-R332 WeakPolarHBondContact O-CG 3.45Å; Q328-R332 PolarHBondContact O-N 2.97Å; Q328-E670 PolarHBondContact NE2-OE1 3.17Å; Q328-E670 PolarHBondContact OE1-OE1 3.28Å; Q328-E670 PolarHBondContact OE1-OE2 3.39Å |
| 329 | I | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 176.1 | -65.7 | 170.9 | 0 | 0 | 0 | 109.5 | L311 L313 Y321 T325 I326 G327 V331 R332 M333 H538 | L311-I329 HydrophobicContact CD2-CG2 3.6Å; L313-I329 HydrophobicContact CD1-CD1 4.3Å; L313-I329 HydrophobicContact CD1-CG2 4.47Å; Y321-I329 HydrophobicContact CD2-CD1 3.9Å; Y321-I329 HydrophobicContact CE2-CD1 3.92Å; Y321-I329 HydrophobicContact CG-CD1 4.47Å; T325-I329 HydrophobicContact CG2-CD1 4.06Å; T325-I329 VanDerWaalsContact O-CG1 3.29Å; T325-I329 WeakPolarHBondContact O-CG1 3.4Å; T325-I329 PolarHBondContact O-N 2.91Å; I326-I329 WeakPolarHBondContact O-CB 3.43Å; I326-I329 PolarHBondContact O-N 3.03Å; I326-I329 VanDerWaalsContact O-N 3.14Å; G327-I329 PolarHBondContact O-N 3.25Å; I329-V331 VanDerWaalsContact C-N 3.32Å; I329-V331 PolarHBondContact O-N 3.48Å; I329-R332 PolarHBondContact O-N 3.13Å; I329-R332 VanDerWaalsContact O-N 3.13Å; I329-M333 HydrophobicContact CG2-CE 4.44Å; I329-M333 HydrophobicContact CG2-CG 4.13Å; I329-M333 WeakPolarHBondContact O-CG 3.42Å; I329-M333 PolarHBondContact O-N 2.88Å; I329-H538 WeakPolarHBondContact CG1-NE2 3.42Å |
| 330 | V | 95.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | -179.2 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | I326 G327 R332 M333 A334 L341 L372 V374 | I326-V330 HydrophobicContact CG2-CG2 4.21Å; I326-V330 VanDerWaalsContact O-CG2 3.3Å; I326-V330 WeakPolarHBondContact O-CG2 3.46Å; I326-V330 PolarHBondContact O-N 3.47Å; G327-V330 PolarHBondContact O-N 2.92Å; V330-R332 PolarHBondContact O-N 3.42Å; V330-M333 PolarHBondContact O-N 3.24Å; V330-A334 WeakPolarHBondContact O-CB 3.32Å; V330-A334 PolarHBondContact O-N 3.01Å; V330-L341 HydrophobicContact CG2-CD1 4.2Å; V330-L341 HydrophobicContact CG2-CD2 3.37Å; V330-L341 HydrophobicContact CG2-CG 4.25Å; V330-L372 HydrophobicContact CG1-CD1 3.83Å; V330-V374 HydrophobicContact CG1-CB 4.16Å; V330-V374 HydrophobicContact CG1-CG1 4.27Å; V330-V374 HydrophobicContact CG1-CG2 4.07Å |
| 331 | V | 93.3 | Very high | 95 | Very high | 67 Ų | 67 | 21.5 Ų | 21.5 | 41% | 0.406 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -58.8 | -45.4 | 176.1 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | G327 I329 H335 L372 | G327-V331 VanDerWaalsContact O-CG2 3.29Å; G327-V331 WeakPolarHBondContact O-CG2 3.42Å; G327-V331 PolarHBondContact O-N 3.25Å; I329-V331 VanDerWaalsContact C-N 3.32Å; I329-V331 PolarHBondContact O-N 3.48Å; V331-H335 PolarHBondContact O-N 3.41Å; V331-H335 VanDerWaalsContact O-N 3.07Å; V331-L372 HydrophobicContact CG2-CD1 3.63Å |
| 332 | R | 92.4 | Very high | 95.2 | Very high | 37 Ų | 37 | 21.3 Ų | 21.3 | 14% | 0.14 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 178.3 | -69.6 | 177.4 | -177 | 134.5 | 4.9 | 111.7 | Q328 I329 V330 H335 L336 L574 E670 | Q328-R332 WeakPolarHBondContact O-CG 3.45Å; Q328-R332 PolarHBondContact O-N 2.97Å; I329-R332 PolarHBondContact O-N 3.13Å; I329-R332 VanDerWaalsContact O-N 3.13Å; V330-R332 PolarHBondContact O-N 3.42Å; R332-H335 WeakPolarHBondContact O-CB 3.16Å; R332-H335 PolarHBondContact O-N 3.29Å; R332-L336 PolarHBondContact O-N 3.37Å; R332-L574 HydrophobicContact CB-CD2 4.31Å; R332-E670 IonicContact CZ-OE2 3.75Å; R332-E670 IonicContact NH1-OE2 3.95Å; R332-E670 IonicContact NH2-OE2 3.36Å; R332-E670 PolarHBondContact NH2-OE2 3.13Å |
| 333 | M | 95.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 3% | 0.025 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74.6 | -34.3 | -177.6 | -59 | -65.3 | 160.4 | 0 | 0 | 111.9 | L311 I329 V330 H335 L336 K337 A338 F542 A545 L549 | L311-M333 HydrophobicContact CD2-CE 4.48Å; L311-M333 HydrophobicContact CD2-CG 3.7Å; L311-M333 HydrophobicContact CD2-SD 4.29Å; I329-M333 HydrophobicContact CG2-CE 4.44Å; I329-M333 HydrophobicContact CG2-CG 4.13Å; I329-M333 WeakPolarHBondContact O-CG 3.42Å; I329-M333 PolarHBondContact O-N 2.88Å; V330-M333 PolarHBondContact O-N 3.24Å; M333-H335 VanDerWaalsContact C-N 3.29Å; M333-H335 PolarHBondContact O-N 3.42Å; M333-L336 CarbonylContact O-C 3.45Å; M333-L336 VanDerWaalsContact O-C 3.3Å; M333-L336 WeakPolarHBondContact O-CA 3.5Å; M333-L336 WeakPolarHBondContact O-CB 3.46Å; M333-L336 PolarHBondContact O-N 3.24Å; M333-L336 HydrophobicContact SD-CD1 4.26Å; M333-K337 PolarHBondContact O-N 3.2Å; M333-A338 HydrophobicContact CB-CB 3.9Å; M333-A338 WeakPolarHBondContact O-CB 3.37Å; M333-A338 PolarHBondContact O-N 2.99Å; M333-F542 HydrophobicContact CE-CD1 4.41Å; M333-A545 HydrophobicContact CE-CB 3.97Å; M333-A545 HydrophobicContact SD-CB 3.93Å; M333-L549 HydrophobicContact CB-CD1 4.37Å; M333-L549 HydrophobicContact SD-CD1 3.76Å |
| 334 | A | 95.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.8 | -36.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V330 L336 K337 L372 V374 | V330-A334 WeakPolarHBondContact O-CB 3.32Å; V330-A334 PolarHBondContact O-N 3.01Å; A334-L336 PolarHBondContact O-N 2.94Å; A334-K337 WeakPolarHBondContact O-CA 3.38Å; A334-K337 PolarHBondContact O-N 3.41Å; A334-L372 HydrophobicContact CB-CB 4.27Å; A334-V374 HydrophobicContact CB-CG2 3.89Å |
| 335 | H | 94.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 13.7 Ų | 13.7 | 6% | 0.06 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.4 | -30.1 | 171.4 | -169.6 | 79.3 | 0 | 0 | 0 | 112.8 | H274 Q278 V331 R332 M333 K337 H573 | H274-H335 AromaticContact CD2-ND1 3.47Å; H274-H335 PolarHBondContact CD2-ND1 3.4Å; Q278-H335 WeakPolarHBondContact CG-NE2 3.4Å; Q278-H335 PolarHBondContact NE2-NE2 3.24Å; V331-H335 PolarHBondContact O-N 3.41Å; V331-H335 VanDerWaalsContact O-N 3.07Å; R332-H335 WeakPolarHBondContact O-CB 3.16Å; R332-H335 PolarHBondContact O-N 3.29Å; M333-H335 VanDerWaalsContact C-N 3.29Å; M333-H335 PolarHBondContact O-N 3.42Å; H335-K337 PolarHBondContact O-N 2.82Å; H335-H573 AromaticContact NE2-ND1 3.78Å |
| 336 | L | 95.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 13.8 | 171.2 | -59.4 | 175.4 | 0 | 0 | 0 | 113.3 | P162 R332 M333 A334 A338 V546 L549 H573 L574 | P162-L336 WeakPolarHBondContact CG-O 3.48Å; R332-L336 PolarHBondContact O-N 3.37Å; M333-L336 CarbonylContact O-C 3.45Å; M333-L336 VanDerWaalsContact O-C 3.3Å; M333-L336 WeakPolarHBondContact O-CA 3.5Å; M333-L336 WeakPolarHBondContact O-CB 3.46Å; M333-L336 PolarHBondContact O-N 3.24Å; M333-L336 HydrophobicContact SD-CD1 4.26Å; A334-L336 PolarHBondContact O-N 2.94Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 3.36Å; L336-V546 HydrophobicContact CD1-CG2 3.74Å; L336-L549 HydrophobicContact CB-CB 4.43Å; L336-L549 HydrophobicContact CB-CD1 3.95Å; L336-L549 HydrophobicContact CD1-CD1 4.22Å; L336-H573 HydrophobicContact CD2-CB 4.04Å; L336-L574 HydrophobicContact CD1-CD2 4.02Å |
| 337 | K | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 27.8 | 178.9 | -49.7 | 178.5 | -179.2 | 170 | 0 | 114.6 | P162 Y250 Y271 D302 R309 M333 A334 H335 W553 | P162-K337 HydrophobicContact CG-CD 4.26Å; P162-K337 HydrophobicContact CG-CG 4.46Å; Y250-K337 PolarHBondContact OH-NZ 3.11Å; Y271-K337 HydrophobicContact CD1-CB 3.96Å; Y271-K337 HydrophobicContact CD1-CD 4.38Å; Y271-K337 HydrophobicContact CD1-CG 3.86Å; Y271-K337 HydrophobicContact CE1-CB 4.05Å; Y271-K337 HydrophobicContact CE1-CG 4.45Å; Y271-K337 HydrophobicContact CG-CD 4.3Å; Y271-K337 HydrophobicContact CG-CG 4.28Å; D302-K337 IonicContact OD2-NZ 2.8Å; D302-K337 PolarHBondContact OD2-NZ 2.93Å; R309-K337 PolarHBondContact NE-O 3.31Å; M333-K337 PolarHBondContact O-N 3.2Å; A334-K337 WeakPolarHBondContact O-CA 3.38Å; A334-K337 PolarHBondContact O-N 3.41Å; H335-K337 PolarHBondContact O-N 2.82Å; K337-W553 HydrophobicContact CB-CD2 4.42Å; K337-W553 HydrophobicContact CB-CE3 3.68Å; K337-W553 HydrophobicContact CB-CZ3 3.87Å; K337-W553 HydrophobicContact CD-CD2 3.53Å; K337-W553 HydrophobicContact CD-CE3 3.44Å; K337-W553 VanDerWaalsContact CD-CE3 3.44Å; K337-W553 HydrophobicContact CD-CG 4.33Å; K337-W553 HydrophobicContact CD-CH2 3.61Å; K337-W553 HydrophobicContact CD-CZ2 3.66Å; K337-W553 HydrophobicContact CD-CZ3 3.49Å; K337-W553 VanDerWaalsContact CD-CZ3 3.49Å; K337-W553 HydrophobicContact CG-CE3 4.23Å; K337-W553 HydrophobicContact CG-CZ3 4.27Å |
| 338 | A | 97.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | trans | -61.3 | 148 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R309 M333 L336 L549 | R309-A338 WeakPolarHBondContact O-CA 3.39Å; M333-A338 HydrophobicContact CB-CB 3.9Å; M333-A338 WeakPolarHBondContact O-CB 3.37Å; M333-A338 PolarHBondContact O-N 2.99Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 3.36Å; A338-L549 HydrophobicContact CB-CD1 3.98Å; A338-L549 HydrophobicContact CB-CD2 3.8Å | ||
| 339 | N | 97.6 | Very high | 95 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 5% | 0.053 | 10% | 0.103 | C | C | . | . | trans | -131.7 | -5.3 | -179 | 70.8 | -12.7 | 0 | 0 | 0 | 114.4 | Y271 R307 R309 Q375 | Y271-N339 WeakPolarHBondContact OH-CB 3.31Å; R307-N339 PolarHBondContact O-ND2 2.99Å; R309-N339 PolarHBondContact N-OD1 3.26Å; R309-N339 PolarHBondContact NH2-ND2 3.37Å; R309-N339 PolarHBondContact O-N 3.37Å; R309-N339 PolarHBondContact O-OD1 2.99Å; N339-Q375 PolarHBondContact O-N 2.98Å | ||
| 340 | H | 98.2 | Very high | 94.6 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.7 | 172.8 | -66.2 | 70.3 | 0 | 0 | 0 | 110.4 | R309 A310 L311 L342 Q375 F437 | R309-H340 PolarHBondContact O-N 3.43Å; A310-H340 VanDerWaalsContact CA-O 3.29Å; A310-H340 WeakPolarHBondContact CA-O 3.4Å; A310-H340 HydrophobicContact CB-CB 3.7Å; L311-H340 PolarHBondContact N-O 3.33Å; H340-L342 HydrophobicContact CB-CD1 4.17Å; H340-Q375 CarbonylContact C-O 3.54Å; H340-Q375 WeakPolarHBondContact CA-O 3.32Å; H340-Q375 PolarHBondContact NE2-OE1 3.3Å; H340-F437 AromaticContact CD2-CZ 3.77Å |
| 341 | L | 98 | Very high | 94.3 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 111.5 | 171.2 | 179.2 | 74.8 | 0 | 0 | 0 | 109.1 | L311 L313 I326 V330 I343 V374 Q375 L376 V377 | L311-L341 HydrophobicContact CB-CD1 4.32Å; L311-L341 HydrophobicContact CD2-CD1 4.06Å; L311-L341 HydrophobicContact CG-CD1 4.24Å; L311-L341 CarbonylContact O-C 3.52Å; L311-L341 WeakPolarHBondContact O-CA 3.19Å; L313-L341 HydrophobicContact CD1-CD1 4.02Å; L313-L341 HydrophobicContact CG-CD1 4.13Å; I326-L341 HydrophobicContact CG2-CD2 3.92Å; V330-L341 HydrophobicContact CG2-CD1 4.2Å; V330-L341 HydrophobicContact CG2-CD2 3.37Å; V330-L341 HydrophobicContact CG2-CG 4.25Å; L341-I343 HydrophobicContact CD2-CD1 4.04Å; L341-I343 HydrophobicContact CD2-CG1 4.12Å; L341-I343 HydrophobicContact CG-CG1 4.17Å; L341-V374 HydrophobicContact CB-CG1 3.95Å; L341-Q375 PolarHBondContact N-O 3.3Å; L341-L376 HydrophobicContact CD2-CD1 3.92Å; L341-L376 HydrophobicContact CG-CD1 4.45Å; L341-V377 PolarHBondContact O-N 2.97Å |
| 342 | L | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.4 | 173.3 | -77 | 66.2 | 0 | 0 | 0 | 109.1 | A310 L311 L312 L313 H340 V377 H410 I464 | A310-L342 HydrophobicContact CB-CD1 4.01Å; L311-L342 PolarHBondContact O-N 2.66Å; L312-L342 CarbonylContact C-O 3.59Å; L312-L342 WeakPolarHBondContact CA-O 3.3Å; L312-L342 HydrophobicContact CB-CB 3.93Å; L312-L342 HydrophobicContact CD1-CB 4.14Å; L312-L342 HydrophobicContact CD1-CD2 4.04Å; L312-L342 HydrophobicContact CG-CB 3.95Å; L313-L342 PolarHBondContact N-O 3.3Å; H340-L342 HydrophobicContact CB-CD1 4.17Å; L342-V377 VanDerWaalsContact CA-O 3.29Å; L342-V377 WeakPolarHBondContact CA-O 3.32Å; L342-V377 HydrophobicContact CD1-CB 3.87Å; L342-V377 HydrophobicContact CD1-CG1 4.29Å; L342-V377 HydrophobicContact CD1-CG2 3.98Å; L342-V377 HydrophobicContact CG-CB 3.8Å; L342-V377 HydrophobicContact CG-CG1 3.91Å; L342-V377 HydrophobicContact CG-CG2 4.45Å; L342-H410 HydrophobicContact CD2-CB 3.94Å; L342-H410 HydrophobicContact CG-CB 4.38Å; L342-I464 HydrophobicContact CD2-CD1 4.02Å |
| 343 | I | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 106.3 | 174.2 | -54.5 | -175.9 | 0 | 0 | 0 | 108.7 | F315 I326 L341 F345 L365 L376 V377 S379 | F315-I343 HydrophobicContact CD2-CG2 3.45Å; F315-I343 VanDerWaalsContact CD2-CG2 3.45Å; F315-I343 HydrophobicContact CE2-CG2 3.39Å; F315-I343 HydrophobicContact CG-CG2 4.3Å; F315-I343 HydrophobicContact CZ-CG2 4.17Å; I326-I343 HydrophobicContact CD1-CD1 4.4Å; I326-I343 HydrophobicContact CG2-CD1 4.37Å; L341-I343 HydrophobicContact CD2-CD1 4.04Å; L341-I343 HydrophobicContact CD2-CG1 4.12Å; L341-I343 HydrophobicContact CG-CG1 4.17Å; I343-F345 HydrophobicContact CB-CE2 4.13Å; I343-F345 HydrophobicContact CG2-CD2 4.4Å; I343-F345 HydrophobicContact CG2-CE1 4.46Å; I343-F345 HydrophobicContact CG2-CE2 3.52Å; I343-F345 HydrophobicContact CG2-CZ 3.57Å; I343-F345 WeakPolarHBondContact O-CD2 3.44Å; I343-L365 HydrophobicContact CD1-CD2 3.66Å; I343-L376 HydrophobicContact CD1-CD1 3.62Å; I343-L376 HydrophobicContact CG1-CD1 3.97Å; I343-V377 PolarHBondContact N-O 2.84Å; I343-S379 WeakPolarHBondContact O-CA 3.49Å; I343-S379 VanDerWaalsContact O-CB 3.29Å; I343-S379 WeakPolarHBondContact O-CB 3.34Å; I343-S379 PolarHBondContact O-N 3.21Å |
| 344 | R | 95.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.6 | -173.2 | 179.2 | 173.9 | -178.8 | -82.5 | -2.3 | 112.1 | L312 L313 D314 F315 S316 S379 D381 | L312-R344 HydrophobicContact CD2-CB 4.23Å; L312-R344 HydrophobicContact CG-CB 4.5Å; L313-R344 PolarHBondContact O-N 2.99Å; D314-R344 WeakPolarHBondContact OD1-CD 3.31Å; D314-R344 IonicContact OD1-CZ 3.88Å; D314-R344 IonicContact OD1-NH1 3.35Å; D314-R344 PolarHBondContact OD1-NH1 3.39Å; D314-R344 IonicContact OD2-NH1 3.79Å; F315-R344 WeakPolarHBondContact CA-O 3.35Å; F315-R344 WeakPolarHBondContact CB-O 3.32Å; F315-R344 PolarHBondContact N-O 3.45Å; S316-R344 VanDerWaalsContact CB-NH1 3.35Å; S316-R344 PolarHBondContact OG-NH1 3.41Å; S316-R344 VanDerWaalsContact OG-NH1 3.13Å; R344-S379 CarbonylContact C-O 3.53Å; R344-S379 VanDerWaalsContact CA-CB 3.47Å; R344-S379 WeakPolarHBondContact CA-O 3.17Å; R344-S379 WeakPolarHBondContact CA-OG 3.33Å; R344-S379 VanDerWaalsContact CB-OG 3.29Å; R344-S379 WeakPolarHBondContact CB-OG 3.41Å; R344-S379 WeakPolarHBondContact CG-OG 3.45Å; R344-D381 IonicContact CZ-OD2 3.4Å; R344-D381 IonicContact NE-OD2 2.96Å; R344-D381 IonicContact NH2-OD2 2.97Å; R344-D381 PolarHBondContact NH2-OD2 3.16Å |
| 345 | F | 95 | Very high | 93.6 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.3 | 170.5 | -58.6 | -85.8 | 0 | 0 | 0 | 109.2 | F315 I343 L355 P356 F357 S379 I380 D381 F399 F403 | F315-F345 HydrophobicContact CB-CD1 4.27Å; F315-F345 HydrophobicContact CB-CE1 4.27Å; F315-F345 AromaticContact CD2-CE1 3.77Å; F315-F345 HydrophobicContact CD2-CE1 3.77Å; F315-F345 AromaticContact CD2-CZ 3.96Å; F315-F345 HydrophobicContact CD2-CZ 3.96Å; I343-F345 HydrophobicContact CB-CE2 4.13Å; I343-F345 HydrophobicContact CG2-CD2 4.4Å; I343-F345 HydrophobicContact CG2-CE1 4.46Å; I343-F345 HydrophobicContact CG2-CE2 3.52Å; I343-F345 HydrophobicContact CG2-CZ 3.57Å; I343-F345 WeakPolarHBondContact O-CD2 3.44Å; F345-L355 HydrophobicContact CB-CD2 4.36Å; F345-L355 HydrophobicContact CD1-CD2 3.92Å; F345-L355 HydrophobicContact CD2-CD2 4.34Å; F345-L355 HydrophobicContact CE1-CD2 4.29Å; F345-L355 HydrophobicContact CG-CD2 3.94Å; F345-P356 HydrophobicContact CD1-CG 4.3Å; F345-P356 HydrophobicContact CE1-CG 3.72Å; F345-F357 HydrophobicContact CE1-CD2 4.19Å; F345-F357 HydrophobicContact CE1-CE2 4.04Å; F345-F357 HydrophobicContact CZ-CD2 4.05Å; F345-F357 AromaticContact CZ-CE2 3.98Å; F345-F357 HydrophobicContact CZ-CE2 3.98Å; F345-S379 PolarHBondContact N-O 2.8Å; F345-I380 WeakPolarHBondContact O-CA 3.27Å; F345-D381 PolarHBondContact O-N 2.99Å; F345-F399 HydrophobicContact CB-CE2 4.27Å; F345-F399 AromaticContact CD2-CE2 3.81Å; F345-F399 HydrophobicContact CD2-CE2 3.81Å; F345-F399 HydrophobicContact CD2-CZ 4.14Å; F345-F399 HydrophobicContact CG-CE2 4.3Å; F345-F403 HydrophobicContact CD2-CZ 4.45Å; F345-F403 AromaticContact CE2-CZ 3.79Å; F345-F403 HydrophobicContact CE2-CZ 3.79Å; F345-F403 HydrophobicContact CZ-CZ 4.47Å |
| 346 | E | 93.5 | Very high | 93.4 | Very high | 76 Ų | 76 | 41.6 Ų | 41.6 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.2 | 167.9 | -178.5 | 179.5 | -149 | 0 | 0 | 108.6 | S316 N383 | S316-E346 WeakPolarHBondContact CB-OE2 3.41Å; E346-N383 HydrophobicContact CG-CB 4.22Å; E346-N383 VanDerWaalsContact OE1-CA 3.31Å; E346-N383 WeakPolarHBondContact OE1-CA 3.43Å |
| 347 | V | 93.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.1 | 178.9 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | F353 I380 D381 L382 N383 I395 | V347-F353 HydrophobicContact CG1-CD2 4.11Å; V347-F353 HydrophobicContact CG2-CD2 4.1Å; V347-F353 HydrophobicContact CG2-CE2 4Å; V347-I380 HydrophobicContact CG2-CD1 4.23Å; V347-I380 HydrophobicContact CG2-CG1 4.27Å; V347-D381 PolarHBondContact N-O 3.13Å; V347-L382 HydrophobicContact CB-CD2 4.3Å; V347-N383 PolarHBondContact O-N 3.13Å; V347-N383 PolarHBondContact O-OD1 2.82Å; V347-I395 HydrophobicContact CB-CG2 4.27Å; V347-I395 HydrophobicContact CG1-CD1 4.3Å; V347-I395 HydrophobicContact CG1-CG2 3.9Å; V347-I395 HydrophobicContact CG2-CG2 4.29Å |
| 348 | R | 90.7 | Very high | 92.9 | Very high | 155 Ų | 155 | 47.8 Ų | 47.8 | 59% | 0.585 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 121.1 | 169.9 | -66.4 | -178 | -179.1 | 175.8 | 3.6 | 110.2 | Q350 D351 N383 | R348-Q350 PolarHBondContact O-N 3.01Å; R348-D351 HydrophobicContact CB-CB 4.21Å; R348-D351 WeakPolarHBondContact CB-OD2 3.27Å; R348-D351 VanDerWaalsContact CD-OD2 3.29Å; R348-D351 WeakPolarHBondContact CD-OD2 3.41Å; R348-D351 PolarHBondContact O-N 3.32Å; R348-D351 VanDerWaalsContact O-N 3.14Å; R348-N383 WeakPolarHBondContact CA-OD1 3.32Å; R348-N383 HydrophobicContact CG-CB 4.4Å |
| 349 | I | 87.2 | Confident | 92.6 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -33.3 | -173.8 | -60.5 | 139.8 | 0 | 0 | 0 | 112.2 | D351 L382 N383 C384 V387 R391 | I349-D351 VanDerWaalsContact C-N 3.25Å; I349-D351 PolarHBondContact O-N 3.48Å; I349-L382 HydrophobicContact CG1-CD2 4.37Å; I349-N383 VanDerWaalsContact CD1-OD1 3.26Å; I349-N383 WeakPolarHBondContact CD1-OD1 3.36Å; I349-N383 PolarHBondContact N-OD1 3.43Å; I349-N383 VanDerWaalsContact N-OD1 3.16Å; I349-C384 HydrophobicContact CD1-CB 3.55Å; I349-V387 HydrophobicContact CD1-CB 4.38Å; I349-V387 HydrophobicContact CD1-CG1 4.49Å; I349-V387 HydrophobicContact CD1-CG2 3.18Å; I349-V387 HydrophobicContact CG1-CG1 4.11Å; I349-V387 HydrophobicContact CG1-CG2 3.61Å; I349-V387 HydrophobicContact CG2-CG1 3.77Å; I349-V387 HydrophobicContact CG2-CG2 4.44Å; I349-R391 HydrophobicContact CG2-CG 4.17Å |
| 350 | Q | 86.7 | Confident | 92.3 | Very high | 142 Ų | 142 | 56.8 Ų | 56.8 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -23.9 | -179.9 | -59 | 88.2 | -3 | 0 | 0 | 112.7 | R348 N383 | R348-Q350 PolarHBondContact O-N 3.01Å; Q350-N383 PolarHBondContact OE1-ND2 2.81Å |
| 351 | D | 88.1 | Confident | 92 | Very high | 80 Ų | 80 | 60 Ų | 60 | 43% | 0.428 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -92.5 | 158.1 | -174.1 | -62.8 | -21.8 | 0 | 0 | 0 | 111.1 | R348 I349 F353 R391 | R348-D351 HydrophobicContact CB-CB 4.21Å; R348-D351 WeakPolarHBondContact CB-OD2 3.27Å; R348-D351 VanDerWaalsContact CD-OD2 3.29Å; R348-D351 WeakPolarHBondContact CD-OD2 3.41Å; R348-D351 PolarHBondContact O-N 3.32Å; R348-D351 VanDerWaalsContact O-N 3.14Å; I349-D351 VanDerWaalsContact C-N 3.25Å; I349-D351 PolarHBondContact O-N 3.48Å; D351-F353 PolarHBondContact O-N 3.31Å; D351-R391 PolarHBondContact O-NH2 3.38Å |
| 352 | S | 89.1 | Confident | 91.8 | Very high | 101 Ų | 101 | 60 Ų | 60 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 133.8 | 167.1 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | A354 | S352-A354 PolarHBondContact O-N 2.82Š|
| 353 | F | 89.9 | Confident | 91.5 | Very high | 34 Ų | 34 | 65.2 Ų | 65.2 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 123.8 | 177.4 | 175.7 | -96.3 | 0 | 0 | 0 | 110.5 | V347 D351 L355 I395 Q398 F399 | V347-F353 HydrophobicContact CG1-CD2 4.11Å; V347-F353 HydrophobicContact CG2-CD2 4.1Å; V347-F353 HydrophobicContact CG2-CE2 4Å; D351-F353 PolarHBondContact O-N 3.31Å; F353-L355 HydrophobicContact CE1-CG 4.4Å; F353-L355 HydrophobicContact CE2-CD2 4.39Å; F353-L355 HydrophobicContact CZ-CD1 4.25Å; F353-L355 HydrophobicContact CZ-CD2 4.11Å; F353-L355 HydrophobicContact CZ-CG 3.83Å; F353-I395 HydrophobicContact CD2-CG2 4.03Å; F353-I395 HydrophobicContact CE2-CG2 4.48Å; F353-Q398 HydrophobicContact CD1-CB 3.56Å; F353-Q398 HydrophobicContact CD1-CG 4.49Å; F353-Q398 VanDerWaalsContact CD1-OE1 3.29Å; F353-Q398 HydrophobicContact CE1-CB 3.73Å; F353-Q398 HydrophobicContact CG-CB 4.23Å; F353-F399 HydrophobicContact CE2-CB 3.89Å; F353-F399 HydrophobicContact CE2-CD2 4Å; F353-F399 HydrophobicContact CE2-CG 4.47Å; F353-F399 VanDerWaalsContact CZ-CA 3.47Å; F353-F399 HydrophobicContact CZ-CB 3.7Å; F353-F399 AromaticContact CZ-CD2 3.92Å; F353-F399 HydrophobicContact CZ-CD2 3.92Å; F353-F399 HydrophobicContact CZ-CG 4.31Å |
| 354 | A | 90.7 | Very high | 91.4 | Very high | 78 Ų | 78 | 67.2 Ų | 67.2 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | trans | -151.1 | 142.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | S352 | S352-A354 PolarHBondContact O-N 2.82Š| ||
| 355 | L | 92.5 | Very high | 91.3 | Very high | 32 Ų | 32 | 66.2 Ų | 66.2 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | trans | -100.9 | 151.3 | 169.7 | -67.6 | 177.9 | 0 | 0 | 0 | 109.6 | F345 F353 F357 L362 F399 A402 F403 | F345-L355 HydrophobicContact CB-CD2 4.36Å; F345-L355 HydrophobicContact CD1-CD2 3.92Å; F345-L355 HydrophobicContact CD2-CD2 4.34Å; F345-L355 HydrophobicContact CE1-CD2 4.29Å; F345-L355 HydrophobicContact CG-CD2 3.94Å; F353-L355 HydrophobicContact CE1-CG 4.4Å; F353-L355 HydrophobicContact CE2-CD2 4.39Å; F353-L355 HydrophobicContact CZ-CD1 4.25Å; F353-L355 HydrophobicContact CZ-CD2 4.11Å; F353-L355 HydrophobicContact CZ-CG 3.83Å; L355-F357 PolarHBondContact O-N 3.16Å; L355-L362 HydrophobicContact CD1-CD1 4.05Å; L355-F399 HydrophobicContact CD1-CD2 4.37Å; L355-F399 HydrophobicContact CD2-CD2 4.05Å; L355-F399 HydrophobicContact CD2-CE2 4.03Å; L355-A402 HydrophobicContact CD1-CB 3.58Å; L355-F403 HydrophobicContact CD1-CE2 3.74Å; L355-F403 HydrophobicContact CD1-CZ 4.19Å | ||
| 356 | P | 91.3 | Very high | 91.3 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -71.8 | -6.4 | 178.6 | 29.2 | -34.7 | 0 | 0 | 0 | 113.5 | V320 F345 L746 | V320-P356 HydrophobicContact CG1-CB 4.15Å; V320-P356 HydrophobicContact CG1-CG 3.92Å; F345-P356 HydrophobicContact CD1-CG 4.3Å; F345-P356 HydrophobicContact CE1-CG 3.72Å; P356-L746 HydrophobicContact CB-CD1 3.82Å |
| 357 | F | 92.2 | Very high | 91.3 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 8% | 0.075 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -117 | 143.5 | -178.9 | -56.8 | -72.2 | 0 | 0 | 0 | 111.5 | F315 V320 Y321 P323 I326 F345 L355 L362 L746 | F315-F357 AromaticContact CD2-CE2 3.9Å; F315-F357 HydrophobicContact CD2-CE2 3.9Å; F315-F357 HydrophobicContact CD2-CZ 4.32Å; F315-F357 AromaticContact CE2-CE2 3.69Å; F315-F357 HydrophobicContact CE2-CE2 3.69Å; F315-F357 AromaticContact CE2-CZ 3.8Å; F315-F357 HydrophobicContact CE2-CZ 3.8Å; V320-F357 HydrophobicContact CG1-CE2 4.13Å; V320-F357 HydrophobicContact CG1-CZ 3.8Å; Y321-F357 WeakPolarHBondContact O-CE1 3.49Å; Y321-F357 VanDerWaalsContact O-CZ 3.24Å; Y321-F357 WeakPolarHBondContact O-CZ 3.38Å; P323-F357 HydrophobicContact CG-CD1 4.04Å; P323-F357 HydrophobicContact CG-CE1 4.01Å; I326-F357 HydrophobicContact CD1-CZ 4.05Å; F345-F357 HydrophobicContact CE1-CD2 4.19Å; F345-F357 HydrophobicContact CE1-CE2 4.04Å; F345-F357 HydrophobicContact CZ-CD2 4.05Å; F345-F357 AromaticContact CZ-CE2 3.98Å; F345-F357 HydrophobicContact CZ-CE2 3.98Å; L355-F357 PolarHBondContact O-N 3.16Å; F357-L362 HydrophobicContact CB-CD1 4.32Å; F357-L362 HydrophobicContact CB-CD2 3.74Å; F357-L362 HydrophobicContact CB-CG 3.8Å; F357-L362 HydrophobicContact CD2-CD2 3.85Å; F357-L362 HydrophobicContact CG-CD2 4Å; F357-L746 HydrophobicContact CE1-CD1 4.3Å |
| 358 | E | 90.6 | Very high | 91.3 | Very high | 116 Ų | 116 | 72.1 Ų | 72.1 | 54% | 0.542 | 37% | 0.366 | S | S | . | . | trans | -67.5 | 145.2 | 166.8 | -66.6 | 164.4 | 176.7 | 0 | 0 | 110.1 | Q360 K361 L362 | E358-Q360 PolarHBondContact O-N 3.5Å; E358-Q360 VanDerWaalsContact O-N 3.13Å; E358-K361 HydrophobicContact CB-CD 4.4Å; E358-K361 HydrophobicContact CB-CG 4.42Å; E358-K361 WeakPolarHBondContact O-CB 3.28Å; E358-K361 PolarHBondContact O-N 2.85Å; E358-K361 WeakPolarHBondContact OE2-CE 3.24Å; E358-K361 IonicContact OE2-NZ 3.18Å; E358-L362 PolarHBondContact O-N 3.02Å | ||
| 359 | P | 90.1 | Very high | 91.5 | Very high | 89 Ų | 89 | 64.7 Ų | 64.7 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -53.8 | -35.9 | 178.9 | -28.2 | 35.3 | 0 | 0 | 0 | 113.8 | K361 L362 F363 | P359-K361 PolarHBondContact O-N 3.39Å; P359-L362 PolarHBondContact O-N 3.31Å; P359-F363 PolarHBondContact O-N 2.79Å |
| 360 | Q | 91.7 | Very high | 91.9 | Very high | 113 Ų | 113 | 68.6 Ų | 68.6 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.9 | -177.9 | 59 | 39.3 | 0 | 0 | 112.2 | E358 L362 F363 D364 | E358-Q360 PolarHBondContact O-N 3.5Å; E358-Q360 VanDerWaalsContact O-N 3.13Å; Q360-L362 VanDerWaalsContact C-N 3.34Å; Q360-L362 PolarHBondContact O-N 3.43Å; Q360-F363 WeakPolarHBondContact O-CB 3.47Å; Q360-F363 PolarHBondContact O-N 2.87Å; Q360-D364 PolarHBondContact NE2-OD2 3.4Å; Q360-D364 PolarHBondContact O-N 3.09Å |
| 361 | K | 92.8 | Very high | 92.3 | Very high | 85 Ų | 85 | 64.4 Ų | 64.4 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 178.9 | -68.5 | 176.2 | 177.4 | 174.8 | 0 | 111.5 | P323 E358 P359 L365 | P323-K361 HydrophobicContact CG-CB 4.32Å; P323-K361 HydrophobicContact CG-CD 4.14Å; E358-K361 HydrophobicContact CB-CD 4.4Å; E358-K361 HydrophobicContact CB-CG 4.42Å; E358-K361 WeakPolarHBondContact O-CB 3.28Å; E358-K361 PolarHBondContact O-N 2.85Å; E358-K361 WeakPolarHBondContact OE2-CE 3.24Å; E358-K361 IonicContact OE2-NZ 3.18Å; P359-K361 PolarHBondContact O-N 3.39Å; K361-L365 WeakPolarHBondContact O-CB 3.45Å; K361-L365 PolarHBondContact O-N 3.49Å |
| 362 | L | 92.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 174.4 | -64.9 | 176.5 | 0 | 0 | 0 | 111.6 | L355 F357 E358 P359 Q360 L365 N366 F403 | L355-L362 HydrophobicContact CD1-CD1 4.05Å; F357-L362 HydrophobicContact CB-CD1 4.32Å; F357-L362 HydrophobicContact CB-CD2 3.74Å; F357-L362 HydrophobicContact CB-CG 3.8Å; F357-L362 HydrophobicContact CD2-CD2 3.85Å; F357-L362 HydrophobicContact CG-CD2 4Å; E358-L362 PolarHBondContact O-N 3.02Å; P359-L362 PolarHBondContact O-N 3.31Å; Q360-L362 VanDerWaalsContact C-N 3.34Å; Q360-L362 PolarHBondContact O-N 3.43Å; L362-L365 PolarHBondContact O-N 3.4Å; L362-N366 PolarHBondContact O-N 3.41Å; L362-F403 HydrophobicContact CB-CE1 4.5Å; L362-F403 HydrophobicContact CD1-CD1 4.28Å; L362-F403 HydrophobicContact CD1-CE1 3.9Å; L362-F403 HydrophobicContact CD1-CE2 4.39Å; L362-F403 HydrophobicContact CD1-CZ 3.95Å; L362-F403 HydrophobicContact CD2-CE1 3.86Å; L362-F403 HydrophobicContact CD2-CZ 4.27Å; L362-F403 HydrophobicContact CG-CE1 4.31Å |
| 363 | F | 92.5 | Very high | 92.9 | Very high | 109 Ų | 109 | 58.4 Ų | 58.4 | 48% | 0.478 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 174.7 | 179.9 | -93.7 | 0 | 0 | 0 | 112.1 | P359 Q360 L365 N366 R367 | P359-F363 PolarHBondContact O-N 2.79Å; Q360-F363 WeakPolarHBondContact O-CB 3.47Å; Q360-F363 PolarHBondContact O-N 2.87Å; F363-L365 VanDerWaalsContact C-N 3.3Å; F363-L365 PolarHBondContact O-N 3.21Å; F363-N366 WeakPolarHBondContact O-CB 3.16Å; F363-N366 PolarHBondContact O-N 3.08Å; F363-R367 PolarHBondContact O-N 3.36Å |
| 364 | D | 93.2 | Very high | 93.2 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.1 | -76.6 | -48.5 | 0 | 0 | 0 | 111.8 | Q360 R367 I368 | Q360-D364 PolarHBondContact NE2-OD2 3.4Å; Q360-D364 PolarHBondContact O-N 3.09Å; D364-R367 PolarHBondContact O-N 2.91Å; D364-R367 IonicContact OD1-CZ 2.94Å; D364-R367 IonicContact OD1-NH1 3.13Å; D364-R367 IonicContact OD1-NH2 3.34Å; D364-R367 PolarHBondContact OD1-NH2 2.99Å; D364-I368 WeakPolarHBondContact O-CG1 3.5Å; D364-I368 PolarHBondContact O-N 3.16Å |
| 365 | L | 93.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174 | 177.7 | 62.2 | 0 | 0 | 0 | 112.1 | I326 I343 K361 L362 F363 R367 I368 C369 L376 | I326-L365 HydrophobicContact CB-CD1 4.19Å; I326-L365 HydrophobicContact CD1-CD2 4.17Å; I326-L365 HydrophobicContact CG2-CD1 3.67Å; I326-L365 HydrophobicContact CG2-CD2 4.07Å; I343-L365 HydrophobicContact CD1-CD2 3.66Å; K361-L365 WeakPolarHBondContact O-CB 3.45Å; K361-L365 PolarHBondContact O-N 3.49Å; L362-L365 PolarHBondContact O-N 3.4Å; F363-L365 VanDerWaalsContact C-N 3.3Å; F363-L365 PolarHBondContact O-N 3.21Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-R367 PolarHBondContact O-N 3.01Å; L365-I368 PolarHBondContact O-N 3.21Å; L365-C369 PolarHBondContact O-N 2.68Å; L365-C369 PolarHBondContact O-SG 3.07Å; L365-L376 HydrophobicContact CD2-CD1 4.45Å; L365-L376 HydrophobicContact CG-CD2 4.42Å |
| 366 | N | 94.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 176.2 | -171.9 | 54.8 | 0 | 0 | 0 | 111.1 | L362 F363 I368 C369 E370 L376 | L362-N366 PolarHBondContact O-N 3.41Å; F363-N366 WeakPolarHBondContact O-CB 3.16Å; F363-N366 PolarHBondContact O-N 3.08Å; N366-I368 VanDerWaalsContact C-N 3.31Å; N366-I368 PolarHBondContact O-N 3.33Å; N366-C369 PolarHBondContact O-N 2.89Å; N366-C369 VanDerWaalsContact O-N 3.15Å; N366-E370 PolarHBondContact ND2-OE1 3.19Å; N366-E370 WeakPolarHBondContact O-CG 3.43Å; N366-E370 PolarHBondContact O-N 2.78Å; N366-L376 HydrophobicContact CB-CD2 3.87Å; N366-L376 WeakPolarHBondContact OD1-CB 3.43Å |
| 367 | R | 93.9 | Very high | 94.1 | Very high | 138 Ų | 138 | 51.8 Ų | 51.8 | 52% | 0.521 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 177.6 | -172.8 | -177.2 | 66.2 | -151.3 | -14.3 | 112.4 | F363 D364 L365 S371 | F363-R367 PolarHBondContact O-N 3.36Å; D364-R367 PolarHBondContact O-N 2.91Å; D364-R367 IonicContact OD1-CZ 2.94Å; D364-R367 IonicContact OD1-NH1 3.13Å; D364-R367 IonicContact OD1-NH2 3.34Å; D364-R367 PolarHBondContact OD1-NH2 2.99Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-R367 PolarHBondContact O-N 3.01Å; R367-S371 WeakPolarHBondContact O-CB 3.1Å; R367-S371 PolarHBondContact O-N 3.29Å |
| 368 | I | 93.6 | Very high | 94.3 | Very high | 69 Ų | 69 | 51 Ų | 51 | 35% | 0.354 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 176.5 | -69.1 | 166.2 | 0 | 0 | 0 | 110.2 | D364 L365 N366 E370 S371 L372 | D364-I368 WeakPolarHBondContact O-CG1 3.5Å; D364-I368 PolarHBondContact O-N 3.16Å; L365-I368 PolarHBondContact O-N 3.21Å; N366-I368 VanDerWaalsContact C-N 3.31Å; N366-I368 PolarHBondContact O-N 3.33Å; I368-E370 PolarHBondContact O-N 3.48Å; I368-S371 PolarHBondContact O-N 3.46Å; I368-S371 PolarHBondContact O-OG 3.47Å; I368-L372 HydrophobicContact CG2-CD1 4.09Å; I368-L372 WeakPolarHBondContact O-CG 3.27Å; I368-L372 PolarHBondContact O-N 2.87Å |
| 369 | C | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -49 | 178.9 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | L365 N366 S371 L372 Q373 V374 L376 | L365-C369 PolarHBondContact O-N 2.68Å; L365-C369 PolarHBondContact O-SG 3.07Å; N366-C369 PolarHBondContact O-N 2.89Å; N366-C369 VanDerWaalsContact O-N 3.15Å; C369-S371 VanDerWaalsContact C-N 3.33Å; C369-S371 PolarHBondContact O-N 3.05Å; C369-L372 CarbonylContact O-C 3.54Å; C369-L372 WeakPolarHBondContact O-CA 3.38Å; C369-L372 PolarHBondContact O-N 3.43Å; C369-Q373 PolarHBondContact O-N 3.34Å; C369-Q373 VanDerWaalsContact O-N 3.15Å; C369-V374 CarbonylContact C-O 3.57Å; C369-V374 HydrophobicContact CB-CB 4.35Å; C369-V374 WeakPolarHBondContact CB-O 3.48Å; C369-V374 PolarHBondContact O-N 3.08Å; C369-L376 HydrophobicContact CB-CB 4.31Å |
| 370 | E | 94.5 | Very high | 94.9 | Very high | 106 Ų | 106 | 41.3 Ų | 41.3 | 50% | 0.495 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -40.8 | 178.9 | -73.2 | 175.9 | 176.8 | 0 | 0 | 112.5 | N366 I368 L372 Q373 V374 | N366-E370 PolarHBondContact ND2-OE1 3.19Å; N366-E370 WeakPolarHBondContact O-CG 3.43Å; N366-E370 PolarHBondContact O-N 2.78Å; I368-E370 PolarHBondContact O-N 3.48Å; E370-L372 PolarHBondContact O-N 3.34Å; E370-Q373 PolarHBondContact O-N 2.89Å; E370-V374 PolarHBondContact N-O 3.4Å |
| 371 | S | 94.3 | Very high | 95.1 | Very high | 55 Ų | 55 | 36 Ų | 36 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.6 | -34.3 | 176.2 | 76.7 | 0 | 0 | 0 | 0 | 112.3 | V205 R367 I368 C369 Q373 | V205-S371 WeakPolarHBondContact CG1-O 3.36Å; R367-S371 WeakPolarHBondContact O-CB 3.1Å; R367-S371 PolarHBondContact O-N 3.29Å; I368-S371 PolarHBondContact O-N 3.46Å; I368-S371 PolarHBondContact O-OG 3.47Å; C369-S371 VanDerWaalsContact C-N 3.33Å; C369-S371 PolarHBondContact O-N 3.05Å; S371-Q373 VanDerWaalsContact C-N 3.27Å; S371-Q373 PolarHBondContact O-N 3.33Å |
| 372 | L | 95.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.099 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 7.3 | 177 | -65 | 170.5 | 0 | 0 | 0 | 113.1 | V205 L206 V330 V331 A334 I368 C369 E370 V374 | V205-L372 HydrophobicContact CG1-CD2 3.96Å; L206-L372 HydrophobicContact CD2-CD2 4.37Å; V330-L372 HydrophobicContact CG1-CD1 3.83Å; V331-L372 HydrophobicContact CG2-CD1 3.63Å; A334-L372 HydrophobicContact CB-CB 4.27Å; I368-L372 HydrophobicContact CG2-CD1 4.09Å; I368-L372 WeakPolarHBondContact O-CG 3.27Å; I368-L372 PolarHBondContact O-N 2.87Å; C369-L372 CarbonylContact O-C 3.54Å; C369-L372 WeakPolarHBondContact O-CA 3.38Å; C369-L372 PolarHBondContact O-N 3.43Å; E370-L372 PolarHBondContact O-N 3.34Å; L372-V374 HydrophobicContact CB-CG2 4.36Å; L372-V374 PolarHBondContact O-N 3.27Å |
| 373 | Q | 95 | Very high | 95 | Very high | 36 Ų | 36 | 34.4 Ų | 34.4 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 29.9 | -179.4 | -51.4 | 164 | -21.9 | 0 | 0 | 112.4 | L266 V267 C369 E370 S371 | L266-Q373 PolarHBondContact O-NE2 3.29Å; V267-Q373 HydrophobicContact CG1-CB 4.32Å; V267-Q373 HydrophobicContact CG2-CB 4.45Å; V267-Q373 HydrophobicContact CG2-CG 4.49Å; V267-Q373 PolarHBondContact O-OE1 3.41Å; C369-Q373 PolarHBondContact O-N 3.34Å; C369-Q373 VanDerWaalsContact O-N 3.15Å; E370-Q373 PolarHBondContact O-N 2.89Å; S371-Q373 VanDerWaalsContact C-N 3.27Å; S371-Q373 PolarHBondContact O-N 3.33Å |
| 374 | V | 97.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | trans | -109.7 | 128.9 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | V330 A334 L341 C369 E370 L372 | V330-V374 HydrophobicContact CG1-CB 4.16Å; V330-V374 HydrophobicContact CG1-CG1 4.27Å; V330-V374 HydrophobicContact CG1-CG2 4.07Å; A334-V374 HydrophobicContact CB-CG2 3.89Å; L341-V374 HydrophobicContact CB-CG1 3.95Å; C369-V374 CarbonylContact C-O 3.57Å; C369-V374 HydrophobicContact CB-CB 4.35Å; C369-V374 WeakPolarHBondContact CB-O 3.48Å; C369-V374 PolarHBondContact O-N 3.08Å; E370-V374 PolarHBondContact N-O 3.4Å; L372-V374 HydrophobicContact CB-CG2 4.36Å; L372-V374 PolarHBondContact O-N 3.27Å | ||
| 375 | Q | 96.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 27% | 0.271 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.5 | 176.7 | -170.6 | 168 | 12 | 0 | 0 | 110.7 | N339 H340 L341 C408 | N339-Q375 PolarHBondContact O-N 2.98Å; H340-Q375 CarbonylContact C-O 3.54Å; H340-Q375 WeakPolarHBondContact CA-O 3.32Å; H340-Q375 PolarHBondContact NE2-OE1 3.3Å; L341-Q375 PolarHBondContact N-O 3.3Å; Q375-C408 VanDerWaalsContact CD-SG 3.52Å; Q375-C408 PolarHBondContact NE2-SG 3.02Å |
| 376 | L | 97.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.6 | 171.6 | -177.4 | 65.2 | 0 | 0 | 0 | 110 | L341 I343 L365 N366 C369 | L341-L376 HydrophobicContact CD2-CD1 3.92Å; L341-L376 HydrophobicContact CG-CD1 4.45Å; I343-L376 HydrophobicContact CD1-CD1 3.62Å; I343-L376 HydrophobicContact CG1-CD1 3.97Å; L365-L376 HydrophobicContact CD2-CD1 4.45Å; L365-L376 HydrophobicContact CG-CD2 4.42Å; N366-L376 HydrophobicContact CB-CD2 3.87Å; N366-L376 WeakPolarHBondContact OD1-CB 3.43Å; C369-L376 HydrophobicContact CB-CB 4.31Å |
| 377 | V | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 102.6 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | L341 L342 I343 S379 C408 H410 F437 | L341-V377 PolarHBondContact O-N 2.97Å; L342-V377 VanDerWaalsContact CA-O 3.29Å; L342-V377 WeakPolarHBondContact CA-O 3.32Å; L342-V377 HydrophobicContact CD1-CB 3.87Å; L342-V377 HydrophobicContact CD1-CG1 4.29Å; L342-V377 HydrophobicContact CD1-CG2 3.98Å; L342-V377 HydrophobicContact CG-CB 3.8Å; L342-V377 HydrophobicContact CG-CG1 3.91Å; L342-V377 HydrophobicContact CG-CG2 4.45Å; I343-V377 PolarHBondContact N-O 2.84Å; V377-S379 PolarHBondContact O-N 3.5Å; V377-C408 HydrophobicContact CG1-CB 4.14Å; V377-C408 HydrophobicContact CG2-CB 3.89Å; V377-H410 HydrophobicContact CG1-CB 3.92Å; V377-F437 HydrophobicContact CG1-CD2 3.81Å; V377-F437 HydrophobicContact CG1-CE2 4.17Å; V377-F437 HydrophobicContact CG2-CD2 4.49Å; V377-F437 HydrophobicContact CG2-CE2 4.02Å |
| 378 | P | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 131.9 | 171.3 | 28.8 | -36.1 | 0 | 0 | 0 | 109.8 | F399 F403 V406 C408 I409 H410 | P378-F399 HydrophobicContact CB-CE1 3.75Å; P378-F399 HydrophobicContact CB-CZ 3.75Å; P378-F399 HydrophobicContact CG-CE1 4.45Å; P378-F403 HydrophobicContact CB-CD1 3.74Å; P378-F403 HydrophobicContact CB-CD2 3.69Å; P378-F403 HydrophobicContact CB-CE1 3.7Å; P378-F403 HydrophobicContact CB-CE2 3.68Å; P378-F403 HydrophobicContact CB-CG 3.74Å; P378-F403 HydrophobicContact CB-CZ 3.69Å; P378-F403 HydrophobicContact CG-CB 4.39Å; P378-F403 HydrophobicContact CG-CD1 4.19Å; P378-F403 HydrophobicContact CG-CD2 4.25Å; P378-F403 HydrophobicContact CG-CG 4.01Å; P378-V406 HydrophobicContact CG-CG2 3.86Å; P378-C408 WeakPolarHBondContact CD-O 3.49Å; P378-I409 HydrophobicContact CG-CG1 4.49Å; P378-I409 WeakPolarHBondContact O-CG1 3.47Å; P378-H410 PolarHBondContact O-N 3.28Å |
| 379 | S | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.6 | 179.2 | 161.9 | 0 | 0 | 0 | 0 | 109.6 | I343 R344 F345 V377 H410 | I343-S379 WeakPolarHBondContact O-CA 3.49Å; I343-S379 VanDerWaalsContact O-CB 3.29Å; I343-S379 WeakPolarHBondContact O-CB 3.34Å; I343-S379 PolarHBondContact O-N 3.21Å; R344-S379 CarbonylContact C-O 3.53Å; R344-S379 VanDerWaalsContact CA-CB 3.47Å; R344-S379 WeakPolarHBondContact CA-O 3.17Å; R344-S379 WeakPolarHBondContact CA-OG 3.33Å; R344-S379 VanDerWaalsContact CB-OG 3.29Å; R344-S379 WeakPolarHBondContact CB-OG 3.41Å; R344-S379 WeakPolarHBondContact CG-OG 3.45Å; F345-S379 PolarHBondContact N-O 2.8Å; V377-S379 PolarHBondContact O-N 3.5Å; S379-H410 WeakPolarHBondContact CA-O 3.47Å; S379-H410 WeakPolarHBondContact CB-ND1 3.4Å; S379-H410 PolarHBondContact OG-ND1 3.21Å |
| 380 | I | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139 | 177.5 | -177.8 | 173.6 | 0 | 0 | 0 | 110.8 | F345 V347 I395 F399 I409 H410 G412 L415 | F345-I380 WeakPolarHBondContact O-CA 3.27Å; V347-I380 HydrophobicContact CG2-CD1 4.23Å; V347-I380 HydrophobicContact CG2-CG1 4.27Å; I380-I395 HydrophobicContact CD1-CG2 4.02Å; I380-F399 HydrophobicContact CB-CD1 3.88Å; I380-F399 HydrophobicContact CB-CD2 4.2Å; I380-F399 HydrophobicContact CB-CE1 3.64Å; I380-F399 HydrophobicContact CB-CE2 3.98Å; I380-F399 HydrophobicContact CB-CG 4.16Å; I380-F399 HydrophobicContact CB-CZ 3.7Å; I380-F399 HydrophobicContact CD1-CB 3.76Å; I380-F399 HydrophobicContact CD1-CD1 4.07Å; I380-F399 HydrophobicContact CD1-CD2 3.94Å; I380-F399 HydrophobicContact CD1-CG 3.67Å; I380-F399 HydrophobicContact CG1-CD2 4.31Å; I380-F399 HydrophobicContact CG1-CE2 4.45Å; I380-F399 HydrophobicContact CG1-CG 4.35Å; I380-F399 HydrophobicContact CG2-CD1 3.92Å; I380-F399 HydrophobicContact CG2-CE1 3.79Å; I380-F399 HydrophobicContact CG2-CZ 4.35Å; I380-I409 HydrophobicContact CG2-CD1 4.39Å; I380-H410 PolarHBondContact N-O 2.94Å; I380-G412 PolarHBondContact O-N 2.85Å; I380-L415 HydrophobicContact CB-CD2 4.41Å; I380-L415 HydrophobicContact CG1-CD2 4.22Å; I380-L415 HydrophobicContact CG2-CD2 3.63Å |
| 381 | D | 95 | Very high | 93.2 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 168.5 | 170 | -156.8 | 8.3 | 0 | 0 | 0 | 111.2 | R344 F345 V347 P413 T414 L415 | R344-D381 IonicContact CZ-OD2 3.4Å; R344-D381 IonicContact NE-OD2 2.96Å; R344-D381 IonicContact NH2-OD2 2.97Å; R344-D381 PolarHBondContact NH2-OD2 3.16Å; F345-D381 PolarHBondContact O-N 2.99Å; V347-D381 PolarHBondContact N-O 3.13Å; D381-P413 WeakPolarHBondContact OD2-CD 3.42Å; D381-T414 WeakPolarHBondContact OD1-CB 3.24Å; D381-T414 PolarHBondContact OD1-N 3.05Å; D381-T414 VanDerWaalsContact OD1-N 3.08Å; D381-L415 PolarHBondContact OD1-N 2.81Å |
| 382 | L | 93.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.6 | 179.1 | -60.7 | 174.4 | 0 | 0 | 0 | 110.7 | V347 I349 C384 V387 I395 T414 L415 | V347-L382 HydrophobicContact CB-CD2 4.3Å; I349-L382 HydrophobicContact CG1-CD2 4.37Å; L382-C384 VanDerWaalsContact C-N 3.29Å; L382-C384 PolarHBondContact O-N 3.08Å; L382-V387 HydrophobicContact CD1-CG2 3.85Å; L382-I395 HydrophobicContact CD2-CG2 4.45Å; L382-T414 HydrophobicContact CB-CG2 4.12Å; L382-T414 WeakPolarHBondContact O-CB 3.37Å; L382-T414 VanDerWaalsContact O-CG2 3.31Å; L382-T414 WeakPolarHBondContact O-CG2 3.25Å; L382-T414 PolarHBondContact O-OG1 3.28Å; L382-L415 HydrophobicContact CD1-CB 4.25Å; L382-L415 HydrophobicContact CD1-CD1 3.57Å; L382-L415 HydrophobicContact CD1-CG 4.49Å; L382-L415 HydrophobicContact CG-CB 4.08Å; L382-L415 HydrophobicContact CG-CD1 4.01Å |
| 383 | N | 91.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -75.6 | -13.7 | 176.9 | 70.1 | -40.3 | 0 | 0 | 0 | 114.3 | E346 V347 R348 I349 Q350 | E346-N383 HydrophobicContact CG-CB 4.22Å; E346-N383 VanDerWaalsContact OE1-CA 3.31Å; E346-N383 WeakPolarHBondContact OE1-CA 3.43Å; V347-N383 PolarHBondContact O-N 3.13Å; V347-N383 PolarHBondContact O-OD1 2.82Å; R348-N383 WeakPolarHBondContact CA-OD1 3.32Å; R348-N383 HydrophobicContact CG-CB 4.4Å; I349-N383 VanDerWaalsContact CD1-OD1 3.26Å; I349-N383 WeakPolarHBondContact CD1-OD1 3.36Å; I349-N383 PolarHBondContact N-OD1 3.43Å; I349-N383 VanDerWaalsContact N-OD1 3.16Å; Q350-N383 PolarHBondContact OE1-ND2 2.81Å |
| 384 | C | 88.6 | Confident | 93.1 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | trans | -145.3 | 141.3 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | I349 L382 E386 V387 T414 | I349-C384 HydrophobicContact CD1-CB 3.55Å; L382-C384 VanDerWaalsContact C-N 3.29Å; L382-C384 PolarHBondContact O-N 3.08Å; C384-E386 VanDerWaalsContact C-N 3.31Å; C384-E386 PolarHBondContact SG-N 2.85Å; C384-E386 VanDerWaalsContact SG-N 3.44Å; C384-V387 WeakPolarHBondContact O-CG2 3.33Å; C384-T414 WeakPolarHBondContact O-CG2 3.35Å | ||
| 385 | P | 83 | Confident | 93 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -75 | -20.1 | 177.1 | 28.9 | -35.5 | 0 | 0 | 0 | 113.4 | V387 T414 | P385-V387 PolarHBondContact O-N 3.13Å; P385-T414 HydrophobicContact CB-CG2 3.99Å; P385-T414 VanDerWaalsContact N-CG2 3.26Å |
| 386 | E | 85 | Confident | 92.9 | Very high | 163 Ų | 163 | 36.2 Ų | 36.2 | 76% | 0.762 | 20% | 0.195 | S | C | * | . | trans | -90.6 | 89.5 | -177.6 | -63.3 | -175.1 | 174.7 | 0 | 0 | 110.4 | C384 | C384-E386 VanDerWaalsContact C-N 3.31Å; C384-E386 PolarHBondContact SG-N 2.85Å; C384-E386 VanDerWaalsContact SG-N 3.44Å | ||
| 387 | V | 88 | Confident | 92.7 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 12% | 0.121 | 22% | 0.216 | C | C | . | . | trans | -129 | 135.2 | -179.1 | -167 | 0 | 0 | 0 | 0 | 109.6 | I349 L382 C384 P385 R391 C392 | I349-V387 HydrophobicContact CD1-CB 4.38Å; I349-V387 HydrophobicContact CD1-CG1 4.49Å; I349-V387 HydrophobicContact CD1-CG2 3.18Å; I349-V387 HydrophobicContact CG1-CG1 4.11Å; I349-V387 HydrophobicContact CG1-CG2 3.61Å; I349-V387 HydrophobicContact CG2-CG1 3.77Å; I349-V387 HydrophobicContact CG2-CG2 4.44Å; L382-V387 HydrophobicContact CD1-CG2 3.85Å; C384-V387 WeakPolarHBondContact O-CG2 3.33Å; P385-V387 PolarHBondContact O-N 3.13Å; V387-R391 HydrophobicContact CG1-CB 4.33Å; V387-R391 HydrophobicContact CG1-CG 4.31Å; V387-C392 HydrophobicContact CB-CB 4.48Å; V387-C392 HydrophobicContact CG1-CB 3.97Å | ||
| 388 | D | 91.1 | Very high | 92.6 | Very high | 103 Ų | 103 | 42.8 Ų | 42.8 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | trans | -57.4 | 137.7 | 168.2 | 175.1 | -102.4 | 0 | 0 | 0 | 110.9 | D390 R391 C392 | D388-D390 VanDerWaalsContact C-N 3.33Å; D388-D390 PolarHBondContact O-N 3.3Å; D388-D390 WeakPolarHBondContact OD1-CB 3.33Å; D388-D390 PolarHBondContact OD1-N 3.18Å; D388-R391 HydrophobicContact CB-CB 4.13Å; D388-R391 PolarHBondContact O-N 2.8Å; D388-R391 PolarHBondContact OD1-N 3.22Å; D388-R391 VanDerWaalsContact OD1-N 3.08Å; D388-C392 WeakPolarHBondContact O-CB 3.32Å; D388-C392 PolarHBondContact O-N 3.46Å | ||
| 389 | V | 91.6 | Very high | 92.4 | Very high | 36 Ų | 36 | 42.8 Ų | 42.8 | 22% | 0.218 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | -172.8 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | C392 C393 T425 F426 | V389-C392 PolarHBondContact O-N 3.34Å; V389-C393 WeakPolarHBondContact O-CB 3.45Å; V389-C393 PolarHBondContact O-N 3.09Å; V389-C393 PolarHBondContact O-SG 2.79Å; V389-T425 HydrophobicContact CG1-CG2 3.97Å; V389-F426 HydrophobicContact CG1-CE2 4.27Å |
| 390 | D | 92.9 | Very high | 92.3 | Very high | 128 Ų | 128 | 42.9 Ų | 42.9 | 68% | 0.684 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.4 | -40.9 | 179.7 | -66.4 | -30.9 | 0 | 0 | 0 | 110.9 | D388 C393 S394 | D388-D390 VanDerWaalsContact C-N 3.33Å; D388-D390 PolarHBondContact O-N 3.3Å; D388-D390 WeakPolarHBondContact OD1-CB 3.33Å; D388-D390 PolarHBondContact OD1-N 3.18Å; D390-C393 PolarHBondContact O-N 3.3Å; D390-S394 WeakPolarHBondContact O-CB 3.44Å; D390-S394 PolarHBondContact O-N 3Å |
| 391 | R | 93 | Very high | 92.1 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 173.3 | -177.5 | 56.3 | 173.4 | 174 | 0 | 111.7 | I349 D351 V387 D388 S394 I395 | I349-R391 HydrophobicContact CG2-CG 4.17Å; D351-R391 PolarHBondContact O-NH2 3.38Å; V387-R391 HydrophobicContact CG1-CB 4.33Å; V387-R391 HydrophobicContact CG1-CG 4.31Å; D388-R391 HydrophobicContact CB-CB 4.13Å; D388-R391 PolarHBondContact O-N 2.8Å; D388-R391 PolarHBondContact OD1-N 3.22Å; D388-R391 VanDerWaalsContact OD1-N 3.08Å; R391-S394 WeakPolarHBondContact O-CB 3.36Å; R391-S394 PolarHBondContact O-N 3.5Å; R391-I395 HydrophobicContact CG-CD1 4.08Å; R391-I395 WeakPolarHBondContact O-CG1 3.23Å; R391-I395 PolarHBondContact O-N 3.37Å |
| 392 | C | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | V387 D388 V389 S394 I395 V396 F426 | V387-C392 HydrophobicContact CB-CB 4.48Å; V387-C392 HydrophobicContact CG1-CB 3.97Å; D388-C392 WeakPolarHBondContact O-CB 3.32Å; D388-C392 PolarHBondContact O-N 3.46Å; V389-C392 PolarHBondContact O-N 3.34Å; C392-S394 VanDerWaalsContact C-N 3.3Å; C392-S394 PolarHBondContact O-N 3.46Å; C392-I395 PolarHBondContact O-N 2.95Å; C392-V396 WeakPolarHBondContact O-CB 3.38Å; C392-V396 WeakPolarHBondContact O-CG2 3.29Å; C392-V396 PolarHBondContact O-N 2.92Å; C392-F426 HydrophobicContact CB-CZ 4.03Å |
| 393 | C | 94.3 | Very high | 91.8 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.9 | -44.2 | 174 | -76.8 | 0 | 0 | 0 | 0 | 112.2 | V389 D390 S397 F426 | V389-C393 WeakPolarHBondContact O-CB 3.45Å; V389-C393 PolarHBondContact O-N 3.09Å; V389-C393 PolarHBondContact O-SG 2.79Å; D390-C393 PolarHBondContact O-N 3.3Å; C393-S397 WeakPolarHBondContact O-CB 3.29Å; C393-S397 PolarHBondContact O-N 2.91Å; C393-F426 HydrophobicContact CB-CE1 4.44Å; C393-F426 VanDerWaalsContact SG-CE1 3.51Å; C393-F426 WeakPolarHBondContact SG-CZ 3.29Å |
| 394 | S | 94.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 178 | -170.4 | 0 | 0 | 0 | 0 | 112 | D390 R391 C392 S397 Q398 | D390-S394 WeakPolarHBondContact O-CB 3.44Å; D390-S394 PolarHBondContact O-N 3Å; R391-S394 WeakPolarHBondContact O-CB 3.36Å; R391-S394 PolarHBondContact O-N 3.5Å; C392-S394 VanDerWaalsContact C-N 3.3Å; C392-S394 PolarHBondContact O-N 3.46Å; S394-S397 PolarHBondContact O-N 3.27Å; S394-Q398 WeakPolarHBondContact O-CB 3.45Å; S394-Q398 VanDerWaalsContact O-CG 3.28Å; S394-Q398 WeakPolarHBondContact O-CG 3.43Å; S394-Q398 PolarHBondContact O-N 2.92Å; S394-Q398 PolarHBondContact OG-NE2 3.1Å |
| 395 | I | 94.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -51.2 | 179.3 | -70.4 | 167.7 | 0 | 0 | 0 | 110.7 | V347 F353 I380 L382 R391 C392 S397 Q398 F399 | V347-I395 HydrophobicContact CB-CG2 4.27Å; V347-I395 HydrophobicContact CG1-CD1 4.3Å; V347-I395 HydrophobicContact CG1-CG2 3.9Å; V347-I395 HydrophobicContact CG2-CG2 4.29Å; F353-I395 HydrophobicContact CD2-CG2 4.03Å; F353-I395 HydrophobicContact CE2-CG2 4.48Å; I380-I395 HydrophobicContact CD1-CG2 4.02Å; L382-I395 HydrophobicContact CD2-CG2 4.45Å; R391-I395 HydrophobicContact CG-CD1 4.08Å; R391-I395 WeakPolarHBondContact O-CG1 3.23Å; R391-I395 PolarHBondContact O-N 3.37Å; C392-I395 PolarHBondContact O-N 2.95Å; I395-S397 PolarHBondContact O-N 3.03Å; I395-Q398 PolarHBondContact O-N 3Å; I395-F399 WeakPolarHBondContact O-CB 3.43Å; I395-F399 PolarHBondContact O-N 2.88Å |
| 396 | V | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | -177.8 | 172.5 | 0 | 0 | 0 | 0 | 111 | C392 Q398 F399 C400 L415 W428 L429 | C392-V396 WeakPolarHBondContact O-CB 3.38Å; C392-V396 WeakPolarHBondContact O-CG2 3.29Å; C392-V396 PolarHBondContact O-N 2.92Å; V396-Q398 PolarHBondContact O-N 3Å; V396-F399 PolarHBondContact O-N 3.37Å; V396-C400 WeakPolarHBondContact O-CB 3.16Å; V396-C400 PolarHBondContact O-N 3.11Å; V396-C400 PolarHBondContact O-SG 3.05Å; V396-L415 HydrophobicContact CG2-CD1 4.06Å; V396-L415 HydrophobicContact CG2-CD2 4.26Å; V396-W428 HydrophobicContact CG1-CH2 4.05Å; V396-W428 HydrophobicContact CG1-CZ2 4.36Å; V396-L429 HydrophobicContact CG1-CD1 3.6Å; V396-L429 HydrophobicContact CG1-CD2 3.78Å; V396-L429 HydrophobicContact CG1-CG 4.25Å |
| 397 | S | 94.3 | Very high | 92.1 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 177.4 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | C393 S394 I395 S401 | C393-S397 WeakPolarHBondContact O-CB 3.29Å; C393-S397 PolarHBondContact O-N 2.91Å; S394-S397 PolarHBondContact O-N 3.27Å; I395-S397 PolarHBondContact O-N 3.03Å; S397-S401 WeakPolarHBondContact O-CB 3.49Å; S397-S401 PolarHBondContact O-N 3.3Å; S397-S401 VanDerWaalsContact O-N 3.08Å |
| 398 | Q | 94.1 | Very high | 92.5 | Very high | 77 Ų | 77 | 49 Ų | 49 | 36% | 0.36 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.2 | -72.4 | 178.4 | 18.4 | 0 | 0 | 111.2 | F353 S394 I395 V396 S401 A402 | F353-Q398 HydrophobicContact CD1-CB 3.56Å; F353-Q398 HydrophobicContact CD1-CG 4.49Å; F353-Q398 VanDerWaalsContact CD1-OE1 3.29Å; F353-Q398 HydrophobicContact CE1-CB 3.73Å; F353-Q398 HydrophobicContact CG-CB 4.23Å; S394-Q398 WeakPolarHBondContact O-CB 3.45Å; S394-Q398 VanDerWaalsContact O-CG 3.28Å; S394-Q398 WeakPolarHBondContact O-CG 3.43Å; S394-Q398 PolarHBondContact O-N 2.92Å; S394-Q398 PolarHBondContact OG-NE2 3.1Å; I395-Q398 PolarHBondContact O-N 3Å; V396-Q398 PolarHBondContact O-N 3Å; Q398-S401 PolarHBondContact O-N 3.38Å; Q398-S401 PolarHBondContact O-OG 2.87Å; Q398-A402 PolarHBondContact O-N 3.33Å; Q398-A402 VanDerWaalsContact O-N 3.08Å |
| 399 | F | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -51 | 174.6 | -176.6 | -94.8 | 0 | 0 | 0 | 112.1 | F345 F353 L355 P378 I380 I395 V396 S401 A402 F403 I409 | F345-F399 HydrophobicContact CB-CE2 4.27Å; F345-F399 AromaticContact CD2-CE2 3.81Å; F345-F399 HydrophobicContact CD2-CE2 3.81Å; F345-F399 HydrophobicContact CD2-CZ 4.14Å; F345-F399 HydrophobicContact CG-CE2 4.3Å; F353-F399 HydrophobicContact CE2-CB 3.89Å; F353-F399 HydrophobicContact CE2-CD2 4Å; F353-F399 HydrophobicContact CE2-CG 4.47Å; F353-F399 VanDerWaalsContact CZ-CA 3.47Å; F353-F399 HydrophobicContact CZ-CB 3.7Å; F353-F399 AromaticContact CZ-CD2 3.92Å; F353-F399 HydrophobicContact CZ-CD2 3.92Å; F353-F399 HydrophobicContact CZ-CG 4.31Å; L355-F399 HydrophobicContact CD1-CD2 4.37Å; L355-F399 HydrophobicContact CD2-CD2 4.05Å; L355-F399 HydrophobicContact CD2-CE2 4.03Å; P378-F399 HydrophobicContact CB-CE1 3.75Å; P378-F399 HydrophobicContact CB-CZ 3.75Å; P378-F399 HydrophobicContact CG-CE1 4.45Å; I380-F399 HydrophobicContact CB-CD1 3.88Å; I380-F399 HydrophobicContact CB-CD2 4.2Å; I380-F399 HydrophobicContact CB-CE1 3.64Å; I380-F399 HydrophobicContact CB-CE2 3.98Å; I380-F399 HydrophobicContact CB-CG 4.16Å; I380-F399 HydrophobicContact CB-CZ 3.7Å; I380-F399 HydrophobicContact CD1-CB 3.76Å; I380-F399 HydrophobicContact CD1-CD1 4.07Å; I380-F399 HydrophobicContact CD1-CD2 3.94Å; I380-F399 HydrophobicContact CD1-CG 3.67Å; I380-F399 HydrophobicContact CG1-CD2 4.31Å; I380-F399 HydrophobicContact CG1-CE2 4.45Å; I380-F399 HydrophobicContact CG1-CG 4.35Å; I380-F399 HydrophobicContact CG2-CD1 3.92Å; I380-F399 HydrophobicContact CG2-CE1 3.79Å; I380-F399 HydrophobicContact CG2-CZ 4.35Å; I395-F399 WeakPolarHBondContact O-CB 3.43Å; I395-F399 PolarHBondContact O-N 2.88Å; V396-F399 PolarHBondContact O-N 3.37Å; F399-S401 PolarHBondContact O-N 3.31Å; F399-A402 WeakPolarHBondContact O-CB 3.36Å; F399-A402 PolarHBondContact O-N 3.14Å; F399-F403 HydrophobicContact CD1-CD2 4.47Å; F399-F403 HydrophobicContact CD1-CE2 4.45Å; F399-F403 HydrophobicContact CD2-CE2 4.07Å; F399-F403 HydrophobicContact CE1-CD2 4.2Å; F399-F403 AromaticContact CE1-CE2 3.98Å; F399-F403 HydrophobicContact CE1-CE2 3.98Å; F399-F403 HydrophobicContact CE2-CD2 4.44Å; F399-F403 AromaticContact CE2-CE2 3.56Å; F399-F403 HydrophobicContact CE2-CE2 3.56Å; F399-F403 HydrophobicContact CE2-CZ 4.3Å; F399-F403 HydrophobicContact CG-CE2 4.49Å; F399-F403 HydrophobicContact CZ-CD2 4.18Å; F399-F403 AromaticContact CZ-CE2 3.5Å; F399-F403 HydrophobicContact CZ-CE2 3.5Å; F399-F403 HydrophobicContact CZ-CZ 4.18Å; F399-F403 WeakPolarHBondContact O-CD2 3.36Å; F399-I409 HydrophobicContact CD1-CD1 4.47Å; F399-I409 HydrophobicContact CE1-CD1 4.35Å |
| 400 | C | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -27.8 | 176.9 | -70.3 | 0 | 0 | 0 | 0 | 113.4 | V396 F403 L429 Y433 | V396-C400 WeakPolarHBondContact O-CB 3.16Å; V396-C400 PolarHBondContact O-N 3.11Å; V396-C400 PolarHBondContact O-SG 3.05Å; C400-F403 VanDerWaalsContact O-O 3.1Å; C400-L429 VanDerWaalsContact SG-CD1 3.54Å; C400-Y433 PolarHBondContact SG-OH 2.96Å |
| 401 | S | 92.2 | Very high | 93.3 | Very high | 90 Ų | 90 | 36.3 Ų | 36.3 | 63% | 0.629 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -80.8 | -23.4 | 176.9 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | S397 Q398 F399 F403 | S397-S401 WeakPolarHBondContact O-CB 3.49Å; S397-S401 PolarHBondContact O-N 3.3Å; S397-S401 VanDerWaalsContact O-N 3.08Å; Q398-S401 PolarHBondContact O-N 3.38Å; Q398-S401 PolarHBondContact O-OG 2.87Å; F399-S401 PolarHBondContact O-N 3.31Å; S401-F403 VanDerWaalsContact C-N 3.32Å |
| 402 | A | 92.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.4 | -24.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L355 Q398 F399 | L355-A402 HydrophobicContact CD1-CB 3.58Å; Q398-A402 PolarHBondContact O-N 3.33Å; Q398-A402 VanDerWaalsContact O-N 3.08Å; F399-A402 WeakPolarHBondContact O-CB 3.36Å; F399-A402 PolarHBondContact O-N 3.14Å |
| 403 | F | 90.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -95.4 | 137.4 | 170.8 | -65 | -90.5 | 0 | 0 | 0 | 109.4 | F345 L355 L362 P378 F399 C400 S401 V406 | F345-F403 HydrophobicContact CD2-CZ 4.45Å; F345-F403 AromaticContact CE2-CZ 3.79Å; F345-F403 HydrophobicContact CE2-CZ 3.79Å; F345-F403 HydrophobicContact CZ-CZ 4.47Å; L355-F403 HydrophobicContact CD1-CE2 3.74Å; L355-F403 HydrophobicContact CD1-CZ 4.19Å; L362-F403 HydrophobicContact CB-CE1 4.5Å; L362-F403 HydrophobicContact CD1-CD1 4.28Å; L362-F403 HydrophobicContact CD1-CE1 3.9Å; L362-F403 HydrophobicContact CD1-CE2 4.39Å; L362-F403 HydrophobicContact CD1-CZ 3.95Å; L362-F403 HydrophobicContact CD2-CE1 3.86Å; L362-F403 HydrophobicContact CD2-CZ 4.27Å; L362-F403 HydrophobicContact CG-CE1 4.31Å; P378-F403 HydrophobicContact CB-CD1 3.74Å; P378-F403 HydrophobicContact CB-CD2 3.69Å; P378-F403 HydrophobicContact CB-CE1 3.7Å; P378-F403 HydrophobicContact CB-CE2 3.68Å; P378-F403 HydrophobicContact CB-CG 3.74Å; P378-F403 HydrophobicContact CB-CZ 3.69Å; P378-F403 HydrophobicContact CG-CB 4.39Å; P378-F403 HydrophobicContact CG-CD1 4.19Å; P378-F403 HydrophobicContact CG-CD2 4.25Å; P378-F403 HydrophobicContact CG-CG 4.01Å; F399-F403 HydrophobicContact CD1-CD2 4.47Å; F399-F403 HydrophobicContact CD1-CE2 4.45Å; F399-F403 HydrophobicContact CD2-CE2 4.07Å; F399-F403 HydrophobicContact CE1-CD2 4.2Å; F399-F403 AromaticContact CE1-CE2 3.98Å; F399-F403 HydrophobicContact CE1-CE2 3.98Å; F399-F403 HydrophobicContact CE2-CD2 4.44Å; F399-F403 AromaticContact CE2-CE2 3.56Å; F399-F403 HydrophobicContact CE2-CE2 3.56Å; F399-F403 HydrophobicContact CE2-CZ 4.3Å; F399-F403 HydrophobicContact CG-CE2 4.49Å; F399-F403 HydrophobicContact CZ-CD2 4.18Å; F399-F403 AromaticContact CZ-CE2 3.5Å; F399-F403 HydrophobicContact CZ-CE2 3.5Å; F399-F403 HydrophobicContact CZ-CZ 4.18Å; F399-F403 WeakPolarHBondContact O-CD2 3.36Å; C400-F403 VanDerWaalsContact O-O 3.1Å; S401-F403 VanDerWaalsContact C-N 3.32Å; F403-V406 HydrophobicContact CB-CG1 4.48Å; F403-V406 HydrophobicContact CB-CG2 4.13Å |
| 404 | G | 80.8 | Confident | 93.1 | Very high | 45 Ų | 45 | 34.4 Ų | 34.4 | 46% | 0.464 | 21% | 0.209 | S | C | . | . | trans | -72.9 | -137.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V406 | G404-V406 VanDerWaalsContact C-N 3.28Å; G404-V406 PolarHBondContact O-N 2.88Å | ||
| 405 | E | 85.4 | Confident | 93.1 | Very high | 177 Ų | 177 | 32.2 Ų | 32.2 | 83% | 0.827 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -74.4 | 75.4 | -179.8 | -63.9 | -177 | 173.6 | 0 | 0 | 111.8 | ||
| 406 | V | 93.7 | Very high | 92.9 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | trans | -102.8 | 134.6 | 171.3 | -61 | 0 | 0 | 0 | 0 | 110.4 | P378 F403 G404 Y433 | P378-V406 HydrophobicContact CG-CG2 3.86Å; F403-V406 HydrophobicContact CB-CG1 4.48Å; F403-V406 HydrophobicContact CB-CG2 4.13Å; G404-V406 VanDerWaalsContact C-N 3.28Å; G404-V406 PolarHBondContact O-N 2.88Å; V406-Y433 HydrophobicContact CG2-CE1 3.96Å; V406-Y433 WeakPolarHBondContact O-CD1 3.38Å; V406-Y433 WeakPolarHBondContact O-CE1 3.3Å | ||
| 407 | N | 93.7 | Very high | 92.6 | Very high | 101 Ų | 101 | 35.2 Ų | 35.2 | 54% | 0.54 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -86.6 | -17.1 | -175.6 | -69.2 | -38.7 | 0 | 0 | 0 | 113.9 | S434 | N407-S434 PolarHBondContact O-N 3.3Å; N407-S434 PolarHBondContact O-OG 3.27Å; N407-S434 VanDerWaalsContact O-OG 3.12Å |
| 408 | C | 97.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154.5 | -176.8 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | Q375 V377 P378 C435 F437 | Q375-C408 VanDerWaalsContact CD-SG 3.52Å; Q375-C408 PolarHBondContact NE2-SG 3.02Å; V377-C408 HydrophobicContact CG1-CB 4.14Å; V377-C408 HydrophobicContact CG2-CB 3.89Å; P378-C408 WeakPolarHBondContact CD-O 3.49Å; C408-C435 VanDerWaalsContact CA-O 3.24Å; C408-C435 WeakPolarHBondContact CA-O 3.39Å; C408-C435 VanDerWaalsContact SG-CB 3.57Å; C408-F437 HydrophobicContact CB-CE2 4.24Å |
| 409 | I | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153 | 169.2 | -168.7 | 168.2 | 0 | 0 | 0 | 109.3 | P378 I380 F399 L429 Y433 C435 V436 F437 | P378-I409 HydrophobicContact CG-CG1 4.49Å; P378-I409 WeakPolarHBondContact O-CG1 3.47Å; I380-I409 HydrophobicContact CG2-CD1 4.39Å; F399-I409 HydrophobicContact CD1-CD1 4.47Å; F399-I409 HydrophobicContact CE1-CD1 4.35Å; I409-L429 HydrophobicContact CD1-CD1 4.31Å; I409-Y433 HydrophobicContact CB-CD1 4.23Å; I409-Y433 HydrophobicContact CB-CD2 3.86Å; I409-Y433 HydrophobicContact CB-CE1 4.22Å; I409-Y433 HydrophobicContact CB-CE2 3.83Å; I409-Y433 HydrophobicContact CB-CG 4.05Å; I409-Y433 HydrophobicContact CD1-CD2 4.5Å; I409-Y433 HydrophobicContact CD1-CE2 3.76Å; I409-Y433 HydrophobicContact CG1-CE2 4.39Å; I409-Y433 HydrophobicContact CG2-CD1 4.41Å; I409-Y433 HydrophobicContact CG2-CD2 3.35Å; I409-Y433 HydrophobicContact CG2-CE2 3.73Å; I409-Y433 HydrophobicContact CG2-CG 3.73Å; I409-C435 PolarHBondContact N-O 2.95Å; I409-V436 HydrophobicContact CG2-CB 4.38Å; I409-V436 HydrophobicContact CG2-CG1 4.07Å; I409-V436 HydrophobicContact CG2-CG2 4.03Å; I409-V436 CarbonylContact O-C 3.51Å; I409-V436 WeakPolarHBondContact O-CA 3.48Å; I409-F437 PolarHBondContact O-N 2.9Å |
| 410 | H | 98 | Very high | 91.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.2 | 168.9 | 172.2 | -121.8 | 0 | 0 | 0 | 111.1 | L342 V377 P378 S379 I380 F437 S439 | L342-H410 HydrophobicContact CD2-CB 3.94Å; L342-H410 HydrophobicContact CG-CB 4.38Å; V377-H410 HydrophobicContact CG1-CB 3.92Å; P378-H410 PolarHBondContact O-N 3.28Å; S379-H410 WeakPolarHBondContact CA-O 3.47Å; S379-H410 WeakPolarHBondContact CB-ND1 3.4Å; S379-H410 PolarHBondContact OG-ND1 3.21Å; I380-H410 PolarHBondContact N-O 2.94Å; H410-F437 CarbonylContact C-O 3.59Å; H410-F437 WeakPolarHBondContact CA-O 3.32Å; H410-F437 HydrophobicContact CB-CB 3.8Å; H410-F437 PolarHBondContact CD2-O 3.41Å; H410-S439 PolarHBondContact CE1-OG 2.97Å; H410-S439 PolarHBondContact NE2-OG 2.8Å |
| 411 | I | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.6 | -179.9 | -62.2 | 174.4 | 0 | 0 | 0 | 107.4 | L415 L419 L429 L430 V436 F437 W438 S439 | I411-L415 HydrophobicContact CG2-CB 4.18Å; I411-L415 HydrophobicContact CG2-CD2 4.09Å; I411-L415 HydrophobicContact CG2-CG 3.98Å; I411-L419 HydrophobicContact CD1-CD1 3.68Å; I411-L419 HydrophobicContact CG1-CD1 4.38Å; I411-L419 HydrophobicContact CG2-CD1 3.79Å; I411-L429 HydrophobicContact CD1-CD2 4.11Å; I411-L430 HydrophobicContact CD1-CD2 4Å; I411-V436 HydrophobicContact CD1-CG1 3.45Å; I411-V436 VanDerWaalsContact CD1-CG1 3.45Å; I411-V436 HydrophobicContact CG1-CG1 4.06Å; I411-F437 PolarHBondContact N-O 3.31Å; I411-W438 HydrophobicContact CB-CE3 4.33Å; I411-W438 HydrophobicContact CD1-CE3 3.77Å; I411-W438 HydrophobicContact CD1-CZ3 3.7Å; I411-W438 HydrophobicContact CG2-CE3 4.35Å; I411-W438 HydrophobicContact CG2-CZ3 4.39Å; I411-S439 PolarHBondContact O-N 3.22Å |
| 412 | G | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -70.2 | 167 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I380 T414 G416 | I380-G412 PolarHBondContact O-N 2.85Å; G412-T414 PolarHBondContact O-N 3.21Å; G412-G416 PolarHBondContact O-N 3.25Å | ||
| 413 | P | 90.8 | Very high | 91.3 | Very high | 38 Ų | 38 | 38 Ų | 38 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.7 | -48.1 | -173.2 | 21.2 | -34.7 | 0 | 0 | 0 | 114 | D381 G416 Q417 A441 | D381-P413 WeakPolarHBondContact OD2-CD 3.42Å; P413-G416 PolarHBondContact O-N 3.47Å; P413-Q417 PolarHBondContact O-N 2.92Å; P413-Q417 VanDerWaalsContact O-N 3.08Å; P413-A441 HydrophobicContact CB-CB 3.38Å; P413-A441 WeakPolarHBondContact O-CB 3.4Å |
| 414 | T | 91.5 | Very high | 91.4 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.4 | -45.5 | -174.7 | -51.9 | 0 | 0 | 0 | 0 | 111 | D381 L382 C384 P385 G412 G416 Q417 C418 | D381-T414 WeakPolarHBondContact OD1-CB 3.24Å; D381-T414 PolarHBondContact OD1-N 3.05Å; D381-T414 VanDerWaalsContact OD1-N 3.08Å; L382-T414 HydrophobicContact CB-CG2 4.12Å; L382-T414 WeakPolarHBondContact O-CB 3.37Å; L382-T414 VanDerWaalsContact O-CG2 3.31Å; L382-T414 WeakPolarHBondContact O-CG2 3.25Å; L382-T414 PolarHBondContact O-OG1 3.28Å; C384-T414 WeakPolarHBondContact O-CG2 3.35Å; P385-T414 HydrophobicContact CB-CG2 3.99Å; P385-T414 VanDerWaalsContact N-CG2 3.26Å; G412-T414 PolarHBondContact O-N 3.21Å; T414-G416 VanDerWaalsContact C-N 3.33Å; T414-G416 PolarHBondContact O-N 2.87Å; T414-Q417 PolarHBondContact O-N 3.33Å; T414-C418 PolarHBondContact O-N 3.29Å |
| 415 | L | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 173.6 | 179.5 | 60.3 | 0 | 0 | 0 | 110.8 | I380 D381 L382 V396 I411 Q417 C418 L419 | I380-L415 HydrophobicContact CB-CD2 4.41Å; I380-L415 HydrophobicContact CG1-CD2 4.22Å; I380-L415 HydrophobicContact CG2-CD2 3.63Å; D381-L415 PolarHBondContact OD1-N 2.81Å; L382-L415 HydrophobicContact CD1-CB 4.25Å; L382-L415 HydrophobicContact CD1-CD1 3.57Å; L382-L415 HydrophobicContact CD1-CG 4.49Å; L382-L415 HydrophobicContact CG-CB 4.08Å; L382-L415 HydrophobicContact CG-CD1 4.01Å; V396-L415 HydrophobicContact CG2-CD1 4.06Å; V396-L415 HydrophobicContact CG2-CD2 4.26Å; I411-L415 HydrophobicContact CG2-CB 4.18Å; I411-L415 HydrophobicContact CG2-CD2 4.09Å; I411-L415 HydrophobicContact CG2-CG 3.98Å; L415-Q417 VanDerWaalsContact C-N 3.3Å; L415-Q417 PolarHBondContact O-N 3.11Å; L415-C418 WeakPolarHBondContact O-CA 3.4Å; L415-C418 WeakPolarHBondContact O-CB 3.21Å; L415-C418 PolarHBondContact O-N 3.34Å; L415-L419 HydrophobicContact CD1-CD1 4.32Å; L415-L419 HydrophobicContact CD1-CD2 4.02Å; L415-L419 HydrophobicContact CD1-CG 3.95Å; L415-L419 HydrophobicContact CD2-CD1 4.43Å; L415-L419 HydrophobicContact CG-CD1 3.94Å; L415-L419 HydrophobicContact CG-CG 4.01Å; L415-L419 VanDerWaalsContact O-CG 3.31Å; L415-L419 WeakPolarHBondContact O-CG 3.5Å; L415-L419 PolarHBondContact O-N 2.88Å |
| 416 | G | 91.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.2 | -46 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G412 P413 T414 C418 L419 L420 W438 | G412-G416 PolarHBondContact O-N 3.25Å; P413-G416 PolarHBondContact O-N 3.47Å; T414-G416 VanDerWaalsContact C-N 3.33Å; T414-G416 PolarHBondContact O-N 2.87Å; G416-C418 VanDerWaalsContact C-N 3.34Å; G416-C418 PolarHBondContact O-N 2.77Å; G416-L419 PolarHBondContact O-N 2.77Å; G416-L420 WeakPolarHBondContact O-CB 3.46Å; G416-L420 WeakPolarHBondContact O-CG 3.18Å; G416-L420 PolarHBondContact O-N 3.29Å; G416-W438 WeakPolarHBondContact O-CZ2 3.34Å |
| 417 | Q | 88.2 | Confident | 92.2 | Very high | 63 Ų | 63 | 37.3 Ų | 37.3 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.7 | -69.7 | -176.3 | -11.2 | 0 | 0 | 112.9 | P413 T414 L415 R421 A441 | P413-Q417 PolarHBondContact O-N 2.92Å; P413-Q417 VanDerWaalsContact O-N 3.08Å; T414-Q417 PolarHBondContact O-N 3.33Å; L415-Q417 VanDerWaalsContact C-N 3.3Å; L415-Q417 PolarHBondContact O-N 3.11Å; Q417-R421 WeakPolarHBondContact O-CG 3.49Å; Q417-R421 PolarHBondContact O-N 3.13Å; Q417-A441 HydrophobicContact CG-CB 3.64Å |
| 418 | C | 88.8 | Confident | 92.2 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.034 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 177 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | T414 L415 G416 R421 N422 | T414-C418 PolarHBondContact O-N 3.29Å; L415-C418 WeakPolarHBondContact O-CA 3.4Å; L415-C418 WeakPolarHBondContact O-CB 3.21Å; L415-C418 PolarHBondContact O-N 3.34Å; G416-C418 VanDerWaalsContact C-N 3.34Å; G416-C418 PolarHBondContact O-N 2.77Å; C418-R421 PolarHBondContact O-N 3.39Å; C418-N422 PolarHBondContact O-N 3Å; C418-N422 PolarHBondContact O-ND2 3.4Å; C418-N422 VanDerWaalsContact O-ND2 3.1Å |
| 419 | L | 91.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | 179 | -62 | -176.6 | 0 | 0 | 0 | 112.1 | I411 L415 G416 R421 N422 L423 F426 L429 W438 | I411-L419 HydrophobicContact CD1-CD1 3.68Å; I411-L419 HydrophobicContact CG1-CD1 4.38Å; I411-L419 HydrophobicContact CG2-CD1 3.79Å; L415-L419 HydrophobicContact CD1-CD1 4.32Å; L415-L419 HydrophobicContact CD1-CD2 4.02Å; L415-L419 HydrophobicContact CD1-CG 3.95Å; L415-L419 HydrophobicContact CD2-CD1 4.43Å; L415-L419 HydrophobicContact CG-CD1 3.94Å; L415-L419 HydrophobicContact CG-CG 4.01Å; L415-L419 VanDerWaalsContact O-CG 3.31Å; L415-L419 WeakPolarHBondContact O-CG 3.5Å; L415-L419 PolarHBondContact O-N 2.88Å; G416-L419 PolarHBondContact O-N 2.77Å; L419-R421 VanDerWaalsContact C-N 3.28Å; L419-R421 PolarHBondContact O-N 2.87Å; L419-N422 CarbonylContact O-C 3.48Å; L419-N422 PolarHBondContact O-N 3.31Å; L419-L423 WeakPolarHBondContact O-CA 3.28Å; L419-L423 PolarHBondContact O-N 3.46Å; L419-F426 HydrophobicContact CD2-CB 3.87Å; L419-F426 HydrophobicContact CD2-CD1 3.32Å; L419-F426 HydrophobicContact CD2-CD2 3.38Å; L419-F426 HydrophobicContact CD2-CE1 3.53Å; L419-F426 HydrophobicContact CD2-CE2 3.61Å; L419-F426 HydrophobicContact CD2-CG 3.24Å; L419-F426 HydrophobicContact CD2-CZ 3.68Å; L419-F426 HydrophobicContact CG-CG 4.47Å; L419-L429 HydrophobicContact CD1-CD2 3.88Å; L419-W438 HydrophobicContact CB-CH2 3.77Å; L419-W438 HydrophobicContact CD1-CH2 4.17Å; L419-W438 HydrophobicContact CD1-CZ3 4.28Å |
| 420 | L | 88.6 | Confident | 91.9 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -38.2 | 177.1 | -82.8 | 163.3 | 0 | 0 | 0 | 112.3 | G416 N422 L423 W438 A453 L457 | G416-L420 WeakPolarHBondContact O-CB 3.46Å; G416-L420 WeakPolarHBondContact O-CG 3.18Å; G416-L420 PolarHBondContact O-N 3.29Å; L420-N422 PolarHBondContact O-N 3.5Å; L420-L423 HydrophobicContact CD2-CD1 4.2Å; L420-L423 HydrophobicContact CD2-CD2 4.41Å; L420-W438 HydrophobicContact CD1-CZ2 3.78Å; L420-W438 HydrophobicContact CD2-CZ2 4.28Å; L420-W438 HydrophobicContact CG-CH2 4.11Å; L420-W438 HydrophobicContact CG-CZ2 3.58Å; L420-A453 WeakPolarHBondContact CD2-O 3.47Å; L420-L457 HydrophobicContact CD2-CD2 3.86Å; L420-L457 HydrophobicContact CD2-CG 4.23Å |
| 421 | R | 87.2 | Confident | 91.8 | Very high | 178 Ų | 178 | 41.3 Ų | 41.3 | 67% | 0.672 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.2 | -22.7 | 175.4 | -68 | 174.8 | -177.1 | -179.8 | 2 | 113 | Q417 C418 L419 | Q417-R421 WeakPolarHBondContact O-CG 3.49Å; Q417-R421 PolarHBondContact O-N 3.13Å; C418-R421 PolarHBondContact O-N 3.39Å; L419-R421 VanDerWaalsContact C-N 3.28Å; L419-R421 PolarHBondContact O-N 2.87Å |
| 422 | N | 90 | Very high | 91.7 | Very high | 45 Ų | 45 | 48 Ų | 48 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | 34.2 | -171.4 | -62.8 | -75.8 | 0 | 0 | 0 | 112.8 | C418 L419 L420 S424 T425 F426 | C418-N422 PolarHBondContact O-N 3Å; C418-N422 PolarHBondContact O-ND2 3.4Å; C418-N422 VanDerWaalsContact O-ND2 3.1Å; L419-N422 CarbonylContact O-C 3.48Å; L419-N422 PolarHBondContact O-N 3.31Å; L420-N422 PolarHBondContact O-N 3.5Å; N422-S424 PolarHBondContact O-N 3.44Å; N422-S424 VanDerWaalsContact O-N 3.09Å; N422-T425 WeakPolarHBondContact O-CB 3.23Å; N422-T425 PolarHBondContact O-N 3.28Å; N422-F426 HydrophobicContact CB-CD2 3.91Å; N422-F426 HydrophobicContact CB-CE2 3.9Å; N422-F426 WeakPolarHBondContact O-CD2 3.24Å; N422-F426 PolarHBondContact O-N 2.82Å |
| 423 | L | 90.1 | Very high | 91.7 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.3 | -35.4 | -171.5 | -77.5 | 172 | 0 | 0 | 0 | 114 | L419 L420 T425 F426 S427 L430 V456 L457 | L419-L423 WeakPolarHBondContact O-CA 3.28Å; L419-L423 PolarHBondContact O-N 3.46Å; L420-L423 HydrophobicContact CD2-CD1 4.2Å; L420-L423 HydrophobicContact CD2-CD2 4.41Å; L423-T425 VanDerWaalsContact C-N 3.28Å; L423-T425 PolarHBondContact O-N 2.83Å; L423-F426 CarbonylContact O-C 3.19Å; L423-F426 PolarHBondContact O-N 2.76Å; L423-S427 PolarHBondContact O-N 3.06Å; L423-L430 HydrophobicContact CD2-CD1 4.11Å; L423-V456 HydrophobicContact CD1-CB 4.34Å; L423-V456 HydrophobicContact CD1-CG1 3.7Å; L423-L457 HydrophobicContact CD2-CD2 4.13Å |
| 424 | S | 91.1 | Very high | 91.9 | Very high | 100 Ų | 100 | 50.7 Ų | 50.7 | 70% | 0.699 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.2 | -43.1 | 176.9 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | N422 S427 | N422-S424 PolarHBondContact O-N 3.44Å; N422-S424 VanDerWaalsContact O-N 3.09Å; S424-S427 PolarHBondContact O-OG 3.32Å |
| 425 | T | 92.1 | Very high | 92.2 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 37% | 0.368 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.9 | -33.7 | -178.5 | -51 | 0 | 0 | 0 | 0 | 111.7 | V389 N422 L423 W428 | V389-T425 HydrophobicContact CG1-CG2 3.97Å; N422-T425 WeakPolarHBondContact O-CB 3.23Å; N422-T425 PolarHBondContact O-N 3.28Å; L423-T425 VanDerWaalsContact C-N 3.28Å; L423-T425 PolarHBondContact O-N 2.83Å; T425-W428 PolarHBondContact O-NE1 2.81Å; T425-W428 VanDerWaalsContact O-NE1 3.14Å |
| 426 | F | 92.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -101 | 8.9 | -177.6 | -66.2 | -80.4 | 0 | 0 | 0 | 114.3 | V389 C392 C393 L419 N422 L423 W428 L429 L430 | V389-F426 HydrophobicContact CG1-CE2 4.27Å; C392-F426 HydrophobicContact CB-CZ 4.03Å; C393-F426 HydrophobicContact CB-CE1 4.44Å; C393-F426 VanDerWaalsContact SG-CE1 3.51Å; C393-F426 WeakPolarHBondContact SG-CZ 3.29Å; L419-F426 HydrophobicContact CD2-CB 3.87Å; L419-F426 HydrophobicContact CD2-CD1 3.32Å; L419-F426 HydrophobicContact CD2-CD2 3.38Å; L419-F426 HydrophobicContact CD2-CE1 3.53Å; L419-F426 HydrophobicContact CD2-CE2 3.61Å; L419-F426 HydrophobicContact CD2-CG 3.24Å; L419-F426 HydrophobicContact CD2-CZ 3.68Å; L419-F426 HydrophobicContact CG-CG 4.47Å; N422-F426 HydrophobicContact CB-CD2 3.91Å; N422-F426 HydrophobicContact CB-CE2 3.9Å; N422-F426 WeakPolarHBondContact O-CD2 3.24Å; N422-F426 PolarHBondContact O-N 2.82Å; L423-F426 CarbonylContact O-C 3.19Å; L423-F426 PolarHBondContact O-N 2.76Å; F426-W428 PolarHBondContact O-N 2.98Å; F426-W428 VanDerWaalsContact O-N 3.15Å; F426-L429 VanDerWaalsContact O-CB 3.29Å; F426-L429 WeakPolarHBondContact O-CB 3.48Å; F426-L429 PolarHBondContact O-N 3.3Å; F426-L430 PolarHBondContact O-N 3.5Å |
| 427 | S | 92.4 | Very high | 92.7 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -53.4 | -36 | 176.6 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | L423 S424 L429 L430 A431 | L423-S427 PolarHBondContact O-N 3.06Å; S424-S427 PolarHBondContact O-OG 3.32Å; S427-L429 VanDerWaalsContact C-N 3.31Å; S427-L429 PolarHBondContact O-N 3.16Å; S427-L430 PolarHBondContact O-N 2.96Å; S427-A431 WeakPolarHBondContact O-CB 3.34Å; S427-A431 PolarHBondContact O-N 3.15Å |
| 428 | W | 94.4 | Very high | 93 | Very high | 98 Ų | 98 | 47.3 Ų | 47.3 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.6 | -35.7 | 175.3 | 68.9 | -94.8 | 0 | 0 | 0 | 113 | V396 T425 F426 R432 | V396-W428 HydrophobicContact CG1-CH2 4.05Å; V396-W428 HydrophobicContact CG1-CZ2 4.36Å; T425-W428 PolarHBondContact O-NE1 2.81Å; T425-W428 VanDerWaalsContact O-NE1 3.14Å; F426-W428 PolarHBondContact O-N 2.98Å; F426-W428 VanDerWaalsContact O-N 3.15Å; W428-R432 WeakPolarHBondContact O-CB 3.5Å; W428-R432 PolarHBondContact O-N 2.84Å |
| 429 | L | 94.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.8 | -47.4 | 179.9 | 178.4 | 70.2 | 0 | 0 | 0 | 109.7 | V396 C400 I409 I411 L419 F426 S427 A431 R432 Y433 | V396-L429 HydrophobicContact CG1-CD1 3.6Å; V396-L429 HydrophobicContact CG1-CD2 3.78Å; V396-L429 HydrophobicContact CG1-CG 4.25Å; C400-L429 VanDerWaalsContact SG-CD1 3.54Å; I409-L429 HydrophobicContact CD1-CD1 4.31Å; I411-L429 HydrophobicContact CD1-CD2 4.11Å; L419-L429 HydrophobicContact CD1-CD2 3.88Å; F426-L429 VanDerWaalsContact O-CB 3.29Å; F426-L429 WeakPolarHBondContact O-CB 3.48Å; F426-L429 PolarHBondContact O-N 3.3Å; S427-L429 VanDerWaalsContact C-N 3.31Å; S427-L429 PolarHBondContact O-N 3.16Å; L429-A431 VanDerWaalsContact C-N 3.3Å; L429-A431 PolarHBondContact O-N 3.39Å; L429-R432 WeakPolarHBondContact O-CB 3.41Å; L429-R432 PolarHBondContact O-N 3.23Å; L429-Y433 HydrophobicContact CD1-CE2 3.95Å; L429-Y433 WeakPolarHBondContact O-CD2 3.47Å |
| 430 | L | 93.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.5 | -30 | -179.1 | -53 | -177.1 | 0 | 0 | 0 | 112.2 | I411 L423 F426 S427 V436 W438 P458 N460 | I411-L430 HydrophobicContact CD1-CD2 4Å; L423-L430 HydrophobicContact CD2-CD1 4.11Å; F426-L430 PolarHBondContact O-N 3.5Å; S427-L430 PolarHBondContact O-N 2.96Å; L430-V436 HydrophobicContact CD2-CG1 4.01Å; L430-V436 HydrophobicContact CD2-CG2 4.3Å; L430-W438 HydrophobicContact CD2-CZ3 3.97Å; L430-P458 HydrophobicContact CB-CG 4.42Å; L430-P458 HydrophobicContact CD1-CG 4.15Å; L430-N460 PolarHBondContact O-ND2 3.18Å |
| 431 | A | 94.3 | Very high | 91.7 | Very high | 84 Ų | 84 | 48 Ų | 48 | 69% | 0.694 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -78.8 | -22.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S427 L429 Y433 | S427-A431 WeakPolarHBondContact O-CB 3.34Å; S427-A431 PolarHBondContact O-N 3.15Å; L429-A431 VanDerWaalsContact C-N 3.3Å; L429-A431 PolarHBondContact O-N 3.39Å; A431-Y433 VanDerWaalsContact C-N 3.35Å |
| 432 | R | 94.3 | Very high | 90.3 | Very high | 140 Ų | 140 | 41.3 Ų | 41.3 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68 | -32.3 | -178.7 | 179 | 178.3 | 176.2 | 105.9 | -1.6 | 113 | W428 L429 | W428-R432 WeakPolarHBondContact O-CB 3.5Å; W428-R432 PolarHBondContact O-N 2.84Å; L429-R432 WeakPolarHBondContact O-CB 3.41Å; L429-R432 PolarHBondContact O-N 3.23Å |
| 433 | Y | 95.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | trans | -110.3 | 142.2 | -171.5 | -63 | -76.4 | 0 | 0 | 0 | 112 | C400 V406 I409 L429 A431 C435 N460 | C400-Y433 PolarHBondContact SG-OH 2.96Å; V406-Y433 HydrophobicContact CG2-CE1 3.96Å; V406-Y433 WeakPolarHBondContact O-CD1 3.38Å; V406-Y433 WeakPolarHBondContact O-CE1 3.3Å; I409-Y433 HydrophobicContact CB-CD1 4.23Å; I409-Y433 HydrophobicContact CB-CD2 3.86Å; I409-Y433 HydrophobicContact CB-CE1 4.22Å; I409-Y433 HydrophobicContact CB-CE2 3.83Å; I409-Y433 HydrophobicContact CB-CG 4.05Å; I409-Y433 HydrophobicContact CD1-CD2 4.5Å; I409-Y433 HydrophobicContact CD1-CE2 3.76Å; I409-Y433 HydrophobicContact CG1-CE2 4.39Å; I409-Y433 HydrophobicContact CG2-CD1 4.41Å; I409-Y433 HydrophobicContact CG2-CD2 3.35Å; I409-Y433 HydrophobicContact CG2-CE2 3.73Å; I409-Y433 HydrophobicContact CG2-CG 3.73Å; L429-Y433 HydrophobicContact CD1-CE2 3.95Å; L429-Y433 WeakPolarHBondContact O-CD2 3.47Å; A431-Y433 VanDerWaalsContact C-N 3.35Å; Y433-C435 VanDerWaalsContact C-N 3.26Å; Y433-C435 PolarHBondContact O-N 2.88Å; Y433-N460 PolarHBondContact O-ND2 2.92Å | ||
| 434 | S | 95.4 | Very high | 87.1 | Confident | 86 Ų | 86 | 47.2 Ų | 47.2 | 60% | 0.601 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -73.4 | -21.9 | 178.4 | 65.7 | 0 | 0 | 0 | 0 | 112.8 | N407 N460 | N407-S434 PolarHBondContact O-N 3.3Å; N407-S434 PolarHBondContact O-OG 3.27Å; N407-S434 VanDerWaalsContact O-OG 3.12Å; S434-N460 WeakPolarHBondContact O-CB 3.15Å |
| 435 | C | 96.9 | Very high | 85.8 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 133.1 | 171.5 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | C408 I409 Y433 N460 | C408-C435 VanDerWaalsContact CA-O 3.24Å; C408-C435 WeakPolarHBondContact CA-O 3.39Å; C408-C435 VanDerWaalsContact SG-CB 3.57Å; I409-C435 PolarHBondContact N-O 2.95Å; Y433-C435 VanDerWaalsContact C-N 3.26Å; Y433-C435 PolarHBondContact O-N 2.88Å; C435-N460 WeakPolarHBondContact CA-O 3.31Å |
| 436 | V | 97.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 106.3 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | I409 I411 L430 W438 N460 C461 V462 | I409-V436 HydrophobicContact CG2-CB 4.38Å; I409-V436 HydrophobicContact CG2-CG1 4.07Å; I409-V436 HydrophobicContact CG2-CG2 4.03Å; I409-V436 CarbonylContact O-C 3.51Å; I409-V436 WeakPolarHBondContact O-CA 3.48Å; I411-V436 HydrophobicContact CD1-CG1 3.45Å; I411-V436 VanDerWaalsContact CD1-CG1 3.45Å; I411-V436 HydrophobicContact CG1-CG1 4.06Å; L430-V436 HydrophobicContact CD2-CG1 4.01Å; L430-V436 HydrophobicContact CD2-CG2 4.3Å; V436-W438 HydrophobicContact CG1-CE3 4.31Å; V436-N460 PolarHBondContact N-O 3.01Å; V436-C461 CarbonylContact O-C 3.5Å; V436-C461 VanDerWaalsContact O-CA 3.24Å; V436-C461 WeakPolarHBondContact O-CA 3.29Å; V436-V462 PolarHBondContact O-N 3.34Å |
| 437 | F | 97.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 135.5 | 169.8 | -66.7 | -87.1 | 0 | 0 | 0 | 109.2 | I308 H340 V377 C408 I409 H410 I411 V462 I464 | I308-F437 HydrophobicContact CD1-CE1 3.81Å; I308-F437 HydrophobicContact CD1-CZ 4Å; I308-F437 HydrophobicContact CG2-CE1 4.08Å; I308-F437 HydrophobicContact CG2-CZ 4.26Å; H340-F437 AromaticContact CD2-CZ 3.77Å; V377-F437 HydrophobicContact CG1-CD2 3.81Å; V377-F437 HydrophobicContact CG1-CE2 4.17Å; V377-F437 HydrophobicContact CG2-CD2 4.49Å; V377-F437 HydrophobicContact CG2-CE2 4.02Å; C408-F437 HydrophobicContact CB-CE2 4.24Å; I409-F437 PolarHBondContact O-N 2.9Å; H410-F437 CarbonylContact C-O 3.59Å; H410-F437 WeakPolarHBondContact CA-O 3.32Å; H410-F437 HydrophobicContact CB-CB 3.8Å; H410-F437 PolarHBondContact CD2-O 3.41Å; I411-F437 PolarHBondContact N-O 3.31Å; F437-V462 CarbonylContact C-O 3.6Å; F437-V462 WeakPolarHBondContact CA-O 3.43Å; F437-V462 HydrophobicContact CD1-CB 4.21Å; F437-V462 HydrophobicContact CD1-CG1 4.28Å; F437-V462 HydrophobicContact CE1-CG1 4.38Å; F437-I464 HydrophobicContact CB-CD1 3.87Å; F437-I464 HydrophobicContact CB-CG1 4.34Å; F437-I464 HydrophobicContact CD1-CD1 3.94Å; F437-I464 HydrophobicContact CD1-CG1 4.17Å; F437-I464 HydrophobicContact CG-CD1 4.28Å |
| 438 | W | 94.7 | Very high | 81.5 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 104.4 | -172.8 | -169.2 | -69 | 0 | 0 | 0 | 110.4 | I411 G416 L419 L420 L430 V436 L457 V462 L463 I464 | I411-W438 HydrophobicContact CB-CE3 4.33Å; I411-W438 HydrophobicContact CD1-CE3 3.77Å; I411-W438 HydrophobicContact CD1-CZ3 3.7Å; I411-W438 HydrophobicContact CG2-CE3 4.35Å; I411-W438 HydrophobicContact CG2-CZ3 4.39Å; G416-W438 WeakPolarHBondContact O-CZ2 3.34Å; L419-W438 HydrophobicContact CB-CH2 3.77Å; L419-W438 HydrophobicContact CD1-CH2 4.17Å; L419-W438 HydrophobicContact CD1-CZ3 4.28Å; L420-W438 HydrophobicContact CD1-CZ2 3.78Å; L420-W438 HydrophobicContact CD2-CZ2 4.28Å; L420-W438 HydrophobicContact CG-CH2 4.11Å; L420-W438 HydrophobicContact CG-CZ2 3.58Å; L430-W438 HydrophobicContact CD2-CZ3 3.97Å; V436-W438 HydrophobicContact CG1-CE3 4.31Å; W438-L457 HydrophobicContact CD2-CD1 3.97Å; W438-L457 HydrophobicContact CE3-CD1 4.33Å; W438-L457 HydrophobicContact CE3-CD2 4.21Å; W438-L457 HydrophobicContact CG-CD1 4.18Å; W438-L457 HydrophobicContact CH2-CD2 4.02Å; W438-L457 HydrophobicContact CZ2-CD2 4.37Å; W438-L457 HydrophobicContact CZ3-CD2 3.94Å; W438-V462 PolarHBondContact N-O 2.92Å; W438-L463 HydrophobicContact CB-CD2 4.26Å; W438-L463 HydrophobicContact CG-CD2 4.43Å; W438-L463 CarbonylContact O-C 3.3Å; W438-L463 WeakPolarHBondContact O-CA 3.19Å; W438-I464 PolarHBondContact O-N 2.84Å |
| 439 | S | 92.3 | Very high | 80.3 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.3 | 172.4 | -74.3 | 0 | 0 | 0 | 0 | 110.3 | H410 I411 | H410-S439 PolarHBondContact CE1-OG 2.97Å; H410-S439 PolarHBondContact NE2-OG 2.8Å; I411-S439 PolarHBondContact O-N 3.22Å |
| 440 | V | 83.3 | Confident | 79 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -79.3 | 141.8 | 177 | 178.5 | 0 | 0 | 0 | 0 | 110 | M449 L463 I464 L465 | V440-M449 HydrophobicContact CB-SD 4.41Å; V440-M449 HydrophobicContact CG1-CB 4.22Å; V440-M449 HydrophobicContact CG1-CG 3.91Å; V440-M449 HydrophobicContact CG1-SD 3.56Å; V440-M449 VanDerWaalsContact CG1-SD 3.56Å; V440-M449 HydrophobicContact CG2-SD 3.92Å; V440-L463 HydrophobicContact CG2-CD2 4.37Å; V440-I464 PolarHBondContact N-O 2.94Å; V440-L465 HydrophobicContact CB-CD2 3.97Å; V440-L465 HydrophobicContact CG2-CD2 3.57Å | ||
| 441 | A | 66.6 | Low | 77.8 | Confident | 25 Ų | 25 | 46.9 Ų | 46.9 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | trans | -114.6 | 139.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P413 Q417 | P413-A441 HydrophobicContact CB-CB 3.38Å; P413-A441 WeakPolarHBondContact O-CB 3.4Å; Q417-A441 HydrophobicContact CG-CB 3.64Å | ||
| 442 | G | 58 | Low | 76.8 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 158.1 | 145.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G444 G445 | G442-G444 PolarHBondContact O-N 2.73Å; G442-G445 PolarHBondContact O-N 2.86Å |
| 443 | D | 54 | Low | 75.9 | Confident | 176 Ų | 176 | 41.2 Ų | 41.2 | 94% | 0.941 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 104.1 | 163 | -93 | -20.8 | 0 | 0 | 0 | 107.9 | ||
| 444 | G | 57.3 | Low | 75 | Confident | 31 Ų | 31 | 41 Ų | 41 | 32% | 0.32 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.6 | 2.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G442 I446 L447 | G442-G444 PolarHBondContact O-N 2.73Å; G444-I446 PolarHBondContact O-N 2.92Å; G444-L447 WeakPolarHBondContact O-CB 3.27Å; G444-L447 PolarHBondContact O-N 3.27Å; G444-L447 VanDerWaalsContact O-N 3.13Å |
| 445 | G | 65.4 | Low | 74.4 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | 65.3 | -132.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G442 L447 G448 M449 E469 | G442-G445 PolarHBondContact O-N 2.86Å; G445-L447 PolarHBondContact O-N 3.16Å; G445-L447 VanDerWaalsContact O-N 3.13Å; G445-G448 PolarHBondContact O-N 2.77Å; G445-M449 PolarHBondContact O-N 2.91Å; G445-E469 VanDerWaalsContact CA-CD 3.47Å; G445-E469 WeakPolarHBondContact CA-OE1 3.34Å; G445-E469 WeakPolarHBondContact CA-OE2 3.4Å; G445-E469 PolarHBondContact N-OE1 3.4Å |
| 446 | I | 64.2 | Low | 73.9 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -57.4 | -25.3 | 175.2 | -163.3 | 172.7 | 0 | 0 | 0 | 113.3 | G444 M449 L465 L470 A475 T478 L479 V482 | G444-I446 PolarHBondContact O-N 2.92Å; I446-M449 HydrophobicContact CG1-CE 4.37Å; I446-M449 WeakPolarHBondContact O-CB 3.21Å; I446-M449 PolarHBondContact O-N 2.83Å; I446-L465 HydrophobicContact CD1-CD1 4.08Å; I446-L470 HydrophobicContact CD1-CD2 4.41Å; I446-L470 HydrophobicContact CG2-CD2 4.02Å; I446-A475 HydrophobicContact CG2-CB 3.55Å; I446-T478 HydrophobicContact CD1-CG2 4.04Å; I446-T478 HydrophobicContact CG1-CG2 3.84Å; I446-L479 HydrophobicContact CD1-CB 4Å; I446-L479 HydrophobicContact CD1-CD1 4.3Å; I446-V482 HydrophobicContact CD1-CG2 4.32Å |
| 447 | L | 58.8 | Low | 73.6 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -77.8 | -28.2 | 177.8 | -62.6 | 173.4 | 0 | 0 | 0 | 112.4 | G444 G445 M449 K472 E474 A475 | G444-L447 WeakPolarHBondContact O-CB 3.27Å; G444-L447 PolarHBondContact O-N 3.27Å; G444-L447 VanDerWaalsContact O-N 3.13Å; G445-L447 PolarHBondContact O-N 3.16Å; G445-L447 VanDerWaalsContact O-N 3.13Å; L447-M449 VanDerWaalsContact C-N 3.31Å; L447-K472 HydrophobicContact CD1-CD 3.95Å; L447-E474 HydrophobicContact CD1-CB 4.48Å; L447-E474 HydrophobicContact CD2-CB 3.73Å; L447-A475 HydrophobicContact CD2-CB 4.32Å; L447-A475 HydrophobicContact CG-CB 4.29Å |
| 448 | G | 63.8 | Low | 73.3 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G445 | G445-G448 PolarHBondContact O-N 2.77Š|
| 449 | M | 68.6 | Low | 73.1 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -81.1 | 125.4 | -177.1 | -166.5 | -176 | 85.4 | 0 | 0 | 111 | V440 G445 I446 L447 L451 V454 | V440-M449 HydrophobicContact CB-SD 4.41Å; V440-M449 HydrophobicContact CG1-CB 4.22Å; V440-M449 HydrophobicContact CG1-CG 3.91Å; V440-M449 HydrophobicContact CG1-SD 3.56Å; V440-M449 VanDerWaalsContact CG1-SD 3.56Å; V440-M449 HydrophobicContact CG2-SD 3.92Å; G445-M449 PolarHBondContact O-N 2.91Å; I446-M449 HydrophobicContact CG1-CE 4.37Å; I446-M449 WeakPolarHBondContact O-CB 3.21Å; I446-M449 PolarHBondContact O-N 2.83Å; L447-M449 VanDerWaalsContact C-N 3.31Å; M449-L451 HydrophobicContact CE-CD1 4.01Å; M449-L451 PolarHBondContact O-N 2.9Å; M449-V454 HydrophobicContact CE-CB 3.77Å; M449-V454 HydrophobicContact CE-CG1 4.06Å; M449-V454 HydrophobicContact CE-CG2 3.72Å; M449-V454 HydrophobicContact CG-CG2 3.75Å; M449-V454 HydrophobicContact SD-CB 4.05Å; M449-V454 HydrophobicContact SD-CG1 4.38Å; M449-V454 HydrophobicContact SD-CG2 3.31Å; M449-V454 WeakPolarHBondContact SD-CG2 3.29Å |
| 450 | E | 66.8 | Low | 73.2 | Confident | 138 Ų | 138 | 54.7 Ų | 54.7 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | trans | -67.1 | 105.2 | 163.5 | -73.8 | -173.4 | 176.6 | 0 | 0 | 109 | S452 A453 | E450-S452 PolarHBondContact O-N 2.55Å; E450-S452 VanDerWaalsContact O-N 3.09Å; E450-A453 HydrophobicContact CB-CB 4.08Å; E450-A453 WeakPolarHBondContact O-CB 3.46Å; E450-A453 PolarHBondContact O-N 2.99Å | ||
| 451 | L | 68.8 | Low | 73.7 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -51.9 | -36.4 | 179.6 | -142.4 | 91.4 | 0 | 0 | 0 | 112 | M449 A453 V454 Q455 T478 N481 V482 | M449-L451 HydrophobicContact CE-CD1 4.01Å; M449-L451 PolarHBondContact O-N 2.9Å; L451-A453 VanDerWaalsContact C-N 3.33Å; L451-A453 PolarHBondContact O-N 3.34Å; L451-V454 PolarHBondContact O-N 3.18Å; L451-Q455 WeakPolarHBondContact O-CG 3.36Å; L451-Q455 PolarHBondContact O-N 3.48Å; L451-T478 HydrophobicContact CD1-CG2 3.34Å; L451-N481 HydrophobicContact CD2-CB 4.06Å; L451-V482 HydrophobicContact CD1-CG2 4.04Å |
| 452 | S | 72.8 | Confident | 75.1 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 175.9 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | E450 V454 V456 | E450-S452 PolarHBondContact O-N 2.55Å; E450-S452 VanDerWaalsContact O-N 3.09Å; S452-V454 VanDerWaalsContact C-N 3.34Å; S452-V456 WeakPolarHBondContact O-CG2 3.5Å |
| 453 | A | 76.1 | Confident | 76.8 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 26% | 0.264 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L420 E450 L451 | L420-A453 WeakPolarHBondContact CD2-O 3.47Å; E450-A453 HydrophobicContact CB-CB 4.08Å; E450-A453 WeakPolarHBondContact O-CB 3.46Å; E450-A453 PolarHBondContact O-N 2.99Å; L451-A453 VanDerWaalsContact C-N 3.33Å; L451-A453 PolarHBondContact O-N 3.34Å |
| 454 | V | 77.3 | Confident | 78.7 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -81.2 | -30.3 | 179.7 | 170.2 | 0 | 0 | 0 | 0 | 112.7 | M449 L451 S452 V456 L457 L463 Q484 | M449-V454 HydrophobicContact CE-CB 3.77Å; M449-V454 HydrophobicContact CE-CG1 4.06Å; M449-V454 HydrophobicContact CE-CG2 3.72Å; M449-V454 HydrophobicContact CG-CG2 3.75Å; M449-V454 HydrophobicContact SD-CB 4.05Å; M449-V454 HydrophobicContact SD-CG1 4.38Å; M449-V454 HydrophobicContact SD-CG2 3.31Å; M449-V454 WeakPolarHBondContact SD-CG2 3.29Å; L451-V454 PolarHBondContact O-N 3.18Å; S452-V454 VanDerWaalsContact C-N 3.34Å; V454-V456 PolarHBondContact O-N 3.27Å; V454-L457 HydrophobicContact CG1-CD1 4.3Å; V454-L457 WeakPolarHBondContact O-CB 3.49Å; V454-L457 PolarHBondContact O-N 2.98Å; V454-L463 HydrophobicContact CG1-CD1 3.5Å; V454-L463 VanDerWaalsContact CG1-CD1 3.5Å; V454-L463 HydrophobicContact CG1-CD2 3.78Å; V454-L463 HydrophobicContact CG1-CG 4.25Å; V454-Q484 HydrophobicContact CG1-CG 4.45Å; V454-Q484 PolarHBondContact O-NE2 2.94Å |
| 455 | Q | 81.3 | Confident | 80.3 | Confident | 98 Ų | 98 | 41.3 Ų | 41.3 | 46% | 0.458 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -22.5 | 173.6 | -78.4 | 178.7 | -17.2 | 0 | 0 | 113.5 | L451 L457 | L451-Q455 WeakPolarHBondContact O-CG 3.36Å; L451-Q455 PolarHBondContact O-N 3.48Å; Q455-L457 VanDerWaalsContact C-N 3.26Å; Q455-L457 PolarHBondContact O-N 3.35Å |
| 456 | V | 87.6 | Confident | 81.4 | Confident | 98 Ų | 98 | 44 Ų | 44 | 59% | 0.594 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -17.2 | 176 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | L423 S452 V454 | L423-V456 HydrophobicContact CD1-CB 4.34Å; L423-V456 HydrophobicContact CD1-CG1 3.7Å; S452-V456 WeakPolarHBondContact O-CG2 3.5Å; V454-V456 PolarHBondContact O-N 3.27Å |
| 457 | L | 91 | Very high | 82.6 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -67 | 138.8 | -178.6 | -67.6 | 176.8 | 0 | 0 | 0 | 111.7 | L420 L423 W438 V454 Q455 C461 L463 | L420-L457 HydrophobicContact CD2-CD2 3.86Å; L420-L457 HydrophobicContact CD2-CG 4.23Å; L423-L457 HydrophobicContact CD2-CD2 4.13Å; W438-L457 HydrophobicContact CD2-CD1 3.97Å; W438-L457 HydrophobicContact CE3-CD1 4.33Å; W438-L457 HydrophobicContact CE3-CD2 4.21Å; W438-L457 HydrophobicContact CG-CD1 4.18Å; W438-L457 HydrophobicContact CH2-CD2 4.02Å; W438-L457 HydrophobicContact CZ2-CD2 4.37Å; W438-L457 HydrophobicContact CZ3-CD2 3.94Å; V454-L457 HydrophobicContact CG1-CD1 4.3Å; V454-L457 WeakPolarHBondContact O-CB 3.49Å; V454-L457 PolarHBondContact O-N 2.98Å; Q455-L457 VanDerWaalsContact C-N 3.26Å; Q455-L457 PolarHBondContact O-N 3.35Å; L457-C461 HydrophobicContact CB-CB 4.09Å; L457-C461 HydrophobicContact CD1-CB 4.47Å; L457-L463 HydrophobicContact CD1-CD2 4.04Å |
| 458 | P | 90.9 | Very high | 83.7 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 29% | 0.286 | 26% | 0.259 | S | S | . | . | trans | -55.3 | 153.6 | 174 | -29.6 | 37.7 | 0 | 0 | 0 | 113.8 | L430 N460 C461 | L430-P458 HydrophobicContact CB-CG 4.42Å; L430-P458 HydrophobicContact CD1-CG 4.15Å; P458-N460 WeakPolarHBondContact CB-OD1 3.27Å; P458-N460 PolarHBondContact O-N 3.38Å; P458-N460 VanDerWaalsContact O-N 3.15Å; P458-C461 VanDerWaalsContact O-CB 3.24Å; P458-C461 WeakPolarHBondContact O-CB 3.3Å; P458-C461 PolarHBondContact O-N 2.8Å; P458-C461 PolarHBondContact O-SG 3.48Å | ||
| 459 | P | 89.9 | Confident | 84.4 | Confident | 123 Ų | 123 | 44.7 Ų | 44.7 | 80% | 0.799 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -15.1 | -176 | 27.8 | -36.3 | 0 | 0 | 0 | 114.7 | C461 | P459-C461 PolarHBondContact O-N 2.71Š|
| 460 | N | 94 | Very high | 85.1 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -3 | 170.7 | 64.6 | -43.2 | 0 | 0 | 0 | 112.9 | L430 Y433 S434 C435 V436 P458 | L430-N460 PolarHBondContact O-ND2 3.18Å; Y433-N460 PolarHBondContact O-ND2 2.92Å; S434-N460 WeakPolarHBondContact O-CB 3.15Å; C435-N460 WeakPolarHBondContact CA-O 3.31Å; V436-N460 PolarHBondContact N-O 3.01Å; P458-N460 WeakPolarHBondContact CB-OD1 3.27Å; P458-N460 PolarHBondContact O-N 3.38Å; P458-N460 VanDerWaalsContact O-N 3.15Å |
| 461 | C | 94.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.9 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | V436 L457 P458 P459 P485 | V436-C461 CarbonylContact O-C 3.5Å; V436-C461 VanDerWaalsContact O-CA 3.24Å; V436-C461 WeakPolarHBondContact O-CA 3.29Å; L457-C461 HydrophobicContact CB-CB 4.09Å; L457-C461 HydrophobicContact CD1-CB 4.47Å; P458-C461 VanDerWaalsContact O-CB 3.24Å; P458-C461 WeakPolarHBondContact O-CB 3.3Å; P458-C461 PolarHBondContact O-N 2.8Å; P458-C461 PolarHBondContact O-SG 3.48Å; P459-C461 PolarHBondContact O-N 2.71Å; C461-P485 WeakPolarHBondContact O-CD 3.38Å; C461-P485 WeakPolarHBondContact O-CG 3.24Å |
| 462 | V | 95.4 | Very high | 86 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.4 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 109 | I308 V436 F437 W438 P485 C487 L522 | I308-V462 HydrophobicContact CD1-CG1 4.42Å; V436-V462 PolarHBondContact O-N 3.34Å; F437-V462 CarbonylContact C-O 3.6Å; F437-V462 WeakPolarHBondContact CA-O 3.43Å; F437-V462 HydrophobicContact CD1-CB 4.21Å; F437-V462 HydrophobicContact CD1-CG1 4.28Å; F437-V462 HydrophobicContact CE1-CG1 4.38Å; W438-V462 PolarHBondContact N-O 2.92Å; V462-P485 CarbonylContact C-O 3.56Å; V462-P485 WeakPolarHBondContact CA-O 3.24Å; V462-P485 HydrophobicContact CB-CG 4.46Å; V462-P485 HydrophobicContact CG1-CB 4.45Å; V462-P485 HydrophobicContact CG2-CB 4.23Å; V462-P485 HydrophobicContact CG2-CG 3.9Å; V462-C487 HydrophobicContact CG1-CB 4.34Å; V462-C487 VanDerWaalsContact CG1-SG 3.57Å; V462-L522 HydrophobicContact CG1-CD1 4.27Å; V462-L522 HydrophobicContact CG2-CD1 3.96Å |
| 463 | L | 93.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 131.1 | -178.9 | -54.1 | 177.5 | 0 | 0 | 0 | 110.5 | W438 V440 V454 L457 L465 V482 Q484 P485 V486 C487 | W438-L463 HydrophobicContact CB-CD2 4.26Å; W438-L463 HydrophobicContact CG-CD2 4.43Å; W438-L463 CarbonylContact O-C 3.3Å; W438-L463 WeakPolarHBondContact O-CA 3.19Å; V440-L463 HydrophobicContact CG2-CD2 4.37Å; V454-L463 HydrophobicContact CG1-CD1 3.5Å; V454-L463 VanDerWaalsContact CG1-CD1 3.5Å; V454-L463 HydrophobicContact CG1-CD2 3.78Å; V454-L463 HydrophobicContact CG1-CG 4.25Å; L457-L463 HydrophobicContact CD1-CD2 4.04Å; L463-L465 HydrophobicContact CB-CD2 4.4Å; L463-L465 HydrophobicContact CB-CG 4.45Å; L463-V482 HydrophobicContact CD1-CG1 3.72Å; L463-Q484 HydrophobicContact CD1-CB 3.79Å; L463-Q484 HydrophobicContact CD1-CG 4.45Å; L463-Q484 HydrophobicContact CG-CB 3.99Å; L463-P485 PolarHBondContact N-O 3.08Å; L463-V486 HydrophobicContact CB-CG2 4.34Å; L463-V486 HydrophobicContact CD1-CG2 4.49Å; L463-V486 CarbonylContact O-C 3.12Å; L463-V486 WeakPolarHBondContact O-CA 3.42Å; L463-C487 PolarHBondContact O-N 3.41Å |
| 464 | I | 94 | Very high | 85.9 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118.9 | 169.3 | -61.4 | -174.1 | 0 | 0 | 0 | 107.9 | L342 F437 W438 V440 C487 V525 | L342-I464 HydrophobicContact CD2-CD1 4.02Å; F437-I464 HydrophobicContact CB-CD1 3.87Å; F437-I464 HydrophobicContact CB-CG1 4.34Å; F437-I464 HydrophobicContact CD1-CD1 3.94Å; F437-I464 HydrophobicContact CD1-CG1 4.17Å; F437-I464 HydrophobicContact CG-CD1 4.28Å; W438-I464 PolarHBondContact O-N 2.84Å; V440-I464 PolarHBondContact N-O 2.94Å; I464-C487 WeakPolarHBondContact CA-O 3.41Å; I464-C487 HydrophobicContact CG1-CB 4.37Å; I464-V525 HydrophobicContact CD1-CG2 4.19Å |
| 465 | L | 90.9 | Very high | 85.8 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.4 | -176.6 | -57.9 | -177.9 | 0 | 0 | 0 | 111 | V440 I446 L463 L467 L470 L479 V486 C487 S489 | V440-L465 HydrophobicContact CB-CD2 3.97Å; V440-L465 HydrophobicContact CG2-CD2 3.57Å; I446-L465 HydrophobicContact CD1-CD1 4.08Å; L463-L465 HydrophobicContact CB-CD2 4.4Å; L463-L465 HydrophobicContact CB-CG 4.45Å; L465-L467 PolarHBondContact O-N 2.73Å; L465-L470 HydrophobicContact CB-CD1 4.01Å; L465-L470 HydrophobicContact CD1-CD1 4.43Å; L465-L470 HydrophobicContact CD1-CD2 4.43Å; L465-L479 HydrophobicContact CD1-CD1 3.7Å; L465-V486 HydrophobicContact CB-CG1 4.39Å; L465-V486 HydrophobicContact CD1-CG1 3.6Å; L465-V486 HydrophobicContact CD1-CG2 4.28Å; L465-V486 HydrophobicContact CG-CG1 3.91Å; L465-C487 PolarHBondContact N-O 3.34Å; L465-S489 VanDerWaalsContact C-OG 3.32Å; L465-S489 PolarHBondContact O-N 2.93Å; L465-S489 PolarHBondContact O-OG 2.82Å |
| 466 | E | 89.7 | Confident | 85.6 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 27% | 0.271 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 125.5 | 179 | -63.5 | -159.8 | 167.2 | 0 | 0 | 111.6 | E468 E469 L470 S489 R491 | E466-E468 VanDerWaalsContact C-N 3.29Å; E466-E468 PolarHBondContact O-N 2.86Å; E466-E469 HydrophobicContact CB-CG 4.12Å; E466-E469 PolarHBondContact O-N 3.11Å; E466-L470 PolarHBondContact O-N 3.09Å; E466-S489 WeakPolarHBondContact CA-OG 3.46Å; E466-S489 PolarHBondContact N-OG 2.92Å; E466-R491 IonicContact OE1-CZ 3.46Å; E466-R491 IonicContact OE1-NE 2.69Å; E466-R491 IonicContact OE1-NH2 2.7Å; E466-R491 PolarHBondContact OE1-NH2 2.86Å; E466-R491 IonicContact OE2-NE 3.58Å; E466-R491 IonicContact OE2-NH2 2.84Å |
| 467 | L | 89.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -38.9 | -175.8 | -175.9 | 70.3 | 0 | 0 | 0 | 112.4 | L465 E469 L470 G471 L488 S489 L490 N508 L511 L512 L515 | L465-L467 PolarHBondContact O-N 2.73Å; L467-E469 VanDerWaalsContact C-N 3.28Å; L467-E469 PolarHBondContact O-N 2.98Å; L467-L470 PolarHBondContact O-N 2.85Å; L467-G471 PolarHBondContact O-N 2.92Å; L467-L488 HydrophobicContact CD1-CB 4.43Å; L467-L488 HydrophobicContact CD1-CD1 4.35Å; L467-S489 WeakPolarHBondContact CB-O 3.44Å; L467-S489 PolarHBondContact N-O 2.81Å; L467-L490 HydrophobicContact CB-CB 4.41Å; L467-L490 HydrophobicContact CD2-CB 4.21Å; L467-N508 HydrophobicContact CD2-CB 3.85Å; L467-L511 HydrophobicContact CD1-CB 4.32Å; L467-L511 HydrophobicContact CD1-CD2 3.96Å; L467-L511 HydrophobicContact CD1-CG 3.79Å; L467-L511 HydrophobicContact CG-CD2 3.89Å; L467-L511 HydrophobicContact CG-CG 4.2Å; L467-L511 WeakPolarHBondContact O-CD2 3.49Å; L467-L512 HydrophobicContact CD1-CD2 3.84Å; L467-L512 HydrophobicContact CD1-CG 4.17Å; L467-L512 HydrophobicContact CD2-CD1 4.39Å; L467-L512 HydrophobicContact CD2-CD2 4Å; L467-L512 HydrophobicContact CD2-CG 3.74Å; L467-L515 HydrophobicContact CD1-CD1 3.81Å |
| 468 | E | 82.2 | Confident | 84.5 | Confident | 80 Ų | 80 | 47.4 Ų | 47.4 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -36.9 | -178.3 | -66.3 | -170.8 | -172.9 | 0 | 0 | 112 | E466 L470 G471 | E466-E468 VanDerWaalsContact C-N 3.29Å; E466-E468 PolarHBondContact O-N 2.86Å; E468-L470 VanDerWaalsContact C-N 3.34Å; E468-G471 PolarHBondContact O-N 3.3Å |
| 469 | E | 78.3 | Confident | 84.1 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -70.3 | -33.8 | 179.2 | -58.1 | -174.4 | 135.6 | 0 | 0 | 112 | G445 E466 L467 G471 K472 A475 | G445-E469 VanDerWaalsContact CA-CD 3.47Å; G445-E469 WeakPolarHBondContact CA-OE1 3.34Å; G445-E469 WeakPolarHBondContact CA-OE2 3.4Å; G445-E469 PolarHBondContact N-OE1 3.4Å; E466-E469 HydrophobicContact CB-CG 4.12Å; E466-E469 PolarHBondContact O-N 3.11Å; L467-E469 VanDerWaalsContact C-N 3.28Å; L467-E469 PolarHBondContact O-N 2.98Å; E469-G471 PolarHBondContact O-N 2.9Å; E469-K472 PolarHBondContact O-N 3.39Å; E469-A475 WeakPolarHBondContact O-CB 3.39Å |
| 470 | L | 81.7 | Confident | 83.5 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -74.1 | -5.1 | 177 | -61.8 | 174.9 | 0 | 0 | 0 | 113.5 | I446 L465 E466 L467 E468 K472 A475 Q476 L479 L488 L515 | I446-L470 HydrophobicContact CD1-CD2 4.41Å; I446-L470 HydrophobicContact CG2-CD2 4.02Å; L465-L470 HydrophobicContact CB-CD1 4.01Å; L465-L470 HydrophobicContact CD1-CD1 4.43Å; L465-L470 HydrophobicContact CD1-CD2 4.43Å; E466-L470 PolarHBondContact O-N 3.09Å; L467-L470 PolarHBondContact O-N 2.85Å; E468-L470 VanDerWaalsContact C-N 3.34Å; L470-K472 PolarHBondContact O-N 3.28Å; L470-A475 HydrophobicContact CD2-CB 4.22Å; L470-Q476 VanDerWaalsContact O-CG 3.28Å; L470-Q476 WeakPolarHBondContact O-CG 3.39Å; L470-Q476 PolarHBondContact O-NE2 3.18Å; L470-L479 HydrophobicContact CD1-CD2 4.17Å; L470-L479 HydrophobicContact CD2-CD2 4.09Å; L470-L488 HydrophobicContact CD1-CD2 3.48Å; L470-L488 VanDerWaalsContact CD1-CD2 3.48Å; L470-L515 HydrophobicContact CB-CD1 3.79Å; L470-L515 HydrophobicContact CD1-CD1 4.01Å |
| 471 | G | 75.9 | Confident | 82.9 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 42% | 0.423 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -63.4 | -26.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L467 E468 E469 | L467-G471 PolarHBondContact O-N 2.92Å; E468-G471 PolarHBondContact O-N 3.3Å; E469-G471 PolarHBondContact O-N 2.9Å |
| 472 | K | 79.2 | Confident | 82.4 | Confident | 115 Ų | 115 | 45.9 Ų | 45.9 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -73.3 | 136.6 | 179.4 | -61 | 175.3 | -175.9 | 172.6 | 0 | 110.9 | L447 E469 L470 E474 A475 Q476 | L447-K472 HydrophobicContact CD1-CD 3.95Å; E469-K472 PolarHBondContact O-N 3.39Å; L470-K472 PolarHBondContact O-N 3.28Å; K472-E474 VanDerWaalsContact C-N 3.31Å; K472-E474 PolarHBondContact O-N 2.91Å; K472-A475 HydrophobicContact CB-CB 4.17Å; K472-A475 WeakPolarHBondContact O-CB 3.29Å; K472-A475 PolarHBondContact O-N 3.37Å; K472-A475 VanDerWaalsContact O-N 3.16Å; K472-Q476 PolarHBondContact O-N 2.94Å |
| 473 | I | 74.9 | Confident | 81.9 | Confident | 143 Ų | 143 | 52.3 Ų | 52.3 | 73% | 0.733 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59 | -43.1 | -177.6 | -63 | 172.9 | 0 | 0 | 0 | 111.2 | A475 Q476 S477 | I473-A475 VanDerWaalsContact C-N 3.32Å; I473-A475 PolarHBondContact O-N 2.83Å; I473-Q476 WeakPolarHBondContact O-CB 3.4Å; I473-Q476 PolarHBondContact O-N 2.86Å; I473-S477 PolarHBondContact O-N 3.14Å |
| 474 | E | 73 | Confident | 81.7 | Confident | 132 Ų | 132 | 53.1 Ų | 53.1 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 178.1 | -64.6 | 173 | 179.6 | 0 | 0 | 111.4 | L447 K472 Q476 S477 T478 | L447-E474 HydrophobicContact CD1-CB 4.48Å; L447-E474 HydrophobicContact CD2-CB 3.73Å; K472-E474 VanDerWaalsContact C-N 3.31Å; K472-E474 PolarHBondContact O-N 2.91Å; E474-Q476 VanDerWaalsContact C-N 3.27Å; E474-Q476 PolarHBondContact O-N 3.47Å; E474-S477 PolarHBondContact O-N 3.46Å; E474-S477 VanDerWaalsContact O-N 3.09Å; E474-S477 PolarHBondContact O-OG 2.99Å; E474-T478 PolarHBondContact O-N 2.96Å; E474-T478 PolarHBondContact O-OG1 3.29Å; E474-T478 VanDerWaalsContact O-OG1 3.12Å |
| 475 | A | 74.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I446 L447 E469 L470 K472 I473 T478 L479 | I446-A475 HydrophobicContact CG2-CB 3.55Å; L447-A475 HydrophobicContact CD2-CB 4.32Å; L447-A475 HydrophobicContact CG-CB 4.29Å; E469-A475 WeakPolarHBondContact O-CB 3.39Å; L470-A475 HydrophobicContact CD2-CB 4.22Å; K472-A475 HydrophobicContact CB-CB 4.17Å; K472-A475 WeakPolarHBondContact O-CB 3.29Å; K472-A475 PolarHBondContact O-N 3.37Å; K472-A475 VanDerWaalsContact O-N 3.16Å; I473-A475 VanDerWaalsContact C-N 3.32Å; I473-A475 PolarHBondContact O-N 2.83Å; A475-T478 PolarHBondContact O-N 3.06Å; A475-L479 WeakPolarHBondContact O-CB 3.21Å; A475-L479 PolarHBondContact O-N 2.9Å |
| 476 | Q | 76.8 | Confident | 81.7 | Confident | 38 Ų | 38 | 54 Ų | 54 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 176 | -65.8 | 172.5 | 11.4 | 0 | 0 | 112.2 | L470 K472 I473 E474 A480 L515 | L470-Q476 VanDerWaalsContact O-CG 3.28Å; L470-Q476 WeakPolarHBondContact O-CG 3.39Å; L470-Q476 PolarHBondContact O-NE2 3.18Å; K472-Q476 PolarHBondContact O-N 2.94Å; I473-Q476 WeakPolarHBondContact O-CB 3.4Å; I473-Q476 PolarHBondContact O-N 2.86Å; E474-Q476 VanDerWaalsContact C-N 3.27Å; E474-Q476 PolarHBondContact O-N 3.47Å; Q476-A480 PolarHBondContact O-N 3.3Å; Q476-L515 HydrophobicContact CG-CD2 4.17Å |
| 477 | S | 79.6 | Confident | 82 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 174.3 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | I473 E474 A480 N481 | I473-S477 PolarHBondContact O-N 3.14Å; E474-S477 PolarHBondContact O-N 3.46Å; E474-S477 VanDerWaalsContact O-N 3.09Å; E474-S477 PolarHBondContact O-OG 2.99Å; S477-A480 PolarHBondContact O-N 3.48Å; S477-N481 PolarHBondContact O-ND2 3.34Å |
| 478 | T | 76.5 | Confident | 82.2 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.5 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | I446 L451 E474 A475 A480 N481 | I446-T478 HydrophobicContact CD1-CG2 4.04Å; I446-T478 HydrophobicContact CG1-CG2 3.84Å; L451-T478 HydrophobicContact CD1-CG2 3.34Å; E474-T478 PolarHBondContact O-N 2.96Å; E474-T478 PolarHBondContact O-OG1 3.29Å; E474-T478 VanDerWaalsContact O-OG1 3.12Å; A475-T478 PolarHBondContact O-N 3.06Å; T478-A480 PolarHBondContact O-N 3.39Å; T478-N481 WeakPolarHBondContact O-CB 3.46Å; T478-N481 PolarHBondContact O-N 3.1Å |
| 479 | L | 81.5 | Confident | 82.8 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -32.4 | 178 | -178.3 | 60.2 | 0 | 0 | 0 | 113.1 | I446 L465 L470 A475 N481 V482 V486 L515 L518 N520 | I446-L479 HydrophobicContact CD1-CB 4Å; I446-L479 HydrophobicContact CD1-CD1 4.3Å; L465-L479 HydrophobicContact CD1-CD1 3.7Å; L470-L479 HydrophobicContact CD1-CD2 4.17Å; L470-L479 HydrophobicContact CD2-CD2 4.09Å; A475-L479 WeakPolarHBondContact O-CB 3.21Å; A475-L479 PolarHBondContact O-N 2.9Å; L479-N481 PolarHBondContact O-N 2.93Å; L479-V482 PolarHBondContact O-N 2.64Å; L479-V486 HydrophobicContact CD1-CG1 4.25Å; L479-V486 HydrophobicContact CD1-CG2 3.91Å; L479-L515 HydrophobicContact CD2-CD2 4.4Å; L479-L518 HydrophobicContact CD2-CD1 3.34Å; L479-L518 HydrophobicContact CG-CD1 3.87Å; L479-N520 PolarHBondContact O-ND2 3.4Å |
| 480 | A | 78.7 | Confident | 83.5 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 56% | 0.562 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q476 S477 T478 | Q476-A480 PolarHBondContact O-N 3.3Å; S477-A480 PolarHBondContact O-N 3.48Å; T478-A480 PolarHBondContact O-N 3.39Å |
| 481 | N | 81.1 | Confident | 84 | Confident | 102 Ų | 102 | 48.6 Ų | 48.6 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.1 | 177.8 | -61 | -34.9 | 0 | 0 | 0 | 113.1 | L451 S477 T478 L479 | L451-N481 HydrophobicContact CD2-CB 4.06Å; S477-N481 PolarHBondContact O-ND2 3.34Å; T478-N481 WeakPolarHBondContact O-CB 3.46Å; T478-N481 PolarHBondContact O-N 3.1Å; L479-N481 PolarHBondContact O-N 2.93Å |
| 482 | V | 83.9 | Confident | 84.8 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | trans | -90.6 | 113.2 | 179 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | I446 L451 L463 L479 Q484 V486 N520 | I446-V482 HydrophobicContact CD1-CG2 4.32Å; L451-V482 HydrophobicContact CD1-CG2 4.04Å; L463-V482 HydrophobicContact CD1-CG1 3.72Å; L479-V482 PolarHBondContact O-N 2.64Å; V482-Q484 HydrophobicContact CG1-CB 3.97Å; V482-V486 HydrophobicContact CG1-CG2 4.28Å; V482-N520 PolarHBondContact O-ND2 3.41Å | ||
| 483 | D | 84.9 | Confident | 85.3 | Confident | 140 Ų | 140 | 42.4 Ų | 42.4 | 75% | 0.749 | 24% | 0.235 | S | C | * | . | trans | -78.4 | -22.2 | 177.6 | -69.8 | -36.5 | 0 | 0 | 0 | 112.8 | ||||
| 484 | Q | 88.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 9% | 0.089 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -64.4 | 147 | 178 | -77.9 | 67.8 | 24 | 0 | 0 | 111.5 | V454 L463 V482 | V454-Q484 HydrophobicContact CG1-CG 4.45Å; V454-Q484 PolarHBondContact O-NE2 2.94Å; L463-Q484 HydrophobicContact CD1-CB 3.79Å; L463-Q484 HydrophobicContact CD1-CG 4.45Å; L463-Q484 HydrophobicContact CG-CB 3.99Å; V482-Q484 HydrophobicContact CG1-CB 3.97Å |
| 485 | P | 93 | Very high | 86.3 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | trans | -64.2 | 142.1 | 170.8 | 23.6 | -28.8 | 0 | 0 | 0 | 111.5 | C461 V462 L463 N520 L522 | C461-P485 WeakPolarHBondContact O-CD 3.38Å; C461-P485 WeakPolarHBondContact O-CG 3.24Å; V462-P485 CarbonylContact C-O 3.56Å; V462-P485 WeakPolarHBondContact CA-O 3.24Å; V462-P485 HydrophobicContact CB-CG 4.46Å; V462-P485 HydrophobicContact CG1-CB 4.45Å; V462-P485 HydrophobicContact CG2-CB 4.23Å; V462-P485 HydrophobicContact CG2-CG 3.9Å; L463-P485 PolarHBondContact N-O 3.08Å; P485-N520 WeakPolarHBondContact CA-O 3.41Å; P485-L522 HydrophobicContact CB-CD1 3.32Å; P485-L522 HydrophobicContact CB-CD2 4.43Å; P485-L522 HydrophobicContact CB-CG 3.6Å; P485-L522 HydrophobicContact CG-CD1 4.22Å | ||
| 486 | V | 92.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.4 | -173.9 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | L463 L465 L479 V482 L488 N520 C521 L522 | L463-V486 HydrophobicContact CB-CG2 4.34Å; L463-V486 HydrophobicContact CD1-CG2 4.49Å; L463-V486 CarbonylContact O-C 3.12Å; L463-V486 WeakPolarHBondContact O-CA 3.42Å; L465-V486 HydrophobicContact CB-CG1 4.39Å; L465-V486 HydrophobicContact CD1-CG1 3.6Å; L465-V486 HydrophobicContact CD1-CG2 4.28Å; L465-V486 HydrophobicContact CG-CG1 3.91Å; L479-V486 HydrophobicContact CD1-CG1 4.25Å; L479-V486 HydrophobicContact CD1-CG2 3.91Å; V482-V486 HydrophobicContact CG1-CG2 4.28Å; V486-L488 HydrophobicContact CG1-CD2 4.35Å; V486-N520 PolarHBondContact N-O 3.31Å; V486-C521 CarbonylContact O-C 3.55Å; V486-C521 WeakPolarHBondContact O-CA 3.31Å; V486-L522 PolarHBondContact O-N 3.31Å |
| 487 | C | 95.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.2 | 162 | -71.1 | 0 | 0 | 0 | 0 | 110.2 | V462 L463 I464 L465 G523 V525 | V462-C487 HydrophobicContact CG1-CB 4.34Å; V462-C487 VanDerWaalsContact CG1-SG 3.57Å; L463-C487 PolarHBondContact O-N 3.41Å; I464-C487 WeakPolarHBondContact CA-O 3.41Å; I464-C487 HydrophobicContact CG1-CB 4.37Å; L465-C487 PolarHBondContact N-O 3.34Å; C487-G523 CarbonylContact C-O 3.56Å; C487-G523 VanDerWaalsContact CA-O 3.27Å; C487-G523 WeakPolarHBondContact CA-O 3.35Å; C487-V525 HydrophobicContact CB-CG2 3.96Å |
| 488 | L | 94.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118.7 | 176.8 | -54.8 | 174.7 | 0 | 0 | 0 | 108.6 | L467 L470 V486 L512 L515 G523 T524 V525 | L467-L488 HydrophobicContact CD1-CB 4.43Å; L467-L488 HydrophobicContact CD1-CD1 4.35Å; L470-L488 HydrophobicContact CD1-CD2 3.48Å; L470-L488 VanDerWaalsContact CD1-CD2 3.48Å; V486-L488 HydrophobicContact CG1-CD2 4.35Å; L488-L512 HydrophobicContact CB-CD2 3.89Å; L488-L512 HydrophobicContact CD1-CD2 3.74Å; L488-L512 HydrophobicContact CG-CD2 4.48Å; L488-L515 HydrophobicContact CD1-CB 3.67Å; L488-L515 HydrophobicContact CD1-CD1 4.36Å; L488-L515 HydrophobicContact CD2-CB 4.46Å; L488-L515 HydrophobicContact CD2-CD1 4.22Å; L488-G523 PolarHBondContact N-O 3.23Å; L488-T524 CarbonylContact O-C 3.11Å; L488-T524 VanDerWaalsContact O-CA 3.27Å; L488-T524 WeakPolarHBondContact O-CA 3.29Å; L488-V525 PolarHBondContact O-N 3.21Å |
| 489 | S | 94.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 139.9 | 172.6 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | L465 E466 L467 V525 | L465-S489 VanDerWaalsContact C-OG 3.32Å; L465-S489 PolarHBondContact O-N 2.93Å; L465-S489 PolarHBondContact O-OG 2.82Å; E466-S489 WeakPolarHBondContact CA-OG 3.46Å; E466-S489 PolarHBondContact N-OG 2.92Å; L467-S489 WeakPolarHBondContact CB-O 3.44Å; L467-S489 PolarHBondContact N-O 2.81Å; S489-V525 CarbonylContact C-O 3.23Å; S489-V525 VanDerWaalsContact CA-O 3.27Å; S489-V525 WeakPolarHBondContact CA-O 3.43Å |
| 490 | L | 93.2 | Very high | 89.3 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 148.6 | 170.4 | 64.8 | 157.2 | 0 | 0 | 0 | 109.4 | L467 L512 T524 V525 I526 C527 A548 | L467-L490 HydrophobicContact CB-CB 4.41Å; L467-L490 HydrophobicContact CD2-CB 4.21Å; L490-L512 HydrophobicContact CD1-CD1 4.3Å; L490-L512 HydrophobicContact CD2-CD1 4.3Å; L490-T524 HydrophobicContact CD2-CG2 3.21Å; L490-V525 PolarHBondContact N-O 3.27Å; L490-I526 HydrophobicContact CD1-CD1 4.08Å; L490-I526 HydrophobicContact CG-CD1 3.8Å; L490-C527 PolarHBondContact O-N 2.95Å; L490-A548 HydrophobicContact CD1-CB 4.05Å; L490-A548 HydrophobicContact CD2-CB 4.08Å; L490-A548 HydrophobicContact CG-CB 4.47Å |
| 491 | R | 92.2 | Very high | 90 | Very high | 66 Ų | 66 | 29.4 Ų | 29.4 | 25% | 0.249 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 150.3 | -179.9 | -58.8 | -179.5 | 171.8 | -103 | -5 | 110.2 | E466 A493 C527 Y529 | E466-R491 IonicContact OE1-CZ 3.46Å; E466-R491 IonicContact OE1-NE 2.69Å; E466-R491 IonicContact OE1-NH2 2.7Å; E466-R491 PolarHBondContact OE1-NH2 2.86Å; E466-R491 IonicContact OE2-NE 3.58Å; E466-R491 IonicContact OE2-NH2 2.84Å; R491-A493 VanDerWaalsContact C-N 3.26Å; R491-A493 VanDerWaalsContact CB-O 3.23Å; R491-A493 WeakPolarHBondContact CB-O 3.49Å; R491-A493 PolarHBondContact O-N 3.34Å; R491-C527 CarbonylContact C-O 3.57Å; R491-C527 WeakPolarHBondContact CA-O 3.42Å; R491-Y529 HydrophobicContact CG-CD2 3.86Å; R491-Y529 HydrophobicContact CG-CE2 3.92Å |
| 492 | S | 92.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -63.3 | -34.9 | 171.2 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | C527 P544 | S492-C527 PolarHBondContact N-O 3.15Å; S492-C527 PolarHBondContact OG-O 3.49Å; S492-P544 WeakPolarHBondContact O-CG 3.33Å |
| 493 | A | 89.9 | Confident | 91 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -142.9 | 152.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | R491 | R491-A493 VanDerWaalsContact C-N 3.26Å; R491-A493 VanDerWaalsContact CB-O 3.23Å; R491-A493 WeakPolarHBondContact CB-O 3.49Å; R491-A493 PolarHBondContact O-N 3.34Å |
| 494 | R | 86.9 | Confident | 91.3 | Very high | 97 Ų | 97 | 27.1 Ų | 27.1 | 37% | 0.366 | 14% | 0.14 | S | C | . | . | trans | -49.6 | 143.4 | 168.4 | 178.7 | 173.9 | -98.2 | -167.3 | -10.5 | 111.1 | G496 Y497 E500 | R494-G496 PolarHBondContact O-N 3.24Å; R494-Y497 HydrophobicContact CB-CD2 4.06Å; R494-Y497 HydrophobicContact CB-CG 4.41Å; R494-Y497 HydrophobicContact CG-CD2 3.91Å; R494-Y497 HydrophobicContact CG-CE2 4.28Å; R494-Y497 PolarHBondContact O-N 3.12Å; R494-Y497 VanDerWaalsContact O-N 3.11Å; R494-E500 PolarHBondContact N-OE2 3.03Å | ||
| 495 | P | 83.2 | Confident | 91.6 | Very high | 50 Ų | 50 | 26.4 Ų | 26.4 | 33% | 0.325 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 130.2 | 173.1 | -28.7 | 36.7 | 0 | 0 | 0 | 111.8 | Y497 V607 | P495-Y497 WeakPolarHBondContact O-CD2 3.29Å; P495-V607 VanDerWaalsContact O-O 3.1Å |
| 496 | G | 87.3 | Confident | 91.7 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 12 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | R494 S609 V612 | R494-G496 PolarHBondContact O-N 3.24Å; G496-S609 WeakPolarHBondContact O-CB 3.38Å; G496-S609 PolarHBondContact O-N 2.85Å; G496-S609 PolarHBondContact O-OG 3.47Å; G496-V612 VanDerWaalsContact O-CG2 3.3Å; G496-V612 WeakPolarHBondContact O-CG2 3.35Å |
| 497 | Y | 91.7 | Very high | 91.6 | Very high | 30 Ų | 30 | 30 Ų | 30 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | trans | -118.1 | 155.4 | 173.3 | -73.6 | -107.3 | 0 | 0 | 0 | 110.4 | R494 P495 E594 | R494-Y497 HydrophobicContact CB-CD2 4.06Å; R494-Y497 HydrophobicContact CB-CG 4.41Å; R494-Y497 HydrophobicContact CG-CD2 3.91Å; R494-Y497 HydrophobicContact CG-CE2 4.28Å; R494-Y497 PolarHBondContact O-N 3.12Å; R494-Y497 VanDerWaalsContact O-N 3.11Å; P495-Y497 WeakPolarHBondContact O-CD2 3.29Å; Y497-E594 WeakPolarHBondContact CA-OE1 3.24Å; Y497-E594 HydrophobicContact CD1-CG 3.78Å; Y497-E594 HydrophobicContact CE1-CG 4.24Å | ||
| 498 | F | 92.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -79.4 | -37.2 | 177.7 | -59.9 | -39.3 | 0 | 0 | 0 | 113.2 | C533 I535 V536 L540 E594 F611 V612 L615 V681 M685 | F498-C533 HydrophobicContact CE1-CB 4.22Å; F498-C533 VanDerWaalsContact CE1-SG 3.56Å; F498-I535 HydrophobicContact CE1-CG2 4.18Å; F498-V536 HydrophobicContact CB-CG2 4.27Å; F498-V536 HydrophobicContact CD1-CG2 3.46Å; F498-V536 VanDerWaalsContact CD1-CG2 3.46Å; F498-V536 HydrophobicContact CE1-CG2 4.25Å; F498-V536 HydrophobicContact CG-CG2 4.27Å; F498-L540 HydrophobicContact CB-CD1 4.35Å; F498-L540 WeakPolarHBondContact O-CD1 3.1Å; F498-E594 PolarHBondContact N-OE1 3.32Å; F498-E594 VanDerWaalsContact N-OE1 3.08Å; F498-E594 PolarHBondContact N-OE2 3.16Å; F498-E594 VanDerWaalsContact N-OE2 3.07Å; F498-F611 HydrophobicContact CE2-CB 3.7Å; F498-F611 HydrophobicContact CZ-CB 4.19Å; F498-V612 HydrophobicContact CD1-CG2 3.87Å; F498-V612 HydrophobicContact CE1-CG2 3.33Å; F498-V612 HydrophobicContact CZ-CG2 3.68Å; F498-L615 HydrophobicContact CE1-CD1 4.31Å; F498-L615 HydrophobicContact CE2-CD1 4.46Å; F498-L615 HydrophobicContact CZ-CD1 3.57Å; F498-V681 HydrophobicContact CB-CG1 4.34Å; F498-V681 HydrophobicContact CD2-CG1 3.99Å; F498-V681 HydrophobicContact CG-CG1 4.25Å; F498-M685 HydrophobicContact CD2-CG 3.98Å; F498-M685 HydrophobicContact CD2-SD 3.99Å; F498-M685 HydrophobicContact CE2-CG 3.75Å; F498-M685 HydrophobicContact CE2-SD 4.37Å |
| 499 | C | 89.9 | Confident | 91.5 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -150.3 | 156.9 | -173.3 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | L540 I587 M590 A591 E594 | C499-L540 HydrophobicContact CB-CD1 4.26Å; C499-I587 HydrophobicContact CB-CG2 4.43Å; C499-M590 HydrophobicContact CB-CE 4.26Å; C499-M590 VanDerWaalsContact SG-CE 3.52Å; C499-A591 HydrophobicContact CB-CB 4.15Å; C499-A591 WeakPolarHBondContact SG-CA 3.46Å; C499-A591 WeakPolarHBondContact SG-CB 3.32Å; C499-E594 PolarHBondContact N-OE2 3.05Å |
| 500 | E | 90.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 7% | 0.065 | 19% | 0.188 | C | C | . | . | trans | -96 | 146.4 | -179.1 | -164.3 | 51.2 | -89.1 | 0 | 0 | 112.6 | R494 I504 L505 A591 | R494-E500 PolarHBondContact N-OE2 3.03Å; E500-I504 HydrophobicContact CG-CB 3.94Å; E500-I504 HydrophobicContact CG-CG2 3.86Å; E500-I504 VanDerWaalsContact OE1-CB 3.26Å; E500-I504 WeakPolarHBondContact OE1-CB 3.47Å; E500-I504 WeakPolarHBondContact OE1-CD1 3.38Å; E500-L505 HydrophobicContact CB-CD2 4.23Å; E500-L505 HydrophobicContact CB-CG 4.3Å; E500-L505 HydrophobicContact CG-CD2 3.95Å; E500-L505 HydrophobicContact CG-CG 3.95Å; E500-A591 VanDerWaalsContact O-CB 3.27Å; E500-A591 WeakPolarHBondContact O-CB 3.43Å | ||
| 501 | T | 93.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | trans | -82 | 151 | 176.7 | 57 | 0 | 0 | 0 | 0 | 112.4 | E503 I504 L505 A591 R595 | T501-E503 PolarHBondContact O-N 3.44Å; T501-I504 PolarHBondContact O-N 3.39Å; T501-I504 WeakPolarHBondContact OG1-CG1 3.46Å; T501-I504 PolarHBondContact OG1-N 2.9Å; T501-L505 WeakPolarHBondContact O-CG 3.46Å; T501-L505 PolarHBondContact O-N 3Å; T501-A591 HydrophobicContact CG2-CB 3.86Å; T501-A591 WeakPolarHBondContact CG2-O 3.42Å; T501-R595 HydrophobicContact CG2-CB 3.89Å; T501-R595 HydrophobicContact CG2-CG 4.38Å | ||
| 502 | A | 93.8 | Very high | 91.3 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 30% | 0.298 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.5 | -36.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L505 A506 F563 L588 | A502-L505 PolarHBondContact O-N 3.17Å; A502-A506 WeakPolarHBondContact O-CB 3.34Å; A502-A506 PolarHBondContact O-N 3.46Å; A502-F563 HydrophobicContact CB-CD1 4.41Å; A502-L588 HydrophobicContact CB-CD2 4.05Å |
| 503 | E | 92.1 | Very high | 91.3 | Very high | 146 Ų | 146 | 33 Ų | 33 | 68% | 0.682 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -62.2 | -44.6 | 178.5 | -63.9 | 176.1 | 178.2 | 0 | 0 | 112.5 | T501 A506 S507 | T501-E503 PolarHBondContact O-N 3.44Å; E503-A506 PolarHBondContact O-N 3.1Å; E503-S507 PolarHBondContact O-N 2.82Å |
| 504 | I | 91.7 | Very high | 91.3 | Very high | 19 Ų | 19 | 38 Ų | 38 | 10% | 0.097 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.8 | -41.9 | 177.5 | -68.7 | 175 | 0 | 0 | 0 | 110.7 | E500 T501 A506 S507 N508 R595 | E500-I504 HydrophobicContact CG-CB 3.94Å; E500-I504 HydrophobicContact CG-CG2 3.86Å; E500-I504 VanDerWaalsContact OE1-CB 3.26Å; E500-I504 WeakPolarHBondContact OE1-CB 3.47Å; E500-I504 WeakPolarHBondContact OE1-CD1 3.38Å; T501-I504 PolarHBondContact O-N 3.39Å; T501-I504 WeakPolarHBondContact OG1-CG1 3.46Å; T501-I504 PolarHBondContact OG1-N 2.9Å; I504-A506 PolarHBondContact O-N 3.4Å; I504-S507 WeakPolarHBondContact O-CB 3.48Å; I504-S507 PolarHBondContact O-N 2.89Å; I504-S507 VanDerWaalsContact O-N 3.13Å; I504-N508 WeakPolarHBondContact O-CB 3.29Å; I504-N508 PolarHBondContact O-N 2.88Å; I504-R595 VanDerWaalsContact CD1-CZ 3.48Å |
| 505 | L | 94.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.9 | -42.5 | 173.7 | -70 | 177.4 | 0 | 0 | 0 | 110.7 | E500 T501 A502 N508 C509 P544 F563 L566 | E500-L505 HydrophobicContact CB-CD2 4.23Å; E500-L505 HydrophobicContact CB-CG 4.3Å; E500-L505 HydrophobicContact CG-CD2 3.95Å; E500-L505 HydrophobicContact CG-CG 3.95Å; T501-L505 WeakPolarHBondContact O-CG 3.46Å; T501-L505 PolarHBondContact O-N 3Å; A502-L505 PolarHBondContact O-N 3.17Å; L505-N508 PolarHBondContact O-N 3.25Å; L505-C509 WeakPolarHBondContact O-CB 3.48Å; L505-C509 PolarHBondContact O-N 3.34Å; L505-C509 PolarHBondContact O-SG 3.47Å; L505-P544 HydrophobicContact CD2-CB 4.12Å; L505-P544 HydrophobicContact CD2-CG 4.2Å; L505-F563 HydrophobicContact CB-CE1 3.65Å; L505-F563 HydrophobicContact CB-CZ 3.86Å; L505-L566 HydrophobicContact CD1-CD2 4.46Å |
| 506 | A | 94.1 | Very high | 91.6 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 24% | 0.24 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A502 E503 I504 N508 C509 A510 F563 | A502-A506 WeakPolarHBondContact O-CB 3.34Å; A502-A506 PolarHBondContact O-N 3.46Å; E503-A506 PolarHBondContact O-N 3.1Å; I504-A506 PolarHBondContact O-N 3.4Å; A506-N508 PolarHBondContact O-N 2.84Å; A506-C509 WeakPolarHBondContact O-CB 3.38Å; A506-C509 PolarHBondContact O-N 3.36Å; A506-A510 PolarHBondContact O-N 3.36Å; A506-F563 HydrophobicContact CB-CD2 3.77Å; A506-F563 HydrophobicContact CB-CE1 4.41Å; A506-F563 HydrophobicContact CB-CE2 3.44Å; A506-F563 VanDerWaalsContact CB-CE2 3.44Å; A506-F563 HydrophobicContact CB-CG 4.45Å; A506-F563 HydrophobicContact CB-CZ 3.8Å; A506-F563 VanDerWaalsContact N-CZ 3.28Å |
| 507 | S | 92.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 39.4 Ų | 39.4 | 53% | 0.531 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 112 | E503 I504 C509 A510 L511 | E503-S507 PolarHBondContact O-N 2.82Å; I504-S507 WeakPolarHBondContact O-CB 3.48Å; I504-S507 PolarHBondContact O-N 2.89Å; I504-S507 VanDerWaalsContact O-N 3.13Å; S507-C509 VanDerWaalsContact C-N 3.34Å; S507-C509 PolarHBondContact O-N 3.34Å; S507-A510 PolarHBondContact O-N 3.01Å; S507-L511 PolarHBondContact O-N 3.45Å |
| 508 | N | 92.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.9 | -73 | -10.6 | 0 | 0 | 0 | 111.1 | L467 I504 L505 A506 A510 L511 L512 | L467-N508 HydrophobicContact CD2-CB 3.85Å; I504-N508 WeakPolarHBondContact O-CB 3.29Å; I504-N508 PolarHBondContact O-N 2.88Å; L505-N508 PolarHBondContact O-N 3.25Å; A506-N508 PolarHBondContact O-N 2.84Å; N508-A510 PolarHBondContact O-N 3.13Å; N508-L511 PolarHBondContact O-N 3.41Å; N508-L512 WeakPolarHBondContact O-CB 3.42Å; N508-L512 WeakPolarHBondContact O-CG 3.48Å; N508-L512 PolarHBondContact O-N 2.98Å |
| 509 | C | 93.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.3 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | L505 A506 S507 L511 L512 K513 T547 M551 L559 | L505-C509 WeakPolarHBondContact O-CB 3.48Å; L505-C509 PolarHBondContact O-N 3.34Å; L505-C509 PolarHBondContact O-SG 3.47Å; A506-C509 WeakPolarHBondContact O-CB 3.38Å; A506-C509 PolarHBondContact O-N 3.36Å; S507-C509 VanDerWaalsContact C-N 3.34Å; S507-C509 PolarHBondContact O-N 3.34Å; C509-L511 VanDerWaalsContact C-N 3.3Å; C509-L511 PolarHBondContact O-N 2.68Å; C509-L512 PolarHBondContact O-N 2.93Å; C509-K513 VanDerWaalsContact O-CB 3.32Å; C509-K513 WeakPolarHBondContact O-CB 3.45Å; C509-K513 PolarHBondContact O-N 3.15Å; C509-T547 WeakPolarHBondContact SG-CG2 2.99Å; C509-M551 HydrophobicContact CB-CE 4.08Å; C509-M551 HydrophobicContact CB-CG 4.29Å; C509-M551 HydrophobicContact CB-SD 4.36Å; C509-L559 HydrophobicContact CB-CD1 4.02Å; C509-L559 HydrophobicContact CB-CD2 3.64Å |
| 510 | A | 92.1 | Very high | 90.3 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A506 S507 N508 K514 L559 | A506-A510 PolarHBondContact O-N 3.36Å; S507-A510 PolarHBondContact O-N 3.01Å; N508-A510 PolarHBondContact O-N 3.13Å; A510-K514 PolarHBondContact O-N 3.01Å; A510-K514 VanDerWaalsContact O-N 3.13Å; A510-L559 HydrophobicContact CB-CD1 4.23Å |
| 511 | L | 91.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.4 | -44.1 | 176.1 | -172.5 | 55.4 | 0 | 0 | 0 | 112.2 | L467 S507 N508 C509 K513 K514 L515 | L467-L511 HydrophobicContact CD1-CB 4.32Å; L467-L511 HydrophobicContact CD1-CD2 3.96Å; L467-L511 HydrophobicContact CD1-CG 3.79Å; L467-L511 HydrophobicContact CG-CD2 3.89Å; L467-L511 HydrophobicContact CG-CG 4.2Å; L467-L511 WeakPolarHBondContact O-CD2 3.49Å; S507-L511 PolarHBondContact O-N 3.45Å; N508-L511 PolarHBondContact O-N 3.41Å; C509-L511 VanDerWaalsContact C-N 3.3Å; C509-L511 PolarHBondContact O-N 2.68Å; L511-K513 VanDerWaalsContact C-N 3.32Å; L511-K513 PolarHBondContact O-N 2.76Å; L511-K514 WeakPolarHBondContact O-CB 3.18Å; L511-K514 PolarHBondContact O-N 2.6Å; L511-K514 VanDerWaalsContact O-N 3.11Å; L511-L515 HydrophobicContact CD1-CD1 3.86Å; L511-L515 HydrophobicContact CD1-CG 4.01Å; L511-L515 HydrophobicContact CG-CD1 3.87Å; L511-L515 HydrophobicContact CG-CG 4.38Å; L511-L515 WeakPolarHBondContact O-CG 3.4Å; L511-L515 PolarHBondContact O-N 2.95Å |
| 512 | L | 92.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.9 | -46 | 173 | -76.3 | 171.5 | 0 | 0 | 0 | 111.3 | L467 L488 L490 N508 C509 K514 L515 S516 T524 | L467-L512 HydrophobicContact CD1-CD2 3.84Å; L467-L512 HydrophobicContact CD1-CG 4.17Å; L467-L512 HydrophobicContact CD2-CD1 4.39Å; L467-L512 HydrophobicContact CD2-CD2 4Å; L467-L512 HydrophobicContact CD2-CG 3.74Å; L488-L512 HydrophobicContact CB-CD2 3.89Å; L488-L512 HydrophobicContact CD1-CD2 3.74Å; L488-L512 HydrophobicContact CG-CD2 4.48Å; L490-L512 HydrophobicContact CD1-CD1 4.3Å; L490-L512 HydrophobicContact CD2-CD1 4.3Å; N508-L512 WeakPolarHBondContact O-CB 3.42Å; N508-L512 WeakPolarHBondContact O-CG 3.48Å; N508-L512 PolarHBondContact O-N 2.98Å; C509-L512 PolarHBondContact O-N 2.93Å; L512-K514 VanDerWaalsContact C-N 3.26Å; L512-K514 PolarHBondContact O-N 2.96Å; L512-L515 PolarHBondContact O-N 2.61Å; L512-S516 WeakPolarHBondContact O-CB 3.5Å; L512-S516 PolarHBondContact O-N 2.8Å; L512-S516 PolarHBondContact O-OG 3.3Å; L512-T524 HydrophobicContact CD1-CG2 4.38Å; L512-T524 HydrophobicContact CD2-CG2 4.02Å |
| 513 | K | 91.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -31.8 | 177.9 | -175.8 | 167.6 | -169 | 167.7 | 0 | 112.9 | C509 L511 S516 M551 C555 Q556 V557 | C509-K513 VanDerWaalsContact O-CB 3.32Å; C509-K513 WeakPolarHBondContact O-CB 3.45Å; C509-K513 PolarHBondContact O-N 3.15Å; L511-K513 VanDerWaalsContact C-N 3.32Å; L511-K513 PolarHBondContact O-N 2.76Å; K513-S516 PolarHBondContact O-OG 3.32Å; K513-M551 HydrophobicContact CB-CE 4.02Å; K513-C555 VanDerWaalsContact CD-O 3.23Å; K513-C555 WeakPolarHBondContact CD-O 3.33Å; K513-C555 WeakPolarHBondContact CE-O 3.14Å; K513-C555 VanDerWaalsContact CG-O 3.29Å; K513-C555 WeakPolarHBondContact CG-O 3.45Å; K513-Q556 PolarHBondContact NZ-O 2.84Å; K513-V557 PolarHBondContact NZ-O 2.82Å |
| 514 | K | 89.8 | Confident | 90.7 | Very high | 117 Ų | 117 | 39.6 Ų | 39.6 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -73.6 | -48.9 | 175.5 | -176.9 | -176.8 | 174.9 | -168.5 | 0 | 111 | A510 L511 L512 | A510-K514 PolarHBondContact O-N 3.01Å; A510-K514 VanDerWaalsContact O-N 3.13Å; L511-K514 WeakPolarHBondContact O-CB 3.18Å; L511-K514 PolarHBondContact O-N 2.6Å; L511-K514 VanDerWaalsContact O-N 3.11Å; L512-K514 VanDerWaalsContact C-N 3.26Å; L512-K514 PolarHBondContact O-N 2.96Å |
| 515 | L | 88.7 | Confident | 90.9 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -78.6 | -25 | -173.7 | -63.5 | 176.9 | 0 | 0 | 0 | 113.3 | L467 L470 Q476 L479 L488 L511 L512 K517 L518 | L467-L515 HydrophobicContact CD1-CD1 3.81Å; L470-L515 HydrophobicContact CB-CD1 3.79Å; L470-L515 HydrophobicContact CD1-CD1 4.01Å; Q476-L515 HydrophobicContact CG-CD2 4.17Å; L479-L515 HydrophobicContact CD2-CD2 4.4Å; L488-L515 HydrophobicContact CD1-CB 3.67Å; L488-L515 HydrophobicContact CD1-CD1 4.36Å; L488-L515 HydrophobicContact CD2-CB 4.46Å; L488-L515 HydrophobicContact CD2-CD1 4.22Å; L511-L515 HydrophobicContact CD1-CD1 3.86Å; L511-L515 HydrophobicContact CD1-CG 4.01Å; L511-L515 HydrophobicContact CG-CD1 3.87Å; L511-L515 HydrophobicContact CG-CG 4.38Å; L511-L515 WeakPolarHBondContact O-CG 3.4Å; L511-L515 PolarHBondContact O-N 2.95Å; L512-L515 PolarHBondContact O-N 2.61Å; L515-K517 PolarHBondContact O-N 2.84Å; L515-K517 VanDerWaalsContact O-N 3.08Å; L515-L518 HydrophobicContact CB-CD1 4.41Å; L515-L518 HydrophobicContact CD2-CD1 3.96Å; L515-L518 VanDerWaalsContact O-CB 3.3Å; L515-L518 WeakPolarHBondContact O-CB 3.41Å; L515-L518 VanDerWaalsContact O-CG 3.31Å; L515-L518 WeakPolarHBondContact O-CG 3.25Å; L515-L518 PolarHBondContact O-N 2.95Å |
| 516 | S | 88.1 | Confident | 91 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.8 | 175.5 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | L512 K513 L518 | L512-S516 WeakPolarHBondContact O-CB 3.5Å; L512-S516 PolarHBondContact O-N 2.8Å; L512-S516 PolarHBondContact O-OG 3.3Å; K513-S516 PolarHBondContact O-OG 3.32Å; S516-L518 VanDerWaalsContact C-N 3.27Å |
| 517 | K | 85.7 | Confident | 91.1 | Very high | 157 Ų | 157 | 37.2 Ų | 37.2 | 68% | 0.683 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.7 | 175.4 | -62.3 | -179.3 | -179.2 | -179.4 | 0 | 113.2 | L515 | L515-K517 PolarHBondContact O-N 2.84Å; L515-K517 VanDerWaalsContact O-N 3.08Å |
| 518 | L | 83.9 | Confident | 91.1 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -71.9 | 136.8 | 178 | -63.9 | 171.4 | 0 | 0 | 0 | 110.3 | L479 L515 S516 N520 C521 | L479-L518 HydrophobicContact CD2-CD1 3.34Å; L479-L518 HydrophobicContact CG-CD1 3.87Å; L515-L518 HydrophobicContact CB-CD1 4.41Å; L515-L518 HydrophobicContact CD2-CD1 3.96Å; L515-L518 VanDerWaalsContact O-CB 3.3Å; L515-L518 WeakPolarHBondContact O-CB 3.41Å; L515-L518 VanDerWaalsContact O-CG 3.31Å; L515-L518 WeakPolarHBondContact O-CG 3.25Å; L515-L518 PolarHBondContact O-N 2.95Å; S516-L518 VanDerWaalsContact C-N 3.27Å; L518-N520 VanDerWaalsContact C-N 3.25Å; L518-N520 PolarHBondContact O-N 2.95Å; L518-C521 HydrophobicContact CB-CB 4.33Å; L518-C521 WeakPolarHBondContact O-CB 3.33Å; L518-C521 PolarHBondContact O-N 2.99Å; L518-C521 VanDerWaalsContact O-N 3.12Å |
| 519 | A | 75.7 | Confident | 90.9 | Very high | 96 Ų | 96 | 34.6 Ų | 34.6 | 79% | 0.793 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 520 | N | 87.7 | Confident | 90.3 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -5.1 | 178.8 | 61.5 | -12.5 | 0 | 0 | 0 | 113.6 | L479 V482 P485 V486 L518 L522 | L479-N520 PolarHBondContact O-ND2 3.4Å; V482-N520 PolarHBondContact O-ND2 3.41Å; P485-N520 WeakPolarHBondContact CA-O 3.41Å; V486-N520 PolarHBondContact N-O 3.31Å; L518-N520 VanDerWaalsContact C-N 3.25Å; L518-N520 PolarHBondContact O-N 2.95Å; N520-L522 PolarHBondContact O-N 3.49Å; N520-L522 VanDerWaalsContact O-N 3.15Å |
| 521 | C | 91.2 | Very high | 89.3 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 14% | 0.135 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 102.9 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | V486 L518 | V486-C521 CarbonylContact O-C 3.55Å; V486-C521 WeakPolarHBondContact O-CA 3.31Å; L518-C521 HydrophobicContact CB-CB 4.33Å; L518-C521 WeakPolarHBondContact O-CB 3.33Å; L518-C521 PolarHBondContact O-N 2.99Å; L518-C521 VanDerWaalsContact O-N 3.12Å |
| 522 | L | 93.9 | Very high | 88.4 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -29.2 | 177.7 | -69.2 | -169 | 0 | 0 | 0 | 113.7 | R307 I308 V462 P485 V486 N520 | R307-L522 PolarHBondContact N-O 3.43Å; I308-L522 HydrophobicContact CD1-CB 4Å; I308-L522 HydrophobicContact CD1-CD1 4.09Å; I308-L522 HydrophobicContact CG1-CB 4.49Å; I308-L522 PolarHBondContact N-O 3.33Å; V462-L522 HydrophobicContact CG1-CD1 4.27Å; V462-L522 HydrophobicContact CG2-CD1 3.96Å; P485-L522 HydrophobicContact CB-CD1 3.32Å; P485-L522 HydrophobicContact CB-CD2 4.43Å; P485-L522 HydrophobicContact CB-CG 3.6Å; P485-L522 HydrophobicContact CG-CD1 4.22Å; V486-L522 PolarHBondContact O-N 3.31Å; N520-L522 PolarHBondContact O-N 3.49Å; N520-L522 VanDerWaalsContact O-N 3.15Å |
| 523 | G | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -164.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | I308 C487 L488 | I308-G523 CarbonylContact O-C 3.53Å; I308-G523 WeakPolarHBondContact O-CA 3.49Å; C487-G523 CarbonylContact C-O 3.56Å; C487-G523 VanDerWaalsContact CA-O 3.27Å; C487-G523 WeakPolarHBondContact CA-O 3.35Å; L488-G523 PolarHBondContact N-O 3.23Å |
| 524 | T | 96.8 | Very high | 87.6 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.8 | -174.6 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | Q306 I308 A310 L488 L490 L512 | Q306-T524 VanDerWaalsContact CD-OG1 3.29Å; Q306-T524 PolarHBondContact NE2-OG1 3.02Å; Q306-T524 VanDerWaalsContact NE2-OG1 3.17Å; Q306-T524 VanDerWaalsContact OE1-CB 3.3Å; Q306-T524 PolarHBondContact OE1-OG1 3.41Å; I308-T524 PolarHBondContact O-N 3.43Å; A310-T524 PolarHBondContact N-O 2.98Å; L488-T524 CarbonylContact O-C 3.11Å; L488-T524 VanDerWaalsContact O-CA 3.27Å; L488-T524 WeakPolarHBondContact O-CA 3.29Å; L490-T524 HydrophobicContact CD2-CG2 3.21Å; L512-T524 HydrophobicContact CD1-CG2 4.38Å; L512-T524 HydrophobicContact CD2-CG2 4.02Å |
| 525 | V | 97.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114.7 | 175.6 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | A310 L312 I464 C487 L488 S489 L490 | A310-V525 HydrophobicContact CB-CB 4.26Å; A310-V525 HydrophobicContact CB-CG1 4Å; A310-V525 HydrophobicContact CB-CG2 3.98Å; A310-V525 WeakPolarHBondContact O-CA 3.22Å; L312-V525 HydrophobicContact CB-CG1 3.96Å; I464-V525 HydrophobicContact CD1-CG2 4.19Å; C487-V525 HydrophobicContact CB-CG2 3.96Å; L488-V525 PolarHBondContact O-N 3.21Å; S489-V525 CarbonylContact C-O 3.23Å; S489-V525 VanDerWaalsContact CA-O 3.27Å; S489-V525 WeakPolarHBondContact CA-O 3.43Å; L490-V525 PolarHBondContact N-O 3.27Å |
| 526 | I | 96.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.3 | 169.4 | 178.9 | 65.7 | 0 | 0 | 0 | 109 | A310 L311 L312 L490 P544 A545 A548 | A310-I526 WeakPolarHBondContact O-CG2 3.45Å; A310-I526 PolarHBondContact O-N 2.94Å; L311-I526 WeakPolarHBondContact CA-O 3.46Å; L311-I526 HydrophobicContact CB-CG2 4.35Å; L311-I526 HydrophobicContact CD1-CG2 3.84Å; L312-I526 PolarHBondContact N-O 3.47Å; L490-I526 HydrophobicContact CD1-CD1 4.08Å; L490-I526 HydrophobicContact CG-CD1 3.8Å; I526-P544 HydrophobicContact CD1-CB 3.8Å; I526-A545 HydrophobicContact CG1-CB 4.47Å; I526-A545 HydrophobicContact CG2-CB 4.45Å; I526-A548 HydrophobicContact CB-CB 3.87Å; I526-A548 HydrophobicContact CD1-CB 4.36Å; I526-A548 HydrophobicContact CG1-CB 4.35Å; I526-A548 HydrophobicContact CG2-CB 4.4Å |
| 527 | C | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.7 | -174.6 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | L312 L490 R491 S492 Y529 | L312-C527 HydrophobicContact CB-CB 4.32Å; L312-C527 HydrophobicContact CD2-CB 4.26Å; L490-C527 PolarHBondContact O-N 2.95Å; R491-C527 CarbonylContact C-O 3.57Å; R491-C527 WeakPolarHBondContact CA-O 3.42Å; S492-C527 PolarHBondContact N-O 3.15Å; S492-C527 PolarHBondContact OG-O 3.49Å; C527-Y529 HydrophobicContact CB-CD2 3.6Å; C527-Y529 HydrophobicContact CB-CE1 4.44Å; C527-Y529 HydrophobicContact CB-CE2 3.16Å; C527-Y529 HydrophobicContact CB-CG 4.41Å; C527-Y529 PolarHBondContact O-N 2.81Å |
| 528 | D | 93.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.011 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 75 | 172.6 | -167 | 2 | 0 | 0 | 0 | 109.9 | L312 L313 D314 R319 H538 S541 | L312-D528 PolarHBondContact O-N 2.8Å; L313-D528 HydrophobicContact CD2-CB 4.28Å; D314-D528 WeakPolarHBondContact CB-O 3.37Å; D314-D528 PolarHBondContact N-O 2.78Å; R319-D528 IonicContact CZ-OD1 2.81Å; R319-D528 IonicContact NH1-OD1 3.56Å; R319-D528 PolarHBondContact NH1-OD1 2.87Å; R319-D528 PolarHBondContact NH2-O 2.77Å; R319-D528 VanDerWaalsContact NH2-O 3.07Å; R319-D528 IonicContact NH2-OD1 3.33Å; R319-D528 PolarHBondContact NH2-OD1 2.87Å; R319-D528 IonicContact NH2-OD2 2.89Å; D528-H538 IonicContact OD2-CE1 3.09Å; D528-H538 IonicContact OD2-ND1 2.81Å; D528-H538 PolarHBondContact OD2-ND1 3.39Å; D528-S541 VanDerWaalsContact OD2-CB 3.32Å; D528-S541 WeakPolarHBondContact OD2-CB 3.3Å; D528-S541 PolarHBondContact OD2-OG 3.14Å |
| 529 | Y | 89.1 | Confident | 88.6 | Confident | 35 Ų | 35 | 19.3 Ų | 19.3 | 14% | 0.137 | 13% | 0.131 | C | C | . | . | trans | -69.8 | 150.1 | -179.8 | -70.5 | -68.6 | 0 | 0 | 0 | 112.5 | L312 D314 R319 R491 C527 T531 | L312-Y529 HydrophobicContact CD2-CD1 4.4Å; L312-Y529 HydrophobicContact CD2-CE1 4.02Å; D314-Y529 HydrophobicContact CB-CD1 3.99Å; R319-Y529 PolarHBondContact NH2-O 3.28Å; R491-Y529 HydrophobicContact CG-CD2 3.86Å; R491-Y529 HydrophobicContact CG-CE2 3.92Å; C527-Y529 HydrophobicContact CB-CD2 3.6Å; C527-Y529 HydrophobicContact CB-CE1 4.44Å; C527-Y529 HydrophobicContact CB-CE2 3.16Å; C527-Y529 HydrophobicContact CB-CG 4.41Å; C527-Y529 PolarHBondContact O-N 2.81Å; Y529-T531 PolarHBondContact O-N 2.86Å | ||
| 530 | S | 79.8 | Confident | 89.5 | Confident | 25 Ų | 25 | 15.1 Ų | 15.1 | 18% | 0.175 | 10% | 0.095 | C | C | . | . | trans | -70.7 | 128.8 | 163.4 | -179 | 0 | 0 | 0 | 0 | 109.4 | D314 G532 E534 | D314-S530 PolarHBondContact OD2-N 3.18Å; S530-G532 VanDerWaalsContact C-N 3.3Å; S530-G532 PolarHBondContact OG-N 3.37Å; S530-E534 PolarHBondContact OG-OE1 3.21Å | ||
| 531 | T | 71.6 | Confident | 89.7 | Confident | 50 Ų | 50 | 14 Ų | 14 | 31% | 0.307 | 9% | 0.089 | S | C | . | . | trans | -86.7 | -2.8 | 178.7 | 59 | 0 | 0 | 0 | 0 | 112.7 | Y529 C533 | Y529-T531 PolarHBondContact O-N 2.86Å; T531-C533 PolarHBondContact O-N 3.06Å; T531-C533 PolarHBondContact OG1-N 2.78Å; T531-C533 PolarHBondContact OG1-O 2.87Å | ||
| 532 | G | 72.6 | Confident | 89.9 | Confident | 47 Ų | 47 | 13.1 Ų | 13.1 | 49% | 0.485 | 8% | 0.084 | S | C | . | . | S | Bend | trans | 72.9 | -6.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S530 | S530-G532 VanDerWaalsContact C-N 3.3Å; S530-G532 PolarHBondContact OG-N 3.37Å |
| 533 | C | 82.6 | Confident | 90 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | trans | -103 | 90.1 | 169.5 | -166.8 | 0 | 0 | 0 | 0 | 109.1 | F498 T531 I535 V536 M756 | F498-C533 HydrophobicContact CE1-CB 4.22Å; F498-C533 VanDerWaalsContact CE1-SG 3.56Å; T531-C533 PolarHBondContact O-N 3.06Å; T531-C533 PolarHBondContact OG1-N 2.78Å; T531-C533 PolarHBondContact OG1-O 2.87Å; C533-I535 PolarHBondContact O-N 2.93Å; C533-V536 WeakPolarHBondContact O-CG2 3.47Å; C533-V536 PolarHBondContact O-N 3.01Å; C533-V536 VanDerWaalsContact O-N 3.09Å; C533-M756 HydrophobicContact CB-SD 4.45Å; C533-M756 PolarHBondContact SG-SD 3.03Å | ||
| 534 | E | 85 | Confident | 90 | Very high | 14 Ų | 14 | 11.4 Ų | 11.4 | 7% | 0.065 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -2.7 | -169.6 | -56.7 | -63.6 | 168.2 | 0 | 0 | 114.5 | C318 R319 S530 V536 F737 W741 A753 M756 | C318-E534 VanDerWaalsContact CB-CD 3.45Å; C318-E534 HydrophobicContact CB-CG 3.88Å; C318-E534 WeakPolarHBondContact CB-OE1 3.21Å; C318-E534 PolarHBondContact N-OE1 3.32Å; C318-E534 PolarHBondContact SG-OE1 3.01Å; R319-E534 WeakPolarHBondContact CB-OE2 3.35Å; R319-E534 PolarHBondContact N-OE2 3.42Å; S530-E534 PolarHBondContact OG-OE1 3.21Å; E534-V536 PolarHBondContact O-N 3.38Å; E534-F737 HydrophobicContact CB-CZ 4.48Å; E534-F737 VanDerWaalsContact O-CE2 3.31Å; E534-F737 WeakPolarHBondContact O-CE2 3.24Å; E534-F737 WeakPolarHBondContact O-CZ 3.49Å; E534-W741 HydrophobicContact CB-CH2 4.1Å; E534-W741 HydrophobicContact CB-CZ3 4Å; E534-W741 WeakPolarHBondContact O-CZ3 3.44Å; E534-A753 HydrophobicContact CB-CB 4.03Å; E534-A753 HydrophobicContact CG-CB 4.31Å; E534-M756 HydrophobicContact CB-CE 4.27Å |
| 535 | I | 89.7 | Confident | 90 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 3% | 0.026 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21 | 171.3 | -158.6 | 172 | 0 | 0 | 0 | 112.3 | F498 C533 P537 V681 M684 F737 M756 F757 | F498-I535 HydrophobicContact CE1-CG2 4.18Å; C533-I535 PolarHBondContact O-N 2.93Å; I535-P537 WeakPolarHBondContact O-CD 3.4Å; I535-V681 HydrophobicContact CG1-CG2 4.4Å; I535-M684 HydrophobicContact CD1-CB 3.34Å; I535-M684 HydrophobicContact CD1-CG 3.51Å; I535-F737 HydrophobicContact CG1-CD2 4.25Å; I535-F737 HydrophobicContact CG1-CE2 4.46Å; I535-M756 HydrophobicContact CB-CE 4.21Å; I535-F757 HydrophobicContact CD1-CZ 4.05Å; I535-F757 HydrophobicContact CG1-CZ 4.34Å |
| 536 | V | 91.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 11.3 Ų | 11.3 | 9% | 0.085 | 7% | 0.074 | C | C | . | . | trans | -68.8 | 107.4 | -177.2 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | R319 F498 C533 E534 L540 | R319-V536 PolarHBondContact NH1-O 3.4Å; F498-V536 HydrophobicContact CB-CG2 4.27Å; F498-V536 HydrophobicContact CD1-CG2 3.46Å; F498-V536 VanDerWaalsContact CD1-CG2 3.46Å; F498-V536 HydrophobicContact CE1-CG2 4.25Å; F498-V536 HydrophobicContact CG-CG2 4.27Å; C533-V536 WeakPolarHBondContact O-CG2 3.47Å; C533-V536 PolarHBondContact O-N 3.01Å; C533-V536 VanDerWaalsContact O-N 3.09Å; E534-V536 PolarHBondContact O-N 3.38Å; V536-L540 HydrophobicContact CG1-CD1 4.37Å | ||
| 537 | P | 92.1 | Very high | 89.9 | Confident | 16 Ų | 16 | 11.3 Ų | 11.3 | 10% | 0.104 | 7% | 0.074 | C | C | . | . | trans | -83.1 | 162.6 | -176.9 | 36.5 | -34.2 | 0 | 0 | 0 | 111.2 | I535 S539 L540 E677 V681 | I535-P537 WeakPolarHBondContact O-CD 3.4Å; P537-S539 PolarHBondContact O-N 3.4Å; P537-L540 HydrophobicContact CG-CD1 4.37Å; P537-L540 HydrophobicContact CG-CG 3.94Å; P537-L540 PolarHBondContact O-N 3.45Å; P537-E677 HydrophobicContact CB-CB 3.67Å; P537-E677 HydrophobicContact CB-CG 3.85Å; P537-E677 HydrophobicContact CG-CB 3.83Å; P537-V681 HydrophobicContact CG-CG2 4.23Å | ||
| 538 | H | 90.2 | Very high | 89.9 | Confident | 5 Ų | 5 | 11.4 Ų | 11.4 | 2% | 0.023 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -57.8 | -31.9 | 173.5 | -172.9 | 54.9 | 0 | 0 | 0 | 112.3 | Y321 I329 D528 L540 S541 F542 | Y321-H538 HydrophobicContact CE1-CB 4.38Å; Y321-H538 WeakPolarHBondContact OH-CB 3.4Å; I329-H538 WeakPolarHBondContact CG1-NE2 3.42Å; D528-H538 IonicContact OD2-CE1 3.09Å; D528-H538 IonicContact OD2-ND1 2.81Å; D528-H538 PolarHBondContact OD2-ND1 3.39Å; H538-L540 PolarHBondContact O-N 2.91Å; H538-S541 PolarHBondContact CE1-OG 3.17Å; H538-S541 VanDerWaalsContact CE1-OG 3.27Å; H538-S541 PolarHBondContact ND1-OG 3.27Å; H538-S541 VanDerWaalsContact ND1-OG 3.16Å; H538-S541 PolarHBondContact O-N 3.15Å; H538-S541 PolarHBondContact O-OG 2.88Å; H538-F542 AromaticContact CD2-CE1 3.39Å; H538-F542 WeakPolarHBondContact CD2-CE1 3.49Å; H538-F542 AromaticContact NE2-CE1 3.46Å; H538-F542 WeakPolarHBondContact NE2-CE1 3.43Å |
| 539 | S | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.007 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -56.7 | -22.5 | -179.9 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | P537 F542 C674 E677 | P537-S539 PolarHBondContact O-N 3.4Å; S539-F542 WeakPolarHBondContact O-CB 3.29Å; S539-F542 WeakPolarHBondContact O-CD2 3.37Å; S539-F542 WeakPolarHBondContact O-CG 3.39Å; S539-C674 WeakPolarHBondContact OG-CB 3.34Å; S539-C674 PolarHBondContact OG-SG 3.49Å; S539-C674 VanDerWaalsContact OG-SG 3.34Å; S539-E677 WeakPolarHBondContact CB-OE2 3.37Å; S539-E677 PolarHBondContact OG-OE2 3.28Å |
| 540 | L | 94.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 9.8 Ų | 9.8 | 4% | 0.037 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -80.2 | -18 | 175.5 | -62.2 | -173 | 0 | 0 | 0 | 113.8 | F498 C499 V536 P537 H538 F542 I587 M590 V678 V681 | F498-L540 HydrophobicContact CB-CD1 4.35Å; F498-L540 WeakPolarHBondContact O-CD1 3.1Å; C499-L540 HydrophobicContact CB-CD1 4.26Å; V536-L540 HydrophobicContact CG1-CD1 4.37Å; P537-L540 HydrophobicContact CG-CD1 4.37Å; P537-L540 HydrophobicContact CG-CG 3.94Å; P537-L540 PolarHBondContact O-N 3.45Å; H538-L540 PolarHBondContact O-N 2.91Å; L540-F542 VanDerWaalsContact C-N 3.31Å; L540-I587 HydrophobicContact CD2-CB 4.47Å; L540-I587 HydrophobicContact CD2-CD1 4Å; L540-I587 HydrophobicContact CD2-CG1 3.79Å; L540-I587 HydrophobicContact CD2-CG2 3.91Å; L540-M590 HydrophobicContact CD1-CE 3.88Å; L540-M590 HydrophobicContact CD2-CE 3.67Å; L540-M590 HydrophobicContact CG-CE 4.47Å; L540-V678 HydrophobicContact CD2-CG2 4.03Å; L540-V681 HydrophobicContact CD1-CG1 4.36Å; L540-V681 HydrophobicContact CD1-CG2 4.2Å |
| 541 | S | 93.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 8.8 Ų | 8.8 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.2 | 176.5 | 70.5 | 0 | 0 | 0 | 0 | 113.6 | D528 H538 P544 A545 | D528-S541 VanDerWaalsContact OD2-CB 3.32Å; D528-S541 WeakPolarHBondContact OD2-CB 3.3Å; D528-S541 PolarHBondContact OD2-OG 3.14Å; H538-S541 PolarHBondContact CE1-OG 3.17Å; H538-S541 VanDerWaalsContact CE1-OG 3.27Å; H538-S541 PolarHBondContact ND1-OG 3.27Å; H538-S541 VanDerWaalsContact ND1-OG 3.16Å; H538-S541 PolarHBondContact O-N 3.15Å; H538-S541 PolarHBondContact O-OG 2.88Å; S541-P544 WeakPolarHBondContact O-CD 3.5Å; S541-A545 VanDerWaalsContact O-CB 3.24Å; S541-A545 WeakPolarHBondContact O-CB 3.41Å; S541-A545 PolarHBondContact O-N 3.06Å |
| 542 | F | 94.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 6.4 Ų | 6.4 | 1% | 0.013 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 179.1 | -77 | -6.9 | 0 | 0 | 0 | 114.5 | M333 H538 S539 L540 A545 V546 L574 F584 | M333-F542 HydrophobicContact CE-CD1 4.41Å; H538-F542 AromaticContact CD2-CE1 3.39Å; H538-F542 WeakPolarHBondContact CD2-CE1 3.49Å; H538-F542 AromaticContact NE2-CE1 3.46Å; H538-F542 WeakPolarHBondContact NE2-CE1 3.43Å; S539-F542 WeakPolarHBondContact O-CB 3.29Å; S539-F542 WeakPolarHBondContact O-CD2 3.37Å; S539-F542 WeakPolarHBondContact O-CG 3.39Å; L540-F542 VanDerWaalsContact C-N 3.31Å; F542-A545 PolarHBondContact O-N 3.35Å; F542-V546 WeakPolarHBondContact O-CB 3.24Å; F542-V546 VanDerWaalsContact O-CG2 3.28Å; F542-V546 WeakPolarHBondContact O-CG2 3.42Å; F542-V546 PolarHBondContact O-N 3.17Å; F542-L574 HydrophobicContact CB-CD1 3.44Å; F542-L574 VanDerWaalsContact CB-CD1 3.44Å; F542-L574 HydrophobicContact CD1-CD1 4.2Å; F542-L574 HydrophobicContact CD2-CD1 3.86Å; F542-L574 HydrophobicContact CG-CD1 3.58Å; F542-F584 HydrophobicContact CB-CE1 3.99Å; F542-F584 HydrophobicContact CD2-CE1 4.06Å; F542-F584 HydrophobicContact CD2-CZ 4.27Å |
| 543 | L | 96.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 4.2 Ų | 4.2 | 2% | 0.016 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.6 | -48.8 | -179.3 | -73.7 | 172.5 | 0 | 0 | 0 | 112.7 | A545 T547 L566 A570 F584 I587 L588 | L543-A545 VanDerWaalsContact C-N 3.33Å; L543-A545 PolarHBondContact O-N 3.08Å; L543-T547 VanDerWaalsContact O-CB 3.32Å; L543-T547 WeakPolarHBondContact O-CB 3.47Å; L543-T547 PolarHBondContact O-N 2.9Å; L543-T547 PolarHBondContact O-OG1 3.46Å; L543-L566 HydrophobicContact CD2-CD1 3.74Å; L543-L566 HydrophobicContact CD2-CD2 4.15Å; L543-L566 HydrophobicContact CD2-CG 3.75Å; L543-A570 HydrophobicContact CD2-CB 3.65Å; L543-F584 HydrophobicContact CD1-CB 4.4Å; L543-F584 HydrophobicContact CD1-CD1 4.27Å; L543-F584 HydrophobicContact CD2-CB 4.11Å; L543-F584 HydrophobicContact CD2-CD1 3.74Å; L543-F584 HydrophobicContact CD2-CG 4.24Å; L543-F584 HydrophobicContact CG-CD1 3.78Å; L543-I587 HydrophobicContact CD1-CB 4.12Å; L543-I587 HydrophobicContact CD1-CG2 3.83Å; L543-L588 HydrophobicContact CD1-CD2 3.77Å; L543-L588 HydrophobicContact CD1-CG 3.81Å |
| 544 | P | 95.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 4.4 Ų | 4.4 | 2% | 0.019 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -56.2 | -43.1 | 170.9 | -22.9 | 27.5 | 0 | 0 | 0 | 113.4 | S492 L505 I526 S541 T547 A548 | S492-P544 WeakPolarHBondContact O-CG 3.33Å; L505-P544 HydrophobicContact CD2-CB 4.12Å; L505-P544 HydrophobicContact CD2-CG 4.2Å; I526-P544 HydrophobicContact CD1-CB 3.8Å; S541-P544 WeakPolarHBondContact O-CD 3.5Å; P544-T547 PolarHBondContact O-N 3.08Å; P544-A548 VanDerWaalsContact O-CB 3.27Å; P544-A548 WeakPolarHBondContact O-CB 3.3Å; P544-A548 PolarHBondContact O-N 2.73Å |
| 545 | A | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 4.6 Ų | 4.6 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.7 | -47.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | M333 I526 S541 F542 L543 T547 A548 L549 | M333-A545 HydrophobicContact CE-CB 3.97Å; M333-A545 HydrophobicContact SD-CB 3.93Å; I526-A545 HydrophobicContact CG1-CB 4.47Å; I526-A545 HydrophobicContact CG2-CB 4.45Å; S541-A545 VanDerWaalsContact O-CB 3.24Å; S541-A545 WeakPolarHBondContact O-CB 3.41Å; S541-A545 PolarHBondContact O-N 3.06Å; F542-A545 PolarHBondContact O-N 3.35Å; L543-A545 VanDerWaalsContact C-N 3.33Å; L543-A545 PolarHBondContact O-N 3.08Å; A545-T547 VanDerWaalsContact C-N 3.26Å; A545-T547 PolarHBondContact O-N 2.68Å; A545-A548 PolarHBondContact O-N 3.24Å; A545-L549 VanDerWaalsContact O-CB 3.3Å; A545-L549 WeakPolarHBondContact O-CB 3.39Å; A545-L549 VanDerWaalsContact O-CG 3.29Å; A545-L549 WeakPolarHBondContact O-CG 3.19Å; A545-L549 PolarHBondContact O-N 3.11Å |
| 546 | V | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -55.6 | -45.5 | 174.4 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | W161 L336 F542 G550 L566 I569 A570 L574 | W161-V546 PolarHBondContact NE1-O 3.49Å; L336-V546 HydrophobicContact CD1-CG2 3.74Å; F542-V546 WeakPolarHBondContact O-CB 3.24Å; F542-V546 VanDerWaalsContact O-CG2 3.28Å; F542-V546 WeakPolarHBondContact O-CG2 3.42Å; F542-V546 PolarHBondContact O-N 3.17Å; V546-G550 PolarHBondContact O-N 2.79Å; V546-G550 VanDerWaalsContact O-N 3.1Å; V546-L566 HydrophobicContact CG1-CD1 4.28Å; V546-I569 HydrophobicContact CG1-CG2 4.01Å; V546-A570 HydrophobicContact CG2-CB 4.46Å; V546-L574 HydrophobicContact CG2-CD1 3.64Å; V546-L574 HydrophobicContact CG2-CD2 4.26Å; V546-L574 HydrophobicContact CG2-CG 4Å |
| 547 | T | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.012 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.6 | -52.3 | -179.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | C509 L543 P544 A545 G550 M551 F562 F563 | C509-T547 WeakPolarHBondContact SG-CG2 2.99Å; L543-T547 VanDerWaalsContact O-CB 3.32Å; L543-T547 WeakPolarHBondContact O-CB 3.47Å; L543-T547 PolarHBondContact O-N 2.9Å; L543-T547 PolarHBondContact O-OG1 3.46Å; P544-T547 PolarHBondContact O-N 3.08Å; A545-T547 VanDerWaalsContact C-N 3.26Å; A545-T547 PolarHBondContact O-N 2.68Å; T547-G550 PolarHBondContact O-N 2.93Å; T547-M551 WeakPolarHBondContact O-CB 3.14Å; T547-M551 WeakPolarHBondContact O-CG 3.23Å; T547-M551 PolarHBondContact O-N 3.29Å; T547-F562 HydrophobicContact CG2-CE1 3.84Å; T547-F562 HydrophobicContact CG2-CZ 4.35Å; T547-F563 HydrophobicContact CG2-CZ 4.17Å |
| 548 | A | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 2% | 0.017 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.9 | -48.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L490 I526 P544 A545 G550 M551 A552 | L490-A548 HydrophobicContact CD1-CB 4.05Å; L490-A548 HydrophobicContact CD2-CB 4.08Å; L490-A548 HydrophobicContact CG-CB 4.47Å; I526-A548 HydrophobicContact CB-CB 3.87Å; I526-A548 HydrophobicContact CD1-CB 4.36Å; I526-A548 HydrophobicContact CG1-CB 4.35Å; I526-A548 HydrophobicContact CG2-CB 4.4Å; P544-A548 VanDerWaalsContact O-CB 3.27Å; P544-A548 WeakPolarHBondContact O-CB 3.3Å; P544-A548 PolarHBondContact O-N 2.73Å; A545-A548 PolarHBondContact O-N 3.24Å; A548-G550 VanDerWaalsContact C-N 3.31Å; A548-G550 PolarHBondContact O-N 3.39Å; A548-M551 PolarHBondContact O-N 3.17Å; A548-A552 VanDerWaalsContact O-CB 3.31Å; A548-A552 WeakPolarHBondContact O-CB 3.29Å; A548-A552 PolarHBondContact O-N 3.3Å |
| 549 | L | 96.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.6 | -37.5 | -179.6 | -66.9 | 173.4 | 0 | 0 | 0 | 111.3 | R309 M333 L336 A338 A545 A552 W553 | R309-L549 HydrophobicContact CB-CD2 4.18Å; M333-L549 HydrophobicContact CB-CD1 4.37Å; M333-L549 HydrophobicContact SD-CD1 3.76Å; L336-L549 HydrophobicContact CB-CB 4.43Å; L336-L549 HydrophobicContact CB-CD1 3.95Å; L336-L549 HydrophobicContact CD1-CD1 4.22Å; A338-L549 HydrophobicContact CB-CD1 3.98Å; A338-L549 HydrophobicContact CB-CD2 3.8Å; A545-L549 VanDerWaalsContact O-CB 3.3Å; A545-L549 WeakPolarHBondContact O-CB 3.39Å; A545-L549 VanDerWaalsContact O-CG 3.29Å; A545-L549 WeakPolarHBondContact O-CG 3.19Å; A545-L549 PolarHBondContact O-N 3.11Å; L549-A552 PolarHBondContact O-N 3Å; L549-W553 PolarHBondContact O-N 3.29Å |
| 550 | G | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63 | -47.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V546 T547 A548 A552 W553 N554 | V546-G550 PolarHBondContact O-N 2.79Å; V546-G550 VanDerWaalsContact O-N 3.1Å; T547-G550 PolarHBondContact O-N 2.93Å; A548-G550 VanDerWaalsContact C-N 3.31Å; A548-G550 PolarHBondContact O-N 3.39Å; G550-A552 VanDerWaalsContact C-N 3.31Å; G550-A552 PolarHBondContact O-N 2.84Å; G550-W553 PolarHBondContact O-N 2.97Å; G550-N554 PolarHBondContact O-N 3.03Å |
| 551 | M | 95 | Very high | 94.2 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.3 | -34.8 | 175.9 | -73.9 | -63.5 | -66.7 | 0 | 0 | 112.9 | C509 K513 T547 A548 W553 N554 C555 V557 L559 | C509-M551 HydrophobicContact CB-CE 4.08Å; C509-M551 HydrophobicContact CB-CG 4.29Å; C509-M551 HydrophobicContact CB-SD 4.36Å; K513-M551 HydrophobicContact CB-CE 4.02Å; T547-M551 WeakPolarHBondContact O-CB 3.14Å; T547-M551 WeakPolarHBondContact O-CG 3.23Å; T547-M551 PolarHBondContact O-N 3.29Å; A548-M551 PolarHBondContact O-N 3.17Å; M551-W553 VanDerWaalsContact C-N 3.34Å; M551-N554 CarbonylContact O-C 3.59Å; M551-N554 VanDerWaalsContact O-C 3.23Å; M551-C555 WeakPolarHBondContact O-CA 3.33Å; M551-C555 PolarHBondContact O-N 3Å; M551-V557 HydrophobicContact SD-CB 4.17Å; M551-L559 HydrophobicContact CE-CD2 4.05Å; M551-L559 HydrophobicContact SD-CD2 3.77Å |
| 552 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.1 | -34 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q306 R309 A548 L549 G550 | Q306-A552 HydrophobicContact CB-CB 4.46Å; Q306-A552 WeakPolarHBondContact CB-O 3.29Å; Q306-A552 PolarHBondContact N-O 3.47Å; Q306-A552 VanDerWaalsContact OE1-CA 3.27Å; R309-A552 HydrophobicContact CB-CB 4.4Å; R309-A552 HydrophobicContact CG-CB 3.78Å; A548-A552 VanDerWaalsContact O-CB 3.31Å; A548-A552 WeakPolarHBondContact O-CB 3.29Å; A548-A552 PolarHBondContact O-N 3.3Å; L549-A552 PolarHBondContact O-N 3Å; G550-A552 VanDerWaalsContact C-N 3.31Å; G550-A552 PolarHBondContact O-N 2.84Å |
| 553 | W | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.4 | -50.5 | 171.9 | -174.5 | -88.7 | 0 | 0 | 0 | 112 | P162 Q165 Y250 Y271 D302 P304 S305 K337 L549 G550 M551 | P162-W553 HydrophobicContact CB-CB 3.5Å; P162-W553 VanDerWaalsContact CB-CB 3.5Å; P162-W553 HydrophobicContact CB-CG 3.56Å; P162-W553 HydrophobicContact CG-CB 3.78Å; P162-W553 HydrophobicContact CG-CG 3.97Å; Q165-W553 PolarHBondContact NE2-O 3.23Å; Y250-W553 HydrophobicContact CE1-CH2 4.28Å; Y250-W553 AromaticContact CE1-CZ2 3.91Å; Y250-W553 HydrophobicContact CE1-CZ2 3.91Å; Y271-W553 AromaticContact CD2-CH2 3.54Å; Y271-W553 HydrophobicContact CD2-CH2 3.54Å; Y271-W553 AromaticContact CD2-CZ3 3.63Å; Y271-W553 HydrophobicContact CD2-CZ3 3.63Å; Y271-W553 HydrophobicContact CE2-CH2 4.17Å; Y271-W553 AromaticContact CE2-CZ3 3.83Å; Y271-W553 HydrophobicContact CE2-CZ3 3.83Å; Y271-W553 AromaticContact CG-CH2 3.97Å; Y271-W553 HydrophobicContact CG-CH2 3.97Å; Y271-W553 HydrophobicContact CG-CZ3 4.11Å; D302-W553 HydrophobicContact CB-CZ2 4.42Å; D302-W553 PolarHBondContact OD1-NE1 3.25Å; D302-W553 WeakPolarHBondContact OD2-CZ2 3.49Å; D302-W553 PolarHBondContact OD2-NE1 3.37Å; P304-W553 HydrophobicContact CB-CD2 4.32Å; P304-W553 HydrophobicContact CB-CE3 3.75Å; P304-W553 HydrophobicContact CB-CH2 4.31Å; P304-W553 HydrophobicContact CB-CZ3 3.74Å; P304-W553 HydrophobicContact CG-CH2 4.42Å; P304-W553 HydrophobicContact CG-CZ3 4.15Å; S305-W553 VanDerWaalsContact CB-O 3.31Å; S305-W553 WeakPolarHBondContact CB-O 3.39Å; S305-W553 PolarHBondContact N-O 3.01Å; S305-W553 PolarHBondContact OG-O 2.84Å; K337-W553 HydrophobicContact CB-CD2 4.42Å; K337-W553 HydrophobicContact CB-CE3 3.68Å; K337-W553 HydrophobicContact CB-CZ3 3.87Å; K337-W553 HydrophobicContact CD-CD2 3.53Å; K337-W553 HydrophobicContact CD-CE3 3.44Å; K337-W553 VanDerWaalsContact CD-CE3 3.44Å; K337-W553 HydrophobicContact CD-CG 4.33Å; K337-W553 HydrophobicContact CD-CH2 3.61Å; K337-W553 HydrophobicContact CD-CZ2 3.66Å; K337-W553 HydrophobicContact CD-CZ3 3.49Å; K337-W553 VanDerWaalsContact CD-CZ3 3.49Å; K337-W553 HydrophobicContact CG-CE3 4.23Å; K337-W553 HydrophobicContact CG-CZ3 4.27Å; L549-W553 PolarHBondContact O-N 3.29Å; G550-W553 PolarHBondContact O-N 2.97Å; M551-W553 VanDerWaalsContact C-N 3.34Å |
| 554 | N | 95.8 | Very high | 94 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | trans | -131.3 | 102.2 | 178.4 | -175.6 | -6.4 | 0 | 0 | 0 | 110.8 | Q163 P164 S305 G550 M551 Q556 V557 | Q163-N554 WeakPolarHBondContact O-CB 3.4Å; Q163-N554 PolarHBondContact O-ND2 2.85Å; P164-N554 PolarHBondContact O-ND2 2.73Å; S305-N554 WeakPolarHBondContact OG-CA 3.43Å; G550-N554 PolarHBondContact O-N 3.03Å; M551-N554 CarbonylContact O-C 3.59Å; M551-N554 VanDerWaalsContact O-C 3.23Å; N554-Q556 VanDerWaalsContact C-N 3.26Å; N554-Q556 PolarHBondContact O-N 3.23Å; N554-Q556 PolarHBondContact OD1-N 3.05Å; N554-V557 HydrophobicContact CB-CG2 4.03Å; N554-V557 WeakPolarHBondContact O-CG2 3.45Å | ||
| 555 | C | 92 | Very high | 93.8 | Very high | 18 Ų | 18 | 26.2 Ų | 26.2 | 12% | 0.122 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.6 | 179.5 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | S305 K513 M551 | S305-C555 PolarHBondContact OG-N 2.75Å; K513-C555 VanDerWaalsContact CD-O 3.23Å; K513-C555 WeakPolarHBondContact CD-O 3.33Å; K513-C555 WeakPolarHBondContact CE-O 3.14Å; K513-C555 VanDerWaalsContact CG-O 3.29Å; K513-C555 WeakPolarHBondContact CG-O 3.45Å; M551-C555 WeakPolarHBondContact O-CA 3.33Å; M551-C555 PolarHBondContact O-N 3Å |
| 556 | Q | 91.5 | Very high | 93.7 | Very high | 109 Ų | 109 | 26.2 Ų | 26.2 | 51% | 0.509 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.1 | -178.8 | -62.2 | -54 | -37.4 | 0 | 0 | 113.8 | K513 N554 | K513-Q556 PolarHBondContact NZ-O 2.84Å; N554-Q556 VanDerWaalsContact C-N 3.26Å; N554-Q556 PolarHBondContact O-N 3.23Å; N554-Q556 PolarHBondContact OD1-N 3.05Å |
| 557 | V | 91.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | trans | -47.7 | 140 | 176.6 | 175 | 0 | 0 | 0 | 0 | 111.6 | W161 Q163 K513 M551 N554 L559 F562 | W161-V557 HydrophobicContact CH2-CG1 4.11Å; W161-V557 HydrophobicContact CH2-CG2 4.27Å; W161-V557 HydrophobicContact CZ3-CG1 4.19Å; W161-V557 HydrophobicContact CZ3-CG2 4.37Å; Q163-V557 HydrophobicContact CB-CG2 3.88Å; K513-V557 PolarHBondContact NZ-O 2.82Å; M551-V557 HydrophobicContact SD-CB 4.17Å; N554-V557 HydrophobicContact CB-CG2 4.03Å; N554-V557 WeakPolarHBondContact O-CG2 3.45Å; V557-L559 PolarHBondContact O-N 3.4Å; V557-F562 HydrophobicContact CG1-CB 3.77Å; V557-F562 HydrophobicContact CG1-CG 4.3Å | ||
| 558 | D | 92.1 | Very high | 93.4 | Very high | 81 Ų | 81 | 27.9 Ų | 27.9 | 43% | 0.433 | 15% | 0.147 | S | C | . | . | trans | -73.7 | 110.3 | 167.5 | -176.6 | -30.2 | 0 | 0 | 0 | 108.6 | D560 Q561 F562 | D558-D560 PolarHBondContact OD1-N 3.41Å; D558-Q561 HydrophobicContact CB-CB 3.99Å; D558-Q561 PolarHBondContact OD1-N 3Å; D558-Q561 VanDerWaalsContact OD1-N 3.1Å; D558-F562 VanDerWaalsContact O-CB 3.24Å; D558-F562 WeakPolarHBondContact O-CB 3.49Å; D558-F562 PolarHBondContact O-N 3.1Å | ||
| 559 | L | 91.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 15% | 0.152 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | -174.7 | -61.4 | -177.8 | 0 | 0 | 0 | 111.7 | C509 A510 M551 V557 Q561 F562 F563 | C509-L559 HydrophobicContact CB-CD1 4.02Å; C509-L559 HydrophobicContact CB-CD2 3.64Å; A510-L559 HydrophobicContact CB-CD1 4.23Å; M551-L559 HydrophobicContact CE-CD2 4.05Å; M551-L559 HydrophobicContact SD-CD2 3.77Å; V557-L559 PolarHBondContact O-N 3.4Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; L559-Q561 PolarHBondContact O-N 3.35Å; L559-F562 PolarHBondContact O-N 2.7Å; L559-F563 HydrophobicContact CB-CD2 4.29Å; L559-F563 HydrophobicContact CB-CE2 4.38Å; L559-F563 HydrophobicContact CD2-CE2 4.41Å; L559-F563 WeakPolarHBondContact O-CD2 3.15Å; L559-F563 PolarHBondContact O-N 2.69Å |
| 560 | D | 91.4 | Very high | 93.2 | Very high | 143 Ų | 143 | 27.8 Ų | 27.8 | 77% | 0.765 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -64.9 | -44.6 | -177.2 | -66.5 | -27.8 | 0 | 0 | 0 | 110 | D558 S564 | D558-D560 PolarHBondContact OD1-N 3.41Å; D560-S564 PolarHBondContact O-N 2.63Å |
| 561 | Q | 89.8 | Confident | 92.9 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 23% | 0.229 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 173.8 | -174.5 | 177.9 | 37.7 | 0 | 0 | 111.6 | D558 L559 S564 L565 | D558-Q561 HydrophobicContact CB-CB 3.99Å; D558-Q561 PolarHBondContact OD1-N 3Å; D558-Q561 VanDerWaalsContact OD1-N 3.1Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; L559-Q561 PolarHBondContact O-N 3.35Å; Q561-S564 PolarHBondContact O-N 3.21Å; Q561-S564 PolarHBondContact O-OG 3.49Å; Q561-L565 HydrophobicContact CG-CD1 4.49Å; Q561-L565 PolarHBondContact O-N 3.18Å |
| 562 | F | 93 | Very high | 92.6 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | -178.7 | 168 | -113.9 | 0 | 0 | 0 | 112.3 | W161 T547 V557 D558 L559 S564 L565 L566 I569 | W161-F562 HydrophobicContact CD2-CE2 4.07Å; W161-F562 AromaticContact CE2-CE2 3.68Å; W161-F562 AromaticContact CE3-CD2 3.98Å; W161-F562 HydrophobicContact CE3-CD2 3.98Å; W161-F562 AromaticContact CE3-CE2 3.96Å; W161-F562 HydrophobicContact CE3-CE2 3.96Å; W161-F562 HydrophobicContact CH2-CD1 4.23Å; W161-F562 AromaticContact CH2-CD2 3.11Å; W161-F562 HydrophobicContact CH2-CD2 3.11Å; W161-F562 HydrophobicContact CH2-CE1 4.2Å; W161-F562 AromaticContact CH2-CE2 3.07Å; W161-F562 HydrophobicContact CH2-CE2 3.07Å; W161-F562 AromaticContact CH2-CG 3.7Å; W161-F562 HydrophobicContact CH2-CG 3.7Å; W161-F562 AromaticContact CH2-CZ 3.63Å; W161-F562 HydrophobicContact CH2-CZ 3.63Å; W161-F562 AromaticContact CZ2-CD2 3.76Å; W161-F562 HydrophobicContact CZ2-CD2 3.76Å; W161-F562 HydrophobicContact CZ2-CE1 4.27Å; W161-F562 AromaticContact CZ2-CE2 3.16Å; W161-F562 HydrophobicContact CZ2-CE2 3.16Å; W161-F562 HydrophobicContact CZ2-CG 4.49Å; W161-F562 AromaticContact CZ2-CZ 3.43Å; W161-F562 HydrophobicContact CZ2-CZ 3.43Å; W161-F562 VanDerWaalsContact CZ2-CZ 3.43Å; W161-F562 AromaticContact CZ3-CD2 3.23Å; W161-F562 HydrophobicContact CZ3-CD2 3.23Å; W161-F562 AromaticContact CZ3-CE2 3.49Å; W161-F562 HydrophobicContact CZ3-CE2 3.49Å; W161-F562 VanDerWaalsContact CZ3-CE2 3.49Å; W161-F562 HydrophobicContact CZ3-CG 4.05Å; W161-F562 HydrophobicContact CZ3-CZ 4.46Å; T547-F562 HydrophobicContact CG2-CE1 3.84Å; T547-F562 HydrophobicContact CG2-CZ 4.35Å; V557-F562 HydrophobicContact CG1-CB 3.77Å; V557-F562 HydrophobicContact CG1-CG 4.3Å; D558-F562 VanDerWaalsContact O-CB 3.24Å; D558-F562 WeakPolarHBondContact O-CB 3.49Å; D558-F562 PolarHBondContact O-N 3.1Å; L559-F562 PolarHBondContact O-N 2.7Å; F562-S564 PolarHBondContact O-N 3.03Å; F562-L565 CarbonylContact O-C 3.53Å; F562-L565 WeakPolarHBondContact O-CA 3.34Å; F562-L565 PolarHBondContact O-N 2.95Å; F562-L566 HydrophobicContact CE1-CD1 4.28Å; F562-L566 HydrophobicContact CE2-CD1 4.09Å; F562-L566 HydrophobicContact CZ-CB 4.43Å; F562-L566 HydrophobicContact CZ-CD1 3.6Å; F562-L566 HydrophobicContact CZ-CG 4.47Å; F562-L566 PolarHBondContact O-N 2.94Å; F562-I569 HydrophobicContact CD2-CD1 3.72Å; F562-I569 HydrophobicContact CE2-CD1 3.89Å |
| 563 | F | 93.5 | Very high | 92.3 | Very high | 36 Ų | 36 | 28.1 Ų | 28.1 | 16% | 0.158 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.8 | -26.7 | -179.4 | -79.3 | -72 | 0 | 0 | 0 | 112.7 | A502 L505 A506 T547 L559 L565 L566 | A502-F563 HydrophobicContact CB-CD1 4.41Å; L505-F563 HydrophobicContact CB-CE1 3.65Å; L505-F563 HydrophobicContact CB-CZ 3.86Å; A506-F563 HydrophobicContact CB-CD2 3.77Å; A506-F563 HydrophobicContact CB-CE1 4.41Å; A506-F563 HydrophobicContact CB-CE2 3.44Å; A506-F563 VanDerWaalsContact CB-CE2 3.44Å; A506-F563 HydrophobicContact CB-CG 4.45Å; A506-F563 HydrophobicContact CB-CZ 3.8Å; A506-F563 VanDerWaalsContact N-CZ 3.28Å; T547-F563 HydrophobicContact CG2-CZ 4.17Å; L559-F563 HydrophobicContact CB-CD2 4.29Å; L559-F563 HydrophobicContact CB-CE2 4.38Å; L559-F563 HydrophobicContact CD2-CE2 4.41Å; L559-F563 WeakPolarHBondContact O-CD2 3.15Å; L559-F563 PolarHBondContact O-N 2.69Å; F563-L565 PolarHBondContact O-N 2.76Å; F563-L566 HydrophobicContact CD1-CD2 3.73Å; F563-L566 HydrophobicContact CE1-CD2 3.84Å |
| 564 | S | 91.4 | Very high | 91.9 | Very high | 54 Ų | 54 | 28.6 Ų | 28.6 | 38% | 0.378 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67 | -25.2 | 171 | 80.4 | 0 | 0 | 0 | 0 | 113.5 | D560 Q561 F562 | D560-S564 PolarHBondContact O-N 2.63Å; Q561-S564 PolarHBondContact O-N 3.21Å; Q561-S564 PolarHBondContact O-OG 3.49Å; F562-S564 PolarHBondContact O-N 3.03Å |
| 565 | L | 92.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -107.9 | -9.7 | -178.2 | -64.6 | 178 | 0 | 0 | 0 | 113.7 | V149 L151 R158 M159 Q561 F562 F563 F568 I569 | V149-L565 HydrophobicContact CB-CD2 4.4Å; V149-L565 HydrophobicContact CG1-CD2 4.37Å; L151-L565 HydrophobicContact CD1-CD2 4.1Å; L151-L565 HydrophobicContact CD2-CD1 4.3Å; L151-L565 HydrophobicContact CD2-CD2 4.14Å; L151-L565 HydrophobicContact CG-CD2 4.16Å; R158-L565 HydrophobicContact CB-CD1 3.91Å; M159-L565 HydrophobicContact SD-CD1 4.48Å; M159-L565 HydrophobicContact SD-CD2 4.49Å; Q561-L565 HydrophobicContact CG-CD1 4.49Å; Q561-L565 PolarHBondContact O-N 3.18Å; F562-L565 CarbonylContact O-C 3.53Å; F562-L565 WeakPolarHBondContact O-CA 3.34Å; F562-L565 PolarHBondContact O-N 2.95Å; F563-L565 PolarHBondContact O-N 2.76Å; L565-F568 WeakPolarHBondContact O-CA 3.24Å; L565-F568 WeakPolarHBondContact O-CB 3.22Å; L565-F568 PolarHBondContact O-N 2.81Å; L565-I569 HydrophobicContact CB-CD1 3.8Å; L565-I569 HydrophobicContact CB-CG1 4.14Å; L565-I569 WeakPolarHBondContact O-CG1 3.49Å; L565-I569 PolarHBondContact O-N 3.05Å |
| 566 | L | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -49 | -47.6 | -171.5 | 168.2 | 63.9 | 0 | 0 | 0 | 113.8 | L505 L543 V546 F562 F563 F568 I569 A570 | L505-L566 HydrophobicContact CD1-CD2 4.46Å; L543-L566 HydrophobicContact CD2-CD1 3.74Å; L543-L566 HydrophobicContact CD2-CD2 4.15Å; L543-L566 HydrophobicContact CD2-CG 3.75Å; V546-L566 HydrophobicContact CG1-CD1 4.28Å; F562-L566 HydrophobicContact CE1-CD1 4.28Å; F562-L566 HydrophobicContact CE2-CD1 4.09Å; F562-L566 HydrophobicContact CZ-CB 4.43Å; F562-L566 HydrophobicContact CZ-CD1 3.6Å; F562-L566 HydrophobicContact CZ-CG 4.47Å; F562-L566 PolarHBondContact O-N 2.94Å; F563-L566 HydrophobicContact CD1-CD2 3.73Å; F563-L566 HydrophobicContact CE1-CD2 3.84Å; L566-F568 VanDerWaalsContact C-N 3.29Å; L566-F568 PolarHBondContact O-N 3.36Å; L566-I569 PolarHBondContact O-N 3.26Å; L566-A570 WeakPolarHBondContact O-CB 3.32Å; L566-A570 PolarHBondContact O-N 3.45Å |
| 567 | P | 94.4 | Very high | 90.6 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 7% | 0.071 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -37.3 | 178.9 | -23.7 | 34.8 | 0 | 0 | 0 | 113.3 | A571 F584 E585 L588 | P567-A571 WeakPolarHBondContact O-CB 3.5Å; P567-A571 PolarHBondContact O-N 3.22Å; P567-F584 HydrophobicContact CB-CB 3.93Å; P567-E585 HydrophobicContact CB-CG 3.66Å; P567-E585 HydrophobicContact CG-CG 3.92Å; P567-L588 HydrophobicContact CG-CD1 3.85Å |
| 568 | F | 91.4 | Very high | 90.1 | Very high | 27 Ų | 27 | 31.6 Ų | 31.6 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.2 | -42.8 | 177.3 | -57.7 | -79.1 | 0 | 0 | 0 | 111.1 | M159 L565 L566 A571 D572 R578 S581 | M159-F568 VanDerWaalsContact CE-C 3.49Å; M159-F568 HydrophobicContact CE-CB 3.64Å; M159-F568 HydrophobicContact SD-CB 4.19Å; L565-F568 WeakPolarHBondContact O-CA 3.24Å; L565-F568 WeakPolarHBondContact O-CB 3.22Å; L565-F568 PolarHBondContact O-N 2.81Å; L566-F568 VanDerWaalsContact C-N 3.29Å; L566-F568 PolarHBondContact O-N 3.36Å; F568-A571 PolarHBondContact O-N 2.78Å; F568-D572 VanDerWaalsContact O-CB 3.29Å; F568-D572 WeakPolarHBondContact O-CB 3.46Å; F568-D572 PolarHBondContact O-N 3.3Å; F568-R578 HydrophobicContact CB-CG 4.35Å; F568-R578 HydrophobicContact CD1-CG 3.92Å; F568-S581 VanDerWaalsContact CD1-CB 3.43Å; F568-S581 WeakPolarHBondContact CE1-OG 3.34Å |
| 569 | I | 93.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 177.5 | -69.4 | 171.7 | 0 | 0 | 0 | 109.5 | M159 W161 V546 F562 L565 L566 A571 D572 H573 | M159-I569 HydrophobicContact CE-CG1 3.95Å; M159-I569 HydrophobicContact SD-CG1 4.05Å; W161-I569 HydrophobicContact CB-CG2 3.6Å; W161-I569 HydrophobicContact CD2-CG2 3.89Å; W161-I569 HydrophobicContact CE3-CD1 4.1Å; W161-I569 HydrophobicContact CE3-CG2 4.42Å; W161-I569 HydrophobicContact CG-CG2 3.5Å; W161-I569 VanDerWaalsContact CG-CG2 3.5Å; V546-I569 HydrophobicContact CG1-CG2 4.01Å; F562-I569 HydrophobicContact CD2-CD1 3.72Å; F562-I569 HydrophobicContact CE2-CD1 3.89Å; L565-I569 HydrophobicContact CB-CD1 3.8Å; L565-I569 HydrophobicContact CB-CG1 4.14Å; L565-I569 WeakPolarHBondContact O-CG1 3.49Å; L565-I569 PolarHBondContact O-N 3.05Å; L566-I569 PolarHBondContact O-N 3.26Å; I569-A571 VanDerWaalsContact C-N 3.35Å; I569-A571 PolarHBondContact O-N 3.37Å; I569-D572 PolarHBondContact O-N 3.09Å; I569-H573 PolarHBondContact O-CD2 3.48Å; I569-H573 PolarHBondContact O-N 2.79Å |
| 570 | A | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L543 V546 L566 D572 L574 F584 | L543-A570 HydrophobicContact CD2-CB 3.65Å; V546-A570 HydrophobicContact CG2-CB 4.46Å; L566-A570 WeakPolarHBondContact O-CB 3.32Å; L566-A570 PolarHBondContact O-N 3.45Å; A570-D572 PolarHBondContact O-N 3.18Å; A570-L574 HydrophobicContact CB-CD1 4.39Å; A570-L574 WeakPolarHBondContact O-CB 3.38Å; A570-L574 WeakPolarHBondContact O-CG 3.21Å; A570-L574 PolarHBondContact O-N 3.05Å; A570-F584 HydrophobicContact CB-CB 4.48Å; A570-F584 HydrophobicContact CB-CD1 3.65Å; A570-F584 HydrophobicContact CB-CD2 4.02Å; A570-F584 HydrophobicContact CB-CE1 3.77Å; A570-F584 HydrophobicContact CB-CE2 4.18Å; A570-F584 HydrophobicContact CB-CG 3.75Å; A570-F584 HydrophobicContact CB-CZ 4.03Å |
| 571 | A | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P567 F568 I569 T575 N576 S577 M580 S581 F584 | P567-A571 WeakPolarHBondContact O-CB 3.5Å; P567-A571 PolarHBondContact O-N 3.22Å; F568-A571 PolarHBondContact O-N 2.78Å; I569-A571 VanDerWaalsContact C-N 3.35Å; I569-A571 PolarHBondContact O-N 3.37Å; A571-T575 WeakPolarHBondContact O-CA 3.45Å; A571-T575 WeakPolarHBondContact O-CB 3.49Å; A571-T575 PolarHBondContact O-N 2.95Å; A571-T575 PolarHBondContact O-OG1 3.29Å; A571-N576 PolarHBondContact O-N 3.43Å; A571-S577 CarbonylContact C-O 3.41Å; A571-S577 VanDerWaalsContact CB-O 3.27Å; A571-S577 WeakPolarHBondContact CB-O 3.19Å; A571-S577 VanDerWaalsContact O-O 3.07Å; A571-M580 VanDerWaalsContact CB-C 3.45Å; A571-M580 HydrophobicContact CB-CB 4.16Å; A571-S581 VanDerWaalsContact CB-N 3.29Å; A571-F584 HydrophobicContact CB-CD2 3.81Å; A571-F584 HydrophobicContact CB-CE2 3.94Å |
| 572 | D | 87.3 | Confident | 89.5 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.032 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -55.4 | -179 | -158 | 66.2 | 0 | 0 | 0 | 110.9 | M159 R281 L282 F568 I569 A570 N576 | M159-D572 HydrophobicContact CE-CB 4.29Å; R281-D572 VanDerWaalsContact CZ-O 3.22Å; R281-D572 IonicContact CZ-OD1 2.67Å; R281-D572 IonicContact CZ-OD2 2.67Å; R281-D572 PolarHBondContact NH1-O 3.13Å; R281-D572 IonicContact NH1-OD1 3.23Å; R281-D572 PolarHBondContact NH1-OD1 2.85Å; R281-D572 IonicContact NH1-OD2 2.78Å; R281-D572 PolarHBondContact NH1-OD2 2.92Å; R281-D572 PolarHBondContact NH2-O 3.48Å; R281-D572 IonicContact NH2-OD1 3.98Å; R281-D572 PolarHBondContact NH2-OD1 2.92Å; R281-D572 IonicContact NH2-OD2 2.78Å; L282-D572 VanDerWaalsContact CD2-OD2 3.23Å; L282-D572 WeakPolarHBondContact CD2-OD2 3.36Å; F568-D572 VanDerWaalsContact O-CB 3.29Å; F568-D572 WeakPolarHBondContact O-CB 3.46Å; F568-D572 PolarHBondContact O-N 3.3Å; I569-D572 PolarHBondContact O-N 3.09Å; A570-D572 PolarHBondContact O-N 3.18Å; D572-N576 VanDerWaalsContact O-CA 3.24Å; D572-N576 WeakPolarHBondContact O-CA 3.36Å; D572-N576 PolarHBondContact O-N 3.13Å; D572-N576 VanDerWaalsContact O-N 3.09Å |
| 573 | H | 90.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -79.7 | -25.9 | -171.1 | -64.4 | -64.9 | 0 | 0 | 0 | 114.9 | M159 W161 Q278 H335 L336 I569 | M159-H573 PolarHBondContact O-NE2 3.42Å; W161-H573 WeakPolarHBondContact CB-NE2 3.4Å; Q278-H573 PolarHBondContact OE1-CE1 3.29Å; H335-H573 AromaticContact NE2-ND1 3.78Å; L336-H573 HydrophobicContact CD2-CB 4.04Å; I569-H573 PolarHBondContact O-CD2 3.48Å; I569-H573 PolarHBondContact O-N 2.79Å |
| 574 | L | 89.3 | Confident | 89.7 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 5% | 0.047 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -99.7 | -28.6 | -177.5 | -59.9 | 176.4 | 0 | 0 | 0 | 113.7 | R332 L336 F542 V546 A570 F584 | R332-L574 HydrophobicContact CB-CD2 4.31Å; L336-L574 HydrophobicContact CD1-CD2 4.02Å; F542-L574 HydrophobicContact CB-CD1 3.44Å; F542-L574 VanDerWaalsContact CB-CD1 3.44Å; F542-L574 HydrophobicContact CD1-CD1 4.2Å; F542-L574 HydrophobicContact CD2-CD1 3.86Å; F542-L574 HydrophobicContact CG-CD1 3.58Å; V546-L574 HydrophobicContact CG2-CD1 3.64Å; V546-L574 HydrophobicContact CG2-CD2 4.26Å; V546-L574 HydrophobicContact CG2-CG 4Å; A570-L574 HydrophobicContact CB-CD1 4.39Å; A570-L574 WeakPolarHBondContact O-CB 3.38Å; A570-L574 WeakPolarHBondContact O-CG 3.21Å; A570-L574 PolarHBondContact O-N 3.05Å; L574-F584 HydrophobicContact CB-CZ 4.35Å; L574-F584 HydrophobicContact CD1-CE1 4.13Å; L574-F584 HydrophobicContact CD1-CZ 4.12Å |
| 575 | T | 85.7 | Confident | 89.9 | Confident | 13 Ų | 13 | 21.5 Ų | 21.5 | 8% | 0.08 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -113.1 | -7.6 | -176 | 79.9 | 0 | 0 | 0 | 0 | 113.6 | A571 S577 M580 F584 L671 | A571-T575 WeakPolarHBondContact O-CA 3.45Å; A571-T575 WeakPolarHBondContact O-CB 3.49Å; A571-T575 PolarHBondContact O-N 2.95Å; A571-T575 PolarHBondContact O-OG1 3.29Å; T575-S577 PolarHBondContact O-N 3.16Å; T575-S577 PolarHBondContact OG1-N 3.21Å; T575-S577 PolarHBondContact OG1-O 2.88Å; T575-M580 HydrophobicContact CG2-CB 4.38Å; T575-M580 WeakPolarHBondContact OG1-CB 3.46Å; T575-F584 HydrophobicContact CG2-CE2 3.8Å; T575-F584 HydrophobicContact CG2-CZ 3.98Å; T575-L671 HydrophobicContact CG2-CD1 3.74Å |
| 576 | N | 82.6 | Confident | 90.1 | Very high | 73 Ų | 73 | 21.3 Ų | 21.3 | 39% | 0.39 | 10% | 0.104 | S | C | . | . | S | Bend | trans | 59.4 | 15.7 | -170.8 | -62.7 | -61.2 | 0 | 0 | 0 | 114.4 | R281 A571 D572 | R281-N576 VanDerWaalsContact NH2-CA 3.26Å; R281-N576 PolarHBondContact NH2-O 3.48Å; A571-N576 PolarHBondContact O-N 3.43Å; D572-N576 VanDerWaalsContact O-CA 3.24Å; D572-N576 WeakPolarHBondContact O-CA 3.36Å; D572-N576 PolarHBondContact O-N 3.13Å; D572-N576 VanDerWaalsContact O-N 3.09Å |
| 577 | S | 82.3 | Confident | 90.2 | Very high | 19 Ų | 19 | 21.5 Ų | 21.5 | 13% | 0.133 | 11% | 0.105 | C | C | . | . | trans | -139.7 | 122.7 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | E287 A571 T575 M580 | E287-S577 PolarHBondContact OE1-OG 3.33Å; A571-S577 CarbonylContact C-O 3.41Å; A571-S577 VanDerWaalsContact CB-O 3.27Å; A571-S577 WeakPolarHBondContact CB-O 3.19Å; A571-S577 VanDerWaalsContact O-O 3.07Å; T575-S577 PolarHBondContact O-N 3.16Å; T575-S577 PolarHBondContact OG1-N 3.21Å; T575-S577 PolarHBondContact OG1-O 2.88Å; S577-M580 WeakPolarHBondContact O-CB 3.5Å; S577-M580 PolarHBondContact O-N 2.88Å | ||
| 578 | R | 82.7 | Confident | 90.3 | Very high | 95 Ų | 95 | 22.2 Ų | 22.2 | 36% | 0.358 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -75.4 | -23.3 | 174 | 170.1 | -166.7 | 67.2 | 142.6 | 1.6 | 113.2 | E287 F568 M580 S581 | E287-R578 VanDerWaalsContact CD-CB 3.41Å; E287-R578 HydrophobicContact CG-CB 4.15Å; E287-R578 VanDerWaalsContact OE1-C 3.31Å; E287-R578 VanDerWaalsContact OE1-CA 3.22Å; E287-R578 WeakPolarHBondContact OE1-CA 3.47Å; E287-R578 PolarHBondContact OE1-N 2.87Å; E287-R578 WeakPolarHBondContact OE2-CB 3.49Å; E287-R578 IonicContact OE2-CZ 3.48Å; E287-R578 IonicContact OE2-NE 3.77Å; E287-R578 PolarHBondContact OE2-NE 2.79Å; E287-R578 IonicContact OE2-NH2 3.68Å; E287-R578 PolarHBondContact OE2-NH2 3.35Å; F568-R578 HydrophobicContact CB-CG 4.35Å; F568-R578 HydrophobicContact CD1-CG 3.92Å; R578-M580 PolarHBondContact O-N 3.38Å; R578-M580 VanDerWaalsContact O-N 3.13Å; R578-S581 WeakPolarHBondContact O-CB 3.49Å; R578-S581 PolarHBondContact O-N 3.14Å |
| 579 | Q | 81.3 | Confident | 90.5 | Very high | 100 Ų | 100 | 23.2 Ų | 23.2 | 47% | 0.467 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -58.4 | -23.5 | 169.2 | -71.4 | 177.7 | 3.9 | 0 | 0 | 111.7 | E287 S581 | E287-Q579 WeakPolarHBondContact OE1-CG 3.35Å; E287-Q579 PolarHBondContact OE1-N 3Å; E287-Q579 PolarHBondContact OE2-N 3.38Å; Q579-S581 PolarHBondContact O-N 2.94Å |
| 580 | M | 87.1 | Confident | 90.7 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.02 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -76.3 | 8 | 173.1 | -68 | -56.6 | -61.1 | 0 | 0 | 114.4 | A571 T575 S577 R578 I582 L583 F584 M665 L671 V675 | A571-M580 VanDerWaalsContact CB-C 3.45Å; A571-M580 HydrophobicContact CB-CB 4.16Å; T575-M580 HydrophobicContact CG2-CB 4.38Å; T575-M580 WeakPolarHBondContact OG1-CB 3.46Å; S577-M580 WeakPolarHBondContact O-CB 3.5Å; S577-M580 PolarHBondContact O-N 2.88Å; R578-M580 PolarHBondContact O-N 3.38Å; R578-M580 VanDerWaalsContact O-N 3.13Å; M580-I582 PolarHBondContact O-N 3.5Å; M580-I582 VanDerWaalsContact O-N 3.15Å; M580-L583 HydrophobicContact CE-CB 3.79Å; M580-L583 HydrophobicContact CE-CD2 4.06Å; M580-L583 HydrophobicContact CE-CG 4.48Å; M580-L583 VanDerWaalsContact O-CB 3.31Å; M580-L583 WeakPolarHBondContact O-CB 3.28Å; M580-L583 PolarHBondContact O-N 2.98Å; M580-F584 WeakPolarHBondContact O-CD2 3.36Å; M580-M665 HydrophobicContact CE-CE 3.17Å; M580-M665 HydrophobicContact CE-SD 3.66Å; M580-M665 HydrophobicContact SD-CE 3.16Å; M580-M665 WeakPolarHBondContact SD-CE 3.36Å; M580-M665 HydrophobicContact SD-CG 3.86Å; M580-M665 HydrophobicContact SD-SD 3.37Å; M580-L671 HydrophobicContact CE-CD1 3.44Å; M580-L671 VanDerWaalsContact CE-CD1 3.44Å; M580-L671 HydrophobicContact CE-CD2 4.17Å; M580-L671 HydrophobicContact CE-CG 3.95Å; M580-L671 HydrophobicContact CG-CD1 3.95Å; M580-L671 HydrophobicContact CG-CD2 3.68Å; M580-L671 HydrophobicContact CG-CG 4.35Å; M580-L671 HydrophobicContact SD-CD1 4.19Å; M580-L671 HydrophobicContact SD-CD2 3.86Å; M580-L671 HydrophobicContact SD-CG 4.31Å; M580-V675 HydrophobicContact CE-CG2 3.75Å |
| 581 | S | 90.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 8% | 0.084 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.2 | -34.1 | 169.9 | 74 | 0 | 0 | 0 | 0 | 111.3 | F568 A571 R578 Q579 L583 F584 E585 | F568-S581 VanDerWaalsContact CD1-CB 3.43Å; F568-S581 WeakPolarHBondContact CE1-OG 3.34Å; A571-S581 VanDerWaalsContact CB-N 3.29Å; R578-S581 WeakPolarHBondContact O-CB 3.49Å; R578-S581 PolarHBondContact O-N 3.14Å; Q579-S581 PolarHBondContact O-N 2.94Å; S581-L583 PolarHBondContact O-N 2.86Å; S581-L583 VanDerWaalsContact O-N 3.16Å; S581-F584 PolarHBondContact O-N 3.44Å; S581-E585 WeakPolarHBondContact CB-OE1 3.31Å; S581-E585 WeakPolarHBondContact O-CG 3.37Å; S581-E585 PolarHBondContact O-N 3.25Å; S581-E585 PolarHBondContact OG-OE1 2.93Å |
| 582 | I | 92.7 | Very high | 91 | Very high | 35 Ų | 35 | 25.7 Ų | 25.7 | 18% | 0.179 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.4 | -35.4 | 174.9 | -167.2 | 72.7 | 0 | 0 | 0 | 113.2 | M580 T586 R657 A661 | M580-I582 PolarHBondContact O-N 3.5Å; M580-I582 VanDerWaalsContact O-N 3.15Å; I582-T586 VanDerWaalsContact O-CB 3.22Å; I582-T586 WeakPolarHBondContact O-CB 3.3Å; I582-T586 PolarHBondContact O-N 3.12Å; I582-T586 PolarHBondContact O-OG1 2.9Å; I582-R657 HydrophobicContact CD1-CB 4.2Å; I582-R657 HydrophobicContact CG1-CB 4.47Å; I582-A661 HydrophobicContact CB-CB 4.45Å; I582-A661 HydrophobicContact CG1-CB 4.23Å; I582-A661 HydrophobicContact CG2-CB 3.45Å; I582-A661 VanDerWaalsContact CG2-CB 3.45Å |
| 583 | L | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.1 | -49.1 | 176.2 | 178.1 | 61.7 | 0 | 0 | 0 | 110.5 | M580 S581 T586 I587 L658 C674 V675 V678 | M580-L583 HydrophobicContact CE-CB 3.79Å; M580-L583 HydrophobicContact CE-CD2 4.06Å; M580-L583 HydrophobicContact CE-CG 4.48Å; M580-L583 VanDerWaalsContact O-CB 3.31Å; M580-L583 WeakPolarHBondContact O-CB 3.28Å; M580-L583 PolarHBondContact O-N 2.98Å; S581-L583 PolarHBondContact O-N 2.86Å; S581-L583 VanDerWaalsContact O-N 3.16Å; L583-T586 WeakPolarHBondContact O-CB 3.47Å; L583-T586 PolarHBondContact O-N 3Å; L583-I587 HydrophobicContact CG-CD1 4.39Å; L583-I587 WeakPolarHBondContact O-CG1 3.31Å; L583-I587 PolarHBondContact O-N 3.37Å; L583-L658 HydrophobicContact CB-CD2 4.43Å; L583-L658 HydrophobicContact CD1-CD2 3.86Å; L583-C674 HydrophobicContact CD2-CB 4.29Å; L583-V675 HydrophobicContact CD1-CG2 4.28Å; L583-V678 HydrophobicContact CD1-CB 4.07Å; L583-V678 HydrophobicContact CD1-CG1 4.31Å; L583-V678 HydrophobicContact CD1-CG2 3.86Å |
| 584 | F | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -75.6 | -36.8 | -176.1 | -64 | -74.7 | 0 | 0 | 0 | 112.7 | F542 L543 P567 A570 A571 L574 T575 M580 S581 T586 I587 L588 | F542-F584 HydrophobicContact CB-CE1 3.99Å; F542-F584 HydrophobicContact CD2-CE1 4.06Å; F542-F584 HydrophobicContact CD2-CZ 4.27Å; L543-F584 HydrophobicContact CD1-CB 4.4Å; L543-F584 HydrophobicContact CD1-CD1 4.27Å; L543-F584 HydrophobicContact CD2-CB 4.11Å; L543-F584 HydrophobicContact CD2-CD1 3.74Å; L543-F584 HydrophobicContact CD2-CG 4.24Å; L543-F584 HydrophobicContact CG-CD1 3.78Å; P567-F584 HydrophobicContact CB-CB 3.93Å; A570-F584 HydrophobicContact CB-CB 4.48Å; A570-F584 HydrophobicContact CB-CD1 3.65Å; A570-F584 HydrophobicContact CB-CD2 4.02Å; A570-F584 HydrophobicContact CB-CE1 3.77Å; A570-F584 HydrophobicContact CB-CE2 4.18Å; A570-F584 HydrophobicContact CB-CG 3.75Å; A570-F584 HydrophobicContact CB-CZ 4.03Å; A571-F584 HydrophobicContact CB-CD2 3.81Å; A571-F584 HydrophobicContact CB-CE2 3.94Å; L574-F584 HydrophobicContact CB-CZ 4.35Å; L574-F584 HydrophobicContact CD1-CE1 4.13Å; L574-F584 HydrophobicContact CD1-CZ 4.12Å; T575-F584 HydrophobicContact CG2-CE2 3.8Å; T575-F584 HydrophobicContact CG2-CZ 3.98Å; M580-F584 WeakPolarHBondContact O-CD2 3.36Å; S581-F584 PolarHBondContact O-N 3.44Å; F584-T586 VanDerWaalsContact C-N 3.25Å; F584-T586 PolarHBondContact O-N 3.2Å; F584-I587 HydrophobicContact CD1-CD1 4.22Å; F584-I587 PolarHBondContact O-N 3Å; F584-L588 WeakPolarHBondContact O-CG 3.27Å; F584-L588 PolarHBondContact O-N 3.23Å |
| 585 | E | 95.7 | Very high | 91.7 | Very high | 33 Ų | 33 | 28.4 Ų | 28.4 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 168.4 | -71.2 | 169.3 | -145.9 | 0 | 0 | 110.7 | P567 S581 L588 N589 | P567-E585 HydrophobicContact CB-CG 3.66Å; P567-E585 HydrophobicContact CG-CG 3.92Å; S581-E585 WeakPolarHBondContact CB-OE1 3.31Å; S581-E585 WeakPolarHBondContact O-CG 3.37Å; S581-E585 PolarHBondContact O-N 3.25Å; S581-E585 PolarHBondContact OG-OE1 2.93Å; E585-L588 PolarHBondContact O-N 2.98Å; E585-N589 WeakPolarHBondContact O-CB 3.34Å; E585-N589 VanDerWaalsContact O-CG 3.24Å; E585-N589 PolarHBondContact O-N 3.44Å; E585-N589 PolarHBondContact O-ND2 3.42Å |
| 586 | T | 96.5 | Very high | 92 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | I582 L583 F584 L588 N589 M590 C654 L658 I682 | I582-T586 VanDerWaalsContact O-CB 3.22Å; I582-T586 WeakPolarHBondContact O-CB 3.3Å; I582-T586 PolarHBondContact O-N 3.12Å; I582-T586 PolarHBondContact O-OG1 2.9Å; L583-T586 WeakPolarHBondContact O-CB 3.47Å; L583-T586 PolarHBondContact O-N 3Å; F584-T586 VanDerWaalsContact C-N 3.25Å; F584-T586 PolarHBondContact O-N 3.2Å; T586-L588 VanDerWaalsContact C-N 3.35Å; T586-L588 PolarHBondContact O-N 3.31Å; T586-N589 PolarHBondContact O-N 2.97Å; T586-M590 VanDerWaalsContact O-CB 3.27Å; T586-M590 WeakPolarHBondContact O-CB 3.33Å; T586-M590 PolarHBondContact O-N 2.95Å; T586-C654 HydrophobicContact CG2-CB 3.65Å; T586-L658 HydrophobicContact CG2-CD1 3.74Å; T586-L658 HydrophobicContact CG2-CD2 4.35Å; T586-L658 HydrophobicContact CG2-CG 3.91Å; T586-I682 HydrophobicContact CG2-CD1 3.76Å |
| 587 | I | 96.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.5 | -67.4 | 166.3 | 0 | 0 | 0 | 110.8 | C499 L540 L543 L583 F584 M590 A591 V678 | C499-I587 HydrophobicContact CB-CG2 4.43Å; L540-I587 HydrophobicContact CD2-CB 4.47Å; L540-I587 HydrophobicContact CD2-CD1 4Å; L540-I587 HydrophobicContact CD2-CG1 3.79Å; L540-I587 HydrophobicContact CD2-CG2 3.91Å; L543-I587 HydrophobicContact CD1-CB 4.12Å; L543-I587 HydrophobicContact CD1-CG2 3.83Å; L583-I587 HydrophobicContact CG-CD1 4.39Å; L583-I587 WeakPolarHBondContact O-CG1 3.31Å; L583-I587 PolarHBondContact O-N 3.37Å; F584-I587 HydrophobicContact CD1-CD1 4.22Å; F584-I587 PolarHBondContact O-N 3Å; I587-M590 WeakPolarHBondContact O-CB 3.46Å; I587-M590 PolarHBondContact O-N 3.02Å; I587-A591 PolarHBondContact O-N 3.26Å; I587-V678 HydrophobicContact CD1-CG2 4.01Å; I587-V678 HydrophobicContact CG1-CG1 4.11Å; I587-V678 HydrophobicContact CG1-CG2 4.05Å |
| 588 | L | 96.7 | Very high | 92.7 | Very high | 27 Ų | 27 | 25.8 Ų | 25.8 | 14% | 0.141 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.8 | -70.3 | 178 | 0 | 0 | 0 | 112.5 | A502 L543 P567 F584 E585 T586 A591 A592 | A502-L588 HydrophobicContact CB-CD2 4.05Å; L543-L588 HydrophobicContact CD1-CD2 3.77Å; L543-L588 HydrophobicContact CD1-CG 3.81Å; P567-L588 HydrophobicContact CG-CD1 3.85Å; F584-L588 WeakPolarHBondContact O-CG 3.27Å; F584-L588 PolarHBondContact O-N 3.23Å; E585-L588 PolarHBondContact O-N 2.98Å; T586-L588 VanDerWaalsContact C-N 3.35Å; T586-L588 PolarHBondContact O-N 3.31Å; L588-A591 PolarHBondContact O-N 3.29Å; L588-A592 PolarHBondContact O-N 3.48Å |
| 589 | N | 96.4 | Very high | 92.9 | Very high | 48 Ų | 48 | 26 Ų | 26 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 175.6 | -71.6 | -37 | 0 | 0 | 0 | 111.3 | E585 T586 A591 A592 I593 | E585-N589 WeakPolarHBondContact O-CB 3.34Å; E585-N589 VanDerWaalsContact O-CG 3.24Å; E585-N589 PolarHBondContact O-N 3.44Å; E585-N589 PolarHBondContact O-ND2 3.42Å; T586-N589 PolarHBondContact O-N 2.97Å; N589-A591 PolarHBondContact O-N 3.25Å; N589-A592 PolarHBondContact O-N 3.45Å; N589-I593 WeakPolarHBondContact O-CD1 3.37Å; N589-I593 WeakPolarHBondContact O-CG1 3.42Å; N589-I593 PolarHBondContact O-N 2.98Å |
| 590 | M | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 175.6 | -176.8 | 177.9 | 75.3 | 0 | 0 | 111.5 | C499 L540 T586 I587 A592 I593 E594 L651 V681 I682 M685 | C499-M590 HydrophobicContact CB-CE 4.26Å; C499-M590 VanDerWaalsContact SG-CE 3.52Å; L540-M590 HydrophobicContact CD1-CE 3.88Å; L540-M590 HydrophobicContact CD2-CE 3.67Å; L540-M590 HydrophobicContact CG-CE 4.47Å; T586-M590 VanDerWaalsContact O-CB 3.27Å; T586-M590 WeakPolarHBondContact O-CB 3.33Å; T586-M590 PolarHBondContact O-N 2.95Å; I587-M590 WeakPolarHBondContact O-CB 3.46Å; I587-M590 PolarHBondContact O-N 3.02Å; M590-A592 PolarHBondContact O-N 3.13Å; M590-I593 PolarHBondContact O-N 2.92Å; M590-E594 PolarHBondContact O-N 2.85Å; M590-L651 HydrophobicContact CG-CD2 4.28Å; M590-V681 HydrophobicContact CE-CG1 3.94Å; M590-V681 HydrophobicContact SD-CB 4.27Å; M590-V681 HydrophobicContact SD-CG1 3.77Å; M590-I682 HydrophobicContact SD-CG1 3.63Å; M590-M685 HydrophobicContact CG-CE 3.91Å; M590-M685 HydrophobicContact CG-SD 3.39Å; M590-M685 WeakPolarHBondContact CG-SD 3.39Å; M590-M685 HydrophobicContact SD-SD 3.75Å |
| 591 | A | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | C499 E500 T501 I587 L588 N589 I593 E594 R595 | C499-A591 HydrophobicContact CB-CB 4.15Å; C499-A591 WeakPolarHBondContact SG-CA 3.46Å; C499-A591 WeakPolarHBondContact SG-CB 3.32Å; E500-A591 VanDerWaalsContact O-CB 3.27Å; E500-A591 WeakPolarHBondContact O-CB 3.43Å; T501-A591 HydrophobicContact CG2-CB 3.86Å; T501-A591 WeakPolarHBondContact CG2-O 3.42Å; I587-A591 PolarHBondContact O-N 3.26Å; L588-A591 PolarHBondContact O-N 3.29Å; N589-A591 PolarHBondContact O-N 3.25Å; A591-I593 VanDerWaalsContact C-N 3.32Å; A591-I593 PolarHBondContact O-N 3.43Å; A591-E594 PolarHBondContact O-N 3Å; A591-R595 WeakPolarHBondContact O-CB 3.37Å; A591-R595 PolarHBondContact O-N 3.24Å |
| 592 | A | 95.6 | Very high | 91.4 | Very high | 54 Ų | 54 | 24.8 Ų | 24.8 | 45% | 0.446 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.3 | -38 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L588 N589 M590 G596 | L588-A592 PolarHBondContact O-N 3.48Å; N589-A592 PolarHBondContact O-N 3.45Å; M590-A592 PolarHBondContact O-N 3.13Å; A592-G596 WeakPolarHBondContact O-CA 3.4Å; A592-G596 PolarHBondContact O-N 2.86Å |
| 593 | I | 96.3 | Very high | 89.6 | Confident | 22 Ų | 22 | 29.9 Ų | 29.9 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -46.7 | 175.2 | -64.3 | 158.5 | 0 | 0 | 0 | 110.9 | N589 M590 A591 G596 L597 A647 E650 L651 | N589-I593 WeakPolarHBondContact O-CD1 3.37Å; N589-I593 WeakPolarHBondContact O-CG1 3.42Å; N589-I593 PolarHBondContact O-N 2.98Å; M590-I593 PolarHBondContact O-N 2.92Å; A591-I593 VanDerWaalsContact C-N 3.32Å; A591-I593 PolarHBondContact O-N 3.43Å; I593-G596 PolarHBondContact O-N 2.85Å; I593-L597 WeakPolarHBondContact O-CB 3.28Å; I593-L597 PolarHBondContact O-N 2.88Å; I593-A647 HydrophobicContact CG2-CB 3.74Å; I593-E650 HydrophobicContact CD1-CB 3.84Å; I593-E650 HydrophobicContact CD1-CG 3.65Å; I593-E650 HydrophobicContact CG1-CB 4.35Å; I593-E650 HydrophobicContact CG1-CG 4.16Å; I593-L651 HydrophobicContact CD1-CD2 3.99Å; I593-L651 HydrophobicContact CD1-CG 4.12Å; I593-L651 HydrophobicContact CG2-CD1 4.36Å; I593-L651 HydrophobicContact CG2-CD2 4.41Å; I593-L651 HydrophobicContact CG2-CG 4.13Å |
| 594 | E | 94.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.3 | -51 | 177.2 | 177 | 172.1 | -151.4 | 0 | 0 | 111.8 | Y497 F498 C499 M590 A591 S598 S609 F611 M685 | Y497-E594 WeakPolarHBondContact CA-OE1 3.24Å; Y497-E594 HydrophobicContact CD1-CG 3.78Å; Y497-E594 HydrophobicContact CE1-CG 4.24Å; F498-E594 PolarHBondContact N-OE1 3.32Å; F498-E594 VanDerWaalsContact N-OE1 3.08Å; F498-E594 PolarHBondContact N-OE2 3.16Å; F498-E594 VanDerWaalsContact N-OE2 3.07Å; C499-E594 PolarHBondContact N-OE2 3.05Å; M590-E594 PolarHBondContact O-N 2.85Å; A591-E594 PolarHBondContact O-N 3Å; E594-S598 WeakPolarHBondContact O-CB 3.47Å; E594-S598 PolarHBondContact O-N 2.94Å; E594-S598 PolarHBondContact O-OG 3.22Å; E594-S609 WeakPolarHBondContact OE1-CB 3.3Å; E594-S609 PolarHBondContact OE1-OG 3Å; E594-F611 HydrophobicContact CB-CD2 4.21Å; E594-F611 HydrophobicContact CB-CE2 4.45Å; E594-F611 HydrophobicContact CG-CD2 4.08Å; E594-M685 HydrophobicContact CB-CE 3.82Å |
| 595 | R | 91.9 | Very high | 85.8 | Confident | 56 Ų | 56 | 36.1 Ų | 36.1 | 21% | 0.211 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -48.1 | 178.3 | -177.5 | -180 | 179.1 | 79.7 | -9 | 111.6 | T501 I504 A591 L597 S598 L599 | T501-R595 HydrophobicContact CG2-CB 3.89Å; T501-R595 HydrophobicContact CG2-CG 4.38Å; I504-R595 VanDerWaalsContact CD1-CZ 3.48Å; A591-R595 WeakPolarHBondContact O-CB 3.37Å; A591-R595 PolarHBondContact O-N 3.24Å; R595-L597 PolarHBondContact O-N 3.19Å; R595-S598 PolarHBondContact O-N 3.19Å; R595-L599 HydrophobicContact CG-CD1 3.88Å; R595-L599 HydrophobicContact CG-CG 4.32Å; R595-L599 WeakPolarHBondContact O-CB 3.33Å; R595-L599 WeakPolarHBondContact O-CG 3.46Å; R595-L599 PolarHBondContact O-N 3.07Å |
| 596 | G | 90.9 | Very high | 84.2 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.2 | -47.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A592 I593 L599 T600 | A592-G596 WeakPolarHBondContact O-CA 3.4Å; A592-G596 PolarHBondContact O-N 2.86Å; I593-G596 PolarHBondContact O-N 2.85Å; G596-L599 PolarHBondContact O-N 2.68Å; G596-T600 VanDerWaalsContact O-CG2 3.25Å; G596-T600 WeakPolarHBondContact O-CG2 3.46Å; G596-T600 PolarHBondContact O-N 2.85Å; G596-T600 PolarHBondContact O-OG1 3.23Å |
| 597 | L | 91.1 | Very high | 83.1 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 176.8 | -177.3 | 63.8 | 0 | 0 | 0 | 111.3 | I593 R595 L599 T600 M601 V610 F611 F644 A647 | I593-L597 WeakPolarHBondContact O-CB 3.28Å; I593-L597 PolarHBondContact O-N 2.88Å; R595-L597 PolarHBondContact O-N 3.19Å; L597-L599 PolarHBondContact O-N 2.82Å; L597-T600 WeakPolarHBondContact CA-OG1 3.15Å; L597-T600 PolarHBondContact O-N 2.82Å; L597-T600 VanDerWaalsContact O-N 3.16Å; L597-T600 PolarHBondContact O-OG1 2.85Å; L597-M601 HydrophobicContact CD1-CG 4.39Å; L597-M601 WeakPolarHBondContact O-CG 3.48Å; L597-M601 PolarHBondContact O-N 2.85Å; L597-M601 VanDerWaalsContact O-N 3.09Å; L597-V610 HydrophobicContact CD2-CG1 4.2Å; L597-V610 HydrophobicContact CG-CG1 4.42Å; L597-F611 HydrophobicContact CB-CE2 4.39Å; L597-F611 HydrophobicContact CD2-CD2 4.25Å; L597-F611 HydrophobicContact CD2-CE1 4Å; L597-F611 HydrophobicContact CD2-CE2 3.52Å; L597-F611 HydrophobicContact CD2-CZ 3.38Å; L597-F644 HydrophobicContact CD1-CD1 4.18Å; L597-F644 HydrophobicContact CD1-CE1 4.37Å; L597-F644 HydrophobicContact CD1-CG 4.49Å; L597-F644 HydrophobicContact CD2-CD1 3.79Å; L597-F644 HydrophobicContact CD2-CE1 3.72Å; L597-F644 HydrophobicContact CG-CE1 4.46Å; L597-A647 HydrophobicContact CD2-CB 4.3Å |
| 598 | S | 89.4 | Confident | 82.6 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | -178.7 | -56 | 0 | 0 | 0 | 0 | 112.2 | E594 R595 T600 M601 G602 V610 | E594-S598 WeakPolarHBondContact O-CB 3.47Å; E594-S598 PolarHBondContact O-N 2.94Å; E594-S598 PolarHBondContact O-OG 3.22Å; R595-S598 PolarHBondContact O-N 3.19Å; S598-T600 PolarHBondContact O-N 2.87Å; S598-M601 PolarHBondContact O-N 3.31Å; S598-G602 PolarHBondContact O-N 3.01Å; S598-V610 PolarHBondContact OG-N 3.07Å; S598-V610 VanDerWaalsContact OG-N 3.13Å |
| 599 | L | 85.7 | Confident | 82.3 | Confident | 100 Ų | 100 | 42.8 Ų | 42.8 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 174.9 | -70.5 | 174.5 | 0 | 0 | 0 | 112.6 | R595 G596 L597 M601 G602 | R595-L599 HydrophobicContact CG-CD1 3.88Å; R595-L599 HydrophobicContact CG-CG 4.32Å; R595-L599 WeakPolarHBondContact O-CB 3.33Å; R595-L599 WeakPolarHBondContact O-CG 3.46Å; R595-L599 PolarHBondContact O-N 3.07Å; G596-L599 PolarHBondContact O-N 2.68Å; L597-L599 PolarHBondContact O-N 2.82Å; L599-M601 VanDerWaalsContact C-N 3.33Å; L599-M601 PolarHBondContact O-N 2.78Å; L599-G602 PolarHBondContact O-N 2.75Å |
| 600 | T | 83.9 | Confident | 81.9 | Confident | 47 Ų | 47 | 41 Ų | 41 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.7 | -26.6 | 179.6 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | G596 L597 S598 G602 Y643 | G596-T600 VanDerWaalsContact O-CG2 3.25Å; G596-T600 WeakPolarHBondContact O-CG2 3.46Å; G596-T600 PolarHBondContact O-N 2.85Å; G596-T600 PolarHBondContact O-OG1 3.23Å; L597-T600 WeakPolarHBondContact CA-OG1 3.15Å; L597-T600 PolarHBondContact O-N 2.82Å; L597-T600 VanDerWaalsContact O-N 3.16Å; L597-T600 PolarHBondContact O-OG1 2.85Å; S598-T600 PolarHBondContact O-N 2.87Å; T600-G602 VanDerWaalsContact C-N 3.32Å; T600-Y643 HydrophobicContact CG2-CD1 4.4Å; T600-Y643 HydrophobicContact CG2-CD2 4.39Å; T600-Y643 HydrophobicContact CG2-CE1 4.16Å; T600-Y643 HydrophobicContact CG2-CE2 4.13Å |
| 601 | M | 79 | Confident | 81.8 | Confident | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -78.2 | -21.8 | 174.7 | -64.2 | -65.4 | -70.8 | 0 | 0 | 111.8 | L597 S598 L599 R604 V610 L623 H640 F644 | L597-M601 HydrophobicContact CD1-CG 4.39Å; L597-M601 WeakPolarHBondContact O-CG 3.48Å; L597-M601 PolarHBondContact O-N 2.85Å; L597-M601 VanDerWaalsContact O-N 3.09Å; S598-M601 PolarHBondContact O-N 3.31Å; L599-M601 VanDerWaalsContact C-N 3.33Å; L599-M601 PolarHBondContact O-N 2.78Å; M601-R604 PolarHBondContact O-NH2 2.81Å; M601-V610 HydrophobicContact CB-CG2 3.83Å; M601-V610 HydrophobicContact CG-CG1 4.47Å; M601-V610 HydrophobicContact CG-CG2 3.82Å; M601-L623 HydrophobicContact CE-CD2 3.95Å; M601-H640 HydrophobicContact CE-CB 4.19Å; M601-H640 HydrophobicContact SD-CB 3.78Å; M601-H640 PolarHBondContact SD-CD2 2.93Å; M601-F644 HydrophobicContact CE-CE2 3.89Å; M601-F644 HydrophobicContact CE-CZ 4.15Å; M601-F644 HydrophobicContact SD-CE2 4.14Å; M601-F644 HydrophobicContact SD-CZ 4.49Å |
| 602 | G | 65.8 | Low | 81.6 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | trans | 105.8 | 139.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S598 L599 T600 R604 | S598-G602 PolarHBondContact O-N 3.01Å; L599-G602 PolarHBondContact O-N 2.75Å; T600-G602 VanDerWaalsContact C-N 3.32Å; G602-R604 VanDerWaalsContact C-N 3.31Å; G602-R604 PolarHBondContact O-N 3.03Å | ||
| 603 | D | 54.5 | Low | 81.3 | Confident | 142 Ų | 142 | 40.2 Ų | 40.2 | 76% | 0.759 | 25% | 0.246 | S | C | * | . | trans | -77.5 | 79.5 | 172.1 | -167.2 | 6.7 | 0 | 0 | 0 | 109.5 | G605 | D603-G605 VanDerWaalsContact C-N 3.27Å; D603-G605 PolarHBondContact O-N 3.29Å | ||
| 604 | R | 56.9 | Low | 80.9 | Confident | 71 Ų | 71 | 39.1 Ų | 39.1 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -93 | 25 | -174.9 | -60 | -172.7 | -167 | 156 | 11.4 | 113.1 | M601 G602 S606 E622 G624 N625 | M601-R604 PolarHBondContact O-NH2 2.81Å; G602-R604 VanDerWaalsContact C-N 3.31Å; G602-R604 PolarHBondContact O-N 3.03Å; R604-S606 VanDerWaalsContact C-N 3.31Å; R604-E622 WeakPolarHBondContact CD-OE2 3.47Å; R604-E622 PolarHBondContact NH1-O 3.5Å; R604-E622 IonicContact NH1-OE2 3.84Å; R604-G624 VanDerWaalsContact NH1-CA 3.26Å; R604-G624 VanDerWaalsContact NH1-N 3.18Å; R604-G624 PolarHBondContact NH1-O 2.83Å; R604-N625 WeakPolarHBondContact CD-OD1 3.33Å; R604-N625 PolarHBondContact NE-OD1 2.87Å |
| 605 | G | 53.1 | Low | 80.7 | Confident | 62 Ų | 62 | 39.3 Ų | 39.3 | 64% | 0.639 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 83.2 | 5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | D603 V607 | D603-G605 VanDerWaalsContact C-N 3.27Å; D603-G605 PolarHBondContact O-N 3.29Å; G605-V607 PolarHBondContact O-N 3.42Å |
| 606 | S | 61.6 | Low | 80.6 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | trans | -69.1 | 115.5 | 167.7 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | R604 V608 | R604-S606 VanDerWaalsContact C-N 3.31Å; S606-V608 PolarHBondContact O-N 2.93Å; S606-V608 PolarHBondContact OG-N 3.33Å; S606-V608 PolarHBondContact OG-O 3.42Å | ||
| 607 | V | 74.1 | Confident | 80.4 | Confident | 112 Ų | 112 | 42.2 Ų | 42.2 | 68% | 0.679 | 25% | 0.253 | S | S | * | . | trans | -72.1 | -14.5 | 176.1 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | P495 G605 | P495-V607 VanDerWaalsContact O-O 3.1Å; G605-V607 PolarHBondContact O-N 3.42Å | ||
| 608 | V | 85.7 | Confident | 80.2 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -113.3 | 154.5 | -174.3 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | S606 V612 Q613 | S606-V608 PolarHBondContact O-N 2.93Å; S606-V608 PolarHBondContact OG-N 3.33Å; S606-V608 PolarHBondContact OG-O 3.42Å; V608-V612 HydrophobicContact CB-CB 4.28Å; V608-V612 HydrophobicContact CB-CG1 4Å; V608-V612 HydrophobicContact CG1-CG1 4.31Å; V608-V612 HydrophobicContact CG2-CG1 4.46Å; V608-Q613 HydrophobicContact CG2-CB 4.08Å |
| 609 | S | 89.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -64 | 153.5 | 174.8 | 88.8 | 0 | 0 | 0 | 0 | 111.2 | G496 E594 F611 V612 Q613 | G496-S609 WeakPolarHBondContact O-CB 3.38Å; G496-S609 PolarHBondContact O-N 2.85Å; G496-S609 PolarHBondContact O-OG 3.47Å; E594-S609 WeakPolarHBondContact OE1-CB 3.3Å; E594-S609 PolarHBondContact OE1-OG 3Å; S609-F611 PolarHBondContact O-N 3.22Å; S609-F611 PolarHBondContact OG-N 3.38Å; S609-V612 PolarHBondContact O-N 3.47Å; S609-V612 WeakPolarHBondContact OG-CG2 3.4Å; S609-V612 PolarHBondContact OG-N 2.89Å; S609-Q613 PolarHBondContact O-N 3.15Å | ||
| 610 | V | 90.1 | Very high | 79.5 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.9 | -34.1 | 178.7 | 168 | 0 | 0 | 0 | 0 | 111.3 | L597 S598 M601 I614 L621 F644 | L597-V610 HydrophobicContact CD2-CG1 4.2Å; L597-V610 HydrophobicContact CG-CG1 4.42Å; S598-V610 PolarHBondContact OG-N 3.07Å; S598-V610 VanDerWaalsContact OG-N 3.13Å; M601-V610 HydrophobicContact CB-CG2 3.83Å; M601-V610 HydrophobicContact CG-CG1 4.47Å; M601-V610 HydrophobicContact CG-CG2 3.82Å; V610-I614 HydrophobicContact CG1-CD1 3.83Å; V610-I614 WeakPolarHBondContact O-CB 3.44Å; V610-I614 WeakPolarHBondContact O-CD1 3.44Å; V610-I614 WeakPolarHBondContact O-CG1 3.24Å; V610-I614 PolarHBondContact O-N 2.93Å; V610-L621 HydrophobicContact CG1-CD1 4.01Å; V610-F644 HydrophobicContact CG1-CE1 3.8Å; V610-F644 HydrophobicContact CG1-CZ 3.74Å |
| 611 | F | 92.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.6 | -50.7 | 176.3 | -71.6 | -68 | 0 | 0 | 0 | 111.3 | F498 E594 L597 S609 Q613 I614 L615 A647 L651 M685 A689 | F498-F611 HydrophobicContact CE2-CB 3.7Å; F498-F611 HydrophobicContact CZ-CB 4.19Å; E594-F611 HydrophobicContact CB-CD2 4.21Å; E594-F611 HydrophobicContact CB-CE2 4.45Å; E594-F611 HydrophobicContact CG-CD2 4.08Å; L597-F611 HydrophobicContact CB-CE2 4.39Å; L597-F611 HydrophobicContact CD2-CD2 4.25Å; L597-F611 HydrophobicContact CD2-CE1 4Å; L597-F611 HydrophobicContact CD2-CE2 3.52Å; L597-F611 HydrophobicContact CD2-CZ 3.38Å; S609-F611 PolarHBondContact O-N 3.22Å; S609-F611 PolarHBondContact OG-N 3.38Å; F611-Q613 VanDerWaalsContact C-N 3.28Å; F611-Q613 PolarHBondContact O-N 3.03Å; F611-I614 PolarHBondContact O-N 3.48Å; F611-I614 VanDerWaalsContact O-N 3.09Å; F611-L615 WeakPolarHBondContact O-CG 3.26Å; F611-L615 PolarHBondContact O-N 3.3Å; F611-A647 HydrophobicContact CZ-CB 4.41Å; F611-L651 HydrophobicContact CE1-CD1 4.47Å; F611-L651 HydrophobicContact CZ-CD1 4.04Å; F611-M685 HydrophobicContact CD1-CB 4.08Å; F611-M685 HydrophobicContact CD1-CG 4.23Å; F611-M685 HydrophobicContact CD2-CE 3.62Å; F611-M685 HydrophobicContact CD2-CG 4.43Å; F611-M685 HydrophobicContact CE1-CB 4Å; F611-M685 WeakPolarHBondContact CE1-O 3.13Å; F611-M685 HydrophobicContact CE2-CE 3.45Å; F611-M685 VanDerWaalsContact CE2-CE 3.45Å; F611-M685 HydrophobicContact CG-CB 4.49Å; F611-M685 HydrophobicContact CG-CE 4.29Å; F611-M685 HydrophobicContact CG-CG 4.17Å; F611-M685 HydrophobicContact CZ-CB 4.31Å; F611-M685 HydrophobicContact CZ-CE 4.03Å; F611-A689 HydrophobicContact CE1-CB 4.06Å |
| 612 | V | 91.2 | Very high | 79 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | G496 F498 V608 S609 I614 L615 L616 | G496-V612 VanDerWaalsContact O-CG2 3.3Å; G496-V612 WeakPolarHBondContact O-CG2 3.35Å; F498-V612 HydrophobicContact CD1-CG2 3.87Å; F498-V612 HydrophobicContact CE1-CG2 3.33Å; F498-V612 HydrophobicContact CZ-CG2 3.68Å; V608-V612 HydrophobicContact CB-CB 4.28Å; V608-V612 HydrophobicContact CB-CG1 4Å; V608-V612 HydrophobicContact CG1-CG1 4.31Å; V608-V612 HydrophobicContact CG2-CG1 4.46Å; S609-V612 PolarHBondContact O-N 3.47Å; S609-V612 WeakPolarHBondContact OG-CG2 3.4Å; S609-V612 PolarHBondContact OG-N 2.89Å; V612-I614 VanDerWaalsContact C-N 3.35Å; V612-I614 PolarHBondContact O-N 3.15Å; V612-L615 PolarHBondContact O-N 3Å; V612-L616 HydrophobicContact CG1-CD1 3.68Å; V612-L616 HydrophobicContact CG1-CG 4.2Å; V612-L616 WeakPolarHBondContact O-CB 3.42Å; V612-L616 WeakPolarHBondContact O-CG 3.32Å; V612-L616 PolarHBondContact O-N 3.33Å |
| 613 | Q | 88.6 | Confident | 79.3 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 175.6 | -172 | 175.7 | 17.5 | 0 | 0 | 111.9 | V608 S609 F611 L615 L616 N617 C620 | V608-Q613 HydrophobicContact CG2-CB 4.08Å; S609-Q613 PolarHBondContact O-N 3.15Å; F611-Q613 VanDerWaalsContact C-N 3.28Å; F611-Q613 PolarHBondContact O-N 3.03Å; Q613-L615 VanDerWaalsContact C-N 3.34Å; Q613-L615 PolarHBondContact O-N 3.37Å; Q613-L616 PolarHBondContact O-N 2.88Å; Q613-N617 CarbonylContact O-C 3.53Å; Q613-N617 WeakPolarHBondContact O-CA 3.32Å; Q613-N617 PolarHBondContact O-N 3.46Å; Q613-N617 VanDerWaalsContact O-O 3.05Å; Q613-C620 PolarHBondContact NE2-O 2.86Å |
| 614 | I | 89.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 178.4 | -71.3 | 167.6 | 0 | 0 | 0 | 111.9 | V610 F611 V612 P618 L621 F644 L691 | V610-I614 HydrophobicContact CG1-CD1 3.83Å; V610-I614 WeakPolarHBondContact O-CB 3.44Å; V610-I614 WeakPolarHBondContact O-CD1 3.44Å; V610-I614 WeakPolarHBondContact O-CG1 3.24Å; V610-I614 PolarHBondContact O-N 2.93Å; F611-I614 PolarHBondContact O-N 3.48Å; F611-I614 VanDerWaalsContact O-N 3.09Å; V612-I614 VanDerWaalsContact C-N 3.35Å; V612-I614 PolarHBondContact O-N 3.15Å; I614-P618 HydrophobicContact CG2-CB 4.41Å; I614-P618 VanDerWaalsContact O-CD 3.27Å; I614-P618 WeakPolarHBondContact O-CD 3.36Å; I614-L621 HydrophobicContact CD1-CD2 4Å; I614-L621 HydrophobicContact CG1-CD1 4.23Å; I614-L621 HydrophobicContact CG1-CD2 3.93Å; I614-F644 HydrophobicContact CD1-CE1 3.68Å; I614-F644 HydrophobicContact CD1-CZ 3.9Å; I614-L691 HydrophobicContact CG2-CB 4.19Å; I614-L691 HydrophobicContact CG2-CD2 3.7Å; I614-L691 HydrophobicContact CG2-CG 4.06Å |
| 615 | L | 89.6 | Confident | 79.4 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.1 | -39.8 | -179.1 | -61 | -170.8 | 0 | 0 | 0 | 112.5 | F498 F611 V612 Q613 M684 M756 L760 | F498-L615 HydrophobicContact CE1-CD1 4.31Å; F498-L615 HydrophobicContact CE2-CD1 4.46Å; F498-L615 HydrophobicContact CZ-CD1 3.57Å; F611-L615 WeakPolarHBondContact O-CG 3.26Å; F611-L615 PolarHBondContact O-N 3.3Å; V612-L615 PolarHBondContact O-N 3Å; Q613-L615 VanDerWaalsContact C-N 3.34Å; Q613-L615 PolarHBondContact O-N 3.37Å; L615-M684 HydrophobicContact CB-CE 4.5Å; L615-M684 HydrophobicContact CD1-CE 3.92Å; L615-M684 HydrophobicContact CD1-CG 3.38Å; L615-M684 HydrophobicContact CD1-SD 4.35Å; L615-M684 HydrophobicContact CD2-CE 3.58Å; L615-M684 HydrophobicContact CD2-CG 3.67Å; L615-M684 HydrophobicContact CD2-SD 3.75Å; L615-M684 HydrophobicContact CG-CE 4.15Å; L615-M684 HydrophobicContact CG-CG 4.13Å; L615-M756 HydrophobicContact CB-SD 4.48Å; L615-L760 HydrophobicContact CD2-CD2 4.28Å |
| 616 | L | 88.9 | Confident | 79.1 | Confident | 88 Ų | 88 | 41.8 Ų | 41.8 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -79.6 | -46.5 | -178.8 | -65.2 | 179.6 | 0 | 0 | 0 | 112 | V612 Q613 M756 | V612-L616 HydrophobicContact CG1-CD1 3.68Å; V612-L616 HydrophobicContact CG1-CG 4.2Å; V612-L616 WeakPolarHBondContact O-CB 3.42Å; V612-L616 WeakPolarHBondContact O-CG 3.32Å; V612-L616 PolarHBondContact O-N 3.33Å; Q613-L616 PolarHBondContact O-N 2.88Å; L616-M756 HydrophobicContact CD2-SD 4.38Å |
| 617 | N | 86.9 | Confident | 78.5 | Confident | 62 Ų | 62 | 41.8 Ų | 41.8 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | trans | -156.2 | 92 | 178.8 | -169.1 | -7.8 | 0 | 0 | 0 | 112.3 | Q613 D619 C620 | Q613-N617 CarbonylContact O-C 3.53Å; Q613-N617 WeakPolarHBondContact O-CA 3.32Å; Q613-N617 PolarHBondContact O-N 3.46Å; Q613-N617 VanDerWaalsContact O-O 3.05Å; N617-D619 VanDerWaalsContact C-N 3.26Å; N617-D619 PolarHBondContact O-N 3.25Å; N617-D619 PolarHBondContact OD1-N 2.7Å; N617-C620 HydrophobicContact CB-CB 4.34Å; N617-C620 PolarHBondContact ND2-SG 3.07Å; N617-C620 PolarHBondContact O-N 3.06Å | ||
| 618 | P | 86.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -66.6 | -22.4 | -177.7 | 27.1 | -34.4 | 0 | 0 | 0 | 114.3 | I614 C620 L621 L691 L695 N712 V715 L760 | I614-P618 HydrophobicContact CG2-CB 4.41Å; I614-P618 VanDerWaalsContact O-CD 3.27Å; I614-P618 WeakPolarHBondContact O-CD 3.36Å; P618-C620 VanDerWaalsContact C-N 3.29Å; P618-L621 VanDerWaalsContact O-CB 3.28Å; P618-L621 WeakPolarHBondContact O-CB 3.49Å; P618-L621 PolarHBondContact O-N 3.37Å; P618-L691 HydrophobicContact CB-CD2 3.78Å; P618-L691 HydrophobicContact CB-CG 4.39Å; P618-L691 HydrophobicContact CG-CD2 4.18Å; P618-L695 HydrophobicContact CB-CD1 4.3Å; P618-N712 PolarHBondContact O-ND2 3.4Å; P618-V715 HydrophobicContact CB-CG2 3.74Å; P618-V715 HydrophobicContact CG-CG2 3.43Å; P618-V715 VanDerWaalsContact CG-CG2 3.43Å; P618-L760 HydrophobicContact CG-CD1 4.03Å |
| 619 | D | 82.2 | Confident | 75.7 | Confident | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -72.7 | -26.3 | 178.5 | -68.9 | -19.5 | 0 | 0 | 0 | 111.8 | N617 L621 N712 G714 V715 | N617-D619 VanDerWaalsContact C-N 3.26Å; N617-D619 PolarHBondContact O-N 3.25Å; N617-D619 PolarHBondContact OD1-N 2.7Å; D619-L621 PolarHBondContact O-N 3.2Å; D619-N712 PolarHBondContact O-ND2 2.95Å; D619-G714 WeakPolarHBondContact OD1-CA 3.28Å; D619-V715 WeakPolarHBondContact OD1-CG2 3.43Å; D619-V715 PolarHBondContact OD1-N 3.31Å |
| 620 | C | 79.3 | Confident | 73.8 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 49% | 0.493 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -79.7 | -0.3 | 174.6 | -72.6 | 0 | 0 | 0 | 0 | 113.5 | Q613 N617 P618 E622 | Q613-C620 PolarHBondContact NE2-O 2.86Å; N617-C620 HydrophobicContact CB-CB 4.34Å; N617-C620 PolarHBondContact ND2-SG 3.07Å; N617-C620 PolarHBondContact O-N 3.06Å; P618-C620 VanDerWaalsContact C-N 3.29Å; C620-E622 PolarHBondContact O-N 3.17Å |
| 621 | L | 80.1 | Confident | 71.9 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | trans | -65.9 | 117 | 179 | -179.1 | 68.2 | 0 | 0 | 0 | 111.1 | V610 I614 P618 D619 L623 F644 L695 N712 | V610-L621 HydrophobicContact CG1-CD1 4.01Å; I614-L621 HydrophobicContact CD1-CD2 4Å; I614-L621 HydrophobicContact CG1-CD1 4.23Å; I614-L621 HydrophobicContact CG1-CD2 3.93Å; P618-L621 VanDerWaalsContact O-CB 3.28Å; P618-L621 WeakPolarHBondContact O-CB 3.49Å; P618-L621 PolarHBondContact O-N 3.37Å; D619-L621 PolarHBondContact O-N 3.2Å; L621-L623 HydrophobicContact CD2-CD2 3.7Å; L621-L623 HydrophobicContact CD2-CG 4.46Å; L621-L623 HydrophobicContact CG-CD2 4.07Å; L621-L623 PolarHBondContact O-N 3.13Å; L621-F644 HydrophobicContact CD2-CZ 4.15Å; L621-L695 HydrophobicContact CD2-CD1 4.01Å; L621-N712 WeakPolarHBondContact O-CB 3.29Å; L621-N712 PolarHBondContact O-ND2 2.96Å; L621-N712 VanDerWaalsContact O-ND2 3.07Å | ||
| 622 | E | 72.4 | Confident | 70.2 | Confident | 93 Ų | 93 | 56.8 Ų | 56.8 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | trans | -82.6 | 93.2 | 179.7 | -65.4 | -170.1 | 175.5 | 0 | 0 | 112.7 | R604 C620 G624 | R604-E622 WeakPolarHBondContact CD-OE2 3.47Å; R604-E622 PolarHBondContact NH1-O 3.5Å; R604-E622 IonicContact NH1-OE2 3.84Å; C620-E622 PolarHBondContact O-N 3.17Å; E622-G624 VanDerWaalsContact C-N 3.26Å; E622-G624 PolarHBondContact O-N 2.92Å | ||
| 623 | L | 72 | Confident | 68.7 | Low | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | trans | -73.1 | -9.1 | 179.7 | -63.3 | 176 | 0 | 0 | 0 | 114.9 | M601 L621 L637 H640 L695 N712 | M601-L623 HydrophobicContact CE-CD2 3.95Å; L621-L623 HydrophobicContact CD2-CD2 3.7Å; L621-L623 HydrophobicContact CD2-CG 4.46Å; L621-L623 HydrophobicContact CG-CD2 4.07Å; L621-L623 PolarHBondContact O-N 3.13Å; L623-L637 HydrophobicContact CB-CD1 4.16Å; L623-L637 HydrophobicContact CD1-CD1 4.11Å; L623-H640 PolarHBondContact O-CE1 3.38Å; L623-H640 PolarHBondContact O-ND1 3.48Å; L623-L695 HydrophobicContact CD1-CB 4.13Å; L623-N712 HydrophobicContact CD1-CB 4.19Å; L623-N712 HydrophobicContact CG-CB 4.45Å | ||
| 624 | G | 61.1 | Low | 67.6 | Low | 5 Ų | 5 | 62.5 Ų | 62.5 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -169.2 | 163.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R604 E622 F626 | R604-G624 VanDerWaalsContact NH1-CA 3.26Å; R604-G624 VanDerWaalsContact NH1-N 3.18Å; R604-G624 PolarHBondContact NH1-O 2.83Å; E622-G624 VanDerWaalsContact C-N 3.26Å; E622-G624 PolarHBondContact O-N 2.92Å; G624-F626 PolarHBondContact O-N 2.88Å |
| 625 | N | 52.5 | Low | 66.8 | Low | 96 Ų | 96 | 66 Ų | 66 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | trans | -72.5 | 124.2 | 174.2 | -76.5 | -5.3 | 0 | 0 | 0 | 109.8 | R604 S627 I632 | R604-N625 WeakPolarHBondContact CD-OD1 3.33Å; R604-N625 PolarHBondContact NE-OD1 2.87Å; N625-S627 PolarHBondContact O-N 3.15Å; N625-I632 WeakPolarHBondContact O-CG1 3.36Å | ||
| 626 | F | 47.3 | Very low | 66.2 | Low | 135 Ų | 135 | 67.7 Ų | 67.7 | 59% | 0.592 | 38% | 0.383 | S | S | * | . | trans | -78 | 33.4 | 167.8 | -63.5 | -77.3 | 0 | 0 | 0 | 112.5 | G624 P628 V708 | G624-F626 PolarHBondContact O-N 2.88Å; F626-P628 WeakPolarHBondContact O-CD 3.5Å; F626-V708 HydrophobicContact CE1-CG1 4.49Å | ||
| 627 | S | 47.6 | Very low | 65.7 | Low | 46 Ų | 46 | 63.7 Ų | 63.7 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | trans | -76 | 123.6 | 177.4 | -177 | 0 | 0 | 0 | 0 | 109.3 | N625 V629 N630 | N625-S627 PolarHBondContact O-N 3.15Å; S627-V629 PolarHBondContact O-N 3.43Å; S627-V629 VanDerWaalsContact O-N 3.15Å; S627-V629 PolarHBondContact OG-N 3.4Å; S627-N630 CarbonylContact O-C 3.49Å; S627-N630 PolarHBondContact O-N 2.81Å | ||
| 628 | P | 49.5 | Very low | 65.6 | Low | 128 Ų | 128 | 64.3 Ų | 64.3 | 83% | 0.831 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.8 | 172.7 | 23.4 | -30.9 | 0 | 0 | 0 | 112.9 | F626 | F626-P628 WeakPolarHBondContact O-CD 3.5Š|
| 629 | V | 52 | Low | 65.5 | Low | 118 Ų | 118 | 70 Ų | 70 | 72% | 0.715 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -29.2 | -176.9 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | S627 | S627-V629 PolarHBondContact O-N 3.43Å; S627-V629 VanDerWaalsContact O-N 3.15Å; S627-V629 PolarHBondContact OG-N 3.4Å |
| 630 | N | 50.1 | Low | 65.8 | Low | 129 Ų | 129 | 67.1 Ų | 67.1 | 69% | 0.69 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -132.8 | 79.4 | 176.5 | -85.4 | -34.3 | 0 | 0 | 0 | 108.9 | S627 | S627-N630 CarbonylContact O-C 3.49Å; S627-N630 PolarHBondContact O-N 2.81Å |
| 631 | P | 50.1 | Low | 66.3 | Low | 91 Ų | 91 | 66.3 Ų | 66.3 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 141 | 177.8 | 22.8 | -31.4 | 0 | 0 | 0 | 110.8 | S633 | P631-S633 PolarHBondContact O-N 3.1Š|
| 632 | I | 56.2 | Low | 66.8 | Low | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.082 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 133.8 | -174.5 | -56.8 | 162.9 | 0 | 0 | 0 | 110.3 | N625 N709 V710 | N625-I632 WeakPolarHBondContact O-CG1 3.36Å; I632-N709 WeakPolarHBondContact O-CB 3.49Å; I632-N709 PolarHBondContact O-ND2 3.19Å; I632-V710 HydrophobicContact CB-CB 4Å; I632-V710 HydrophobicContact CB-CG2 4.08Å; I632-V710 HydrophobicContact CD1-CB 3.72Å; I632-V710 HydrophobicContact CD1-CG1 4.23Å; I632-V710 WeakPolarHBondContact CD1-O 3.34Å; I632-V710 HydrophobicContact CG1-CB 4.45Å; I632-V710 HydrophobicContact CG2-CB 3.62Å; I632-V710 HydrophobicContact CG2-CG1 4.23Å; I632-V710 HydrophobicContact CG2-CG2 3.42Å; I632-V710 VanDerWaalsContact CG2-CG2 3.42Å |
| 633 | S | 60.1 | Low | 67.8 | Low | 61 Ų | 61 | 67.1 Ų | 67.1 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 142.8 | 168.2 | 179 | 0 | 0 | 0 | 0 | 110.1 | P631 S635 T636 | P631-S633 PolarHBondContact O-N 3.1Å; S633-S635 WeakPolarHBondContact CB-OG 3.46Å; S633-S635 PolarHBondContact O-N 2.96Å; S633-S635 PolarHBondContact OG-N 3Å; S633-S635 PolarHBondContact OG-OG 2.93Å; S633-T636 WeakPolarHBondContact O-CB 3.41Å; S633-T636 PolarHBondContact O-N 3.28Å |
| 634 | Y | 64.9 | Low | 68.9 | Low | 98 Ų | 98 | 66.9 Ų | 66.9 | 38% | 0.384 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -46.8 | -29.1 | 167.8 | -77.7 | -84.1 | 0 | 0 | 0 | 112.8 | T636 L637 S638 T700 N701 N704 | Y634-T636 VanDerWaalsContact C-N 3.31Å; Y634-T636 PolarHBondContact O-N 3.39Å; Y634-L637 PolarHBondContact O-N 2.94Å; Y634-S638 WeakPolarHBondContact O-CB 3.45Å; Y634-S638 PolarHBondContact O-N 2.97Å; Y634-T700 HydrophobicContact CD1-CG2 4.42Å; Y634-T700 HydrophobicContact CE1-CG2 4.37Å; Y634-N701 PolarHBondContact OH-O 3.24Å; Y634-N704 PolarHBondContact OH-OD1 3.07Å |
| 635 | S | 72.5 | Confident | 70.6 | Confident | 74 Ų | 74 | 70 Ų | 70 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 176.3 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | S633 R639 | S633-S635 WeakPolarHBondContact CB-OG 3.46Å; S633-S635 PolarHBondContact O-N 2.96Å; S633-S635 PolarHBondContact OG-N 3Å; S633-S635 PolarHBondContact OG-OG 2.93Å; S635-R639 VanDerWaalsContact O-CB 3.25Å; S635-R639 WeakPolarHBondContact O-CB 3.43Å; S635-R639 PolarHBondContact O-N 2.82Å |
| 636 | T | 77.4 | Confident | 72.6 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 179.4 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | S633 Y634 R639 H640 | S633-T636 WeakPolarHBondContact O-CB 3.41Å; S633-T636 PolarHBondContact O-N 3.28Å; Y634-T636 VanDerWaalsContact C-N 3.31Å; Y634-T636 PolarHBondContact O-N 3.39Å; T636-R639 WeakPolarHBondContact O-CB 3.27Å; T636-R639 PolarHBondContact O-N 2.91Å; T636-H640 VanDerWaalsContact CG2-CE1 3.43Å; T636-H640 WeakPolarHBondContact CG2-CE1 3.42Å; T636-H640 PolarHBondContact O-N 2.92Å |
| 637 | L | 79.3 | Confident | 75 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.4 | -42.4 | 179.6 | -166.2 | 63.9 | 0 | 0 | 0 | 111.8 | L623 Y634 R639 H640 F641 C696 T700 V710 | L623-L637 HydrophobicContact CB-CD1 4.16Å; L623-L637 HydrophobicContact CD1-CD1 4.11Å; Y634-L637 PolarHBondContact O-N 2.94Å; L637-R639 PolarHBondContact O-N 3.13Å; L637-H640 PolarHBondContact O-N 3.32Å; L637-F641 WeakPolarHBondContact O-CB 3.48Å; L637-F641 PolarHBondContact O-N 2.83Å; L637-C696 HydrophobicContact CD1-CB 3.94Å; L637-C696 WeakPolarHBondContact CD2-O 3.39Å; L637-C696 HydrophobicContact CG-CB 4.25Å; L637-C696 WeakPolarHBondContact CG-O 3.47Å; L637-T700 HydrophobicContact CD2-CG2 3.58Å; L637-V710 HydrophobicContact CD1-CG1 4Å; L637-V710 HydrophobicContact CD2-CG1 4.07Å; L637-V710 HydrophobicContact CD2-CG2 4.13Å |
| 638 | S | 83.7 | Confident | 77.4 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 53% | 0.531 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.7 | -36.5 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 112 | Y634 T642 | Y634-S638 WeakPolarHBondContact O-CB 3.45Å; Y634-S638 PolarHBondContact O-N 2.97Å; S638-T642 PolarHBondContact O-N 2.92Å; S638-T642 VanDerWaalsContact O-N 3.08Å; S638-T642 PolarHBondContact O-OG1 3.21Å |
| 639 | R | 85.2 | Confident | 79.7 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.5 | -45.9 | 175.2 | -169 | -177.5 | 67 | 170.2 | 2.4 | 112 | S635 T636 L637 F641 T642 Y643 | S635-R639 VanDerWaalsContact O-CB 3.25Å; S635-R639 WeakPolarHBondContact O-CB 3.43Å; S635-R639 PolarHBondContact O-N 2.82Å; T636-R639 WeakPolarHBondContact O-CB 3.27Å; T636-R639 PolarHBondContact O-N 2.91Å; L637-R639 PolarHBondContact O-N 3.13Å; R639-F641 PolarHBondContact O-N 2.97Å; R639-T642 WeakPolarHBondContact O-CB 3.43Å; R639-T642 PolarHBondContact O-N 3.09Å; R639-T642 VanDerWaalsContact O-N 3.13Å; R639-Y643 WeakPolarHBondContact CD-OH 3.48Å; R639-Y643 HydrophobicContact CG-CD2 4.16Å; R639-Y643 HydrophobicContact CG-CE1 4.47Å; R639-Y643 HydrophobicContact CG-CE2 3.44Å; R639-Y643 VanDerWaalsContact CG-CE2 3.44Å; R639-Y643 WeakPolarHBondContact O-CD2 3.34Å; R639-Y643 PolarHBondContact O-N 2.99Å |
| 640 | H | 87.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.3 | -65.5 | 159.6 | 0 | 0 | 0 | 112.1 | M601 L623 T636 L637 T642 Y643 F644 | M601-H640 HydrophobicContact CE-CB 4.19Å; M601-H640 HydrophobicContact SD-CB 3.78Å; M601-H640 PolarHBondContact SD-CD2 2.93Å; L623-H640 PolarHBondContact O-CE1 3.38Å; L623-H640 PolarHBondContact O-ND1 3.48Å; T636-H640 VanDerWaalsContact CG2-CE1 3.43Å; T636-H640 WeakPolarHBondContact CG2-CE1 3.42Å; T636-H640 PolarHBondContact O-N 2.92Å; L637-H640 PolarHBondContact O-N 3.32Å; H640-T642 VanDerWaalsContact C-N 3.26Å; H640-T642 PolarHBondContact O-N 3.08Å; H640-Y643 PolarHBondContact O-N 3.04Å; H640-Y643 VanDerWaalsContact O-N 3.11Å; H640-F644 VanDerWaalsContact O-CD2 3.26Å; H640-F644 WeakPolarHBondContact O-CD2 3.33Å; H640-F644 PolarHBondContact O-N 3.24Å |
| 641 | F | 90.4 | Very high | 84.1 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 25% | 0.25 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.3 | -47.7 | 171.9 | 175.5 | -89.8 | 0 | 0 | 0 | 111.3 | L637 R639 Y643 F644 Q645 Q693 C696 I697 | L637-F641 WeakPolarHBondContact O-CB 3.48Å; L637-F641 PolarHBondContact O-N 2.83Å; R639-F641 PolarHBondContact O-N 2.97Å; F641-Y643 PolarHBondContact O-N 3.07Å; F641-F644 PolarHBondContact O-N 3.44Å; F641-Q645 WeakPolarHBondContact O-CB 3.41Å; F641-Q645 PolarHBondContact O-N 2.92Å; F641-Q693 HydrophobicContact CD2-CB 4.08Å; F641-Q693 HydrophobicContact CD2-CG 3.85Å; F641-Q693 HydrophobicContact CE2-CB 3.93Å; F641-Q693 HydrophobicContact CE2-CG 3.73Å; F641-Q693 HydrophobicContact CZ-CG 4.34Å; F641-C696 HydrophobicContact CB-CB 3.92Å; F641-C696 HydrophobicContact CD2-CB 4.39Å; F641-I697 HydrophobicContact CD2-CD1 4.27Å; F641-I697 HydrophobicContact CD2-CG1 3.94Å; F641-I697 HydrophobicContact CE2-CD1 3.69Å; F641-I697 HydrophobicContact CE2-CG1 3.84Å |
| 642 | T | 91.7 | Very high | 86.4 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 31% | 0.307 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 178.8 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | S638 R639 H640 Q645 K646 | S638-T642 PolarHBondContact O-N 2.92Å; S638-T642 VanDerWaalsContact O-N 3.08Å; S638-T642 PolarHBondContact O-OG1 3.21Å; R639-T642 WeakPolarHBondContact O-CB 3.43Å; R639-T642 PolarHBondContact O-N 3.09Å; R639-T642 VanDerWaalsContact O-N 3.13Å; H640-T642 VanDerWaalsContact C-N 3.26Å; H640-T642 PolarHBondContact O-N 3.08Å; T642-Q645 PolarHBondContact O-N 3.45Å; T642-K646 HydrophobicContact CG2-CD 4.4Å; T642-K646 WeakPolarHBondContact O-CG 3.4Å; T642-K646 PolarHBondContact O-N 3.28Å |
| 643 | Y | 92.5 | Very high | 88.4 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 177 | -65.8 | -43.6 | 0 | 0 | 0 | 112.3 | T600 R639 H640 F641 Q645 K646 A647 | T600-Y643 HydrophobicContact CG2-CD1 4.4Å; T600-Y643 HydrophobicContact CG2-CD2 4.39Å; T600-Y643 HydrophobicContact CG2-CE1 4.16Å; T600-Y643 HydrophobicContact CG2-CE2 4.13Å; R639-Y643 WeakPolarHBondContact CD-OH 3.48Å; R639-Y643 HydrophobicContact CG-CD2 4.16Å; R639-Y643 HydrophobicContact CG-CE1 4.47Å; R639-Y643 HydrophobicContact CG-CE2 3.44Å; R639-Y643 VanDerWaalsContact CG-CE2 3.44Å; R639-Y643 WeakPolarHBondContact O-CD2 3.34Å; R639-Y643 PolarHBondContact O-N 2.99Å; H640-Y643 PolarHBondContact O-N 3.04Å; H640-Y643 VanDerWaalsContact O-N 3.11Å; F641-Y643 PolarHBondContact O-N 3.07Å; Y643-Q645 VanDerWaalsContact C-N 3.31Å; Y643-Q645 PolarHBondContact O-N 2.98Å; Y643-K646 PolarHBondContact O-N 3.03Å; Y643-A647 WeakPolarHBondContact O-CB 3.45Å; Y643-A647 PolarHBondContact O-N 2.93Å |
| 644 | F | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 172.9 | -78.8 | -64.4 | 0 | 0 | 0 | 112.1 | L597 M601 V610 I614 L621 H640 F641 A647 R648 A689 Q693 | L597-F644 HydrophobicContact CD1-CD1 4.18Å; L597-F644 HydrophobicContact CD1-CE1 4.37Å; L597-F644 HydrophobicContact CD1-CG 4.49Å; L597-F644 HydrophobicContact CD2-CD1 3.79Å; L597-F644 HydrophobicContact CD2-CE1 3.72Å; L597-F644 HydrophobicContact CG-CE1 4.46Å; M601-F644 HydrophobicContact CE-CE2 3.89Å; M601-F644 HydrophobicContact CE-CZ 4.15Å; M601-F644 HydrophobicContact SD-CE2 4.14Å; M601-F644 HydrophobicContact SD-CZ 4.49Å; V610-F644 HydrophobicContact CG1-CE1 3.8Å; V610-F644 HydrophobicContact CG1-CZ 3.74Å; I614-F644 HydrophobicContact CD1-CE1 3.68Å; I614-F644 HydrophobicContact CD1-CZ 3.9Å; L621-F644 HydrophobicContact CD2-CZ 4.15Å; H640-F644 VanDerWaalsContact O-CD2 3.26Å; H640-F644 WeakPolarHBondContact O-CD2 3.33Å; H640-F644 PolarHBondContact O-N 3.24Å; F641-F644 PolarHBondContact O-N 3.44Å; F644-A647 PolarHBondContact O-N 3.49Å; F644-R648 VanDerWaalsContact O-CB 3.31Å; F644-R648 WeakPolarHBondContact O-CB 3.43Å; F644-R648 PolarHBondContact O-N 3.38Å; F644-A689 HydrophobicContact CD1-CB 4.38Å; F644-Q693 HydrophobicContact CB-CG 3.71Å; F644-Q693 PolarHBondContact O-NE2 3.46Å |
| 645 | Q | 96.1 | Very high | 91.7 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 176.1 | -174.2 | -178.7 | 7.3 | 0 | 0 | 111.7 | F641 T642 Y643 R648 I649 | F641-Q645 WeakPolarHBondContact O-CB 3.41Å; F641-Q645 PolarHBondContact O-N 2.92Å; T642-Q645 PolarHBondContact O-N 3.45Å; Y643-Q645 VanDerWaalsContact C-N 3.31Å; Y643-Q645 PolarHBondContact O-N 2.98Å; Q645-R648 PolarHBondContact O-N 3.29Å; Q645-I649 HydrophobicContact CG-CD1 4.11Å; Q645-I649 WeakPolarHBondContact O-CG1 3.41Å; Q645-I649 PolarHBondContact O-N 3.45Å |
| 646 | K | 96.2 | Very high | 92.8 | Very high | 132 Ų | 132 | 52.4 Ų | 52.4 | 57% | 0.574 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.5 | -48.2 | 176.2 | -75.7 | 178.9 | 178 | -175.7 | 0 | 111.8 | T642 Y643 R648 I649 E650 | T642-K646 HydrophobicContact CG2-CD 4.4Å; T642-K646 WeakPolarHBondContact O-CG 3.4Å; T642-K646 PolarHBondContact O-N 3.28Å; Y643-K646 PolarHBondContact O-N 3.03Å; K646-R648 VanDerWaalsContact C-N 3.3Å; K646-R648 PolarHBondContact O-N 2.93Å; K646-I649 PolarHBondContact O-N 3.27Å; K646-E650 PolarHBondContact O-N 3.03Å |
| 647 | A | 96.7 | Very high | 93.6 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.4 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | I593 L597 F611 Y643 F644 I649 E650 L651 | I593-A647 HydrophobicContact CG2-CB 3.74Å; L597-A647 HydrophobicContact CD2-CB 4.3Å; F611-A647 HydrophobicContact CZ-CB 4.41Å; Y643-A647 WeakPolarHBondContact O-CB 3.45Å; Y643-A647 PolarHBondContact O-N 2.93Å; F644-A647 PolarHBondContact O-N 3.49Å; A647-I649 PolarHBondContact O-N 3.03Å; A647-E650 PolarHBondContact O-N 3.45Å; A647-L651 WeakPolarHBondContact O-CB 3.25Å; A647-L651 WeakPolarHBondContact O-CD1 3.46Å; A647-L651 WeakPolarHBondContact O-CG 3.49Å; A647-L651 PolarHBondContact O-N 2.94Å |
| 648 | R | 97.7 | Very high | 94.3 | Very high | 62 Ų | 62 | 55 Ų | 55 | 23% | 0.234 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 177 | -172.2 | -177.7 | 63.1 | 72.9 | -4.4 | 112.9 | F644 Q645 K646 Q652 I686 A689 R690 | F644-R648 VanDerWaalsContact O-CB 3.31Å; F644-R648 WeakPolarHBondContact O-CB 3.43Å; F644-R648 PolarHBondContact O-N 3.38Å; Q645-R648 PolarHBondContact O-N 3.29Å; K646-R648 VanDerWaalsContact C-N 3.3Å; K646-R648 PolarHBondContact O-N 2.93Å; R648-Q652 WeakPolarHBondContact O-CB 3.23Å; R648-Q652 PolarHBondContact O-N 3.3Å; R648-I686 HydrophobicContact CG-CG2 4.23Å; R648-A689 HydrophobicContact CB-CB 3.89Å; R648-A689 HydrophobicContact CG-CB 4.49Å; R648-R690 VanDerWaalsContact CD-CG 3.48Å; R648-R690 HydrophobicContact CG-CG 4.48Å |
| 649 | I | 97.8 | Very high | 94.7 | Very high | 67 Ų | 67 | 54 Ų | 54 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 180 | -69.6 | 165.7 | 0 | 0 | 0 | 110.5 | Q645 K646 A647 Q652 R653 | Q645-I649 HydrophobicContact CG-CD1 4.11Å; Q645-I649 WeakPolarHBondContact O-CG1 3.41Å; Q645-I649 PolarHBondContact O-N 3.45Å; K646-I649 PolarHBondContact O-N 3.27Å; A647-I649 PolarHBondContact O-N 3.03Å; I649-Q652 PolarHBondContact O-N 3.31Å; I649-R653 WeakPolarHBondContact O-CG 3.3Å; I649-R653 PolarHBondContact O-N 2.95Å; I649-R653 VanDerWaalsContact O-N 3.11Å |
| 650 | E | 97.4 | Very high | 95 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.7 | -36.6 | -179.1 | -162.6 | 59.2 | -144.4 | 0 | 0 | 112.4 | I593 K646 A647 Q652 R653 C654 | I593-E650 HydrophobicContact CD1-CB 3.84Å; I593-E650 HydrophobicContact CD1-CG 3.65Å; I593-E650 HydrophobicContact CG1-CB 4.35Å; I593-E650 HydrophobicContact CG1-CG 4.16Å; K646-E650 PolarHBondContact O-N 3.03Å; A647-E650 PolarHBondContact O-N 3.45Å; E650-Q652 VanDerWaalsContact C-N 3.32Å; E650-Q652 PolarHBondContact O-N 3.22Å; E650-R653 WeakPolarHBondContact O-CB 3.45Å; E650-R653 PolarHBondContact O-N 3.29Å; E650-R653 WeakPolarHBondContact OE2-CD 3.41Å; E650-R653 IonicContact OE2-CZ 3.32Å; E650-R653 IonicContact OE2-NE 3.36Å; E650-R653 IonicContact OE2-NH1 3.8Å; E650-R653 PolarHBondContact OE2-NH1 2.85Å; E650-C654 PolarHBondContact O-N 2.92Å; E650-C654 PolarHBondContact O-SG 2.87Å |
| 651 | L | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -38.3 | 171.2 | -72.5 | 165.8 | 0 | 0 | 0 | 111.9 | M590 I593 F611 A647 R653 C654 H655 I682 M685 I686 | M590-L651 HydrophobicContact CG-CD2 4.28Å; I593-L651 HydrophobicContact CD1-CD2 3.99Å; I593-L651 HydrophobicContact CD1-CG 4.12Å; I593-L651 HydrophobicContact CG2-CD1 4.36Å; I593-L651 HydrophobicContact CG2-CD2 4.41Å; I593-L651 HydrophobicContact CG2-CG 4.13Å; F611-L651 HydrophobicContact CE1-CD1 4.47Å; F611-L651 HydrophobicContact CZ-CD1 4.04Å; A647-L651 WeakPolarHBondContact O-CB 3.25Å; A647-L651 WeakPolarHBondContact O-CD1 3.46Å; A647-L651 WeakPolarHBondContact O-CG 3.49Å; A647-L651 PolarHBondContact O-N 2.94Å; L651-R653 VanDerWaalsContact C-N 3.33Å; L651-R653 PolarHBondContact O-N 3.1Å; L651-C654 WeakPolarHBondContact O-CB 3.45Å; L651-C654 PolarHBondContact O-N 3.48Å; L651-H655 PolarHBondContact O-N 2.85Å; L651-I682 HydrophobicContact CB-CG2 4.27Å; L651-I682 HydrophobicContact CD2-CG2 4.4Å; L651-I682 WeakPolarHBondContact O-CG2 3.21Å; L651-M685 HydrophobicContact CD1-CB 3.59Å; L651-M685 HydrophobicContact CD1-CE 4.34Å; L651-M685 HydrophobicContact CD2-CB 4.18Å; L651-M685 HydrophobicContact CD2-CE 3.87Å; L651-M685 HydrophobicContact CD2-SD 4.08Å; L651-I686 HydrophobicContact CB-CD1 4.15Å; L651-I686 HydrophobicContact CB-CG1 3.58Å; L651-I686 HydrophobicContact CD1-CG1 4.32Å |
| 652 | Q | 98 | Very high | 94.9 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 174.1 | -171.4 | 64 | 55.2 | 0 | 0 | 111.4 | R648 I649 E650 C654 H655 D656 | R648-Q652 WeakPolarHBondContact O-CB 3.23Å; R648-Q652 PolarHBondContact O-N 3.3Å; I649-Q652 PolarHBondContact O-N 3.31Å; E650-Q652 VanDerWaalsContact C-N 3.32Å; E650-Q652 PolarHBondContact O-N 3.22Å; Q652-C654 VanDerWaalsContact C-N 3.33Å; Q652-C654 PolarHBondContact O-N 3.34Å; Q652-H655 WeakPolarHBondContact O-CB 3.5Å; Q652-H655 PolarHBondContact O-N 2.81Å; Q652-D656 PolarHBondContact NE2-OD1 2.85Å; Q652-D656 PolarHBondContact O-N 3.47Å |
| 653 | R | 97.7 | Very high | 94.7 | Very high | 132 Ų | 132 | 61 Ų | 61 | 50% | 0.498 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.3 | -68.6 | 170.4 | 179 | 173.9 | -4.8 | 111.9 | I649 E650 L651 D656 R657 | I649-R653 WeakPolarHBondContact O-CG 3.3Å; I649-R653 PolarHBondContact O-N 2.95Å; I649-R653 VanDerWaalsContact O-N 3.11Å; E650-R653 WeakPolarHBondContact O-CB 3.45Å; E650-R653 PolarHBondContact O-N 3.29Å; E650-R653 WeakPolarHBondContact OE2-CD 3.41Å; E650-R653 IonicContact OE2-CZ 3.32Å; E650-R653 IonicContact OE2-NE 3.36Å; E650-R653 IonicContact OE2-NH1 3.8Å; E650-R653 PolarHBondContact OE2-NH1 2.85Å; L651-R653 VanDerWaalsContact C-N 3.33Å; L651-R653 PolarHBondContact O-N 3.1Å; R653-D656 PolarHBondContact O-N 3.38Å; R653-R657 WeakPolarHBondContact O-CB 3.2Å; R653-R657 VanDerWaalsContact O-CG 3.28Å; R653-R657 WeakPolarHBondContact O-CG 3.38Å; R653-R657 PolarHBondContact O-N 3.32Å |
| 654 | C | 96.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 173.5 | -72.2 | 0 | 0 | 0 | 0 | 111.4 | T586 E650 L651 Q652 R657 L658 I682 | T586-C654 HydrophobicContact CG2-CB 3.65Å; E650-C654 PolarHBondContact O-N 2.92Å; E650-C654 PolarHBondContact O-SG 2.87Å; L651-C654 WeakPolarHBondContact O-CB 3.45Å; L651-C654 PolarHBondContact O-N 3.48Å; Q652-C654 VanDerWaalsContact C-N 3.33Å; Q652-C654 PolarHBondContact O-N 3.34Å; C654-R657 PolarHBondContact O-N 2.96Å; C654-L658 PolarHBondContact O-N 3.4Å; C654-L658 VanDerWaalsContact O-N 3.17Å; C654-I682 HydrophobicContact CB-CD1 4.23Å |
| 655 | H | 97.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 176.5 | -175.2 | -79.1 | 0 | 0 | 0 | 112 | L651 Q652 R657 L658 E659 I682 D683 | L651-H655 PolarHBondContact O-N 2.85Å; Q652-H655 WeakPolarHBondContact O-CB 3.5Å; Q652-H655 PolarHBondContact O-N 2.81Å; H655-R657 VanDerWaalsContact C-N 3.32Å; H655-R657 PolarHBondContact O-N 2.98Å; H655-L658 PolarHBondContact O-N 2.95Å; H655-E659 PolarHBondContact O-N 3.11Å; H655-I682 HydrophobicContact CB-CG2 3.88Å; H655-D683 IonicContact CD2-OD1 3.57Å; H655-D683 IonicContact NE2-OD1 2.73Å; H655-D683 IonicContact NE2-OD2 3.57Å |
| 656 | D | 96.4 | Very high | 92 | Very high | 79 Ų | 79 | 64.2 Ų | 64.2 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | -177.7 | -62.4 | -17.2 | 0 | 0 | 0 | 111.8 | Q652 R653 E659 V660 | Q652-D656 PolarHBondContact NE2-OD1 2.85Å; Q652-D656 PolarHBondContact O-N 3.47Å; R653-D656 PolarHBondContact O-N 3.38Å; D656-E659 PolarHBondContact O-N 2.86Å; D656-V660 WeakPolarHBondContact O-CG2 3.19Å; D656-V660 PolarHBondContact O-N 3.05Å |
| 657 | R | 93.6 | Very high | 91 | Very high | 96 Ų | 96 | 68.3 Ų | 68.3 | 36% | 0.362 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 173.8 | -79.2 | 178.3 | -178.4 | 179.4 | 4.3 | 112.2 | I582 R653 C654 H655 E659 V660 A661 | I582-R657 HydrophobicContact CD1-CB 4.2Å; I582-R657 HydrophobicContact CG1-CB 4.47Å; R653-R657 WeakPolarHBondContact O-CB 3.2Å; R653-R657 VanDerWaalsContact O-CG 3.28Å; R653-R657 WeakPolarHBondContact O-CG 3.38Å; R653-R657 PolarHBondContact O-N 3.32Å; C654-R657 PolarHBondContact O-N 2.96Å; H655-R657 VanDerWaalsContact C-N 3.32Å; H655-R657 PolarHBondContact O-N 2.98Å; R657-E659 VanDerWaalsContact C-N 3.34Å; R657-V660 PolarHBondContact O-N 2.74Å; R657-A661 WeakPolarHBondContact O-CB 3.36Å; R657-A661 PolarHBondContact O-N 3.45Å |
| 658 | L | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 176.2 | -72.4 | 177.1 | 0 | 0 | 0 | 112.1 | L583 T586 C654 H655 A661 K662 V678 Q679 I682 | L583-L658 HydrophobicContact CB-CD2 4.43Å; L583-L658 HydrophobicContact CD1-CD2 3.86Å; T586-L658 HydrophobicContact CG2-CD1 3.74Å; T586-L658 HydrophobicContact CG2-CD2 4.35Å; T586-L658 HydrophobicContact CG2-CG 3.91Å; C654-L658 PolarHBondContact O-N 3.4Å; C654-L658 VanDerWaalsContact O-N 3.17Å; H655-L658 PolarHBondContact O-N 2.95Å; L658-A661 PolarHBondContact O-N 3.32Å; L658-K662 VanDerWaalsContact O-CB 3.27Å; L658-K662 WeakPolarHBondContact O-CB 3.26Å; L658-K662 PolarHBondContact O-N 3.2Å; L658-V678 HydrophobicContact CD1-CB 4.46Å; L658-V678 HydrophobicContact CD1-CG1 3.84Å; L658-Q679 HydrophobicContact CB-CG 4.33Å; L658-Q679 HydrophobicContact CD1-CG 4.02Å; L658-I682 HydrophobicContact CD1-CD1 3.55Å |
| 659 | E | 93 | Very high | 89.9 | Confident | 54 Ų | 54 | 73.5 Ų | 73.5 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 176.6 | -83.7 | -62.8 | 130.3 | 0 | 0 | 112.8 | H655 D656 R657 K662 K663 Q679 | H655-E659 PolarHBondContact O-N 3.11Å; D656-E659 PolarHBondContact O-N 2.86Å; R657-E659 VanDerWaalsContact C-N 3.34Å; E659-K662 IonicContact OE1-NZ 2.7Å; E659-K663 WeakPolarHBondContact O-CG 3.29Å; E659-K663 PolarHBondContact O-N 2.91Å; E659-Q679 PolarHBondContact OE1-NE2 3.07Å; E659-Q679 PolarHBondContact OE1-OE1 3.03Å |
| 660 | V | 91.3 | Very high | 89.4 | Confident | 103 Ų | 103 | 71.7 Ų | 71.7 | 62% | 0.624 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65 | -46.5 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | D656 R657 K662 K663 | D656-V660 WeakPolarHBondContact O-CG2 3.19Å; D656-V660 PolarHBondContact O-N 3.05Å; R657-V660 PolarHBondContact O-N 2.74Å; V660-K662 VanDerWaalsContact C-N 3.31Å; V660-K662 PolarHBondContact O-N 3.42Å; V660-K663 PolarHBondContact O-N 3.47Å |
| 661 | A | 87.5 | Confident | 89 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I582 R657 L658 K663 A664 M665 | I582-A661 HydrophobicContact CB-CB 4.45Å; I582-A661 HydrophobicContact CG1-CB 4.23Å; I582-A661 HydrophobicContact CG2-CB 3.45Å; I582-A661 VanDerWaalsContact CG2-CB 3.45Å; R657-A661 WeakPolarHBondContact O-CB 3.36Å; R657-A661 PolarHBondContact O-N 3.45Å; L658-A661 PolarHBondContact O-N 3.32Å; A661-K663 PolarHBondContact O-N 3.04Å; A661-A664 WeakPolarHBondContact O-CA 3.27Å; A661-A664 WeakPolarHBondContact O-CB 3.37Å; A661-A664 PolarHBondContact O-N 3.33Å; A661-M665 HydrophobicContact CB-CE 3.72Å; A661-M665 WeakPolarHBondContact O-CG 3.3Å; A661-M665 PolarHBondContact O-N 3.04Å |
| 662 | K | 87.9 | Confident | 88.6 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.7 | -36 | -178.6 | -174.3 | 179.6 | 178.1 | 179.8 | 0 | 113.2 | L658 E659 V660 A664 M665 V675 | L658-K662 VanDerWaalsContact O-CB 3.27Å; L658-K662 WeakPolarHBondContact O-CB 3.26Å; L658-K662 PolarHBondContact O-N 3.2Å; E659-K662 IonicContact OE1-NZ 2.7Å; V660-K662 VanDerWaalsContact C-N 3.31Å; V660-K662 PolarHBondContact O-N 3.42Å; K662-A664 VanDerWaalsContact C-N 3.31Å; K662-M665 HydrophobicContact CB-CE 4.14Å; K662-M665 VanDerWaalsContact N-CE 3.29Å; K662-V675 HydrophobicContact CB-CG1 4.43Å; K662-V675 HydrophobicContact CD-CG1 4.18Å; K662-V675 HydrophobicContact CG-CG1 4.49Å |
| 663 | K | 87.4 | Confident | 88.4 | Confident | 173 Ų | 173 | 69.4 Ų | 69.4 | 75% | 0.752 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -72.4 | -23.8 | 177.1 | -68.1 | 172 | -175.1 | 175.6 | 0 | 113.3 | E659 V660 A661 | E659-K663 WeakPolarHBondContact O-CG 3.29Å; E659-K663 PolarHBondContact O-N 2.91Å; V660-K663 PolarHBondContact O-N 3.47Å; A661-K663 PolarHBondContact O-N 3.04Å |
| 664 | A | 80.5 | Confident | 88.2 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -89.8 | -11.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A661 K662 | A661-A664 WeakPolarHBondContact O-CA 3.27Å; A661-A664 WeakPolarHBondContact O-CB 3.37Å; A661-A664 PolarHBondContact O-N 3.33Å; K662-A664 VanDerWaalsContact C-N 3.31Å |
| 665 | M | 76.4 | Confident | 88.1 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 17% | 0.167 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -76.8 | 144.9 | -172.7 | -48 | -177.9 | -174.1 | 0 | 0 | 112.4 | M580 A661 K662 L671 V675 | M580-M665 HydrophobicContact CE-CE 3.17Å; M580-M665 HydrophobicContact CE-SD 3.66Å; M580-M665 HydrophobicContact SD-CE 3.16Å; M580-M665 WeakPolarHBondContact SD-CE 3.36Å; M580-M665 HydrophobicContact SD-CG 3.86Å; M580-M665 HydrophobicContact SD-SD 3.37Å; A661-M665 HydrophobicContact CB-CE 3.72Å; A661-M665 WeakPolarHBondContact O-CG 3.3Å; A661-M665 PolarHBondContact O-N 3.04Å; K662-M665 HydrophobicContact CB-CE 4.14Å; K662-M665 VanDerWaalsContact N-CE 3.29Å; M665-L671 HydrophobicContact SD-CD2 3.85Å; M665-L671 HydrophobicContact SD-CG 3.99Å; M665-V675 HydrophobicContact CE-CG2 3.71Å; M665-V675 HydrophobicContact SD-CG2 4.12Å |
| 666 | P | 71.4 | Confident | 87.9 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 60% | 0.597 | 33% | 0.325 | S | S | * | . | trans | -64.4 | 149.1 | 162.6 | 28.8 | -33.3 | 0 | 0 | 0 | 110.4 | N668 | P666-N668 PolarHBondContact O-N 3.2Š| ||
| 667 | Y | 73.7 | Confident | 87.9 | Confident | 218 Ų | 218 | 60.2 Ų | 60.2 | 86% | 0.855 | 31% | 0.308 | S | S | * | . | trans | -60.8 | 110.3 | 179.8 | -178 | -94.3 | 0 | 0 | 0 | 110.9 | ||||
| 668 | N | 83.7 | Confident | 88 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | trans | -141.3 | 113.6 | 172.9 | 180 | -15.4 | 0 | 0 | 0 | 108.1 | P666 E670 L671 A672 | P666-N668 PolarHBondContact O-N 3.2Å; N668-E670 PolarHBondContact O-N 2.75Å; N668-E670 PolarHBondContact OD1-N 3.36Å; N668-E670 VanDerWaalsContact OD1-N 3.16Å; N668-L671 HydrophobicContact CB-CB 3.91Å; N668-L671 PolarHBondContact O-N 3.42Å; N668-L671 PolarHBondContact OD1-N 3.15Å; N668-A672 WeakPolarHBondContact O-CB 3.1Å; N668-A672 PolarHBondContact O-N 3.07Å | ||
| 669 | Y | 87.8 | Confident | 88.2 | Confident | 116 Ų | 116 | 55.9 Ų | 55.9 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | -176.5 | 173.9 | -98.1 | 0 | 0 | 0 | 112.5 | L671 A672 L673 S743 | Y669-L671 VanDerWaalsContact C-N 3.33Å; Y669-L671 PolarHBondContact O-N 3.34Å; Y669-A672 PolarHBondContact O-N 3.14Å; Y669-L673 HydrophobicContact CE1-CD2 4.29Å; Y669-L673 WeakPolarHBondContact O-CB 3.3Å; Y669-L673 PolarHBondContact O-N 3.08Å; Y669-S743 PolarHBondContact OH-OG 3.11Å |
| 670 | E | 87.5 | Confident | 88.4 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | -179.1 | -75.6 | -64.3 | 134 | 0 | 0 | 111.5 | Q328 R332 N668 L673 C674 R744 | Q328-E670 PolarHBondContact NE2-OE1 3.17Å; Q328-E670 PolarHBondContact OE1-OE1 3.28Å; Q328-E670 PolarHBondContact OE1-OE2 3.39Å; R332-E670 IonicContact CZ-OE2 3.75Å; R332-E670 IonicContact NH1-OE2 3.95Å; R332-E670 IonicContact NH2-OE2 3.36Å; R332-E670 PolarHBondContact NH2-OE2 3.13Å; N668-E670 PolarHBondContact O-N 2.75Å; N668-E670 PolarHBondContact OD1-N 3.36Å; N668-E670 VanDerWaalsContact OD1-N 3.16Å; E670-L673 PolarHBondContact O-N 3.01Å; E670-C674 PolarHBondContact O-N 3.39Å; E670-C674 PolarHBondContact O-SG 3.29Å; E670-R744 IonicContact OE1-NH1 3.66Å; E670-R744 IonicContact OE2-CZ 3.96Å; E670-R744 VanDerWaalsContact OE2-CZ 3.25Å; E670-R744 IonicContact OE2-NH1 2.75Å; E670-R744 PolarHBondContact OE2-NH1 2.92Å; E670-R744 IonicContact OE2-NH2 3.61Å; E670-R744 PolarHBondContact OE2-NH2 2.82Å |
| 671 | L | 89 | Confident | 88.6 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 178.6 | -175.1 | 57.7 | 0 | 0 | 0 | 111.7 | T575 M580 M665 N668 Y669 L673 C674 V675 | T575-L671 HydrophobicContact CG2-CD1 3.74Å; M580-L671 HydrophobicContact CE-CD1 3.44Å; M580-L671 VanDerWaalsContact CE-CD1 3.44Å; M580-L671 HydrophobicContact CE-CD2 4.17Å; M580-L671 HydrophobicContact CE-CG 3.95Å; M580-L671 HydrophobicContact CG-CD1 3.95Å; M580-L671 HydrophobicContact CG-CD2 3.68Å; M580-L671 HydrophobicContact CG-CG 4.35Å; M580-L671 HydrophobicContact SD-CD1 4.19Å; M580-L671 HydrophobicContact SD-CD2 3.86Å; M580-L671 HydrophobicContact SD-CG 4.31Å; M665-L671 HydrophobicContact SD-CD2 3.85Å; M665-L671 HydrophobicContact SD-CG 3.99Å; N668-L671 HydrophobicContact CB-CB 3.91Å; N668-L671 PolarHBondContact O-N 3.42Å; N668-L671 PolarHBondContact OD1-N 3.15Å; Y669-L671 VanDerWaalsContact C-N 3.33Å; Y669-L671 PolarHBondContact O-N 3.34Å; L671-L673 VanDerWaalsContact C-N 3.25Å; L671-L673 PolarHBondContact O-N 2.79Å; L671-C674 PolarHBondContact O-N 3.1Å; L671-V675 WeakPolarHBondContact O-CG2 3.47Å; L671-V675 PolarHBondContact O-N 3.42Å |
| 672 | A | 91.1 | Very high | 89.1 | Confident | 43 Ų | 43 | 48 Ų | 48 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N668 Y669 A676 | N668-A672 WeakPolarHBondContact O-CB 3.1Å; N668-A672 PolarHBondContact O-N 3.07Å; Y669-A672 PolarHBondContact O-N 3.14Å; A672-A676 WeakPolarHBondContact O-CB 3.37Å; A672-A676 PolarHBondContact O-N 3.48Å |
| 673 | L | 93.2 | Very high | 89.5 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 175.1 | -178 | 58.5 | 0 | 0 | 0 | 111.7 | Y669 E670 L671 V675 A676 E677 A740 R744 | Y669-L673 HydrophobicContact CE1-CD2 4.29Å; Y669-L673 WeakPolarHBondContact O-CB 3.3Å; Y669-L673 PolarHBondContact O-N 3.08Å; E670-L673 PolarHBondContact O-N 3.01Å; L671-L673 VanDerWaalsContact C-N 3.25Å; L671-L673 PolarHBondContact O-N 2.79Å; L673-V675 VanDerWaalsContact C-N 3.3Å; L673-V675 PolarHBondContact O-N 3.37Å; L673-A676 PolarHBondContact O-N 2.98Å; L673-A676 VanDerWaalsContact O-N 3.16Å; L673-E677 HydrophobicContact CD1-CG 4.36Å; L673-E677 WeakPolarHBondContact O-CB 3.42Å; L673-E677 WeakPolarHBondContact O-CG 3.43Å; L673-E677 PolarHBondContact O-N 3.29Å; L673-A740 HydrophobicContact CD1-CB 4.32Å; L673-R744 HydrophobicContact CD2-CG 4.16Å |
| 674 | C | 93.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -41.2 | 176.1 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | S539 L583 E670 L671 E677 V678 | S539-C674 WeakPolarHBondContact OG-CB 3.34Å; S539-C674 PolarHBondContact OG-SG 3.49Å; S539-C674 VanDerWaalsContact OG-SG 3.34Å; L583-C674 HydrophobicContact CD2-CB 4.29Å; E670-C674 PolarHBondContact O-N 3.39Å; E670-C674 PolarHBondContact O-SG 3.29Å; L671-C674 PolarHBondContact O-N 3.1Å; C674-E677 PolarHBondContact O-N 3.46Å; C674-V678 WeakPolarHBondContact O-CG2 3.44Å; C674-V678 PolarHBondContact O-N 3.2Å; C674-V678 VanDerWaalsContact O-N 3.08Å |
| 675 | V | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | M580 L583 K662 M665 L671 L673 E677 V678 Q679 | M580-V675 HydrophobicContact CE-CG2 3.75Å; L583-V675 HydrophobicContact CD1-CG2 4.28Å; K662-V675 HydrophobicContact CB-CG1 4.43Å; K662-V675 HydrophobicContact CD-CG1 4.18Å; K662-V675 HydrophobicContact CG-CG1 4.49Å; M665-V675 HydrophobicContact CE-CG2 3.71Å; M665-V675 HydrophobicContact SD-CG2 4.12Å; L671-V675 WeakPolarHBondContact O-CG2 3.47Å; L671-V675 PolarHBondContact O-N 3.42Å; L673-V675 VanDerWaalsContact C-N 3.3Å; L673-V675 PolarHBondContact O-N 3.37Å; V675-E677 VanDerWaalsContact C-N 3.34Å; V675-E677 PolarHBondContact O-N 3.19Å; V675-V678 PolarHBondContact O-N 3.4Å; V675-Q679 HydrophobicContact CG1-CG 4.32Å; V675-Q679 WeakPolarHBondContact O-CB 3.47Å; V675-Q679 VanDerWaalsContact O-CG 3.23Å; V675-Q679 WeakPolarHBondContact O-CG 3.36Å; V675-Q679 PolarHBondContact O-N 3.05Å |
| 676 | A | 94.4 | Very high | 91.7 | Very high | 30 Ų | 30 | 31.1 Ų | 31.1 | 25% | 0.248 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A672 L673 Q679 L680 | A672-A676 WeakPolarHBondContact O-CB 3.37Å; A672-A676 PolarHBondContact O-N 3.48Å; L673-A676 PolarHBondContact O-N 2.98Å; L673-A676 VanDerWaalsContact O-N 3.16Å; A676-Q679 PolarHBondContact O-N 2.78Å; A676-L680 WeakPolarHBondContact O-CG 3.5Å; A676-L680 PolarHBondContact O-N 3.02Å |
| 677 | E | 95.5 | Very high | 92.9 | Very high | 11 Ų | 11 | 27 Ų | 27 | 5% | 0.051 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 174.7 | -77.9 | 173.9 | -177.5 | 0 | 0 | 112 | P537 S539 L673 C674 V675 L680 V681 A740 R744 | P537-E677 HydrophobicContact CB-CB 3.67Å; P537-E677 HydrophobicContact CB-CG 3.85Å; P537-E677 HydrophobicContact CG-CB 3.83Å; S539-E677 WeakPolarHBondContact CB-OE2 3.37Å; S539-E677 PolarHBondContact OG-OE2 3.28Å; L673-E677 HydrophobicContact CD1-CG 4.36Å; L673-E677 WeakPolarHBondContact O-CB 3.42Å; L673-E677 WeakPolarHBondContact O-CG 3.43Å; L673-E677 PolarHBondContact O-N 3.29Å; C674-E677 PolarHBondContact O-N 3.46Å; V675-E677 VanDerWaalsContact C-N 3.34Å; V675-E677 PolarHBondContact O-N 3.19Å; E677-L680 WeakPolarHBondContact O-CB 3.4Å; E677-L680 PolarHBondContact O-N 2.94Å; E677-V681 PolarHBondContact O-N 3.31Å; E677-A740 HydrophobicContact CG-CB 4.4Å; E677-R744 WeakPolarHBondContact OE1-CG 3.48Å; E677-R744 IonicContact OE1-NE 2.66Å; E677-R744 PolarHBondContact OE1-NE 2.79Å |
| 678 | V | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L540 L583 I587 L658 C674 V675 L680 V681 I682 | L540-V678 HydrophobicContact CD2-CG2 4.03Å; L583-V678 HydrophobicContact CD1-CB 4.07Å; L583-V678 HydrophobicContact CD1-CG1 4.31Å; L583-V678 HydrophobicContact CD1-CG2 3.86Å; I587-V678 HydrophobicContact CD1-CG2 4.01Å; I587-V678 HydrophobicContact CG1-CG1 4.11Å; I587-V678 HydrophobicContact CG1-CG2 4.05Å; L658-V678 HydrophobicContact CD1-CB 4.46Å; L658-V678 HydrophobicContact CD1-CG1 3.84Å; C674-V678 WeakPolarHBondContact O-CG2 3.44Å; C674-V678 PolarHBondContact O-N 3.2Å; C674-V678 VanDerWaalsContact O-N 3.08Å; V675-V678 PolarHBondContact O-N 3.4Å; V678-L680 VanDerWaalsContact C-N 3.31Å; V678-L680 PolarHBondContact O-N 3.34Å; V678-V681 PolarHBondContact O-N 3.44Å; V678-I682 HydrophobicContact CG1-CD1 4Å; V678-I682 HydrophobicContact CG1-CG1 4.49Å; V678-I682 WeakPolarHBondContact O-CG1 3.36Å; V678-I682 PolarHBondContact O-N 2.97Å |
| 679 | Q | 96.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 13.7 Ų | 13.7 | 3% | 0.028 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 175.4 | -75.1 | 177 | -34.6 | 0 | 0 | 112.6 | L658 E659 V675 A676 V681 I682 D683 | L658-Q679 HydrophobicContact CB-CG 4.33Å; L658-Q679 HydrophobicContact CD1-CG 4.02Å; E659-Q679 PolarHBondContact OE1-NE2 3.07Å; E659-Q679 PolarHBondContact OE1-OE1 3.03Å; V675-Q679 HydrophobicContact CG1-CG 4.32Å; V675-Q679 WeakPolarHBondContact O-CB 3.47Å; V675-Q679 VanDerWaalsContact O-CG 3.23Å; V675-Q679 WeakPolarHBondContact O-CG 3.36Å; V675-Q679 PolarHBondContact O-N 3.05Å; A676-Q679 PolarHBondContact O-N 2.78Å; Q679-V681 VanDerWaalsContact C-N 3.34Å; Q679-V681 PolarHBondContact O-N 2.67Å; Q679-I682 PolarHBondContact O-N 3.44Å; Q679-D683 WeakPolarHBondContact O-CB 3.44Å; Q679-D683 PolarHBondContact O-N 2.99Å |
| 680 | L | 96.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 12.4 Ų | 12.4 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 174.6 | -79 | 166.8 | 0 | 0 | 0 | 112 | A676 E677 V678 D683 M684 I733 R736 F737 A740 | A676-L680 WeakPolarHBondContact O-CG 3.5Å; A676-L680 PolarHBondContact O-N 3.02Å; E677-L680 WeakPolarHBondContact O-CB 3.4Å; E677-L680 PolarHBondContact O-N 2.94Å; V678-L680 VanDerWaalsContact C-N 3.31Å; V678-L680 PolarHBondContact O-N 3.34Å; L680-D683 PolarHBondContact O-N 3.45Å; L680-M684 WeakPolarHBondContact O-CB 3.5Å; L680-M684 PolarHBondContact O-N 3.41Å; L680-I733 HydrophobicContact CD2-CG2 3.94Å; L680-R736 HydrophobicContact CD2-CB 3.62Å; L680-F737 HydrophobicContact CD1-CB 4.4Å; L680-F737 HydrophobicContact CD2-CB 4.29Å; L680-A740 HydrophobicContact CD1-CB 3.68Å |
| 681 | V | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 177.3 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | F498 I535 P537 L540 M590 E677 V678 Q679 D683 M684 M685 | F498-V681 HydrophobicContact CB-CG1 4.34Å; F498-V681 HydrophobicContact CD2-CG1 3.99Å; F498-V681 HydrophobicContact CG-CG1 4.25Å; I535-V681 HydrophobicContact CG1-CG2 4.4Å; P537-V681 HydrophobicContact CG-CG2 4.23Å; L540-V681 HydrophobicContact CD1-CG1 4.36Å; L540-V681 HydrophobicContact CD1-CG2 4.2Å; M590-V681 HydrophobicContact CE-CG1 3.94Å; M590-V681 HydrophobicContact SD-CB 4.27Å; M590-V681 HydrophobicContact SD-CG1 3.77Å; E677-V681 PolarHBondContact O-N 3.31Å; V678-V681 PolarHBondContact O-N 3.44Å; Q679-V681 VanDerWaalsContact C-N 3.34Å; Q679-V681 PolarHBondContact O-N 2.67Å; V681-D683 PolarHBondContact O-N 2.78Å; V681-M684 PolarHBondContact O-N 2.89Å; V681-M685 HydrophobicContact CG1-CG 4.47Å; V681-M685 HydrophobicContact CG1-SD 4.14Å; V681-M685 WeakPolarHBondContact O-CG 3.37Å; V681-M685 PolarHBondContact O-N 3.37Å |
| 682 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 177.1 | -66.4 | 167.3 | 0 | 0 | 0 | 111 | T586 M590 L651 C654 H655 L658 V678 Q679 M684 M685 I686 | T586-I682 HydrophobicContact CG2-CD1 3.76Å; M590-I682 HydrophobicContact SD-CG1 3.63Å; L651-I682 HydrophobicContact CB-CG2 4.27Å; L651-I682 HydrophobicContact CD2-CG2 4.4Å; L651-I682 WeakPolarHBondContact O-CG2 3.21Å; C654-I682 HydrophobicContact CB-CD1 4.23Å; H655-I682 HydrophobicContact CB-CG2 3.88Å; L658-I682 HydrophobicContact CD1-CD1 3.55Å; V678-I682 HydrophobicContact CG1-CD1 4Å; V678-I682 HydrophobicContact CG1-CG1 4.49Å; V678-I682 WeakPolarHBondContact O-CG1 3.36Å; V678-I682 PolarHBondContact O-N 2.97Å; Q679-I682 PolarHBondContact O-N 3.44Å; I682-M684 VanDerWaalsContact C-N 3.28Å; I682-M684 PolarHBondContact O-N 2.91Å; I682-M685 PolarHBondContact O-N 3.49Å; I682-I686 HydrophobicContact CG2-CD1 3.81Å; I682-I686 HydrophobicContact CG2-CG1 4.34Å; I682-I686 VanDerWaalsContact O-CG1 3.29Å; I682-I686 WeakPolarHBondContact O-CG1 3.33Å; I682-I686 PolarHBondContact O-N 3.28Å |
| 683 | D | 97.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 178 | -84.3 | -43 | 0 | 0 | 0 | 112.2 | H655 Q679 L680 V681 I686 L687 R729 I733 R736 | H655-D683 IonicContact CD2-OD1 3.57Å; H655-D683 IonicContact NE2-OD1 2.73Å; H655-D683 IonicContact NE2-OD2 3.57Å; Q679-D683 WeakPolarHBondContact O-CB 3.44Å; Q679-D683 PolarHBondContact O-N 2.99Å; L680-D683 PolarHBondContact O-N 3.45Å; V681-D683 PolarHBondContact O-N 2.78Å; D683-I686 PolarHBondContact O-N 2.79Å; D683-L687 PolarHBondContact O-N 3.05Å; D683-R729 IonicContact OD1-CZ 3.56Å; D683-R729 IonicContact OD1-NH2 3.87Å; D683-R729 PolarHBondContact OD1-NH2 2.82Å; D683-R729 IonicContact OD2-NH2 3.86Å; D683-I733 HydrophobicContact CB-CD1 3.89Å; D683-I733 HydrophobicContact CB-CG1 4.02Å; D683-R736 IonicContact OD2-CZ 3.35Å; D683-R736 IonicContact OD2-NH1 2.85Å; D683-R736 PolarHBondContact OD2-NH1 2.83Å; D683-R736 IonicContact OD2-NH2 3.41Å; D683-R736 PolarHBondContact OD2-NH2 2.87Å |
| 684 | M | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | 177.2 | -166.2 | 58.7 | 153.6 | 0 | 0 | 111.9 | I535 L615 L680 V681 I682 L687 G688 L730 F757 L760 | I535-M684 HydrophobicContact CD1-CB 3.34Å; I535-M684 HydrophobicContact CD1-CG 3.51Å; L615-M684 HydrophobicContact CB-CE 4.5Å; L615-M684 HydrophobicContact CD1-CE 3.92Å; L615-M684 HydrophobicContact CD1-CG 3.38Å; L615-M684 HydrophobicContact CD1-SD 4.35Å; L615-M684 HydrophobicContact CD2-CE 3.58Å; L615-M684 HydrophobicContact CD2-CG 3.67Å; L615-M684 HydrophobicContact CD2-SD 3.75Å; L615-M684 HydrophobicContact CG-CE 4.15Å; L615-M684 HydrophobicContact CG-CG 4.13Å; L680-M684 WeakPolarHBondContact O-CB 3.5Å; L680-M684 PolarHBondContact O-N 3.41Å; V681-M684 PolarHBondContact O-N 2.89Å; I682-M684 VanDerWaalsContact C-N 3.28Å; I682-M684 PolarHBondContact O-N 2.91Å; M684-L687 WeakPolarHBondContact O-CB 3.4Å; M684-L687 PolarHBondContact O-N 3.17Å; M684-L687 HydrophobicContact SD-CD2 3.89Å; M684-G688 PolarHBondContact O-N 3.37Å; M684-L730 HydrophobicContact CE-CD1 3.85Å; M684-L730 HydrophobicContact SD-CD1 4.1Å; M684-F757 HydrophobicContact CE-CD1 4.13Å; M684-F757 HydrophobicContact CE-CE1 3.85Å; M684-F757 HydrophobicContact CE-CZ 4.45Å; M684-F757 HydrophobicContact SD-CE1 4.39Å; M684-L760 HydrophobicContact CE-CD2 4.01Å |
| 685 | M | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 171.2 | -68.3 | 174.3 | 74.3 | 0 | 0 | 111.9 | F498 M590 E594 F611 L651 V681 I682 G688 A689 | F498-M685 HydrophobicContact CD2-CG 3.98Å; F498-M685 HydrophobicContact CD2-SD 3.99Å; F498-M685 HydrophobicContact CE2-CG 3.75Å; F498-M685 HydrophobicContact CE2-SD 4.37Å; M590-M685 HydrophobicContact CG-CE 3.91Å; M590-M685 HydrophobicContact CG-SD 3.39Å; M590-M685 WeakPolarHBondContact CG-SD 3.39Å; M590-M685 HydrophobicContact SD-SD 3.75Å; E594-M685 HydrophobicContact CB-CE 3.82Å; F611-M685 HydrophobicContact CD1-CB 4.08Å; F611-M685 HydrophobicContact CD1-CG 4.23Å; F611-M685 HydrophobicContact CD2-CE 3.62Å; F611-M685 HydrophobicContact CD2-CG 4.43Å; F611-M685 HydrophobicContact CE1-CB 4Å; F611-M685 WeakPolarHBondContact CE1-O 3.13Å; F611-M685 HydrophobicContact CE2-CE 3.45Å; F611-M685 VanDerWaalsContact CE2-CE 3.45Å; F611-M685 HydrophobicContact CG-CB 4.49Å; F611-M685 HydrophobicContact CG-CE 4.29Å; F611-M685 HydrophobicContact CG-CG 4.17Å; F611-M685 HydrophobicContact CZ-CB 4.31Å; F611-M685 HydrophobicContact CZ-CE 4.03Å; L651-M685 HydrophobicContact CD1-CB 3.59Å; L651-M685 HydrophobicContact CD1-CE 4.34Å; L651-M685 HydrophobicContact CD2-CB 4.18Å; L651-M685 HydrophobicContact CD2-CE 3.87Å; L651-M685 HydrophobicContact CD2-SD 4.08Å; V681-M685 HydrophobicContact CG1-CG 4.47Å; V681-M685 HydrophobicContact CG1-SD 4.14Å; V681-M685 WeakPolarHBondContact O-CG 3.37Å; V681-M685 PolarHBondContact O-N 3.37Å; I682-M685 PolarHBondContact O-N 3.49Å; M685-G688 PolarHBondContact O-N 3.11Å; M685-A689 WeakPolarHBondContact O-CB 3.45Å; M685-A689 PolarHBondContact O-N 3.38Å |
| 686 | I | 97.7 | Very high | 94.7 | Very high | 6 Ų | 6 | 9.4 Ų | 9.4 | 3% | 0.031 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.1 | -71.8 | 168.3 | 0 | 0 | 0 | 110.3 | R648 L651 I682 D683 A689 R690 | R648-I686 HydrophobicContact CG-CG2 4.23Å; L651-I686 HydrophobicContact CB-CD1 4.15Å; L651-I686 HydrophobicContact CB-CG1 3.58Å; L651-I686 HydrophobicContact CD1-CG1 4.32Å; I682-I686 HydrophobicContact CG2-CD1 3.81Å; I682-I686 HydrophobicContact CG2-CG1 4.34Å; I682-I686 VanDerWaalsContact O-CG1 3.29Å; I682-I686 WeakPolarHBondContact O-CG1 3.33Å; I682-I686 PolarHBondContact O-N 3.28Å; D683-I686 PolarHBondContact O-N 2.79Å; I686-A689 PolarHBondContact O-N 2.85Å; I686-R690 WeakPolarHBondContact O-CG 3.48Å; I686-R690 PolarHBondContact O-N 2.8Å |
| 687 | L | 96.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 12.7 Ų | 12.7 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 174.3 | -172.9 | 82.5 | 0 | 0 | 0 | 110.6 | D683 M684 A689 R690 L691 L726 R729 L730 I733 L760 | D683-L687 PolarHBondContact O-N 3.05Å; M684-L687 WeakPolarHBondContact O-CB 3.4Å; M684-L687 PolarHBondContact O-N 3.17Å; M684-L687 HydrophobicContact SD-CD2 3.89Å; L687-A689 VanDerWaalsContact C-N 3.31Å; L687-A689 PolarHBondContact O-N 3.39Å; L687-R690 WeakPolarHBondContact O-CB 3.39Å; L687-R690 PolarHBondContact O-N 3.49Å; L687-R690 VanDerWaalsContact O-N 3.15Å; L687-L691 PolarHBondContact O-N 3.17Å; L687-L726 HydrophobicContact CD1-CB 4.34Å; L687-L726 HydrophobicContact CD1-CD2 3.66Å; L687-L726 HydrophobicContact CG-CD2 4.34Å; L687-R729 HydrophobicContact CD1-CB 3.92Å; L687-R729 HydrophobicContact CD1-CG 3.95Å; L687-L730 HydrophobicContact CD2-CB 4.08Å; L687-L730 HydrophobicContact CD2-CD1 3.74Å; L687-L730 HydrophobicContact CD2-CG 4.45Å; L687-I733 HydrophobicContact CB-CD1 4.39Å; L687-L760 HydrophobicContact CD2-CD2 4.29Å |
| 688 | G | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M684 M685 L691 G692 | M684-G688 PolarHBondContact O-N 3.37Å; M685-G688 PolarHBondContact O-N 3.11Å; G688-L691 PolarHBondContact O-N 3.11Å; G688-G692 PolarHBondContact O-N 2.82Å |
| 689 | A | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.6 | -36.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F611 F644 R648 M685 I686 L687 Q693 | F611-A689 HydrophobicContact CE1-CB 4.06Å; F644-A689 HydrophobicContact CD1-CB 4.38Å; R648-A689 HydrophobicContact CB-CB 3.89Å; R648-A689 HydrophobicContact CG-CB 4.49Å; M685-A689 WeakPolarHBondContact O-CB 3.45Å; M685-A689 PolarHBondContact O-N 3.38Å; I686-A689 PolarHBondContact O-N 2.85Å; L687-A689 VanDerWaalsContact C-N 3.31Å; L687-A689 PolarHBondContact O-N 3.39Å; A689-Q693 PolarHBondContact O-N 3.12Å; A689-Q693 PolarHBondContact O-NE2 2.85Å |
| 690 | R | 95.7 | Very high | 90.1 | Very high | 89 Ų | 89 | 16.5 Ų | 16.5 | 34% | 0.336 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 173.2 | -72.7 | 179.4 | -176.5 | -165.5 | 3.1 | 111.3 | R648 I686 L687 Q693 A694 D725 L726 | R648-R690 VanDerWaalsContact CD-CG 3.48Å; R648-R690 HydrophobicContact CG-CG 4.48Å; I686-R690 WeakPolarHBondContact O-CG 3.48Å; I686-R690 PolarHBondContact O-N 2.8Å; L687-R690 WeakPolarHBondContact O-CB 3.39Å; L687-R690 PolarHBondContact O-N 3.49Å; L687-R690 VanDerWaalsContact O-N 3.15Å; R690-Q693 WeakPolarHBondContact O-CB 3.4Å; R690-Q693 PolarHBondContact O-N 3.43Å; R690-A694 PolarHBondContact O-N 2.67Å; R690-D725 IonicContact NH1-OD2 3.46Å; R690-L726 HydrophobicContact CB-CD2 3.89Å |
| 691 | L | 93.6 | Very high | 88 | Confident | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 176.1 | -179.3 | 50.9 | 0 | 0 | 0 | 110.9 | I614 P618 L687 G688 Q693 A694 L695 V715 L718 L726 L760 | I614-L691 HydrophobicContact CG2-CB 4.19Å; I614-L691 HydrophobicContact CG2-CD2 3.7Å; I614-L691 HydrophobicContact CG2-CG 4.06Å; P618-L691 HydrophobicContact CB-CD2 3.78Å; P618-L691 HydrophobicContact CB-CG 4.39Å; P618-L691 HydrophobicContact CG-CD2 4.18Å; L687-L691 PolarHBondContact O-N 3.17Å; G688-L691 PolarHBondContact O-N 3.11Å; L691-Q693 VanDerWaalsContact C-N 3.35Å; L691-Q693 PolarHBondContact O-N 3.01Å; L691-A694 WeakPolarHBondContact O-CB 3.27Å; L691-A694 PolarHBondContact O-N 2.85Å; L691-A694 VanDerWaalsContact O-N 3.1Å; L691-L695 HydrophobicContact CD1-CD1 4.37Å; L691-L695 HydrophobicContact CD1-CG 4.18Å; L691-L695 HydrophobicContact CG-CD1 4.31Å; L691-L695 WeakPolarHBondContact O-CG 3.46Å; L691-L695 PolarHBondContact O-N 2.82Å; L691-V715 HydrophobicContact CD1-CG2 4.2Å; L691-L718 HydrophobicContact CD1-CD1 3.62Å; L691-L726 HydrophobicContact CB-CD1 4.27Å; L691-L726 HydrophobicContact CD1-CD1 3.9Å; L691-L760 HydrophobicContact CD2-CD1 4.21Å |
| 692 | G | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G688 L695 C696 | G688-G692 PolarHBondContact O-N 2.82Å; G692-L695 PolarHBondContact O-N 2.78Å; G692-C696 PolarHBondContact O-N 3.15Å; G692-C696 PolarHBondContact O-SG 2.83Å |
| 693 | Q | 92.1 | Very high | 83.4 | Confident | 20 Ų | 20 | 31 Ų | 31 | 9% | 0.093 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58 | -48.3 | 171.1 | -93 | 156.1 | 95.3 | 0 | 0 | 111.9 | F641 F644 A689 R690 L691 L695 C696 I697 | F641-Q693 HydrophobicContact CD2-CB 4.08Å; F641-Q693 HydrophobicContact CD2-CG 3.85Å; F641-Q693 HydrophobicContact CE2-CB 3.93Å; F641-Q693 HydrophobicContact CE2-CG 3.73Å; F641-Q693 HydrophobicContact CZ-CG 4.34Å; F644-Q693 HydrophobicContact CB-CG 3.71Å; F644-Q693 PolarHBondContact O-NE2 3.46Å; A689-Q693 PolarHBondContact O-N 3.12Å; A689-Q693 PolarHBondContact O-NE2 2.85Å; R690-Q693 WeakPolarHBondContact O-CB 3.4Å; R690-Q693 PolarHBondContact O-N 3.43Å; L691-Q693 VanDerWaalsContact C-N 3.35Å; L691-Q693 PolarHBondContact O-N 3.01Å; Q693-L695 PolarHBondContact O-N 3.22Å; Q693-C696 WeakPolarHBondContact O-CB 3.43Å; Q693-C696 PolarHBondContact O-N 2.88Å; Q693-I697 WeakPolarHBondContact O-CG1 3.31Å; Q693-I697 PolarHBondContact O-N 3.36Å; Q693-I697 VanDerWaalsContact O-N 3.07Å |
| 694 | A | 91.2 | Very high | 81.3 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R690 L691 C696 I697 V698 L718 T722 | R690-A694 PolarHBondContact O-N 2.67Å; L691-A694 WeakPolarHBondContact O-CB 3.27Å; L691-A694 PolarHBondContact O-N 2.85Å; L691-A694 VanDerWaalsContact O-N 3.1Å; A694-C696 VanDerWaalsContact C-N 3.32Å; A694-C696 PolarHBondContact O-N 3.4Å; A694-I697 PolarHBondContact O-N 3.03Å; A694-I697 VanDerWaalsContact O-N 3.16Å; A694-V698 PolarHBondContact O-N 2.82Å; A694-L718 HydrophobicContact CB-CD1 4.15Å; A694-L718 HydrophobicContact CB-CD2 3.64Å; A694-T722 HydrophobicContact CB-CG2 3.94Å |
| 695 | L | 88.2 | Confident | 79.2 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 175 | -66.6 | 174.7 | 0 | 0 | 0 | 111.8 | P618 L621 L623 L691 G692 Q693 I697 V698 G699 V715 L718 | P618-L695 HydrophobicContact CB-CD1 4.3Å; L621-L695 HydrophobicContact CD2-CD1 4.01Å; L623-L695 HydrophobicContact CD1-CB 4.13Å; L691-L695 HydrophobicContact CD1-CD1 4.37Å; L691-L695 HydrophobicContact CD1-CG 4.18Å; L691-L695 HydrophobicContact CG-CD1 4.31Å; L691-L695 WeakPolarHBondContact O-CG 3.46Å; L691-L695 PolarHBondContact O-N 2.82Å; G692-L695 PolarHBondContact O-N 2.78Å; Q693-L695 PolarHBondContact O-N 3.22Å; L695-I697 VanDerWaalsContact C-N 3.31Å; L695-I697 PolarHBondContact O-N 3.19Å; L695-V698 PolarHBondContact O-N 2.95Å; L695-G699 PolarHBondContact O-N 3.36Å; L695-V715 HydrophobicContact CD2-CG2 4.31Å; L695-L718 HydrophobicContact CD2-CD2 4.18Å |
| 696 | C | 86.2 | Confident | 76.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -33.5 | 173.7 | -67 | 0 | 0 | 0 | 0 | 112.8 | L637 F641 G692 Q693 A694 | L637-C696 HydrophobicContact CD1-CB 3.94Å; L637-C696 WeakPolarHBondContact CD2-O 3.39Å; L637-C696 HydrophobicContact CG-CB 4.25Å; L637-C696 WeakPolarHBondContact CG-O 3.47Å; F641-C696 HydrophobicContact CB-CB 3.92Å; F641-C696 HydrophobicContact CD2-CB 4.39Å; G692-C696 PolarHBondContact O-N 3.15Å; G692-C696 PolarHBondContact O-SG 2.83Å; Q693-C696 WeakPolarHBondContact O-CB 3.43Å; Q693-C696 PolarHBondContact O-N 2.88Å; A694-C696 VanDerWaalsContact C-N 3.32Å; A694-C696 PolarHBondContact O-N 3.4Å |
| 697 | I | 83.5 | Confident | 74.8 | Confident | 99 Ų | 99 | 50.9 Ų | 50.9 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.8 | -48.4 | 176.9 | -67.6 | 163.9 | 0 | 0 | 0 | 110.1 | F641 Q693 A694 L695 T700 | F641-I697 HydrophobicContact CD2-CD1 4.27Å; F641-I697 HydrophobicContact CD2-CG1 3.94Å; F641-I697 HydrophobicContact CE2-CD1 3.69Å; F641-I697 HydrophobicContact CE2-CG1 3.84Å; Q693-I697 WeakPolarHBondContact O-CG1 3.31Å; Q693-I697 PolarHBondContact O-N 3.36Å; Q693-I697 VanDerWaalsContact O-N 3.07Å; A694-I697 PolarHBondContact O-N 3.03Å; A694-I697 VanDerWaalsContact O-N 3.16Å; L695-I697 VanDerWaalsContact C-N 3.31Å; L695-I697 PolarHBondContact O-N 3.19Å; I697-T700 PolarHBondContact O-N 2.92Å; I697-T700 PolarHBondContact O-OG1 3.32Å |
| 698 | V | 78.1 | Confident | 72.7 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.7 | -31.8 | -176.1 | 173.5 | 0 | 0 | 0 | 0 | 112.8 | A694 L695 T700 F713 N717 L718 | A694-V698 PolarHBondContact O-N 2.82Å; L695-V698 PolarHBondContact O-N 2.95Å; V698-T700 PolarHBondContact O-N 3.45Å; V698-F713 HydrophobicContact CG1-CB 4.38Å; V698-F713 HydrophobicContact CG1-CD2 4.47Å; V698-F713 WeakPolarHBondContact O-CD2 3.42Å; V698-N717 HydrophobicContact CG1-CB 3.44Å; V698-N717 VanDerWaalsContact CG1-CB 3.44Å; V698-L718 HydrophobicContact CB-CD2 4.22Å; V698-L718 HydrophobicContact CG2-CD2 3.62Å |
| 699 | G | 66.5 | Low | 70.6 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -3.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | L695 N701 A711 | L695-G699 PolarHBondContact O-N 3.36Å; G699-N701 PolarHBondContact O-N 2.87Å; G699-A711 WeakPolarHBondContact CA-O 3.47Å |
| 700 | T | 58.4 | Low | 68.7 | Low | 59 Ų | 59 | 57.2 Ų | 57.2 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -68.5 | 116.9 | 167 | 54.2 | 0 | 0 | 0 | 0 | 108.4 | Y634 L637 I697 V698 P702 | Y634-T700 HydrophobicContact CD1-CG2 4.42Å; Y634-T700 HydrophobicContact CE1-CG2 4.37Å; L637-T700 HydrophobicContact CD2-CG2 3.58Å; I697-T700 PolarHBondContact O-N 2.92Å; I697-T700 PolarHBondContact O-OG1 3.32Å; V698-T700 PolarHBondContact O-N 3.45Å; T700-P702 WeakPolarHBondContact O-CD 3.36Å; T700-P702 VanDerWaalsContact O-N 3.11Å |
| 701 | N | 52.2 | Low | 67 | Low | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | trans | -60.8 | 117.6 | 171.9 | -177.9 | -0.8 | 0 | 0 | 0 | 108.7 | Y634 G699 R703 C706 V708 N709 | Y634-N701 PolarHBondContact OH-O 3.24Å; G699-N701 PolarHBondContact O-N 2.87Å; N701-R703 PolarHBondContact ND2-O 3.03Å; N701-R703 PolarHBondContact O-N 3.07Å; N701-R703 PolarHBondContact OD1-N 3.18Å; N701-R703 VanDerWaalsContact OD1-N 3.11Å; N701-R703 PolarHBondContact OD1-O 3.36Å; N701-C706 PolarHBondContact ND2-O 3.43Å; N701-C706 VanDerWaalsContact ND2-O 3.14Å; N701-V708 PolarHBondContact ND2-O 3.45Å; N701-V708 VanDerWaalsContact ND2-O 3.17Å; N701-N709 WeakPolarHBondContact CB-O 3.1Å | ||
| 702 | P | 49.9 | Very low | 65.7 | Low | 119 Ų | 119 | 55.4 Ų | 55.4 | 77% | 0.773 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -71.5 | -14.6 | -177.1 | 27.5 | -33.7 | 0 | 0 | 0 | 113 | T700 | T700-P702 WeakPolarHBondContact O-CD 3.36Å; T700-P702 VanDerWaalsContact O-N 3.11Å |
| 703 | R | 47.5 | Very low | 64.5 | Low | 182 Ų | 182 | 59.5 Ų | 59.5 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -130.6 | 117.5 | 176.8 | -72 | -179.3 | 168.5 | 169.7 | -4.5 | 108.5 | N701 D705 C706 | N701-R703 PolarHBondContact ND2-O 3.03Å; N701-R703 PolarHBondContact O-N 3.07Å; N701-R703 PolarHBondContact OD1-N 3.18Å; N701-R703 VanDerWaalsContact OD1-N 3.11Å; N701-R703 PolarHBondContact OD1-O 3.36Å; R703-D705 PolarHBondContact O-N 3.32Å; R703-C706 PolarHBondContact O-N 3.21Å |
| 704 | N | 53.6 | Low | 63.8 | Low | 122 Ų | 122 | 58.8 Ų | 58.8 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 4.1 | 174.2 | -73.3 | -14.7 | 0 | 0 | 0 | 115.3 | Y634 | Y634-N704 PolarHBondContact OH-OD1 3.07Š|
| 705 | D | 52.8 | Low | 63.5 | Low | 140 Ų | 140 | 58.4 Ų | 58.4 | 75% | 0.749 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -17.3 | -169.8 | -50.1 | -27.7 | 0 | 0 | 0 | 113.8 | R703 | R703-D705 PolarHBondContact O-N 3.32Š|
| 706 | C | 47.8 | Very low | 63.1 | Low | 79 Ų | 79 | 61.9 Ų | 61.9 | 53% | 0.534 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -81.2 | 122.9 | 171.5 | -60.2 | 0 | 0 | 0 | 0 | 108.1 | N701 R703 V708 | N701-C706 PolarHBondContact ND2-O 3.43Å; N701-C706 VanDerWaalsContact ND2-O 3.14Å; R703-C706 PolarHBondContact O-N 3.21Å; C706-V708 PolarHBondContact O-N 3.47Å |
| 707 | G | 54.8 | Low | 62.9 | Low | 88 Ų | 88 | 66.3 Ų | 66.3 | 91% | 0.907 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -59.8 | 14.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 708 | V | 52.6 | Low | 63.1 | Low | 77 Ų | 77 | 61.9 Ų | 61.9 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | trans | -128.5 | 123.3 | 169.6 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | F626 N701 C706 V710 | F626-V708 HydrophobicContact CE1-CG1 4.49Å; N701-V708 PolarHBondContact ND2-O 3.45Å; N701-V708 VanDerWaalsContact ND2-O 3.17Å; C706-V708 PolarHBondContact O-N 3.47Å; V708-V710 WeakPolarHBondContact CG1-O 3.3Å | ||
| 709 | N | 50.1 | Low | 63.5 | Low | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -71.2 | -30.4 | -175.2 | -72.4 | -15.3 | 0 | 0 | 0 | 114.1 | I632 N701 | I632-N709 WeakPolarHBondContact O-CB 3.49Å; I632-N709 PolarHBondContact O-ND2 3.19Å; N701-N709 WeakPolarHBondContact CB-O 3.1Å |
| 710 | V | 55.6 | Low | 64.4 | Low | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -148.7 | 127.3 | -178.2 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | I632 L637 V708 | I632-V710 HydrophobicContact CB-CB 4Å; I632-V710 HydrophobicContact CB-CG2 4.08Å; I632-V710 HydrophobicContact CD1-CB 3.72Å; I632-V710 HydrophobicContact CD1-CG1 4.23Å; I632-V710 WeakPolarHBondContact CD1-O 3.34Å; I632-V710 HydrophobicContact CG1-CB 4.45Å; I632-V710 HydrophobicContact CG2-CB 3.62Å; I632-V710 HydrophobicContact CG2-CG1 4.23Å; I632-V710 HydrophobicContact CG2-CG2 3.42Å; I632-V710 VanDerWaalsContact CG2-CG2 3.42Å; L637-V710 HydrophobicContact CD1-CG1 4Å; L637-V710 HydrophobicContact CD2-CG1 4.07Å; L637-V710 HydrophobicContact CD2-CG2 4.13Å; V708-V710 WeakPolarHBondContact CG1-O 3.3Å |
| 711 | A | 60.9 | Low | 65.9 | Low | 23 Ų | 23 | 69 Ų | 69 | 19% | 0.19 | 41% | 0.406 | C | S | . | . | trans | -137.1 | 146.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | G699 F713 | G699-A711 WeakPolarHBondContact CA-O 3.47Å; A711-F713 HydrophobicContact CB-CD1 4.47Å; A711-F713 HydrophobicContact CB-CE1 4.2Å; A711-F713 HydrophobicContact CB-CZ 4.31Å; A711-F713 WeakPolarHBondContact O-CD2 3.41Å; A711-F713 PolarHBondContact O-N 3.22Å | ||
| 712 | N | 65.2 | Low | 67.7 | Low | 32 Ų | 32 | 70.9 Ų | 70.9 | 17% | 0.171 | 42% | 0.418 | C | S | . | . | trans | -70.3 | 100.3 | 162.7 | -175.1 | 0.2 | 0 | 0 | 0 | 107.1 | P618 D619 L621 L623 G714 | P618-N712 PolarHBondContact O-ND2 3.4Å; D619-N712 PolarHBondContact O-ND2 2.95Å; L621-N712 WeakPolarHBondContact O-CB 3.29Å; L621-N712 PolarHBondContact O-ND2 2.96Å; L621-N712 VanDerWaalsContact O-ND2 3.07Å; L623-N712 HydrophobicContact CD1-CB 4.19Å; L623-N712 HydrophobicContact CG-CB 4.45Å; N712-G714 PolarHBondContact O-N 3.06Å; N712-G714 WeakPolarHBondContact OD1-CA 3.45Å; N712-G714 PolarHBondContact OD1-N 3.43Å | ||
| 713 | F | 67.6 | Low | 69.7 | Low | 86 Ų | 86 | 66.8 Ų | 66.8 | 38% | 0.377 | 39% | 0.387 | S | S | . | . | trans | -72.1 | -2.6 | 175.8 | -62.6 | -71.6 | 0 | 0 | 0 | 112.2 | V698 A711 N717 | V698-F713 HydrophobicContact CG1-CB 4.38Å; V698-F713 HydrophobicContact CG1-CD2 4.47Å; V698-F713 WeakPolarHBondContact O-CD2 3.42Å; A711-F713 HydrophobicContact CB-CD1 4.47Å; A711-F713 HydrophobicContact CB-CE1 4.2Å; A711-F713 HydrophobicContact CB-CZ 4.31Å; A711-F713 WeakPolarHBondContact O-CD2 3.41Å; A711-F713 PolarHBondContact O-N 3.22Å; F713-N717 HydrophobicContact CB-CB 3.96Å; F713-N717 WeakPolarHBondContact CB-ND2 3.38Å; F713-N717 PolarHBondContact O-ND2 2.9Å | ||
| 714 | G | 77 | Confident | 71.7 | Confident | 5 Ų | 5 | 62 Ų | 62 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | trans | 83.4 | 167.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D619 N712 N716 N717 | D619-G714 WeakPolarHBondContact OD1-CA 3.28Å; N712-G714 PolarHBondContact O-N 3.06Å; N712-G714 WeakPolarHBondContact OD1-CA 3.45Å; N712-G714 PolarHBondContact OD1-N 3.43Å; G714-N716 PolarHBondContact O-N 3.18Å; G714-N717 PolarHBondContact O-N 2.72Å; G714-N717 VanDerWaalsContact O-N 3.1Å | ||
| 715 | V | 84.2 | Confident | 73.5 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -59.5 | -29.6 | -176.3 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | P618 D619 L691 L695 N717 L718 N763 L764 | P618-V715 HydrophobicContact CB-CG2 3.74Å; P618-V715 HydrophobicContact CG-CG2 3.43Å; P618-V715 VanDerWaalsContact CG-CG2 3.43Å; D619-V715 WeakPolarHBondContact OD1-CG2 3.43Å; D619-V715 PolarHBondContact OD1-N 3.31Å; L691-V715 HydrophobicContact CD1-CG2 4.2Å; L695-V715 HydrophobicContact CD2-CG2 4.31Å; V715-N717 PolarHBondContact O-N 3.12Å; V715-N717 VanDerWaalsContact O-N 3.16Å; V715-L718 HydrophobicContact CG1-CD1 4.01Å; V715-L718 VanDerWaalsContact O-CB 3.32Å; V715-L718 WeakPolarHBondContact O-CB 3.29Å; V715-L718 VanDerWaalsContact O-CG 3.3Å; V715-L718 WeakPolarHBondContact O-CG 3.44Å; V715-L718 PolarHBondContact O-N 3.17Å; V715-L718 VanDerWaalsContact O-N 3.09Å; V715-N763 VanDerWaalsContact CG1-O 3.24Å; V715-N763 WeakPolarHBondContact CG1-O 3.32Å; V715-L764 HydrophobicContact CG1-CD2 3.75Å; V715-L764 HydrophobicContact CG1-CG 4.47Å |
| 716 | N | 81.4 | Confident | 75.5 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -59.8 | -25.5 | 177.5 | -77.4 | -38.8 | 0 | 0 | 0 | 114.1 | G714 | G714-N716 PolarHBondContact O-N 3.18Š|
| 717 | N | 81.5 | Confident | 77.7 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -90 | -0.3 | -179.5 | -74 | -68.9 | 0 | 0 | 0 | 113.5 | V698 F713 G714 V715 | V698-N717 HydrophobicContact CG1-CB 3.44Å; V698-N717 VanDerWaalsContact CG1-CB 3.44Å; F713-N717 HydrophobicContact CB-CB 3.96Å; F713-N717 WeakPolarHBondContact CB-ND2 3.38Å; F713-N717 PolarHBondContact O-ND2 2.9Å; G714-N717 PolarHBondContact O-N 2.72Å; G714-N717 VanDerWaalsContact O-N 3.1Å; V715-N717 PolarHBondContact O-N 3.12Å; V715-N717 VanDerWaalsContact O-N 3.16Å |
| 718 | L | 86.9 | Confident | 79.5 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -68.6 | 149.6 | 171.8 | -59.8 | -176.9 | 0 | 0 | 0 | 111.5 | L691 A694 L695 V698 V715 R723 L726 | L691-L718 HydrophobicContact CD1-CD1 3.62Å; A694-L718 HydrophobicContact CB-CD1 4.15Å; A694-L718 HydrophobicContact CB-CD2 3.64Å; L695-L718 HydrophobicContact CD2-CD2 4.18Å; V698-L718 HydrophobicContact CB-CD2 4.22Å; V698-L718 HydrophobicContact CG2-CD2 3.62Å; V715-L718 HydrophobicContact CG1-CD1 4.01Å; V715-L718 VanDerWaalsContact O-CB 3.32Å; V715-L718 WeakPolarHBondContact O-CB 3.29Å; V715-L718 VanDerWaalsContact O-CG 3.3Å; V715-L718 WeakPolarHBondContact O-CG 3.44Å; V715-L718 PolarHBondContact O-N 3.17Å; V715-L718 VanDerWaalsContact O-N 3.09Å; L718-R723 HydrophobicContact CB-CG 3.73Å; L718-R723 HydrophobicContact CD1-CG 4.39Å; L718-R723 PolarHBondContact O-NE 3.48Å; L718-L726 HydrophobicContact CD1-CD1 4.43Å |
| 719 | S | 87.6 | Confident | 81.5 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 43% | 0.427 | 28% | 0.283 | S | S | . | . | trans | -55.7 | 146.1 | 174 | 86.3 | 0 | 0 | 0 | 0 | 111 | T721 T722 R723 | S719-T721 PolarHBondContact O-N 3.35Å; S719-T722 PolarHBondContact O-N 3.23Å; S719-T722 WeakPolarHBondContact OG-CB 3.08Å; S719-T722 PolarHBondContact OG-N 3.3Å; S719-T722 VanDerWaalsContact OG-N 3.08Å; S719-T722 PolarHBondContact OG-OG1 3.15Å; S719-R723 PolarHBondContact O-N 3.47Å | ||
| 720 | S | 85.9 | Confident | 83.7 | Confident | 77 Ų | 77 | 47.4 Ų | 47.4 | 54% | 0.538 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.8 | -42.3 | 177.5 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | T722 R723 T724 | S720-T722 PolarHBondContact O-N 3.2Å; S720-R723 PolarHBondContact O-N 3.3Å; S720-T724 PolarHBondContact O-N 3.2Å; S720-T724 PolarHBondContact O-OG1 3.41Å; S720-T724 VanDerWaalsContact O-OG1 3.09Å |
| 721 | T | 89.5 | Confident | 85.5 | Confident | 108 Ų | 108 | 49.8 Ų | 49.8 | 66% | 0.663 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 177.5 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | S719 R723 T724 D725 | S719-T721 PolarHBondContact O-N 3.35Å; T721-R723 PolarHBondContact O-N 2.66Å; T721-T724 PolarHBondContact O-N 3.09Å; T721-D725 PolarHBondContact O-N 3.38Å |
| 722 | T | 90.3 | Very high | 87.1 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 31% | 0.307 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 179.1 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | A694 S719 S720 D725 L726 | A694-T722 HydrophobicContact CB-CG2 3.94Å; S719-T722 PolarHBondContact O-N 3.23Å; S719-T722 WeakPolarHBondContact OG-CB 3.08Å; S719-T722 PolarHBondContact OG-N 3.3Å; S719-T722 VanDerWaalsContact OG-N 3.08Å; S719-T722 PolarHBondContact OG-OG1 3.15Å; S720-T722 PolarHBondContact O-N 3.2Å; T722-D725 PolarHBondContact O-N 3.37Å; T722-L726 HydrophobicContact CG2-CD1 4.06Å; T722-L726 HydrophobicContact CG2-CG 4.47Å; T722-L726 WeakPolarHBondContact O-CG 3.47Å; T722-L726 PolarHBondContact O-N 3.13Å |
| 723 | R | 90.9 | Very high | 88.6 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 178.2 | -74.2 | -174.2 | -66.5 | 162.3 | -3.4 | 112.1 | L718 S719 S720 T721 D725 L726 A727 L764 | L718-R723 HydrophobicContact CB-CG 3.73Å; L718-R723 HydrophobicContact CD1-CG 4.39Å; L718-R723 PolarHBondContact O-NE 3.48Å; S719-R723 PolarHBondContact O-N 3.47Å; S720-R723 PolarHBondContact O-N 3.3Å; T721-R723 PolarHBondContact O-N 2.66Å; R723-D725 PolarHBondContact O-N 3.07Å; R723-L726 PolarHBondContact O-N 2.97Å; R723-A727 VanDerWaalsContact O-CB 3.26Å; R723-A727 WeakPolarHBondContact O-CB 3.26Å; R723-A727 PolarHBondContact O-N 2.71Å; R723-L764 WeakPolarHBondContact CB-O 3.34Å; R723-L764 WeakPolarHBondContact CD-O 3.33Å |
| 724 | T | 89.8 | Confident | 90 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 178 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | S720 T721 A727 N728 | S720-T724 PolarHBondContact O-N 3.2Å; S720-T724 PolarHBondContact O-OG1 3.41Å; S720-T724 VanDerWaalsContact O-OG1 3.09Å; T721-T724 PolarHBondContact O-N 3.09Å; T724-A727 PolarHBondContact O-N 3.02Å; T724-N728 WeakPolarHBondContact O-CB 3.39Å; T724-N728 VanDerWaalsContact O-CG 3.26Å; T724-N728 PolarHBondContact O-N 3.49Å; T724-N728 PolarHBondContact O-ND2 2.87Å |
| 725 | D | 92.4 | Very high | 90.9 | Very high | 87 Ų | 87 | 51.3 Ų | 51.3 | 47% | 0.465 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 176.1 | -177.3 | 61.6 | 0 | 0 | 0 | 112.1 | R690 T721 T722 R723 A727 N728 R729 | R690-D725 IonicContact NH1-OD2 3.46Å; T721-D725 PolarHBondContact O-N 3.38Å; T722-D725 PolarHBondContact O-N 3.37Å; R723-D725 PolarHBondContact O-N 3.07Å; D725-A727 VanDerWaalsContact C-N 3.35Å; D725-A727 PolarHBondContact O-N 3.05Å; D725-N728 PolarHBondContact O-N 2.91Å; D725-R729 PolarHBondContact O-N 3.48Å |
| 726 | L | 94.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.4 | -69.1 | 174.2 | 0 | 0 | 0 | 111.8 | L687 R690 L691 L718 T722 R723 R729 L730 L764 | L687-L726 HydrophobicContact CD1-CB 4.34Å; L687-L726 HydrophobicContact CD1-CD2 3.66Å; L687-L726 HydrophobicContact CG-CD2 4.34Å; R690-L726 HydrophobicContact CB-CD2 3.89Å; L691-L726 HydrophobicContact CB-CD1 4.27Å; L691-L726 HydrophobicContact CD1-CD1 3.9Å; L718-L726 HydrophobicContact CD1-CD1 4.43Å; T722-L726 HydrophobicContact CG2-CD1 4.06Å; T722-L726 HydrophobicContact CG2-CG 4.47Å; T722-L726 WeakPolarHBondContact O-CG 3.47Å; T722-L726 PolarHBondContact O-N 3.13Å; R723-L726 PolarHBondContact O-N 2.97Å; L726-R729 PolarHBondContact O-N 3.22Å; L726-L730 WeakPolarHBondContact O-CB 3.47Å; L726-L730 PolarHBondContact O-N 2.86Å; L726-L764 HydrophobicContact CB-CD1 4.03Å; L726-L764 HydrophobicContact CB-CD2 3.93Å; L726-L764 HydrophobicContact CD1-CD2 3.99Å |
| 727 | A | 92.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R723 T724 D725 R729 L730 L731 F761 L764 | R723-A727 VanDerWaalsContact O-CB 3.26Å; R723-A727 WeakPolarHBondContact O-CB 3.26Å; R723-A727 PolarHBondContact O-N 2.71Å; T724-A727 PolarHBondContact O-N 3.02Å; D725-A727 VanDerWaalsContact C-N 3.35Å; D725-A727 PolarHBondContact O-N 3.05Å; A727-R729 PolarHBondContact O-N 3.32Å; A727-L730 PolarHBondContact O-N 2.84Å; A727-L731 WeakPolarHBondContact O-CG 3.34Å; A727-L731 PolarHBondContact O-N 3.15Å; A727-F761 HydrophobicContact CB-CD2 4.05Å; A727-F761 HydrophobicContact CB-CE2 3.82Å; A727-L764 HydrophobicContact CB-CB 4.25Å; A727-L764 HydrophobicContact CB-CD1 4.37Å |
| 728 | N | 92.7 | Very high | 92.9 | Very high | 99 Ų | 99 | 50.4 Ų | 50.4 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 177.2 | -72.8 | -25.7 | 0 | 0 | 0 | 111.9 | T724 D725 L730 L731 E732 | T724-N728 WeakPolarHBondContact O-CB 3.39Å; T724-N728 VanDerWaalsContact O-CG 3.26Å; T724-N728 PolarHBondContact O-N 3.49Å; T724-N728 PolarHBondContact O-ND2 2.87Å; D725-N728 PolarHBondContact O-N 2.91Å; N728-L730 VanDerWaalsContact C-N 3.33Å; N728-L730 PolarHBondContact O-N 2.94Å; N728-L731 PolarHBondContact O-N 2.97Å; N728-E732 PolarHBondContact O-N 3.22Å |
| 729 | R | 95.5 | Very high | 93.3 | Very high | 65 Ų | 65 | 56.4 Ų | 56.4 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 176.7 | -175.1 | 58.6 | 176.3 | -179.3 | 2.4 | 111.9 | D683 L687 D725 L726 A727 E732 I733 | D683-R729 IonicContact OD1-CZ 3.56Å; D683-R729 IonicContact OD1-NH2 3.87Å; D683-R729 PolarHBondContact OD1-NH2 2.82Å; D683-R729 IonicContact OD2-NH2 3.86Å; L687-R729 HydrophobicContact CD1-CB 3.92Å; L687-R729 HydrophobicContact CD1-CG 3.95Å; D725-R729 PolarHBondContact O-N 3.48Å; L726-R729 PolarHBondContact O-N 3.22Å; A727-R729 PolarHBondContact O-N 3.32Å; R729-E732 IonicContact CZ-OE1 3.65Å; R729-E732 IonicContact CZ-OE2 2.74Å; R729-E732 IonicContact NH1-OE1 3.92Å; R729-E732 PolarHBondContact NH1-OE1 3.16Å; R729-E732 IonicContact NH1-OE2 3.7Å; R729-E732 PolarHBondContact NH1-OE2 2.95Å; R729-E732 PolarHBondContact O-N 2.91Å; R729-I733 HydrophobicContact CG-CD1 4.15Å; R729-I733 WeakPolarHBondContact O-CG1 3.3Å; R729-I733 PolarHBondContact O-N 2.96Å; R729-I733 VanDerWaalsContact O-N 3.08Å |
| 730 | L | 95.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.1 | -178 | 64 | 0 | 0 | 0 | 111.8 | M684 L687 L726 A727 N728 E732 I733 R734 F757 L760 F761 L764 | M684-L730 HydrophobicContact CE-CD1 3.85Å; M684-L730 HydrophobicContact SD-CD1 4.1Å; L687-L730 HydrophobicContact CD2-CB 4.08Å; L687-L730 HydrophobicContact CD2-CD1 3.74Å; L687-L730 HydrophobicContact CD2-CG 4.45Å; L726-L730 WeakPolarHBondContact O-CB 3.47Å; L726-L730 PolarHBondContact O-N 2.86Å; A727-L730 PolarHBondContact O-N 2.84Å; N728-L730 VanDerWaalsContact C-N 3.33Å; N728-L730 PolarHBondContact O-N 2.94Å; L730-E732 VanDerWaalsContact C-N 3.34Å; L730-E732 PolarHBondContact O-N 3.4Å; L730-I733 PolarHBondContact O-N 3.34Å; L730-R734 WeakPolarHBondContact O-CB 3.4Å; L730-R734 PolarHBondContact O-N 3.1Å; L730-F757 HydrophobicContact CD1-CD1 3.66Å; L730-F757 HydrophobicContact CD1-CE1 4.3Å; L730-F757 HydrophobicContact CG-CD1 4.47Å; L730-L760 HydrophobicContact CD1-CD2 3.95Å; L730-L760 HydrophobicContact CD2-CB 3.96Å; L730-L760 HydrophobicContact CD2-CD2 4Å; L730-L760 HydrophobicContact CD2-CG 3.83Å; L730-F761 HydrophobicContact CD2-CB 3.81Å; L730-F761 HydrophobicContact CD2-CD2 4.5Å; L730-L764 HydrophobicContact CD2-CD1 4.03Å |
| 731 | L | 93.9 | Very high | 94.1 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 176.6 | -70.2 | 176.6 | 0 | 0 | 0 | 112.4 | A727 N728 R734 A735 F761 L777 | A727-L731 WeakPolarHBondContact O-CG 3.34Å; A727-L731 PolarHBondContact O-N 3.15Å; N728-L731 PolarHBondContact O-N 2.97Å; L731-R734 PolarHBondContact O-N 3.38Å; L731-A735 PolarHBondContact O-N 2.86Å; L731-F761 HydrophobicContact CD1-CD2 4.43Å; L731-F761 HydrophobicContact CD1-CE2 3.58Å; L731-F761 HydrophobicContact CD1-CZ 4Å; L731-F761 HydrophobicContact CD2-CD2 3.9Å; L731-F761 HydrophobicContact CD2-CE2 3.77Å; L731-F761 HydrophobicContact CD2-CG 4.49Å; L731-F761 HydrophobicContact CD2-CZ 4.23Å; L731-F761 HydrophobicContact CG-CD2 3.95Å; L731-F761 HydrophobicContact CG-CE2 3.59Å; L731-F761 HydrophobicContact CG-CZ 4.34Å; L731-L777 HydrophobicContact CD2-CD2 3.78Å |
| 732 | E | 95.5 | Very high | 94.4 | Very high | 94 Ų | 94 | 49 Ų | 49 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -41.8 | 175.4 | -171.1 | -165.9 | 154.8 | 0 | 0 | 112.1 | N728 R729 L730 R736 | N728-E732 PolarHBondContact O-N 3.22Å; R729-E732 IonicContact CZ-OE1 3.65Å; R729-E732 IonicContact CZ-OE2 2.74Å; R729-E732 IonicContact NH1-OE1 3.92Å; R729-E732 PolarHBondContact NH1-OE1 3.16Å; R729-E732 IonicContact NH1-OE2 3.7Å; R729-E732 PolarHBondContact NH1-OE2 2.95Å; R729-E732 PolarHBondContact O-N 2.91Å; L730-E732 VanDerWaalsContact C-N 3.34Å; L730-E732 PolarHBondContact O-N 3.4Å; E732-R736 PolarHBondContact O-N 3.47Å |
| 733 | I | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 175.3 | -62.6 | 166 | 0 | 0 | 0 | 109.9 | L680 D683 L687 R729 L730 A735 R736 F737 F757 | L680-I733 HydrophobicContact CD2-CG2 3.94Å; D683-I733 HydrophobicContact CB-CD1 3.89Å; D683-I733 HydrophobicContact CB-CG1 4.02Å; L687-I733 HydrophobicContact CB-CD1 4.39Å; R729-I733 HydrophobicContact CG-CD1 4.15Å; R729-I733 WeakPolarHBondContact O-CG1 3.3Å; R729-I733 PolarHBondContact O-N 2.96Å; R729-I733 VanDerWaalsContact O-N 3.08Å; L730-I733 PolarHBondContact O-N 3.34Å; I733-A735 VanDerWaalsContact C-N 3.33Å; I733-A735 PolarHBondContact O-N 2.68Å; I733-R736 PolarHBondContact O-N 2.96Å; I733-F737 WeakPolarHBondContact O-CB 3.41Å; I733-F737 PolarHBondContact O-N 2.83Å; I733-F757 HydrophobicContact CG2-CE1 3.91Å |
| 734 | R | 95.6 | Very high | 94.8 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 14% | 0.143 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.7 | -46.1 | 178 | -175.6 | -175.1 | 179.2 | -99.4 | 13.4 | 111.8 | L730 L731 F737 Q738 L754 F757 D758 L777 | L730-R734 WeakPolarHBondContact O-CB 3.4Å; L730-R734 PolarHBondContact O-N 3.1Å; L731-R734 PolarHBondContact O-N 3.38Å; R734-F737 WeakPolarHBondContact O-CB 3.47Å; R734-F737 PolarHBondContact O-N 3.02Å; R734-Q738 PolarHBondContact O-N 3.24Å; R734-L754 HydrophobicContact CG-CD2 3.72Å; R734-F757 HydrophobicContact CB-CB 4.29Å; R734-F757 HydrophobicContact CB-CD1 3.9Å; R734-F757 HydrophobicContact CB-CG 4.18Å; R734-F757 HydrophobicContact CG-CB 3.94Å; R734-F757 HydrophobicContact CG-CD1 4.33Å; R734-F757 HydrophobicContact CG-CG 4.09Å; R734-D758 IonicContact CZ-OD1 3.68Å; R734-D758 IonicContact NE-OD1 3.01Å; R734-D758 PolarHBondContact NE-OD1 3.36Å; R734-D758 IonicContact NH2-OD1 3.36Å; R734-D758 PolarHBondContact NH2-OD1 2.63Å; R734-D758 VanDerWaalsContact NH2-OD1 3.09Å; R734-D758 IonicContact NH2-OD2 3.24Å; R734-L777 PolarHBondContact NH2-O 3.16Å |
| 735 | A | 95.4 | Very high | 95.1 | Very high | 46 Ų | 46 | 44 Ų | 44 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L731 I733 Q738 H739 | L731-A735 PolarHBondContact O-N 2.86Å; I733-A735 VanDerWaalsContact C-N 3.33Å; I733-A735 PolarHBondContact O-N 2.68Å; A735-Q738 PolarHBondContact O-N 3.05Å; A735-H739 PolarHBondContact O-CD2 2.89Å; A735-H739 PolarHBondContact O-N 3.34Å |
| 736 | R | 96.7 | Very high | 95.2 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.8 | -37.4 | 175.7 | -73.9 | -174 | -68.7 | 143.8 | -4.5 | 112.2 | L680 D683 E732 I733 H739 A740 | L680-R736 HydrophobicContact CD2-CB 3.62Å; D683-R736 IonicContact OD2-CZ 3.35Å; D683-R736 IonicContact OD2-NH1 2.85Å; D683-R736 PolarHBondContact OD2-NH1 2.83Å; D683-R736 IonicContact OD2-NH2 3.41Å; D683-R736 PolarHBondContact OD2-NH2 2.87Å; E732-R736 PolarHBondContact O-N 3.47Å; I733-R736 PolarHBondContact O-N 2.96Å; R736-H739 PolarHBondContact O-N 2.94Å; R736-A740 PolarHBondContact O-N 2.83Å; R736-A740 VanDerWaalsContact O-N 3.09Å |
| 737 | F | 96.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.4 | 173.2 | -101.1 | 0 | 0 | 0 | 111.6 | E534 I535 L680 I733 R734 H739 A740 W741 A753 L754 F757 | E534-F737 HydrophobicContact CB-CZ 4.48Å; E534-F737 VanDerWaalsContact O-CE2 3.31Å; E534-F737 WeakPolarHBondContact O-CE2 3.24Å; E534-F737 WeakPolarHBondContact O-CZ 3.49Å; I535-F737 HydrophobicContact CG1-CD2 4.25Å; I535-F737 HydrophobicContact CG1-CE2 4.46Å; L680-F737 HydrophobicContact CD1-CB 4.4Å; L680-F737 HydrophobicContact CD2-CB 4.29Å; I733-F737 WeakPolarHBondContact O-CB 3.41Å; I733-F737 PolarHBondContact O-N 2.83Å; R734-F737 WeakPolarHBondContact O-CB 3.47Å; R734-F737 PolarHBondContact O-N 3.02Å; F737-H739 VanDerWaalsContact C-N 3.31Å; F737-H739 PolarHBondContact O-N 3.26Å; F737-A740 PolarHBondContact O-N 3.3Å; F737-W741 HydrophobicContact CE1-CB 4.49Å; F737-W741 HydrophobicContact CE1-CD2 4.47Å; F737-W741 HydrophobicContact CE1-CE3 4.15Å; F737-W741 AromaticContact CE2-CE3 3.79Å; F737-W741 HydrophobicContact CE2-CE3 3.79Å; F737-W741 HydrophobicContact CE2-CZ3 4.35Å; F737-W741 HydrophobicContact CZ-CB 4.5Å; F737-W741 HydrophobicContact CZ-CD2 4.04Å; F737-W741 AromaticContact CZ-CE3 3.31Å; F737-W741 HydrophobicContact CZ-CE3 3.31Å; F737-W741 AromaticContact CZ-CZ3 3.82Å; F737-W741 HydrophobicContact CZ-CZ3 3.82Å; F737-W741 VanDerWaalsContact O-CB 3.3Å; F737-W741 WeakPolarHBondContact O-CB 3.35Å; F737-W741 PolarHBondContact O-N 2.79Å; F737-A753 HydrophobicContact CE1-CB 4.13Å; F737-A753 HydrophobicContact CZ-CB 4.22Å; F737-L754 HydrophobicContact CD1-CD2 3.94Å; F737-L754 HydrophobicContact CE1-CD2 4.26Å; F737-F757 HydrophobicContact CB-CE2 4.34Å; F737-F757 HydrophobicContact CB-CZ 3.97Å; F737-F757 HydrophobicContact CD1-CD2 4.18Å; F737-F757 AromaticContact CD1-CE2 3.46Å; F737-F757 HydrophobicContact CD1-CE2 3.46Å; F737-F757 VanDerWaalsContact CD1-CE2 3.46Å; F737-F757 AromaticContact CD1-CZ 3.98Å; F737-F757 HydrophobicContact CD1-CZ 3.98Å; F737-F757 HydrophobicContact CD2-CE2 4.25Å; F737-F757 HydrophobicContact CD2-CZ 4.19Å; F737-F757 HydrophobicContact CE1-CD2 4.4Å; F737-F757 AromaticContact CE1-CE2 3.71Å; F737-F757 HydrophobicContact CE1-CE2 3.71Å; F737-F757 HydrophobicContact CE2-CE2 4.47Å; F737-F757 AromaticContact CG-CE2 3.74Å; F737-F757 HydrophobicContact CG-CE2 3.74Å; F737-F757 AromaticContact CG-CZ 3.76Å; F737-F757 HydrophobicContact CG-CZ 3.76Å; F737-F757 HydrophobicContact CZ-CE2 4.21Å |
| 738 | Q | 95.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.7 | -44.7 | 175.8 | 175.6 | 173.3 | 3.3 | 0 | 0 | 112.3 | R734 A735 W741 L742 L750 | R734-Q738 PolarHBondContact O-N 3.24Å; A735-Q738 PolarHBondContact O-N 3.05Å; Q738-W741 PolarHBondContact O-N 3.18Å; Q738-L742 HydrophobicContact CG-CD1 4.05Å; Q738-L742 WeakPolarHBondContact O-CB 3.38Å; Q738-L742 VanDerWaalsContact O-CG 3.31Å; Q738-L742 WeakPolarHBondContact O-CG 3.2Å; Q738-L742 PolarHBondContact O-N 3.09Å; Q738-L750 HydrophobicContact CB-CD1 4.33Å; Q738-L750 HydrophobicContact CG-CD1 4.1Å; Q738-L750 HydrophobicContact CG-CD2 3.75Å |
| 739 | H | 95.6 | Very high | 95.2 | Very high | 132 Ų | 132 | 46.8 Ų | 46.8 | 61% | 0.611 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.1 | -44.7 | 177.5 | -70.3 | -64.2 | 0 | 0 | 0 | 112.6 | A735 R736 F737 W741 S743 | A735-H739 PolarHBondContact O-CD2 2.89Å; A735-H739 PolarHBondContact O-N 3.34Å; R736-H739 PolarHBondContact O-N 2.94Å; F737-H739 VanDerWaalsContact C-N 3.31Å; F737-H739 PolarHBondContact O-N 3.26Å; H739-W741 VanDerWaalsContact C-N 3.35Å; H739-S743 PolarHBondContact O-N 3.06Å; H739-S743 PolarHBondContact O-OG 3.06Å |
| 740 | A | 95.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L673 E677 L680 R736 F737 S743 | L673-A740 HydrophobicContact CD1-CB 4.32Å; E677-A740 HydrophobicContact CG-CB 4.4Å; L680-A740 HydrophobicContact CD1-CB 3.68Å; R736-A740 PolarHBondContact O-N 2.83Å; R736-A740 VanDerWaalsContact O-N 3.09Å; F737-A740 PolarHBondContact O-N 3.3Å; A740-S743 WeakPolarHBondContact O-CB 3.38Å; A740-S743 PolarHBondContact O-N 2.83Å |
| 741 | W | 95.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 179 | -172.9 | -90.1 | 0 | 0 | 0 | 112 | C318 R319 E534 F737 Q738 H739 S743 R744 N745 T749 L750 A753 | C318-W741 HydrophobicContact CB-CH2 4.28Å; C318-W741 HydrophobicContact CB-CZ2 4.27Å; C318-W741 WeakPolarHBondContact O-CZ2 3.35Å; R319-W741 HydrophobicContact CB-CH2 3.87Å; R319-W741 HydrophobicContact CB-CZ3 4.48Å; R319-W741 HydrophobicContact CG-CH2 4.32Å; E534-W741 HydrophobicContact CB-CH2 4.1Å; E534-W741 HydrophobicContact CB-CZ3 4Å; E534-W741 WeakPolarHBondContact O-CZ3 3.44Å; F737-W741 HydrophobicContact CE1-CB 4.49Å; F737-W741 HydrophobicContact CE1-CD2 4.47Å; F737-W741 HydrophobicContact CE1-CE3 4.15Å; F737-W741 AromaticContact CE2-CE3 3.79Å; F737-W741 HydrophobicContact CE2-CE3 3.79Å; F737-W741 HydrophobicContact CE2-CZ3 4.35Å; F737-W741 HydrophobicContact CZ-CB 4.5Å; F737-W741 HydrophobicContact CZ-CD2 4.04Å; F737-W741 AromaticContact CZ-CE3 3.31Å; F737-W741 HydrophobicContact CZ-CE3 3.31Å; F737-W741 AromaticContact CZ-CZ3 3.82Å; F737-W741 HydrophobicContact CZ-CZ3 3.82Å; F737-W741 VanDerWaalsContact O-CB 3.3Å; F737-W741 WeakPolarHBondContact O-CB 3.35Å; F737-W741 PolarHBondContact O-N 2.79Å; Q738-W741 PolarHBondContact O-N 3.18Å; H739-W741 VanDerWaalsContact C-N 3.35Å; W741-S743 PolarHBondContact O-N 2.73Å; W741-S743 VanDerWaalsContact O-N 3.13Å; W741-R744 PolarHBondContact O-N 2.96Å; W741-R744 VanDerWaalsContact O-N 3.08Å; W741-N745 HydrophobicContact CD2-CB 4.02Å; W741-N745 VanDerWaalsContact CE3-ND2 3.25Å; W741-N745 HydrophobicContact CG-CB 4.21Å; W741-N745 HydrophobicContact CZ2-CB 4.06Å; W741-N745 WeakPolarHBondContact O-CB 3.23Å; W741-N745 PolarHBondContact O-N 2.82Å; W741-N745 PolarHBondContact O-ND2 3.38Å; W741-T749 WeakPolarHBondContact CZ2-OG1 3.23Å; W741-T749 PolarHBondContact NE1-OG1 3.26Å; W741-L750 HydrophobicContact CB-CD1 4.1Å; W741-L750 HydrophobicContact CG-CD1 3.94Å; W741-A753 HydrophobicContact CD2-CB 4.09Å; W741-A753 HydrophobicContact CE3-CB 4.23Å; W741-A753 HydrophobicContact CH2-CB 3.7Å; W741-A753 HydrophobicContact CZ2-CB 3.56Å; W741-A753 HydrophobicContact CZ3-CB 4.05Å |
| 742 | L | 96 | Very high | 94.8 | Very high | 72 Ų | 72 | 49.4 Ų | 49.4 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -13.7 | 179.5 | -68.9 | 174.8 | 0 | 0 | 0 | 113.5 | Q738 P747 L750 | Q738-L742 HydrophobicContact CG-CD1 4.05Å; Q738-L742 WeakPolarHBondContact O-CB 3.38Å; Q738-L742 VanDerWaalsContact O-CG 3.31Å; Q738-L742 WeakPolarHBondContact O-CG 3.2Å; Q738-L742 PolarHBondContact O-N 3.09Å; L742-P747 HydrophobicContact CD2-CB 3.82Å; L742-P747 HydrophobicContact CD2-CG 4.14Å; L742-L750 HydrophobicContact CD1-CD2 4.15Å; L742-L750 HydrophobicContact CD2-CD2 4.01Å; L742-L750 HydrophobicContact CG-CD2 4.14Å |
| 743 | S | 95 | Very high | 94.6 | Very high | 44 Ų | 44 | 44.9 Ų | 44.9 | 31% | 0.308 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -16.6 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | Y669 H739 A740 W741 | Y669-S743 PolarHBondContact OH-OG 3.11Å; H739-S743 PolarHBondContact O-N 3.06Å; H739-S743 PolarHBondContact O-OG 3.06Å; A740-S743 WeakPolarHBondContact O-CB 3.38Å; A740-S743 PolarHBondContact O-N 2.83Å; W741-S743 PolarHBondContact O-N 2.73Å; W741-S743 VanDerWaalsContact O-N 3.13Å |
| 744 | R | 94.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 2% | 0.023 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -39.3 | -174.4 | -67.4 | -68.9 | -168 | -164.1 | -5.9 | 113.8 | Y321 M322 T325 E670 L673 E677 W741 | Y321-R744 WeakPolarHBondContact CA-O 3.35Å; Y321-R744 HydrophobicContact CD1-CB 4.33Å; M322-R744 PolarHBondContact N-O 3.17Å; T325-R744 WeakPolarHBondContact CB-O 3.39Å; T325-R744 HydrophobicContact CG2-CB 4.31Å; T325-R744 WeakPolarHBondContact OG1-CA 3.29Å; T325-R744 PolarHBondContact OG1-O 3.25Å; T325-R744 VanDerWaalsContact OG1-O 3.11Å; E670-R744 IonicContact OE1-NH1 3.66Å; E670-R744 IonicContact OE2-CZ 3.96Å; E670-R744 VanDerWaalsContact OE2-CZ 3.25Å; E670-R744 IonicContact OE2-NH1 2.75Å; E670-R744 PolarHBondContact OE2-NH1 2.92Å; E670-R744 IonicContact OE2-NH2 3.61Å; E670-R744 PolarHBondContact OE2-NH2 2.82Å; L673-R744 HydrophobicContact CD2-CG 4.16Å; E677-R744 WeakPolarHBondContact OE1-CG 3.48Å; E677-R744 IonicContact OE1-NE 2.66Å; E677-R744 PolarHBondContact OE1-NE 2.79Å; W741-R744 PolarHBondContact O-N 2.96Å; W741-R744 VanDerWaalsContact O-N 3.08Å |
| 745 | N | 95.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 161.6 | -165.7 | -58.8 | -63.2 | 0 | 0 | 0 | 112 | V320 Y321 W741 | V320-N745 CarbonylContact O-C 2.96Å; V320-N745 VanDerWaalsContact O-CA 3.25Å; V320-N745 WeakPolarHBondContact O-CA 3.43Å; V320-N745 WeakPolarHBondContact O-CB 3.44Å; Y321-N745 WeakPolarHBondContact CD1-OD1 3.24Å; Y321-N745 WeakPolarHBondContact CE1-OD1 2.92Å; W741-N745 HydrophobicContact CD2-CB 4.02Å; W741-N745 VanDerWaalsContact CE3-ND2 3.25Å; W741-N745 HydrophobicContact CG-CB 4.21Å; W741-N745 HydrophobicContact CZ2-CB 4.06Å; W741-N745 WeakPolarHBondContact O-CB 3.23Å; W741-N745 PolarHBondContact O-N 2.82Å; W741-N745 PolarHBondContact O-ND2 3.38Å |
| 746 | L | 94.5 | Very high | 94 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | trans | -59.2 | 129.8 | 173.4 | -74.1 | 169.6 | 0 | 0 | 0 | 110.5 | V320 M322 P356 F357 V748 T749 | V320-L746 HydrophobicContact CB-CD1 3.98Å; V320-L746 HydrophobicContact CG1-CD1 3.49Å; V320-L746 VanDerWaalsContact CG1-CD1 3.49Å; V320-L746 HydrophobicContact CG1-CG 4.35Å; V320-L746 PolarHBondContact O-N 3.25Å; M322-L746 HydrophobicContact SD-CB 4.44Å; M322-L746 HydrophobicContact SD-CD2 3.35Å; M322-L746 WeakPolarHBondContact SD-CD2 3.45Å; M322-L746 HydrophobicContact SD-CG 4Å; P356-L746 HydrophobicContact CB-CD1 3.82Å; F357-L746 HydrophobicContact CE1-CD1 4.3Å; L746-V748 PolarHBondContact O-N 2.71Å; L746-V748 VanDerWaalsContact O-N 3.11Å; L746-T749 HydrophobicContact CB-CG2 4.39Å; L746-T749 PolarHBondContact O-N 3.42Å; L746-T749 VanDerWaalsContact O-N 3.14Å; L746-T749 PolarHBondContact O-OG1 3.24Å | ||
| 747 | P | 94.4 | Very high | 93.8 | Very high | 77 Ų | 77 | 44 Ų | 44 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -58.5 | -28.6 | -179.9 | -28.1 | 35.4 | 0 | 0 | 0 | 114.3 | L742 T749 L750 | L742-P747 HydrophobicContact CD2-CB 3.82Å; L742-P747 HydrophobicContact CD2-CG 4.14Å; P747-T749 PolarHBondContact O-N 2.6Å; P747-L750 WeakPolarHBondContact O-CB 3.29Å; P747-L750 PolarHBondContact O-N 3.04Å |
| 748 | V | 93 | Very high | 93.6 | Very high | 129 Ų | 129 | 45.3 Ų | 45.3 | 78% | 0.782 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -63.9 | -28.8 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 112 | L746 | L746-V748 PolarHBondContact O-N 2.71Å; L746-V748 VanDerWaalsContact O-N 3.11Å |
| 749 | T | 92.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 13% | 0.129 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -87.5 | -4.7 | -177.4 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | C318 V320 W741 L746 P747 S751 D752 A753 | C318-T749 WeakPolarHBondContact O-CB 3.48Å; C318-T749 WeakPolarHBondContact O-CG2 3.34Å; C318-T749 PolarHBondContact O-OG1 3.18Å; V320-T749 HydrophobicContact CB-CG2 4.37Å; V320-T749 HydrophobicContact CG2-CG2 4.21Å; W741-T749 WeakPolarHBondContact CZ2-OG1 3.23Å; W741-T749 PolarHBondContact NE1-OG1 3.26Å; L746-T749 HydrophobicContact CB-CG2 4.39Å; L746-T749 PolarHBondContact O-N 3.42Å; L746-T749 VanDerWaalsContact O-N 3.14Å; L746-T749 PolarHBondContact O-OG1 3.24Å; P747-T749 PolarHBondContact O-N 2.6Å; T749-S751 PolarHBondContact O-N 3.49Å; T749-D752 PolarHBondContact O-N 3.14Å; T749-A753 PolarHBondContact O-N 3.29Å; T749-A753 VanDerWaalsContact O-N 3.11Å |
| 750 | L | 94.3 | Very high | 93 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 10% | 0.099 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | -177.7 | 174.5 | 65.5 | 0 | 0 | 0 | 112.4 | Q738 W741 L742 P747 D752 A753 L754 | Q738-L750 HydrophobicContact CB-CD1 4.33Å; Q738-L750 HydrophobicContact CG-CD1 4.1Å; Q738-L750 HydrophobicContact CG-CD2 3.75Å; W741-L750 HydrophobicContact CB-CD1 4.1Å; W741-L750 HydrophobicContact CG-CD1 3.94Å; L742-L750 HydrophobicContact CD1-CD2 4.15Å; L742-L750 HydrophobicContact CD2-CD2 4.01Å; L742-L750 HydrophobicContact CG-CD2 4.14Å; P747-L750 WeakPolarHBondContact O-CB 3.29Å; P747-L750 PolarHBondContact O-N 3.04Å; L750-D752 VanDerWaalsContact C-N 3.3Å; L750-D752 PolarHBondContact O-N 3.31Å; L750-A753 PolarHBondContact O-N 2.87Å; L750-L754 HydrophobicContact CD1-CD1 3.99Å; L750-L754 HydrophobicContact CD1-CD2 4.41Å; L750-L754 HydrophobicContact CD1-CG 3.96Å; L750-L754 HydrophobicContact CD2-CD1 4.46Å; L750-L754 HydrophobicContact CG-CD1 3.9Å; L750-L754 HydrophobicContact CG-CG 4.29Å; L750-L754 WeakPolarHBondContact O-CG 3.39Å; L750-L754 PolarHBondContact O-N 2.86Å |
| 751 | S | 92.3 | Very high | 92.9 | Very high | 82 Ų | 82 | 39.3 Ų | 39.3 | 57% | 0.573 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -59.1 | -43.7 | -178.2 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | T749 L754 | T749-S751 PolarHBondContact O-N 3.49Å; S751-L754 PolarHBondContact O-N 3.06Å |
| 752 | D | 90.7 | Very high | 92.5 | Very high | 72 Ų | 72 | 43 Ų | 43 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.2 | -38.5 | 177.2 | -68.3 | -47 | 0 | 0 | 0 | 112.2 | C318 T749 L750 L754 K755 | C318-D752 HydrophobicContact CB-CB 4.32Å; T749-D752 PolarHBondContact O-N 3.14Å; L750-D752 VanDerWaalsContact C-N 3.3Å; L750-D752 PolarHBondContact O-N 3.31Å; D752-L754 VanDerWaalsContact C-N 3.29Å; D752-L754 PolarHBondContact O-N 3.3Å; D752-K755 WeakPolarHBondContact O-CB 3.4Å; D752-K755 PolarHBondContact O-N 3.4Å; D752-K755 WeakPolarHBondContact OD1-CE 3.21Å; D752-K755 IonicContact OD1-NZ 2.75Å; D752-K755 PolarHBondContact OD1-NZ 3.11Å |
| 753 | A | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.5 | -32 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C318 E534 F737 W741 T749 L750 K755 | C318-A753 HydrophobicContact CB-CB 4.29Å; E534-A753 HydrophobicContact CB-CB 4.03Å; E534-A753 HydrophobicContact CG-CB 4.31Å; F737-A753 HydrophobicContact CE1-CB 4.13Å; F737-A753 HydrophobicContact CZ-CB 4.22Å; W741-A753 HydrophobicContact CD2-CB 4.09Å; W741-A753 HydrophobicContact CE3-CB 4.23Å; W741-A753 HydrophobicContact CH2-CB 3.7Å; W741-A753 HydrophobicContact CZ2-CB 3.56Å; W741-A753 HydrophobicContact CZ3-CB 4.05Å; T749-A753 PolarHBondContact O-N 3.29Å; T749-A753 VanDerWaalsContact O-N 3.11Å; L750-A753 PolarHBondContact O-N 2.87Å; A753-K755 VanDerWaalsContact C-N 3.33Å; A753-K755 PolarHBondContact O-N 3.35Å |
| 754 | L | 93.6 | Very high | 91.8 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.2 | -19.9 | 178.9 | -71.4 | 173.7 | 0 | 0 | 0 | 113.6 | R734 F737 L750 S751 D752 M756 F757 D758 | R734-L754 HydrophobicContact CG-CD2 3.72Å; F737-L754 HydrophobicContact CD1-CD2 3.94Å; F737-L754 HydrophobicContact CE1-CD2 4.26Å; L750-L754 HydrophobicContact CD1-CD1 3.99Å; L750-L754 HydrophobicContact CD1-CD2 4.41Å; L750-L754 HydrophobicContact CD1-CG 3.96Å; L750-L754 HydrophobicContact CD2-CD1 4.46Å; L750-L754 HydrophobicContact CG-CD1 3.9Å; L750-L754 HydrophobicContact CG-CG 4.29Å; L750-L754 WeakPolarHBondContact O-CG 3.39Å; L750-L754 PolarHBondContact O-N 2.86Å; S751-L754 PolarHBondContact O-N 3.06Å; D752-L754 VanDerWaalsContact C-N 3.29Å; D752-L754 PolarHBondContact O-N 3.3Å; L754-M756 PolarHBondContact O-N 3.27Å; L754-F757 HydrophobicContact CD2-CD2 4.39Å; L754-F757 WeakPolarHBondContact O-CA 3.22Å; L754-F757 WeakPolarHBondContact O-CB 3.42Å; L754-F757 PolarHBondContact O-N 3.4Å; L754-D758 VanDerWaalsContact O-CG 3.29Å; L754-D758 PolarHBondContact O-N 3Å |
| 755 | K | 90.8 | Very high | 91.4 | Very high | 108 Ų | 108 | 40.3 Ų | 40.3 | 47% | 0.47 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -53.8 | -34.3 | -178.5 | -73.8 | 175.9 | 175 | 164.8 | 0 | 113.8 | D752 A753 D758 N759 | D752-K755 WeakPolarHBondContact O-CB 3.4Å; D752-K755 PolarHBondContact O-N 3.4Å; D752-K755 WeakPolarHBondContact OD1-CE 3.21Å; D752-K755 IonicContact OD1-NZ 2.75Å; D752-K755 PolarHBondContact OD1-NZ 3.11Å; A753-K755 VanDerWaalsContact C-N 3.33Å; A753-K755 PolarHBondContact O-N 3.35Å; K755-D758 PolarHBondContact O-N 2.74Å; K755-N759 VanDerWaalsContact O-CB 3.23Å; K755-N759 WeakPolarHBondContact O-CB 3.14Å; K755-N759 PolarHBondContact O-N 3.23Å; K755-N759 PolarHBondContact O-ND2 2.83Å; K755-N759 VanDerWaalsContact O-ND2 3.12Å |
| 756 | M | 90.1 | Very high | 90.7 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 175.1 | 170.8 | 176.1 | 37.7 | 0 | 0 | 111.7 | C533 E534 I535 L615 L616 L754 D758 L760 | C533-M756 HydrophobicContact CB-SD 4.45Å; C533-M756 PolarHBondContact SG-SD 3.03Å; E534-M756 HydrophobicContact CB-CE 4.27Å; I535-M756 HydrophobicContact CB-CE 4.21Å; L615-M756 HydrophobicContact CB-SD 4.48Å; L616-M756 HydrophobicContact CD2-SD 4.38Å; L754-M756 PolarHBondContact O-N 3.27Å; M756-D758 VanDerWaalsContact C-N 3.35Å; M756-L760 WeakPolarHBondContact O-CB 3.36Å; M756-L760 PolarHBondContact O-N 2.83Å; M756-L760 VanDerWaalsContact O-N 3.11Å |
| 757 | F | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 177 | -66.5 | -91.9 | 0 | 0 | 0 | 110.7 | I535 M684 L730 I733 R734 F737 L754 L760 F761 | I535-F757 HydrophobicContact CD1-CZ 4.05Å; I535-F757 HydrophobicContact CG1-CZ 4.34Å; M684-F757 HydrophobicContact CE-CD1 4.13Å; M684-F757 HydrophobicContact CE-CE1 3.85Å; M684-F757 HydrophobicContact CE-CZ 4.45Å; M684-F757 HydrophobicContact SD-CE1 4.39Å; L730-F757 HydrophobicContact CD1-CD1 3.66Å; L730-F757 HydrophobicContact CD1-CE1 4.3Å; L730-F757 HydrophobicContact CG-CD1 4.47Å; I733-F757 HydrophobicContact CG2-CE1 3.91Å; R734-F757 HydrophobicContact CB-CB 4.29Å; R734-F757 HydrophobicContact CB-CD1 3.9Å; R734-F757 HydrophobicContact CB-CG 4.18Å; R734-F757 HydrophobicContact CG-CB 3.94Å; R734-F757 HydrophobicContact CG-CD1 4.33Å; R734-F757 HydrophobicContact CG-CG 4.09Å; F737-F757 HydrophobicContact CB-CE2 4.34Å; F737-F757 HydrophobicContact CB-CZ 3.97Å; F737-F757 HydrophobicContact CD1-CD2 4.18Å; F737-F757 AromaticContact CD1-CE2 3.46Å; F737-F757 HydrophobicContact CD1-CE2 3.46Å; F737-F757 VanDerWaalsContact CD1-CE2 3.46Å; F737-F757 AromaticContact CD1-CZ 3.98Å; F737-F757 HydrophobicContact CD1-CZ 3.98Å; F737-F757 HydrophobicContact CD2-CE2 4.25Å; F737-F757 HydrophobicContact CD2-CZ 4.19Å; F737-F757 HydrophobicContact CE1-CD2 4.4Å; F737-F757 AromaticContact CE1-CE2 3.71Å; F737-F757 HydrophobicContact CE1-CE2 3.71Å; F737-F757 HydrophobicContact CE2-CE2 4.47Å; F737-F757 AromaticContact CG-CE2 3.74Å; F737-F757 HydrophobicContact CG-CE2 3.74Å; F737-F757 AromaticContact CG-CZ 3.76Å; F737-F757 HydrophobicContact CG-CZ 3.76Å; F737-F757 HydrophobicContact CZ-CE2 4.21Å; L754-F757 HydrophobicContact CD2-CD2 4.39Å; L754-F757 WeakPolarHBondContact O-CA 3.22Å; L754-F757 WeakPolarHBondContact O-CB 3.42Å; L754-F757 PolarHBondContact O-N 3.4Å; F757-L760 PolarHBondContact O-N 3.21Å; F757-F761 VanDerWaalsContact O-CB 3.27Å; F757-F761 WeakPolarHBondContact O-CB 3.14Å; F757-F761 PolarHBondContact O-N 3.45Å |
| 758 | D | 91.3 | Very high | 89.1 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | -177.5 | -60.1 | -17.7 | 0 | 0 | 0 | 111.4 | R734 L754 K755 M756 F761 R762 L777 | R734-D758 IonicContact CZ-OD1 3.68Å; R734-D758 IonicContact NE-OD1 3.01Å; R734-D758 PolarHBondContact NE-OD1 3.36Å; R734-D758 IonicContact NH2-OD1 3.36Å; R734-D758 PolarHBondContact NH2-OD1 2.63Å; R734-D758 VanDerWaalsContact NH2-OD1 3.09Å; R734-D758 IonicContact NH2-OD2 3.24Å; L754-D758 VanDerWaalsContact O-CG 3.29Å; L754-D758 PolarHBondContact O-N 3Å; K755-D758 PolarHBondContact O-N 2.74Å; M756-D758 VanDerWaalsContact C-N 3.35Å; D758-F761 PolarHBondContact O-N 2.99Å; D758-R762 WeakPolarHBondContact O-CB 3.32Å; D758-R762 PolarHBondContact O-N 2.8Å; D758-L777 HydrophobicContact CB-CD1 3.71Å |
| 759 | N | 89.8 | Confident | 88.6 | Confident | 70 Ų | 70 | 43.7 Ų | 43.7 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 175 | -75.3 | -30.2 | 0 | 0 | 0 | 111.8 | K755 R762 N763 | K755-N759 VanDerWaalsContact O-CB 3.23Å; K755-N759 WeakPolarHBondContact O-CB 3.14Å; K755-N759 PolarHBondContact O-N 3.23Å; K755-N759 PolarHBondContact O-ND2 2.83Å; K755-N759 VanDerWaalsContact O-ND2 3.12Å; N759-R762 PolarHBondContact O-N 3.06Å; N759-R762 PolarHBondContact OD1-NH2 3.4Å; N759-N763 VanDerWaalsContact O-CG 3.29Å; N759-N763 PolarHBondContact O-N 3.19Å; N759-N763 VanDerWaalsContact O-N 3.08Å; N759-N763 PolarHBondContact O-OD1 3.23Å |
| 760 | L | 90.4 | Very high | 88 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 177.5 | -177.3 | 61.6 | 0 | 0 | 0 | 111.5 | L615 P618 M684 L687 L691 L730 M756 F757 N763 L764 | L615-L760 HydrophobicContact CD2-CD2 4.28Å; P618-L760 HydrophobicContact CG-CD1 4.03Å; M684-L760 HydrophobicContact CE-CD2 4.01Å; L687-L760 HydrophobicContact CD2-CD2 4.29Å; L691-L760 HydrophobicContact CD2-CD1 4.21Å; L730-L760 HydrophobicContact CD1-CD2 3.95Å; L730-L760 HydrophobicContact CD2-CB 3.96Å; L730-L760 HydrophobicContact CD2-CD2 4Å; L730-L760 HydrophobicContact CD2-CG 3.83Å; M756-L760 WeakPolarHBondContact O-CB 3.36Å; M756-L760 PolarHBondContact O-N 2.83Å; M756-L760 VanDerWaalsContact O-N 3.11Å; F757-L760 PolarHBondContact O-N 3.21Å; L760-N763 PolarHBondContact O-N 3.1Å; L760-L764 HydrophobicContact CG-CD1 4.46Å; L760-L764 WeakPolarHBondContact O-CG 3.49Å; L760-L764 PolarHBondContact O-N 2.87Å; L760-L764 VanDerWaalsContact O-N 3.13Å |
| 761 | F | 91.7 | Very high | 87.3 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.8 | -177.7 | -101.5 | 0 | 0 | 0 | 111.4 | A727 L730 L731 F757 D758 N763 L764 L765 L777 | A727-F761 HydrophobicContact CB-CD2 4.05Å; A727-F761 HydrophobicContact CB-CE2 3.82Å; L730-F761 HydrophobicContact CD2-CB 3.81Å; L730-F761 HydrophobicContact CD2-CD2 4.5Å; L731-F761 HydrophobicContact CD1-CD2 4.43Å; L731-F761 HydrophobicContact CD1-CE2 3.58Å; L731-F761 HydrophobicContact CD1-CZ 4Å; L731-F761 HydrophobicContact CD2-CD2 3.9Å; L731-F761 HydrophobicContact CD2-CE2 3.77Å; L731-F761 HydrophobicContact CD2-CG 4.49Å; L731-F761 HydrophobicContact CD2-CZ 4.23Å; L731-F761 HydrophobicContact CG-CD2 3.95Å; L731-F761 HydrophobicContact CG-CE2 3.59Å; L731-F761 HydrophobicContact CG-CZ 4.34Å; F757-F761 VanDerWaalsContact O-CB 3.27Å; F757-F761 WeakPolarHBondContact O-CB 3.14Å; F757-F761 PolarHBondContact O-N 3.45Å; D758-F761 PolarHBondContact O-N 2.99Å; F761-N763 VanDerWaalsContact C-N 3.31Å; F761-N763 PolarHBondContact O-N 2.97Å; F761-L764 WeakPolarHBondContact O-CB 3.38Å; F761-L764 PolarHBondContact O-N 2.79Å; F761-L764 VanDerWaalsContact O-N 3.08Å; F761-L765 HydrophobicContact CD1-CD1 4.02Å; F761-L765 HydrophobicContact CD1-CG 4.38Å; F761-L765 HydrophobicContact CE1-CD1 3.63Å; F761-L765 HydrophobicContact CE1-CD2 4.38Å; F761-L765 HydrophobicContact CE1-CG 4.12Å; F761-L765 HydrophobicContact CZ-CD1 4.31Å; F761-L765 HydrophobicContact CZ-CD2 4.25Å; F761-L765 HydrophobicContact CZ-CG 4.45Å; F761-L765 PolarHBondContact O-N 2.85Å; F761-L777 HydrophobicContact CB-CD1 4.44Å; F761-L777 HydrophobicContact CD1-CD1 3.7Å; F761-L777 HydrophobicContact CD1-CD2 4.03Å; F761-L777 HydrophobicContact CD1-CG 4.01Å; F761-L777 HydrophobicContact CE1-CD1 4.36Å; F761-L777 HydrophobicContact CE1-CD2 4.3Å; F761-L777 HydrophobicContact CE1-CG 4.24Å; F761-L777 HydrophobicContact CG-CD1 4.39Å; F761-L777 HydrophobicContact CG-CD2 4.37Å |
| 762 | R | 88.2 | Confident | 86.7 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 175.9 | -174.4 | 178 | 59.6 | -153.3 | -11.6 | 112 | D758 N759 L764 L765 Q770 E774 | D758-R762 WeakPolarHBondContact O-CB 3.32Å; D758-R762 PolarHBondContact O-N 2.8Å; N759-R762 PolarHBondContact O-N 3.06Å; N759-R762 PolarHBondContact OD1-NH2 3.4Å; R762-L764 PolarHBondContact O-N 2.86Å; R762-L765 PolarHBondContact O-N 2.98Å; R762-L765 VanDerWaalsContact O-N 3.13Å; R762-Q770 HydrophobicContact CG-CB 3.92Å; R762-Q770 HydrophobicContact CG-CG 3.8Å; R762-Q770 PolarHBondContact O-NE2 3.35Å; R762-E774 IonicContact NH1-OE1 3.9Å |
| 763 | N | 86.8 | Confident | 85.9 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -27.5 | 177 | -69.7 | -9.3 | 0 | 0 | 0 | 112.8 | V715 N759 L760 F761 | V715-N763 VanDerWaalsContact CG1-O 3.24Å; V715-N763 WeakPolarHBondContact CG1-O 3.32Å; N759-N763 VanDerWaalsContact O-CG 3.29Å; N759-N763 PolarHBondContact O-N 3.19Å; N759-N763 VanDerWaalsContact O-N 3.08Å; N759-N763 PolarHBondContact O-OD1 3.23Å; L760-N763 PolarHBondContact O-N 3.1Å; F761-N763 VanDerWaalsContact C-N 3.31Å; F761-N763 PolarHBondContact O-N 2.97Å |
| 764 | L | 88.7 | Confident | 85.1 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -79.2 | -20.8 | 174.9 | -67.9 | 166.5 | 0 | 0 | 0 | 112.7 | V715 R723 L726 A727 L730 L760 F761 R762 | V715-L764 HydrophobicContact CG1-CD2 3.75Å; V715-L764 HydrophobicContact CG1-CG 4.47Å; R723-L764 WeakPolarHBondContact CB-O 3.34Å; R723-L764 WeakPolarHBondContact CD-O 3.33Å; L726-L764 HydrophobicContact CB-CD1 4.03Å; L726-L764 HydrophobicContact CB-CD2 3.93Å; L726-L764 HydrophobicContact CD1-CD2 3.99Å; A727-L764 HydrophobicContact CB-CB 4.25Å; A727-L764 HydrophobicContact CB-CD1 4.37Å; L730-L764 HydrophobicContact CD2-CD1 4.03Å; L760-L764 HydrophobicContact CG-CD1 4.46Å; L760-L764 WeakPolarHBondContact O-CG 3.49Å; L760-L764 PolarHBondContact O-N 2.87Å; L760-L764 VanDerWaalsContact O-N 3.13Å; F761-L764 WeakPolarHBondContact O-CB 3.38Å; F761-L764 PolarHBondContact O-N 2.79Å; F761-L764 VanDerWaalsContact O-N 3.08Å; R762-L764 PolarHBondContact O-N 2.86Å |
| 765 | L | 85.7 | Confident | 84.3 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -78.3 | 145.8 | 177.8 | -68.6 | 178.8 | 0 | 0 | 0 | 112.2 | F761 R762 L769 Q770 | F761-L765 HydrophobicContact CD1-CD1 4.02Å; F761-L765 HydrophobicContact CD1-CG 4.38Å; F761-L765 HydrophobicContact CE1-CD1 3.63Å; F761-L765 HydrophobicContact CE1-CD2 4.38Å; F761-L765 HydrophobicContact CE1-CG 4.12Å; F761-L765 HydrophobicContact CZ-CD1 4.31Å; F761-L765 HydrophobicContact CZ-CD2 4.25Å; F761-L765 HydrophobicContact CZ-CG 4.45Å; F761-L765 PolarHBondContact O-N 2.85Å; R762-L765 PolarHBondContact O-N 2.98Å; R762-L765 VanDerWaalsContact O-N 3.13Å; L765-L769 HydrophobicContact CB-CB 4.5Å; L765-Q770 HydrophobicContact CB-CG 4.17Å; L765-Q770 PolarHBondContact O-NE2 2.66Å |
| 766 | P | 80 | Confident | 83.5 | Confident | 37 Ų | 37 | 58 Ų | 58 | 24% | 0.24 | 32% | 0.316 | C | S | . | . | trans | -55.2 | 145.7 | 167.1 | -20.9 | 30.9 | 0 | 0 | 0 | 111.3 | S768 L769 Q770 | P766-S768 PolarHBondContact O-N 2.96Å; P766-L769 HydrophobicContact CG-CD1 4.17Å; P766-L769 PolarHBondContact O-N 2.83Å; P766-Q770 PolarHBondContact O-N 3.37Å | ||
| 767 | P | 76.7 | Confident | 82.9 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 57% | 0.571 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -33.6 | -179.8 | -29 | 34.6 | 0 | 0 | 0 | 114.2 | L769 | P767-L769 VanDerWaalsContact C-N 3.29Å; P767-L769 PolarHBondContact O-N 3.46Å |
| 768 | S | 80.4 | Confident | 82.4 | Confident | 104 Ų | 104 | 63.7 Ų | 63.7 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.6 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | P766 | P766-S768 PolarHBondContact O-N 2.96Š|
| 769 | L | 81.8 | Confident | 82 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -6.5 | -178 | -66.7 | -179.1 | 0 | 0 | 0 | 113.3 | L765 P766 P767 A771 F772 G773 | L765-L769 HydrophobicContact CB-CB 4.5Å; P766-L769 HydrophobicContact CG-CD1 4.17Å; P766-L769 PolarHBondContact O-N 2.83Å; P767-L769 VanDerWaalsContact C-N 3.29Å; P767-L769 PolarHBondContact O-N 3.46Å; L769-A771 VanDerWaalsContact C-N 3.3Å; L769-A771 PolarHBondContact O-N 2.91Å; L769-F772 WeakPolarHBondContact O-CB 3.48Å; L769-F772 PolarHBondContact O-N 3.45Å; L769-G773 PolarHBondContact O-N 3.14Å |
| 770 | Q | 80 | Confident | 81.5 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | -178 | -72.7 | -178.8 | -5.4 | 0 | 0 | 112.1 | R762 L765 P766 F772 G773 E774 | R762-Q770 HydrophobicContact CG-CB 3.92Å; R762-Q770 HydrophobicContact CG-CG 3.8Å; R762-Q770 PolarHBondContact O-NE2 3.35Å; L765-Q770 HydrophobicContact CB-CG 4.17Å; L765-Q770 PolarHBondContact O-NE2 2.66Å; P766-Q770 PolarHBondContact O-N 3.37Å; Q770-F772 VanDerWaalsContact C-N 3.3Å; Q770-F772 PolarHBondContact O-N 3.37Å; Q770-G773 PolarHBondContact O-N 3.21Å; Q770-E774 PolarHBondContact O-N 3.17Å |
| 771 | A | 79.4 | Confident | 81 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 58% | 0.579 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.7 | -29.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L769 | L769-A771 VanDerWaalsContact C-N 3.3Å; L769-A771 PolarHBondContact O-N 2.91Å |
| 772 | F | 79.2 | Confident | 80.3 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 55% | 0.548 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -75.2 | -36.3 | 174.7 | -177.4 | -100.7 | 0 | 0 | 0 | 111.4 | L769 Q770 E774 N775 L776 | L769-F772 WeakPolarHBondContact O-CB 3.48Å; L769-F772 PolarHBondContact O-N 3.45Å; Q770-F772 VanDerWaalsContact C-N 3.3Å; Q770-F772 PolarHBondContact O-N 3.37Å; F772-E774 VanDerWaalsContact C-N 3.28Å; F772-E774 PolarHBondContact O-N 3.37Å; F772-N775 PolarHBondContact O-N 2.86Å; F772-N775 VanDerWaalsContact O-N 3.16Å; F772-L776 HydrophobicContact CD1-CD1 4.11Å; F772-L776 HydrophobicContact CE1-CD1 3.41Å; F772-L776 VanDerWaalsContact CE1-CD1 3.41Å; F772-L776 HydrophobicContact CZ-CD1 4.07Å; F772-L776 PolarHBondContact O-N 3.03Å |
| 773 | G | 74.4 | Confident | 79.8 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.1 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L769 Q770 N775 L776 L777 | L769-G773 PolarHBondContact O-N 3.14Å; Q770-G773 PolarHBondContact O-N 3.21Å; G773-N775 VanDerWaalsContact C-N 3.27Å; G773-N775 PolarHBondContact O-N 2.59Å; G773-L776 PolarHBondContact O-N 2.83Å; G773-L776 VanDerWaalsContact O-N 3.08Å; G773-L777 PolarHBondContact O-N 3.1Å |
| 774 | E | 74.6 | Confident | 79.3 | Confident | 120 Ų | 120 | 73.6 Ų | 73.6 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.2 | -31.9 | 176 | -72.1 | -176.8 | 171 | 0 | 0 | 113.3 | R762 Q770 F772 L776 | R762-E774 IonicContact NH1-OE1 3.9Å; Q770-E774 PolarHBondContact O-N 3.17Å; F772-E774 VanDerWaalsContact C-N 3.28Å; F772-E774 PolarHBondContact O-N 3.37Å; E774-L776 VanDerWaalsContact C-N 3.32Å |
| 775 | N | 77.2 | Confident | 78.6 | Confident | 142 Ų | 142 | 79 Ų | 79 | 76% | 0.759 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -81 | -13.9 | 176.4 | -68 | -46.7 | 0 | 0 | 0 | 113.3 | F772 G773 | F772-N775 PolarHBondContact O-N 2.86Å; F772-N775 VanDerWaalsContact O-N 3.16Å; G773-N775 VanDerWaalsContact C-N 3.27Å; G773-N775 PolarHBondContact O-N 2.59Å |
| 776 | L | 74.4 | Confident | 78 | Confident | 102 Ų | 102 | 83.4 Ų | 83.4 | 53% | 0.534 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -97.2 | -29.4 | -171.8 | -157.2 | 143.6 | 0 | 0 | 0 | 112.4 | F772 G773 E774 | F772-L776 HydrophobicContact CD1-CD1 4.11Å; F772-L776 HydrophobicContact CE1-CD1 3.41Å; F772-L776 VanDerWaalsContact CE1-CD1 3.41Å; F772-L776 HydrophobicContact CZ-CD1 4.07Å; F772-L776 PolarHBondContact O-N 3.03Å; G773-L776 PolarHBondContact O-N 2.83Å; G773-L776 VanDerWaalsContact O-N 3.08Å; E774-L776 VanDerWaalsContact C-N 3.32Å |
| 777 | L | 78.2 | Confident | 77.8 | Confident | 73 Ų | 73 | 87.6 Ų | 87.6 | 38% | 0.382 | 49% | 0.49 | S | S | . | . | trans | -80.5 | 0 | 177.7 | -71.3 | 172.5 | 0 | 0 | 0 | 112.7 | L731 R734 D758 F761 G773 | L731-L777 HydrophobicContact CD2-CD2 3.78Å; R734-L777 PolarHBondContact NH2-O 3.16Å; D758-L777 HydrophobicContact CB-CD1 3.71Å; F761-L777 HydrophobicContact CB-CD1 4.44Å; F761-L777 HydrophobicContact CD1-CD1 3.7Å; F761-L777 HydrophobicContact CD1-CD2 4.03Å; F761-L777 HydrophobicContact CD1-CG 4.01Å; F761-L777 HydrophobicContact CE1-CD1 4.36Å; F761-L777 HydrophobicContact CE1-CD2 4.3Å; F761-L777 HydrophobicContact CE1-CG 4.24Å; F761-L777 HydrophobicContact CG-CD1 4.39Å; F761-L777 HydrophobicContact CG-CD2 4.37Å; G773-L777 PolarHBondContact O-N 3.1Å |
Retrieved 777 of 777 residues in 223.4 ms
(Link to these results)