| 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 | 76.8 | Confident | 75.7 | Confident | 90 Ų | 90 | 66 Ų | 66 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | 0 | 126.6 | 0 | -65.4 | -117 | -51.7 | 0 | 0 | 109.4 | A10 F11 G48 R49 W50 | M1-A10 VanDerWaalsContact O-CA 3.25Å; M1-A10 WeakPolarHBondContact O-CA 3.48Å; M1-A10 WeakPolarHBondContact O-CB 3.46Å; M1-F11 HydrophobicContact CB-CD1 4.14Å; M1-F11 HydrophobicContact CB-CE1 3.74Å; M1-F11 HydrophobicContact CB-CE2 4.32Å; M1-F11 HydrophobicContact CB-CZ 3.85Å; M1-F11 HydrophobicContact CE-CE1 4.04Å; M1-F11 HydrophobicContact CE-CZ 3.75Å; M1-F11 HydrophobicContact CG-CE1 4.39Å; M1-F11 HydrophobicContact CG-CE2 4.27Å; M1-F11 HydrophobicContact CG-CZ 3.98Å; M1-F11 PolarHBondContact N-O 2.94Å; M1-F11 PolarHBondContact O-N 2.88Å; M1-G48 WeakPolarHBondContact CE-O 3.08Å; M1-R49 VanDerWaalsContact CE-CA 3.48Å; M1-R49 HydrophobicContact CE-CB 4.33Å; M1-R49 HydrophobicContact CE-CG 4.31Å; M1-R49 PolarHBondContact SD-NH1 3.42Å; M1-R49 VanDerWaalsContact SD-NH1 3.43Å; M1-W50 PolarHBondContact O-NE1 3.43Å | |||
| 2 | W | 79.9 | Confident | 76.1 | Confident | 175 Ų | 175 | 63.8 Ų | 63.8 | 66% | 0.663 | 34% | 0.338 | S | S | * | . | B | Isolated β-bridge | trans | -75.1 | 140.2 | -176.9 | -69.8 | 92.5 | 0 | 0 | 0 | 112 | I7 L23 W50 | W2-I7 WeakPolarHBondContact CZ3-O 3.39Å; W2-L23 HydrophobicContact CD2-CD1 4.4Å; W2-L23 HydrophobicContact CE3-CD1 3.65Å; W2-L23 HydrophobicContact CH2-CD1 3.17Å; W2-L23 HydrophobicContact CZ2-CD1 3.95Å; W2-L23 HydrophobicContact CZ3-CD1 3Å; W2-L23 HydrophobicContact CZ3-CG 4.44Å; W2-W50 VanDerWaalsContact C-NE1 3.31Å; W2-W50 PolarHBondContact O-NE1 2.73Å; W2-W50 VanDerWaalsContact O-NE1 3.16Å |
| 3 | N | 78.6 | Confident | 76.7 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.08 | 33% | 0.33 | C | S | . | . | trans | -74 | 120.1 | 168.1 | -174 | -41.2 | 0 | 0 | 0 | 108.3 | Q5 S6 C9 W50 C56 | N3-Q5 PolarHBondContact O-N 3.1Å; N3-Q5 PolarHBondContact OD1-N 2.74Å; N3-S6 PolarHBondContact O-N 3.42Å; N3-S6 PolarHBondContact OD1-N 3.14Å; N3-C9 HydrophobicContact CB-CB 3.98Å; N3-C9 WeakPolarHBondContact CB-O 3.35Å; N3-C9 PolarHBondContact N-O 3.14Å; N3-W50 HydrophobicContact CB-CD2 4.29Å; N3-W50 HydrophobicContact CB-CH2 4.36Å; N3-W50 HydrophobicContact CB-CZ2 3.81Å; N3-C56 PolarHBondContact ND2-O 3.04Å; N3-C56 VanDerWaalsContact ND2-O 3.13Å; N3-C56 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 4 | P | 75 | Confident | 77 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.9 | -175.2 | 27.8 | -32.9 | 0 | 0 | 0 | 113.4 | C56 | P4-C56 WeakPolarHBondContact CG-SG 3.47Š|
| 5 | Q | 72.7 | Confident | 77.2 | Confident | 115 Ų | 115 | 67.9 Ų | 67.9 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -9.1 | 177.4 | -67.6 | -175.9 | -0.2 | 0 | 0 | 114 | N3 N55 C56 | N3-Q5 PolarHBondContact O-N 3.1Å; N3-Q5 PolarHBondContact OD1-N 2.74Å; Q5-N55 PolarHBondContact OE1-O 2.96Å; Q5-N55 VanDerWaalsContact OE1-O 3.13Å; Q5-C56 HydrophobicContact CB-CB 4.28Å; Q5-C56 HydrophobicContact CG-CB 4.31Å |
| 6 | S | 69.7 | Low | 77.6 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | trans | -131.6 | 121 | -179.7 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | N3 C8 C9 | N3-S6 PolarHBondContact O-N 3.42Å; N3-S6 PolarHBondContact OD1-N 3.14Å; S6-C8 PolarHBondContact O-N 3.35Å; S6-C8 PolarHBondContact OG-N 3.13Å; S6-C9 PolarHBondContact OG-N 3.29Å | ||
| 7 | I | 69.8 | Low | 77.8 | Confident | 139 Ų | 139 | 65.5 Ų | 65.5 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.6 | 174 | 62.1 | 173.3 | 0 | 0 | 0 | 112.4 | W2 | W2-I7 WeakPolarHBondContact CZ3-O 3.39Š|
| 8 | C | 69.3 | Low | 78.1 | Confident | 27 Ų | 27 | 62 Ų | 62 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -15.2 | -171.8 | -32.5 | 0 | 0 | 0 | 0 | 112.2 | S6 D22 L23 D24 | S6-C8 PolarHBondContact O-N 3.35Å; S6-C8 PolarHBondContact OG-N 3.13Å; C8-D22 WeakPolarHBondContact CB-OD1 3.45Å; C8-D22 CarbonylContact O-C 3.58Å; C8-D22 VanDerWaalsContact O-CA 3.27Å; C8-D22 WeakPolarHBondContact O-CA 3.42Å; C8-L23 WeakPolarHBondContact O-CG 2.91Å; C8-L23 PolarHBondContact O-N 2.93Å; C8-D24 HydrophobicContact CB-CB 4.4Å; C8-D24 VanDerWaalsContact SG-CG 3.53Å; C8-D24 PolarHBondContact SG-OD2 2.6Å |
| 9 | C | 77.3 | Confident | 78.5 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 10% | 0.095 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.4 | -171.7 | -168.1 | 0 | 0 | 0 | 0 | 112 | N3 S6 | N3-C9 HydrophobicContact CB-CB 3.98Å; N3-C9 WeakPolarHBondContact CB-O 3.35Å; N3-C9 PolarHBondContact N-O 3.14Å; S6-C9 PolarHBondContact OG-N 3.29Å |
| 10 | A | 80 | Confident | 78.7 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | M1 T21 L23 | M1-A10 VanDerWaalsContact O-CA 3.25Å; M1-A10 WeakPolarHBondContact O-CA 3.48Å; M1-A10 WeakPolarHBondContact O-CB 3.46Å; A10-T21 PolarHBondContact N-O 3.28Å; A10-T21 VanDerWaalsContact N-O 3.15Å; A10-T21 PolarHBondContact O-N 3.02Å; A10-L23 HydrophobicContact CB-CD1 4.16Å |
| 11 | F | 83.4 | Confident | 78.7 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 150.2 | 164.2 | 78.6 | -96 | 0 | 0 | 0 | 112.2 | M1 L13 L18 V19 L20 W50 V59 | M1-F11 HydrophobicContact CB-CD1 4.14Å; M1-F11 HydrophobicContact CB-CE1 3.74Å; M1-F11 HydrophobicContact CB-CE2 4.32Å; M1-F11 HydrophobicContact CB-CZ 3.85Å; M1-F11 HydrophobicContact CE-CE1 4.04Å; M1-F11 HydrophobicContact CE-CZ 3.75Å; M1-F11 HydrophobicContact CG-CE1 4.39Å; M1-F11 HydrophobicContact CG-CE2 4.27Å; M1-F11 HydrophobicContact CG-CZ 3.98Å; M1-F11 PolarHBondContact N-O 2.94Å; M1-F11 PolarHBondContact O-N 2.88Å; F11-L13 HydrophobicContact CD2-CD2 3.93Å; F11-L13 HydrophobicContact CD2-CG 4.2Å; F11-L13 HydrophobicContact CE2-CD1 4.33Å; F11-L13 HydrophobicContact CE2-CD2 3.85Å; F11-L13 HydrophobicContact CE2-CG 3.92Å; F11-L18 HydrophobicContact CB-CD1 3.76Å; F11-L18 HydrophobicContact CD2-CD1 3.41Å; F11-L18 VanDerWaalsContact CD2-CD1 3.41Å; F11-L18 HydrophobicContact CE2-CD1 4.16Å; F11-L18 HydrophobicContact CG-CD1 3.71Å; F11-V19 CarbonylContact C-O 3.47Å; F11-V19 WeakPolarHBondContact CA-O 3.45Å; F11-V19 WeakPolarHBondContact CB-O 3.22Å; F11-L20 HydrophobicContact CB-CD2 3.76Å; F11-W50 HydrophobicContact CB-CZ2 4.39Å; F11-W50 AromaticContact CD1-CD1 3.99Å; F11-W50 HydrophobicContact CD1-CD2 4.12Å; F11-W50 AromaticContact CD1-CE2 3.41Å; F11-W50 VanDerWaalsContact CD1-CE2 3.41Å; F11-W50 HydrophobicContact CD1-CG 4.45Å; F11-W50 HydrophobicContact CD1-CH2 4.47Å; F11-W50 AromaticContact CD1-CZ2 3.65Å; F11-W50 HydrophobicContact CD1-CZ2 3.65Å; F11-W50 AromaticContact CD1-NE1 3.32Å; F11-W50 VanDerWaalsContact CD1-NE1 3.32Å; F11-W50 AromaticContact CE1-CD1 3.65Å; F11-W50 HydrophobicContact CE1-CD2 4.16Å; F11-W50 AromaticContact CE1-CE2 3.84Å; F11-W50 HydrophobicContact CE1-CG 4.07Å; F11-W50 HydrophobicContact CE1-CZ2 4.48Å; F11-W50 AromaticContact CE1-NE1 3.47Å; F11-V59 HydrophobicContact CD1-CG1 3.79Å; F11-V59 HydrophobicContact CE1-CB 4.39Å; F11-V59 HydrophobicContact CE1-CG1 3.78Å |
| 12 | A | 81.4 | Confident | 78.6 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 150.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L14 V19 | A12-L14 HydrophobicContact CB-CG 4.39Å; A12-V19 PolarHBondContact N-O 3.42Å; A12-V19 PolarHBondContact O-N 2.74Å |
| 13 | L | 83.6 | Confident | 78.3 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 113.8 | 171.1 | -56.8 | 177.9 | 0 | 0 | 0 | 106.7 | F11 N17 L18 L45 A47 V61 | F11-L13 HydrophobicContact CD2-CD2 3.93Å; F11-L13 HydrophobicContact CD2-CG 4.2Å; F11-L13 HydrophobicContact CE2-CD1 4.33Å; F11-L13 HydrophobicContact CE2-CD2 3.85Å; F11-L13 HydrophobicContact CE2-CG 3.92Å; L13-N17 WeakPolarHBondContact CA-O 3.5Å; L13-L18 HydrophobicContact CD2-CD1 3.8Å; L13-L45 HydrophobicContact CB-CB 4Å; L13-L45 HydrophobicContact CB-CD1 4.38Å; L13-L45 HydrophobicContact CD1-CB 4.11Å; L13-L45 HydrophobicContact CD2-CB 4.39Å; L13-L45 HydrophobicContact CD2-CD1 3.86Å; L13-L45 HydrophobicContact CG-CB 4.38Å; L13-A47 WeakPolarHBondContact CD1-O 3.19Å; L13-V61 HydrophobicContact CD2-CG1 4.07Å; L13-V61 HydrophobicContact CD2-CG2 4.31Å |
| 14 | L | 80.9 | Confident | 78.1 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 108.6 | -177.7 | -69.5 | 173.4 | 0 | 0 | 0 | 108.3 | A12 D16 N17 V19 | A12-L14 HydrophobicContact CB-CG 4.39Å; L14-D16 PolarHBondContact O-N 3.39Å; L14-N17 PolarHBondContact N-O 3.03Å; L14-N17 WeakPolarHBondContact O-CB 3.5Å; L14-N17 PolarHBondContact O-N 3.04Å; L14-V19 HydrophobicContact CB-CG2 4.44Å; L14-V19 HydrophobicContact CD1-CG2 4.09Å |
| 15 | D | 80.3 | Confident | 77.5 | Confident | 107 Ų | 107 | 49.4 Ų | 49.4 | 57% | 0.572 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -100.9 | -170.3 | -59.7 | -50.7 | 0 | 0 | 0 | 111.9 | L45 | D15-L45 WeakPolarHBondContact O-CG 3.13Å; D15-L45 PolarHBondContact O-N 3.36Å; D15-L45 VanDerWaalsContact O-N 3.12Å |
| 16 | D | 82.4 | Confident | 77.4 | Confident | 45 Ų | 45 | 51 Ų | 51 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 4.1 | -176.9 | -57.2 | -10.3 | 0 | 0 | 0 | 112 | L14 R34 V35 I37 | L14-D16 PolarHBondContact O-N 3.39Å; D16-R34 IonicContact OD2-NH2 3.86Å; D16-V35 PolarHBondContact O-N 3.36Å; D16-I37 HydrophobicContact CB-CD1 3.5Å; D16-I37 WeakPolarHBondContact OD1-CD1 3.41Å; D16-I37 WeakPolarHBondContact OD2-CD1 3.25Å |
| 17 | N | 81.8 | Confident | 77.4 | Confident | 50 Ų | 50 | 55 Ų | 55 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.4 | -171.8 | -59.9 | -59.8 | 0 | 0 | 0 | 111.8 | L13 L14 V19 T32 N33 | L13-N17 WeakPolarHBondContact CA-O 3.5Å; L14-N17 PolarHBondContact N-O 3.03Å; L14-N17 WeakPolarHBondContact O-CB 3.5Å; L14-N17 PolarHBondContact O-N 3.04Å; N17-V19 HydrophobicContact CB-CG2 4.11Å; N17-T32 HydrophobicContact CB-CG2 3.86Å; N17-N33 WeakPolarHBondContact CA-O 3.41Å |
| 18 | L | 83.1 | Confident | 77.6 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 111.3 | 160 | 175.5 | 68.5 | 0 | 0 | 0 | 107.9 | F11 L13 N33 V35 V59 V61 W70 | F11-L18 HydrophobicContact CB-CD1 3.76Å; F11-L18 HydrophobicContact CD2-CD1 3.41Å; F11-L18 VanDerWaalsContact CD2-CD1 3.41Å; F11-L18 HydrophobicContact CE2-CD1 4.16Å; F11-L18 HydrophobicContact CG-CD1 3.71Å; L13-L18 HydrophobicContact CD2-CD1 3.8Å; L18-N33 PolarHBondContact N-O 3.12Å; L18-N33 PolarHBondContact O-N 3.4Å; L18-V35 HydrophobicContact CB-CG2 4.11Å; L18-V59 HydrophobicContact CD1-CG2 4.25Å; L18-V59 HydrophobicContact CD2-CG2 3.57Å; L18-V61 HydrophobicContact CD1-CG2 4.34Å; L18-W70 HydrophobicContact CD2-CB 4.46Å |
| 19 | V | 85.1 | Confident | 78 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.4 | -179.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | F11 A12 L14 N17 V29 T32 | F11-V19 CarbonylContact C-O 3.47Å; F11-V19 WeakPolarHBondContact CA-O 3.45Å; F11-V19 WeakPolarHBondContact CB-O 3.22Å; A12-V19 PolarHBondContact N-O 3.42Å; A12-V19 PolarHBondContact O-N 2.74Å; L14-V19 HydrophobicContact CB-CG2 4.44Å; L14-V19 HydrophobicContact CD1-CG2 4.09Å; N17-V19 HydrophobicContact CB-CG2 4.11Å; V19-V29 HydrophobicContact CG1-CB 4.42Å; V19-V29 HydrophobicContact CG1-CG1 3.72Å; V19-V29 HydrophobicContact CG1-CG2 3.87Å; V19-T32 HydrophobicContact CG2-CG2 4.11Å |
| 20 | L | 82.1 | Confident | 77.9 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.2 | 174.6 | -69 | 163.2 | 0 | 0 | 0 | 109.2 | F11 V29 I30 A31 W50 I72 L75 | F11-L20 HydrophobicContact CB-CD2 3.76Å; L20-V29 CarbonylContact O-C 3.53Å; L20-V29 WeakPolarHBondContact O-CA 3.29Å; L20-I30 PolarHBondContact O-N 2.82Å; L20-A31 HydrophobicContact CB-CB 4.34Å; L20-A31 HydrophobicContact CD1-CB 4.19Å; L20-A31 PolarHBondContact N-O 2.82Å; L20-A31 PolarHBondContact O-N 3.26Å; L20-W50 HydrophobicContact CD2-CH2 3.87Å; L20-W50 HydrophobicContact CD2-CZ2 4.29Å; L20-I72 HydrophobicContact CD1-CB 3.8Å; L20-I72 HydrophobicContact CD1-CG2 3.93Å; L20-I72 HydrophobicContact CD2-CB 4.49Å; L20-I72 HydrophobicContact CD2-CG2 4Å; L20-L75 HydrophobicContact CD1-CD2 3.98Å |
| 21 | T | 79.8 | Confident | 77.7 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 14% | 0.135 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.6 | -175.7 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | A10 L23 L27 R28 | A10-T21 PolarHBondContact N-O 3.28Å; A10-T21 VanDerWaalsContact N-O 3.15Å; A10-T21 PolarHBondContact O-N 3.02Å; T21-L23 HydrophobicContact CG2-CD2 4.04Å; T21-L27 VanDerWaalsContact CG2-C 3.5Å; T21-L27 HydrophobicContact CG2-CB 4.26Å; T21-L27 HydrophobicContact CG2-CD2 4.36Å; T21-L27 WeakPolarHBondContact CG2-O 3.26Å; T21-R28 WeakPolarHBondContact CA-O 3.47Å; T21-R28 WeakPolarHBondContact CG2-O 3.48Å |
| 22 | D | 75 | Confident | 77.4 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 23% | 0.225 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.1 | 166.4 | -160.1 | -25.9 | 0 | 0 | 0 | 108.4 | C8 D24 L27 R28 I30 | C8-D22 WeakPolarHBondContact CB-OD1 3.45Å; C8-D22 CarbonylContact O-C 3.58Å; C8-D22 VanDerWaalsContact O-CA 3.27Å; C8-D22 WeakPolarHBondContact O-CA 3.42Å; D22-D24 PolarHBondContact OD1-N 3.08Å; D22-L27 CarbonylContact O-C 3.56Å; D22-L27 VanDerWaalsContact O-CA 3.31Å; D22-L27 WeakPolarHBondContact O-CA 3.5Å; D22-L27 PolarHBondContact O-N 2.96Å; D22-R28 PolarHBondContact N-O 3.09Å; D22-R28 PolarHBondContact O-N 3.11Å; D22-I30 HydrophobicContact CB-CD1 3.55Å; D22-I30 HydrophobicContact CB-CG1 3.54Å |
| 23 | L | 72.9 | Confident | 77.3 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -91 | -19.2 | -176.9 | -55.9 | 178.1 | 0 | 0 | 0 | 112.2 | W2 C8 A10 T21 S25 L27 | W2-L23 HydrophobicContact CD2-CD1 4.4Å; W2-L23 HydrophobicContact CE3-CD1 3.65Å; W2-L23 HydrophobicContact CH2-CD1 3.17Å; W2-L23 HydrophobicContact CZ2-CD1 3.95Å; W2-L23 HydrophobicContact CZ3-CD1 3Å; W2-L23 HydrophobicContact CZ3-CG 4.44Å; C8-L23 WeakPolarHBondContact O-CG 2.91Å; C8-L23 PolarHBondContact O-N 2.93Å; A10-L23 HydrophobicContact CB-CD1 4.16Å; T21-L23 HydrophobicContact CG2-CD2 4.04Å; L23-S25 VanDerWaalsContact C-N 3.26Å; L23-S25 PolarHBondContact O-N 3.22Å; L23-L27 HydrophobicContact CD2-CD2 3.36Å |
| 24 | D | 73.9 | Confident | 77 | Confident | 116 Ų | 116 | 73.1 Ų | 73.1 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -75.9 | -20.6 | 176.1 | -81.5 | -3.4 | 0 | 0 | 0 | 112.1 | C8 D22 | C8-D24 HydrophobicContact CB-CB 4.4Å; C8-D24 VanDerWaalsContact SG-CG 3.53Å; C8-D24 PolarHBondContact SG-OD2 2.6Å; D22-D24 PolarHBondContact OD1-N 3.08Å |
| 25 | S | 63.9 | Low | 76.8 | Confident | 51 Ų | 51 | 68.4 Ų | 68.4 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -112.2 | 55.3 | -172.7 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | L23 L27 R28 | L23-S25 VanDerWaalsContact C-N 3.26Å; L23-S25 PolarHBondContact O-N 3.22Å; S25-L27 PolarHBondContact O-N 2.85Å; S25-R28 VanDerWaalsContact O-CB 3.27Å; S25-R28 WeakPolarHBondContact O-CB 3.49Å; S25-R28 WeakPolarHBondContact O-CD 3.35Å; S25-R28 WeakPolarHBondContact O-CG 3.39Å; S25-R28 PolarHBondContact O-N 3Å; S25-R28 VanDerWaalsContact O-N 3.11Å |
| 26 | D | 70.5 | Confident | 76.1 | Confident | 148 Ų | 148 | 66.4 Ų | 66.4 | 79% | 0.791 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 42.7 | 178 | -67.5 | -35.4 | 0 | 0 | 0 | 114.3 | R28 | D26-R28 PolarHBondContact O-N 2.8Š|
| 27 | L | 69.5 | Low | 75.1 | Confident | 124 Ų | 124 | 66.2 Ų | 66.2 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 30.4 | -178 | -62.9 | 161.7 | 0 | 0 | 0 | 113.4 | T21 D22 L23 S25 V29 | T21-L27 VanDerWaalsContact CG2-C 3.5Å; T21-L27 HydrophobicContact CG2-CB 4.26Å; T21-L27 HydrophobicContact CG2-CD2 4.36Å; T21-L27 WeakPolarHBondContact CG2-O 3.26Å; D22-L27 CarbonylContact O-C 3.56Å; D22-L27 VanDerWaalsContact O-CA 3.31Å; D22-L27 WeakPolarHBondContact O-CA 3.5Å; D22-L27 PolarHBondContact O-N 2.96Å; L23-L27 HydrophobicContact CD2-CD2 3.36Å; S25-L27 PolarHBondContact O-N 2.85Å; L27-V29 PolarHBondContact O-N 3.01Å |
| 28 | R | 74 | Confident | 73.7 | Confident | 173 Ų | 173 | 69.1 Ų | 69.1 | 65% | 0.653 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 128.2 | 177 | -83 | 173.8 | -166.6 | -161.9 | 3 | 110.6 | T21 D22 S25 D26 I30 | T21-R28 WeakPolarHBondContact CA-O 3.47Å; T21-R28 WeakPolarHBondContact CG2-O 3.48Å; D22-R28 PolarHBondContact N-O 3.09Å; D22-R28 PolarHBondContact O-N 3.11Å; S25-R28 VanDerWaalsContact O-CB 3.27Å; S25-R28 WeakPolarHBondContact O-CB 3.49Å; S25-R28 WeakPolarHBondContact O-CD 3.35Å; S25-R28 WeakPolarHBondContact O-CG 3.39Å; S25-R28 PolarHBondContact O-N 3Å; S25-R28 VanDerWaalsContact O-N 3.11Å; D26-R28 PolarHBondContact O-N 2.8Å; R28-I30 PolarHBondContact O-N 3.11Å |
| 29 | V | 76.1 | Confident | 72.1 | Confident | 83 Ų | 83 | 73 Ų | 73 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 115.8 | 168.2 | 177 | 0 | 0 | 0 | 0 | 108.1 | V19 L20 L27 | V19-V29 HydrophobicContact CG1-CB 4.42Å; V19-V29 HydrophobicContact CG1-CG1 3.72Å; V19-V29 HydrophobicContact CG1-CG2 3.87Å; L20-V29 CarbonylContact O-C 3.53Å; L20-V29 WeakPolarHBondContact O-CA 3.29Å; L27-V29 PolarHBondContact O-N 3.01Å |
| 30 | I | 76.6 | Confident | 70.3 | Confident | 102 Ų | 102 | 83.2 Ų | 83.2 | 52% | 0.523 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -43 | 177.3 | -54.4 | 168.8 | 0 | 0 | 0 | 109.4 | L20 D22 R28 | L20-I30 PolarHBondContact O-N 2.82Å; D22-I30 HydrophobicContact CB-CD1 3.55Å; D22-I30 HydrophobicContact CB-CG1 3.54Å; R28-I30 PolarHBondContact O-N 3.11Å |
| 31 | A | 75.4 | Confident | 68.5 | Low | 19 Ų | 19 | 85.3 Ų | 85.3 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 146.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L20 L75 | L20-A31 HydrophobicContact CB-CB 4.34Å; L20-A31 HydrophobicContact CD1-CB 4.19Å; L20-A31 PolarHBondContact N-O 2.82Å; L20-A31 PolarHBondContact O-N 3.26Å; A31-L75 HydrophobicContact CB-CD1 3.97Å; A31-L75 HydrophobicContact CB-CD2 4.06Å |
| 32 | T | 77.4 | Confident | 67 | Low | 80 Ų | 80 | 91.2 Ų | 91.2 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.2 | 169.1 | -60.2 | 0 | 0 | 0 | 0 | 107.4 | N17 V19 | N17-T32 HydrophobicContact CB-CG2 3.86Å; V19-T32 HydrophobicContact CG2-CG2 4.11Å |
| 33 | N | 78.9 | Confident | 66.1 | Low | 28 Ų | 28 | 89.8 Ų | 89.8 | 15% | 0.15 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.8 | 175.5 | -158.5 | -9.5 | 0 | 0 | 0 | 109.9 | N17 L18 V35 W70 L75 | N17-N33 WeakPolarHBondContact CA-O 3.41Å; L18-N33 PolarHBondContact N-O 3.12Å; L18-N33 PolarHBondContact O-N 3.4Å; N33-V35 PolarHBondContact O-N 3.07Å; N33-W70 VanDerWaalsContact ND2-CE3 3.29Å; N33-W70 VanDerWaalsContact ND2-CZ3 3.3Å; N33-W70 WeakPolarHBondContact ND2-CZ3 3.41Å; N33-L75 HydrophobicContact CB-CD2 4.42Å; N33-L75 PolarHBondContact ND2-O 3.4Å |
| 34 | R | 77.8 | Confident | 66.3 | Low | 177 Ų | 177 | 95.5 Ų | 95.5 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.7 | 176.8 | -171 | 178.3 | -174.1 | -174 | 2.1 | 108.3 | D16 A36 | D16-R34 IonicContact OD2-NH2 3.86Å; R34-A36 PolarHBondContact O-N 3.33Å |
| 35 | V | 75.8 | Confident | 67 | Low | 1 Ų | 1 | 90.9 Ų | 90.9 | 1% | 0.006 | 48% | 0.476 | C | S | . | . | trans | -77.4 | 123.4 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | D16 L18 N33 I37 L45 V61 W70 | D16-V35 PolarHBondContact O-N 3.36Å; L18-V35 HydrophobicContact CB-CG2 4.11Å; N33-V35 PolarHBondContact O-N 3.07Å; V35-I37 PolarHBondContact O-N 3.07Å; V35-I37 VanDerWaalsContact O-N 3.08Å; V35-L45 HydrophobicContact CB-CD1 4.32Å; V35-L45 HydrophobicContact CB-CD2 4.02Å; V35-L45 HydrophobicContact CG1-CD2 4.05Å; V35-L45 HydrophobicContact CG2-CD1 4.09Å; V35-L45 HydrophobicContact CG2-CD2 4.47Å; V35-V61 HydrophobicContact CG2-CG1 4.45Å; V35-W70 HydrophobicContact CB-CZ2 4.2Å; V35-W70 HydrophobicContact CG1-CZ2 3.93Å; V35-W70 HydrophobicContact CG2-CZ2 4.13Å | ||
| 36 | A | 66.3 | Low | 68.3 | Low | 64 Ų | 64 | 91.1 Ų | 91.1 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | trans | -66.4 | 110.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | R34 N38 | R34-A36 PolarHBondContact O-N 3.33Å; A36-N38 PolarHBondContact O-N 3.47Å | ||
| 37 | I | 61.9 | Low | 69.4 | Low | 41 Ų | 41 | 84.4 Ų | 84.4 | 21% | 0.21 | 44% | 0.44 | C | S | . | . | trans | -85 | 94.1 | 176.5 | -59.7 | 151.4 | 0 | 0 | 0 | 107.6 | D16 V35 N39 G43 S63 | D16-I37 HydrophobicContact CB-CD1 3.5Å; D16-I37 WeakPolarHBondContact OD1-CD1 3.41Å; D16-I37 WeakPolarHBondContact OD2-CD1 3.25Å; V35-I37 PolarHBondContact O-N 3.07Å; V35-I37 VanDerWaalsContact O-N 3.08Å; I37-N39 PolarHBondContact O-N 2.79Å; I37-G43 WeakPolarHBondContact CD1-O 3.34Å; I37-G43 VanDerWaalsContact CG1-O 3.25Å; I37-G43 WeakPolarHBondContact CG1-O 3.45Å; I37-G43 WeakPolarHBondContact CG2-O 3.1Å; I37-S63 VanDerWaalsContact CG1-OG 3.27Å; I37-S63 WeakPolarHBondContact CG1-OG 3.49Å | ||
| 38 | N | 52.2 | Low | 70.5 | Confident | 112 Ų | 112 | 78.6 Ų | 78.6 | 60% | 0.599 | 41% | 0.41 | S | S | * | . | trans | -77.9 | 78.3 | 170.8 | -75.6 | -11 | 0 | 0 | 0 | 108.8 | A36 | A36-N38 PolarHBondContact O-N 3.47Š| ||
| 39 | N | 48.8 | Very low | 71.5 | Confident | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -170.6 | 146.7 | 151.1 | -95.7 | -34.4 | 0 | 0 | 0 | 112.9 | I37 G41 | I37-N39 PolarHBondContact O-N 2.79Å; N39-G41 PolarHBondContact O-N 2.79Å |
| 40 | K | 48.1 | Very low | 72.3 | Confident | 229 Ų | 229 | 68.8 Ų | 68.8 | 100% | 0.996 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -69.3 | 35.3 | 177.8 | -67.1 | 179.3 | 173.8 | 178.1 | 0 | 113.8 | ||
| 41 | G | 43.9 | Very low | 73.1 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -144.8 | 160.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | N39 G43 | N39-G41 PolarHBondContact O-N 2.79Å; G41-G43 PolarHBondContact O-N 3.14Å |
| 42 | T | 47.7 | Very low | 73.9 | Confident | 147 Ų | 147 | 65.7 Ų | 65.7 | 90% | 0.902 | 35% | 0.349 | S | S | * | . | trans | -58.3 | 71.8 | -176.3 | 52.8 | 0 | 0 | 0 | 0 | 113 | R44 | T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact O-N 2.76Å | ||
| 43 | G | 56.7 | Low | 74.5 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 11% | 0.113 | 34% | 0.337 | C | S | . | . | trans | -87.4 | 69.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I37 G41 | I37-G43 WeakPolarHBondContact CD1-O 3.34Å; I37-G43 VanDerWaalsContact CG1-O 3.25Å; I37-G43 WeakPolarHBondContact CG1-O 3.45Å; I37-G43 WeakPolarHBondContact CG2-O 3.1Å; G41-G43 PolarHBondContact O-N 3.14Å | ||
| 44 | R | 76.7 | Confident | 74.8 | Confident | 167 Ų | 167 | 66 Ų | 66 | 63% | 0.63 | 34% | 0.343 | S | S | * | . | trans | -61.3 | 150.3 | 168.2 | -73 | -178 | 175.1 | 171.1 | -1.6 | 110.3 | T42 T46 | T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact O-N 2.76Å; R44-T46 PolarHBondContact O-N 2.89Å | ||
| 45 | L | 88.1 | Confident | 74.9 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 124.2 | 170 | -54.6 | -177.6 | 0 | 0 | 0 | 108.9 | L13 D15 V35 V61 A62 | L13-L45 HydrophobicContact CB-CB 4Å; L13-L45 HydrophobicContact CB-CD1 4.38Å; L13-L45 HydrophobicContact CD1-CB 4.11Å; L13-L45 HydrophobicContact CD2-CB 4.39Å; L13-L45 HydrophobicContact CD2-CD1 3.86Å; L13-L45 HydrophobicContact CG-CB 4.38Å; D15-L45 WeakPolarHBondContact O-CG 3.13Å; D15-L45 PolarHBondContact O-N 3.36Å; D15-L45 VanDerWaalsContact O-N 3.12Å; V35-L45 HydrophobicContact CB-CD1 4.32Å; V35-L45 HydrophobicContact CB-CD2 4.02Å; V35-L45 HydrophobicContact CG1-CD2 4.05Å; V35-L45 HydrophobicContact CG2-CD1 4.09Å; V35-L45 HydrophobicContact CG2-CD2 4.47Å; L45-V61 HydrophobicContact CB-CG1 4.31Å; L45-V61 HydrophobicContact CD1-CG1 4.04Å; L45-V61 HydrophobicContact CD2-CG1 3.74Å; L45-V61 HydrophobicContact CG-CG1 4.23Å; L45-A62 WeakPolarHBondContact CA-O 3.46Å |
| 46 | T | 91.3 | Very high | 74.8 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -31.3 | -171.1 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | R44 A62 V89 | R44-T46 PolarHBondContact O-N 2.89Å; T46-A62 PolarHBondContact N-O 3.37Å; T46-A62 VanDerWaalsContact N-O 3.17Å; T46-A62 WeakPolarHBondContact OG1-CB 3.44Å; T46-V89 VanDerWaalsContact CB-O 3.29Å; T46-V89 WeakPolarHBondContact CB-O 3.16Å; T46-V89 PolarHBondContact OG1-O 3.43Å |
| 47 | A | 93.5 | Very high | 75.7 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 156.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L13 V61 A62 L92 | L13-A47 WeakPolarHBondContact CD1-O 3.19Å; A47-V61 WeakPolarHBondContact O-CA 3.35Å; A47-A62 HydrophobicContact CB-CB 4.16Å; A47-A62 PolarHBondContact O-N 2.81Å; A47-L92 HydrophobicContact CB-CD2 4.34Å |
| 48 | G | 94.2 | Very high | 77.1 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | M1 A60 | M1-G48 WeakPolarHBondContact CE-O 3.08Å; G48-A60 CarbonylContact C-O 3.5Å; G48-A60 WeakPolarHBondContact CA-O 3.5Å |
| 49 | R | 94.5 | Very high | 79 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.4 | 174.8 | -65 | -82.7 | 174 | -79.2 | -2 | 111 | M1 V59 A60 D91 L92 D93 F94 | M1-R49 VanDerWaalsContact CE-CA 3.48Å; M1-R49 HydrophobicContact CE-CB 4.33Å; M1-R49 HydrophobicContact CE-CG 4.31Å; M1-R49 PolarHBondContact SD-NH1 3.42Å; M1-R49 VanDerWaalsContact SD-NH1 3.43Å; R49-V59 CarbonylContact O-C 3.58Å; R49-V59 VanDerWaalsContact O-CA 3.24Å; R49-V59 WeakPolarHBondContact O-CA 3.44Å; R49-A60 PolarHBondContact N-O 3.49Å; R49-A60 PolarHBondContact O-N 2.53Å; R49-D91 IonicContact CZ-OD1 2.68Å; R49-D91 IonicContact NH1-OD1 2.78Å; R49-D91 VanDerWaalsContact NH2-CG 3.32Å; R49-D91 IonicContact NH2-OD1 3.77Å; R49-D91 PolarHBondContact NH2-OD1 3.43Å; R49-D91 IonicContact NH2-OD2 3.41Å; R49-D91 PolarHBondContact NH2-OD2 2.8Å; R49-L92 HydrophobicContact CB-CD1 3.56Å; R49-L92 HydrophobicContact CG-CD1 3.46Å; R49-L92 VanDerWaalsContact CG-CD1 3.46Å; R49-L92 HydrophobicContact CG-CG 4.15Å; R49-L92 WeakPolarHBondContact CG-O 3.35Å; R49-L92 PolarHBondContact NE-O 2.94Å; R49-L92 VanDerWaalsContact NE-O 3.08Å; R49-D93 IonicContact NE-OD1 3.76Å; R49-F94 HydrophobicContact CB-CD2 3.97Å; R49-F94 HydrophobicContact CB-CE2 4.12Å |
| 50 | W | 92.9 | Very high | 81.2 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 139.1 | 165.5 | -70.6 | 102.8 | 0 | 0 | 0 | 109.3 | M1 W2 N3 F11 L20 P52 C56 V59 I72 F94 | M1-W50 PolarHBondContact O-NE1 3.43Å; W2-W50 VanDerWaalsContact C-NE1 3.31Å; W2-W50 PolarHBondContact O-NE1 2.73Å; W2-W50 VanDerWaalsContact O-NE1 3.16Å; N3-W50 HydrophobicContact CB-CD2 4.29Å; N3-W50 HydrophobicContact CB-CH2 4.36Å; N3-W50 HydrophobicContact CB-CZ2 3.81Å; F11-W50 HydrophobicContact CB-CZ2 4.39Å; F11-W50 AromaticContact CD1-CD1 3.99Å; F11-W50 HydrophobicContact CD1-CD2 4.12Å; F11-W50 AromaticContact CD1-CE2 3.41Å; F11-W50 VanDerWaalsContact CD1-CE2 3.41Å; F11-W50 HydrophobicContact CD1-CG 4.45Å; F11-W50 HydrophobicContact CD1-CH2 4.47Å; F11-W50 AromaticContact CD1-CZ2 3.65Å; F11-W50 HydrophobicContact CD1-CZ2 3.65Å; F11-W50 AromaticContact CD1-NE1 3.32Å; F11-W50 VanDerWaalsContact CD1-NE1 3.32Å; F11-W50 AromaticContact CE1-CD1 3.65Å; F11-W50 HydrophobicContact CE1-CD2 4.16Å; F11-W50 AromaticContact CE1-CE2 3.84Å; F11-W50 HydrophobicContact CE1-CG 4.07Å; F11-W50 HydrophobicContact CE1-CZ2 4.48Å; F11-W50 AromaticContact CE1-NE1 3.47Å; L20-W50 HydrophobicContact CD2-CH2 3.87Å; L20-W50 HydrophobicContact CD2-CZ2 4.29Å; W50-P52 WeakPolarHBondContact O-CD 3.18Å; W50-C56 HydrophobicContact CE3-CB 4.34Å; W50-C56 WeakPolarHBondContact CZ3-O 3.43Å; W50-V59 HydrophobicContact CD2-CG1 3.66Å; W50-V59 HydrophobicContact CE3-CG1 3.32Å; W50-V59 HydrophobicContact CG-CG1 4.35Å; W50-V59 HydrophobicContact CH2-CG1 4.03Å; W50-V59 HydrophobicContact CZ2-CG1 4.34Å; W50-V59 HydrophobicContact CZ3-CG1 3.52Å; W50-I72 HydrophobicContact CH2-CD1 3.86Å; W50-I72 HydrophobicContact CH2-CG2 4.11Å; W50-I72 HydrophobicContact CZ3-CD1 3.76Å; W50-I72 HydrophobicContact CZ3-CG1 4.3Å; W50-I72 HydrophobicContact CZ3-CG2 3.84Å; W50-F94 VanDerWaalsContact O-CD2 3.28Å; W50-F94 WeakPolarHBondContact O-CD2 3.26Å |
| 51 | D | 93.2 | Very high | 83.4 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | trans | -79.4 | 114.9 | 169.4 | -173.5 | -29 | 0 | 0 | 0 | 109.2 | H53 H54 C56 A58 F94 | D51-H53 VanDerWaalsContact C-N 3.25Å; D51-H53 PolarHBondContact O-N 2.69Å; D51-H53 WeakPolarHBondContact OD1-CB 3.32Å; D51-H53 IonicContact OD1-CD2 3.84Å; D51-H53 PolarHBondContact OD1-N 2.88Å; D51-H54 IonicContact OD1-ND1 3.55Å; D51-H54 PolarHBondContact OD1-ND1 3.44Å; D51-H54 IonicContact OD2-CE1 3.42Å; D51-H54 PolarHBondContact OD2-CE1 2.88Å; D51-H54 IonicContact OD2-CG 2.73Å; D51-H54 IonicContact OD2-ND1 3.43Å; D51-H54 PolarHBondContact OD2-ND1 3.03Å; D51-C56 WeakPolarHBondContact O-CA 3.44Å; D51-A58 HydrophobicContact CB-CB 4.07Å; D51-A58 PolarHBondContact N-O 2.78Å; D51-F94 HydrophobicContact CB-CD2 4.41Å; D51-F94 HydrophobicContact CB-CE1 4.24Å; D51-F94 HydrophobicContact CB-CE2 3.91Å; D51-F94 HydrophobicContact CB-CZ 3.8Å | ||
| 52 | P | 91.7 | Very high | 85.8 | Confident | 52 Ų | 52 | 37.4 Ų | 37.4 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -18.7 | -176.6 | 30 | -34 | 0 | 0 | 0 | 113.2 | W50 F94 | W50-P52 WeakPolarHBondContact O-CD 3.18Å; P52-F94 HydrophobicContact CG-CB 4.14Å |
| 53 | H | 91 | Very high | 87.9 | Confident | 54 Ų | 54 | 30.9 Ų | 30.9 | 25% | 0.25 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -19 | -170.9 | -64.3 | -72.4 | 0 | 0 | 0 | 114.1 | D51 N95 P96 R98 P99 | D51-H53 VanDerWaalsContact C-N 3.25Å; D51-H53 PolarHBondContact O-N 2.69Å; D51-H53 WeakPolarHBondContact OD1-CB 3.32Å; D51-H53 IonicContact OD1-CD2 3.84Å; D51-H53 PolarHBondContact OD1-N 2.88Å; H53-N95 PolarHBondContact NE2-O 3.49Å; H53-P96 PolarHBondContact CE1-O 3.13Å; H53-R98 PolarHBondContact NE2-O 3.25Å; H53-P99 HydrophobicContact CB-CB 4.07Å; H53-P99 HydrophobicContact CB-CG 4.25Å |
| 54 | H | 84 | Confident | 89.5 | Confident | 61 Ų | 61 | 31.1 Ų | 31.1 | 28% | 0.282 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 48.1 | -176 | -65.8 | 97 | 0 | 0 | 0 | 112.3 | D51 C56 S57 A58 Y100 | D51-H54 IonicContact OD1-ND1 3.55Å; D51-H54 PolarHBondContact OD1-ND1 3.44Å; D51-H54 IonicContact OD2-CE1 3.42Å; D51-H54 PolarHBondContact OD2-CE1 2.88Å; D51-H54 IonicContact OD2-CG 2.73Å; D51-H54 IonicContact OD2-ND1 3.43Å; D51-H54 PolarHBondContact OD2-ND1 3.03Å; H54-C56 PolarHBondContact O-N 3.13Å; H54-S57 PolarHBondContact O-N 3.39Å; H54-S57 PolarHBondContact O-OG 3.19Å; H54-S57 VanDerWaalsContact O-OG 3.04Å; H54-A58 HydrophobicContact CB-CB 4.49Å; H54-Y100 AromaticContact CE1-CD1 3.83Å; H54-Y100 AromaticContact CE1-CE1 3.29Å; H54-Y100 WeakPolarHBondContact CE1-CE1 3.41Å; H54-Y100 AromaticContact CE1-CZ 3.94Å; H54-Y100 AromaticContact NE2-CE1 3.26Å; H54-Y100 VanDerWaalsContact NE2-CE1 3.26Å; H54-Y100 WeakPolarHBondContact NE2-CE1 3.18Å; H54-Y100 AromaticContact NE2-CZ 3.64Å; H54-Y100 PolarHBondContact NE2-OH 2.76Å |
| 55 | N | 80.1 | Confident | 90.3 | Very high | 129 Ų | 129 | 25 Ų | 25 | 69% | 0.69 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 32.1 | -174.5 | -68 | -7.1 | 0 | 0 | 0 | 113.2 | Q5 S57 | Q5-N55 PolarHBondContact OE1-O 2.96Å; Q5-N55 VanDerWaalsContact OE1-O 3.13Å; N55-S57 PolarHBondContact O-N 2.78Å |
| 56 | C | 74.1 | Confident | 90.6 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 33.4 | -174 | -59.5 | 0 | 0 | 0 | 0 | 114 | N3 P4 Q5 W50 D51 H54 A58 | N3-C56 PolarHBondContact ND2-O 3.04Å; N3-C56 VanDerWaalsContact ND2-O 3.13Å; N3-C56 WeakPolarHBondContact OD1-CB 3.49Å; P4-C56 WeakPolarHBondContact CG-SG 3.47Å; Q5-C56 HydrophobicContact CB-CB 4.28Å; Q5-C56 HydrophobicContact CG-CB 4.31Å; W50-C56 HydrophobicContact CE3-CB 4.34Å; W50-C56 WeakPolarHBondContact CZ3-O 3.43Å; D51-C56 WeakPolarHBondContact O-CA 3.44Å; H54-C56 PolarHBondContact O-N 3.13Å; C56-A58 VanDerWaalsContact C-N 3.34Å |
| 57 | S | 85.1 | Confident | 90.8 | Very high | 14 Ų | 14 | 22.3 Ų | 22.3 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | trans | -94.4 | 6.2 | 174.5 | 78.1 | 0 | 0 | 0 | 0 | 112.7 | H54 N55 D71 I72 R73 | H54-S57 PolarHBondContact O-N 3.39Å; H54-S57 PolarHBondContact O-OG 3.19Å; H54-S57 VanDerWaalsContact O-OG 3.04Å; N55-S57 PolarHBondContact O-N 2.78Å; S57-D71 WeakPolarHBondContact O-CA 3.45Å; S57-I72 WeakPolarHBondContact O-CG1 3.38Å; S57-I72 PolarHBondContact O-N 2.94Å; S57-R73 PolarHBondContact OG-NH2 2.94Å | ||
| 58 | A | 90.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D51 H54 C56 W70 | D51-A58 HydrophobicContact CB-CB 4.07Å; D51-A58 PolarHBondContact N-O 2.78Å; H54-A58 HydrophobicContact CB-CB 4.49Å; C56-A58 VanDerWaalsContact C-N 3.34Å; A58-W70 CarbonylContact C-O 3.37Å; A58-W70 WeakPolarHBondContact CA-O 3.3Å |
| 59 | V | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.2 | 173.4 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | F11 L18 R49 W50 V61 G69 W70 I72 | F11-V59 HydrophobicContact CD1-CG1 3.79Å; F11-V59 HydrophobicContact CE1-CB 4.39Å; F11-V59 HydrophobicContact CE1-CG1 3.78Å; L18-V59 HydrophobicContact CD1-CG2 4.25Å; L18-V59 HydrophobicContact CD2-CG2 3.57Å; R49-V59 CarbonylContact O-C 3.58Å; R49-V59 VanDerWaalsContact O-CA 3.24Å; R49-V59 WeakPolarHBondContact O-CA 3.44Å; W50-V59 HydrophobicContact CD2-CG1 3.66Å; W50-V59 HydrophobicContact CE3-CG1 3.32Å; W50-V59 HydrophobicContact CG-CG1 4.35Å; W50-V59 HydrophobicContact CH2-CG1 4.03Å; W50-V59 HydrophobicContact CZ2-CG1 4.34Å; W50-V59 HydrophobicContact CZ3-CG1 3.52Å; V59-V61 HydrophobicContact CG2-CG2 4.18Å; V59-G69 CarbonylContact O-C 3.52Å; V59-G69 WeakPolarHBondContact O-CA 3.24Å; V59-W70 HydrophobicContact CG2-CB 3.97Å; V59-W70 PolarHBondContact N-O 3.01Å; V59-W70 PolarHBondContact O-N 3.27Å; V59-I72 HydrophobicContact CG1-CG2 4.15Å; V59-I72 HydrophobicContact CG2-CG2 4.32Å |
| 60 | A | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 140.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G48 R49 V67 S68 Y79 L92 F94 | G48-A60 CarbonylContact C-O 3.5Å; G48-A60 WeakPolarHBondContact CA-O 3.5Å; R49-A60 PolarHBondContact N-O 3.49Å; R49-A60 PolarHBondContact O-N 2.53Å; A60-V67 HydrophobicContact CB-CG1 4.3Å; A60-S68 CarbonylContact C-O 3.52Å; A60-S68 WeakPolarHBondContact CA-O 3.32Å; A60-Y79 WeakPolarHBondContact CB-OH 3.24Å; A60-L92 HydrophobicContact CB-CD1 3.55Å; A60-L92 HydrophobicContact CB-CD2 4.36Å; A60-F94 HydrophobicContact CB-CE2 3.63Å; A60-F94 HydrophobicContact CB-CZ 3.58Å |
| 61 | V | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127 | 179 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | L13 L18 V35 L45 A47 V59 V67 S68 | L13-V61 HydrophobicContact CD2-CG1 4.07Å; L13-V61 HydrophobicContact CD2-CG2 4.31Å; L18-V61 HydrophobicContact CD1-CG2 4.34Å; V35-V61 HydrophobicContact CG2-CG1 4.45Å; L45-V61 HydrophobicContact CB-CG1 4.31Å; L45-V61 HydrophobicContact CD1-CG1 4.04Å; L45-V61 HydrophobicContact CD2-CG1 3.74Å; L45-V61 HydrophobicContact CG-CG1 4.23Å; A47-V61 WeakPolarHBondContact O-CA 3.35Å; V59-V61 HydrophobicContact CG2-CG2 4.18Å; V61-V67 WeakPolarHBondContact O-CA 3.47Å; V61-S68 PolarHBondContact N-O 2.87Å; V61-S68 PolarHBondContact O-N 3.08Å; V61-S68 PolarHBondContact O-OG 2.79Å |
| 62 | A | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 130.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L45 T46 A47 V67 V89 L92 | L45-A62 WeakPolarHBondContact CA-O 3.46Å; T46-A62 PolarHBondContact N-O 3.37Å; T46-A62 VanDerWaalsContact N-O 3.17Å; T46-A62 WeakPolarHBondContact OG1-CB 3.44Å; A47-A62 HydrophobicContact CB-CB 4.16Å; A47-A62 PolarHBondContact O-N 2.81Å; A62-V67 HydrophobicContact CB-CG2 4.45Å; A62-V89 HydrophobicContact CB-CB 3.76Å; A62-V89 HydrophobicContact CB-CG1 3.75Å; A62-L92 HydrophobicContact CB-CD2 3.78Å |
| 63 | S | 91.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 8% | 0.077 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 111.1 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 109.8 | I37 N65 S66 | I37-S63 VanDerWaalsContact CG1-OG 3.27Å; I37-S63 WeakPolarHBondContact CG1-OG 3.49Å; S63-N65 PolarHBondContact O-N 2.87Å; S63-N65 VanDerWaalsContact O-N 3.09Å; S63-S66 PolarHBondContact N-O 2.58Å; S63-S66 PolarHBondContact O-N 3.45Å |
| 64 | G | 90.4 | Very high | 89.7 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -118.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G88 V89 | G64-G88 CarbonylContact O-C 3.55Å; G64-G88 VanDerWaalsContact O-CA 3.26Å; G64-G88 WeakPolarHBondContact O-CA 3.07Å; G64-V89 PolarHBondContact O-N 2.82Å |
| 65 | N | 93.3 | Very high | 89.7 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 21% | 0.214 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4.7 | -177.3 | -72.7 | 12.6 | 0 | 0 | 0 | 114.3 | S63 N83 S84 H85 I86 G88 | S63-N65 PolarHBondContact O-N 2.87Å; S63-N65 VanDerWaalsContact O-N 3.09Å; N65-N83 CarbonylContact O-C 3.55Å; N65-N83 WeakPolarHBondContact O-CA 3.19Å; N65-S84 PolarHBondContact O-N 2.94Å; N65-S84 PolarHBondContact O-OG 3.42Å; N65-S84 VanDerWaalsContact O-OG 3.1Å; N65-H85 VanDerWaalsContact CB-O 3.22Å; N65-H85 WeakPolarHBondContact CB-O 3.47Å; N65-H85 VanDerWaalsContact CG-O 3.28Å; N65-H85 PolarHBondContact ND2-O 3.48Å; N65-H85 PolarHBondContact O-N 3.3Å; N65-I86 PolarHBondContact ND2-O 2.9Å; N65-G88 WeakPolarHBondContact OD1-CA 3.44Å; N65-G88 PolarHBondContact OD1-N 2.97Å |
| 66 | S | 94.5 | Very high | 90.1 | Very high | 16 Ų | 16 | 27.3 Ų | 27.3 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.4 | -170.7 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | S63 I81 N83 | S63-S66 PolarHBondContact N-O 2.58Å; S63-S66 PolarHBondContact O-N 3.45Å; S66-I81 VanDerWaalsContact CA-O 3.29Å; S66-I81 WeakPolarHBondContact CA-O 3.19Å; S66-I81 VanDerWaalsContact CB-O 3.3Å; S66-I81 WeakPolarHBondContact CB-O 3.48Å; S66-N83 PolarHBondContact OG-N 3.13Å |
| 67 | V | 95.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.5 | 171.4 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | A60 V61 A62 I81 V89 L92 L102 T104 | A60-V67 HydrophobicContact CB-CG1 4.3Å; V61-V67 WeakPolarHBondContact O-CA 3.47Å; A62-V67 HydrophobicContact CB-CG2 4.45Å; V67-I81 HydrophobicContact CB-CB 4.39Å; V67-I81 HydrophobicContact CB-CD1 4.32Å; V67-I81 PolarHBondContact N-O 2.78Å; V67-I81 PolarHBondContact O-N 3.26Å; V67-V89 HydrophobicContact CG2-CB 4.4Å; V67-V89 HydrophobicContact CG2-CG1 3.95Å; V67-V89 HydrophobicContact CG2-CG2 3.97Å; V67-L92 HydrophobicContact CG1-CD2 4.11Å; V67-L102 HydrophobicContact CG1-CD2 3.93Å; V67-T104 HydrophobicContact CG2-CG2 3.89Å |
| 68 | S | 94.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140 | 179.2 | 57 | 0 | 0 | 0 | 0 | 110.7 | A60 V61 W70 Y79 | A60-S68 CarbonylContact C-O 3.52Å; A60-S68 WeakPolarHBondContact CA-O 3.32Å; V61-S68 PolarHBondContact N-O 2.87Å; V61-S68 PolarHBondContact O-N 3.08Å; V61-S68 PolarHBondContact O-OG 2.79Å; S68-W70 PolarHBondContact OG-NE1 3.13Å; S68-Y79 WeakPolarHBondContact CA-O 3.28Å |
| 69 | G | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 142.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V59 Q77 T78 Y79 | V59-G69 CarbonylContact O-C 3.52Å; V59-G69 WeakPolarHBondContact O-CA 3.24Å; G69-Q77 CarbonylContact O-C 3.18Å; G69-Q77 VanDerWaalsContact O-CA 3.24Å; G69-Q77 WeakPolarHBondContact O-CA 3.37Å; G69-Q77 WeakPolarHBondContact O-CG 3.3Å; G69-T78 VanDerWaalsContact C-OG1 3.22Å; G69-T78 PolarHBondContact O-N 3.4Å; G69-T78 PolarHBondContact O-OG1 3.18Å; G69-Y79 VanDerWaalsContact CA-CZ 3.44Å; G69-Y79 PolarHBondContact N-O 2.97Å |
| 70 | W | 92.2 | Very high | 91.6 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 129.9 | -178.7 | -64.5 | 80.6 | 0 | 0 | 0 | 110.5 | L18 N33 V35 A58 V59 S68 S76 Q77 | L18-W70 HydrophobicContact CD2-CB 4.46Å; N33-W70 VanDerWaalsContact ND2-CE3 3.29Å; N33-W70 VanDerWaalsContact ND2-CZ3 3.3Å; N33-W70 WeakPolarHBondContact ND2-CZ3 3.41Å; V35-W70 HydrophobicContact CB-CZ2 4.2Å; V35-W70 HydrophobicContact CG1-CZ2 3.93Å; V35-W70 HydrophobicContact CG2-CZ2 4.13Å; A58-W70 CarbonylContact C-O 3.37Å; A58-W70 WeakPolarHBondContact CA-O 3.3Å; V59-W70 HydrophobicContact CG2-CB 3.97Å; V59-W70 PolarHBondContact N-O 3.01Å; V59-W70 PolarHBondContact O-N 3.27Å; S68-W70 PolarHBondContact OG-NE1 3.13Å; W70-S76 WeakPolarHBondContact CA-O 3.22Å; W70-Q77 HydrophobicContact CD2-CB 4.24Å; W70-Q77 HydrophobicContact CE3-CB 4.16Å; W70-Q77 HydrophobicContact CH2-CB 4.09Å; W70-Q77 HydrophobicContact CZ2-CB 4.13Å; W70-Q77 HydrophobicContact CZ2-CG 4.26Å; W70-Q77 HydrophobicContact CZ3-CB 4.1Å |
| 71 | D | 89.9 | Confident | 91.7 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124 | 167 | -174.9 | -49.7 | 0 | 0 | 0 | 108.4 | S57 R73 S74 L75 S76 T78 | S57-D71 WeakPolarHBondContact O-CA 3.45Å; D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.29Å; D71-R73 WeakPolarHBondContact OD1-CA 3.32Å; D71-R73 VanDerWaalsContact OD1-CB 3.25Å; D71-R73 WeakPolarHBondContact OD1-CB 3.45Å; D71-R73 PolarHBondContact OD1-N 3.02Å; D71-R73 IonicContact OD1-NE 3.26Å; D71-R73 PolarHBondContact OD1-NE 2.85Å; D71-R73 IonicContact OD2-CZ 2.78Å; D71-R73 IonicContact OD2-NE 3.86Å; D71-R73 PolarHBondContact OD2-NE 2.87Å; D71-R73 IonicContact OD2-NH2 3.44Å; D71-R73 PolarHBondContact OD2-NH2 2.95Å; D71-S74 WeakPolarHBondContact CB-OG 3.48Å; D71-S74 PolarHBondContact OD1-N 3.12Å; D71-L75 WeakPolarHBondContact O-CA 3.33Å; D71-L75 PolarHBondContact O-N 3.28Å; D71-S76 PolarHBondContact N-O 3.05Å; D71-S76 PolarHBondContact O-N 3.31Å; D71-T78 HydrophobicContact CB-CG2 3.87Å |
| 72 | I | 86.4 | Confident | 91.6 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 18% | 0.179 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -18.7 | -174.7 | 62.2 | 155.1 | 0 | 0 | 0 | 113.3 | L20 W50 S57 V59 L75 | L20-I72 HydrophobicContact CD1-CB 3.8Å; L20-I72 HydrophobicContact CD1-CG2 3.93Å; L20-I72 HydrophobicContact CD2-CB 4.49Å; L20-I72 HydrophobicContact CD2-CG2 4Å; W50-I72 HydrophobicContact CH2-CD1 3.86Å; W50-I72 HydrophobicContact CH2-CG2 4.11Å; W50-I72 HydrophobicContact CZ3-CD1 3.76Å; W50-I72 HydrophobicContact CZ3-CG1 4.3Å; W50-I72 HydrophobicContact CZ3-CG2 3.84Å; S57-I72 WeakPolarHBondContact O-CG1 3.38Å; S57-I72 PolarHBondContact O-N 2.94Å; V59-I72 HydrophobicContact CG1-CG2 4.15Å; V59-I72 HydrophobicContact CG2-CG2 4.32Å; I72-L75 WeakPolarHBondContact O-CD2 3.33Å |
| 73 | R | 84.5 | Confident | 91.5 | Very high | 185 Ų | 185 | 48 Ų | 48 | 70% | 0.698 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -41.4 | -177.3 | -56 | 169.9 | -66.5 | -177.5 | -1.5 | 110.7 | S57 D71 | S57-R73 PolarHBondContact OG-NH2 2.94Å; D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.29Å; D71-R73 WeakPolarHBondContact OD1-CA 3.32Å; D71-R73 VanDerWaalsContact OD1-CB 3.25Å; D71-R73 WeakPolarHBondContact OD1-CB 3.45Å; D71-R73 PolarHBondContact OD1-N 3.02Å; D71-R73 IonicContact OD1-NE 3.26Å; D71-R73 PolarHBondContact OD1-NE 2.85Å; D71-R73 IonicContact OD2-CZ 2.78Å; D71-R73 IonicContact OD2-NE 3.86Å; D71-R73 PolarHBondContact OD2-NE 2.87Å; D71-R73 IonicContact OD2-NH2 3.44Å; D71-R73 PolarHBondContact OD2-NH2 2.95Å |
| 74 | S | 86.2 | Confident | 91.7 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.3 | 176.1 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | D71 S76 | D71-S74 WeakPolarHBondContact CB-OG 3.48Å; D71-S74 PolarHBondContact OD1-N 3.12Å; S74-S76 PolarHBondContact O-N 2.96Å; S74-S76 PolarHBondContact OG-N 3.39Å; S74-S76 PolarHBondContact OG-OG 3.14Å |
| 75 | L | 84 | Confident | 92 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 30.1 | -172 | -60.7 | 176.2 | 0 | 0 | 0 | 112.5 | L20 A31 N33 D71 I72 | L20-L75 HydrophobicContact CD1-CD2 3.98Å; A31-L75 HydrophobicContact CB-CD1 3.97Å; A31-L75 HydrophobicContact CB-CD2 4.06Å; N33-L75 HydrophobicContact CB-CD2 4.42Å; N33-L75 PolarHBondContact ND2-O 3.4Å; D71-L75 WeakPolarHBondContact O-CA 3.33Å; D71-L75 PolarHBondContact O-N 3.28Å; I72-L75 WeakPolarHBondContact O-CD2 3.33Å |
| 76 | S | 88.3 | Confident | 92 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.1 | -178.2 | 65 | 0 | 0 | 0 | 0 | 111.2 | W70 D71 S74 T78 | W70-S76 WeakPolarHBondContact CA-O 3.22Å; D71-S76 PolarHBondContact N-O 3.05Å; D71-S76 PolarHBondContact O-N 3.31Å; S74-S76 PolarHBondContact O-N 2.96Å; S74-S76 PolarHBondContact OG-N 3.39Å; S74-S76 PolarHBondContact OG-OG 3.14Å; S76-T78 PolarHBondContact O-N 2.99Å |
| 77 | Q | 91 | Very high | 91.9 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 128.9 | 170.9 | -167.2 | -175 | -68.6 | 0 | 0 | 110.2 | G69 W70 Y79 | G69-Q77 CarbonylContact O-C 3.18Å; G69-Q77 VanDerWaalsContact O-CA 3.24Å; G69-Q77 WeakPolarHBondContact O-CA 3.37Å; G69-Q77 WeakPolarHBondContact O-CG 3.3Å; W70-Q77 HydrophobicContact CD2-CB 4.24Å; W70-Q77 HydrophobicContact CE3-CB 4.16Å; W70-Q77 HydrophobicContact CH2-CB 4.09Å; W70-Q77 HydrophobicContact CZ2-CB 4.13Å; W70-Q77 HydrophobicContact CZ2-CG 4.26Å; W70-Q77 HydrophobicContact CZ3-CB 4.1Å; Q77-Y79 WeakPolarHBondContact CG-O 3.4Å |
| 78 | T | 93.2 | Very high | 91.8 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -35.2 | -179.4 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | G69 D71 S76 | G69-T78 VanDerWaalsContact C-OG1 3.22Å; G69-T78 PolarHBondContact O-N 3.4Å; G69-T78 PolarHBondContact O-OG1 3.18Å; D71-T78 HydrophobicContact CB-CG2 3.87Å; S76-T78 PolarHBondContact O-N 2.99Å |
| 79 | Y | 94.7 | Very high | 91.9 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 11% | 0.114 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 162.5 | 176 | 62.7 | -98.6 | 0 | 0 | 0 | 111.3 | A60 S68 G69 Q77 I81 T116 T119 | A60-Y79 WeakPolarHBondContact CB-OH 3.24Å; S68-Y79 WeakPolarHBondContact CA-O 3.28Å; G69-Y79 VanDerWaalsContact CA-CZ 3.44Å; G69-Y79 PolarHBondContact N-O 2.97Å; Q77-Y79 WeakPolarHBondContact CG-O 3.4Å; Y79-I81 HydrophobicContact CD2-CG1 4.33Å; Y79-I81 HydrophobicContact CE2-CD1 4.36Å; Y79-T116 HydrophobicContact CD1-CG2 4.38Å; Y79-T116 HydrophobicContact CD2-CG2 4.43Å; Y79-T116 HydrophobicContact CE1-CG2 3.77Å; Y79-T116 HydrophobicContact CE2-CG2 3.84Å; Y79-T116 VanDerWaalsContact CZ-CG2 3.46Å; Y79-T119 HydrophobicContact CD2-CG2 4.24Å; Y79-T119 HydrophobicContact CG-CG2 4.49Å |
| 80 | C | 95.1 | Very high | 92 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 126.8 | 171.2 | -169.4 | 0 | 0 | 0 | 0 | 109.5 | T119 | C80-T119 WeakPolarHBondContact O-CB 3.11Å; C80-T119 PolarHBondContact O-OG1 2.92Å |
| 81 | I | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 97.3 | 168 | -53.7 | 166.6 | 0 | 0 | 0 | 106 | S66 V67 Y79 L102 W114 T119 | S66-I81 VanDerWaalsContact CA-O 3.29Å; S66-I81 WeakPolarHBondContact CA-O 3.19Å; S66-I81 VanDerWaalsContact CB-O 3.3Å; S66-I81 WeakPolarHBondContact CB-O 3.48Å; V67-I81 HydrophobicContact CB-CB 4.39Å; V67-I81 HydrophobicContact CB-CD1 4.32Å; V67-I81 PolarHBondContact N-O 2.78Å; V67-I81 PolarHBondContact O-N 3.26Å; Y79-I81 HydrophobicContact CD2-CG1 4.33Å; Y79-I81 HydrophobicContact CE2-CD1 4.36Å; I81-L102 HydrophobicContact CD1-CD2 4.05Å; I81-W114 HydrophobicContact CD1-CB 3.73Å; I81-W114 HydrophobicContact CD1-CD2 4.15Å; I81-W114 HydrophobicContact CD1-CG 3.76Å; I81-W114 HydrophobicContact CG2-CD2 3.69Å; I81-W114 HydrophobicContact CG2-CE3 3.45Å; I81-W114 VanDerWaalsContact CG2-CE3 3.45Å; I81-W114 HydrophobicContact CG2-CG 4.43Å; I81-W114 HydrophobicContact CG2-CH2 3.86Å; I81-W114 HydrophobicContact CG2-CZ2 4.1Å; I81-W114 HydrophobicContact CG2-CZ3 3.53Å; I81-T119 HydrophobicContact CG1-CG2 3.61Å |
| 82 | E | 93.6 | Very high | 92.6 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 59% | 0.589 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 135.1 | -179.5 | -63.2 | -172.5 | 158 | 0 | 0 | 110.7 | S84 | E82-S84 VanDerWaalsContact C-N 3.27Å; E82-S84 PolarHBondContact O-N 3.43Å |
| 83 | N | 93.5 | Very high | 93.2 | Very high | 107 Ų | 107 | 56 Ų | 56 | 57% | 0.572 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 43.6 | 178.3 | -53.9 | -59.3 | 0 | 0 | 0 | 112.9 | N65 S66 H85 | N65-N83 CarbonylContact O-C 3.55Å; N65-N83 WeakPolarHBondContact O-CA 3.19Å; S66-N83 PolarHBondContact OG-N 3.13Å; N83-H85 PolarHBondContact O-N 2.94Å |
| 84 | S | 94.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -60.4 | -33.9 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | N65 E82 V89 W114 | N65-S84 PolarHBondContact O-N 2.94Å; N65-S84 PolarHBondContact O-OG 3.42Å; N65-S84 VanDerWaalsContact O-OG 3.1Å; E82-S84 VanDerWaalsContact C-N 3.27Å; E82-S84 PolarHBondContact O-N 3.43Å; S84-V89 WeakPolarHBondContact OG-CG2 3.44Å; S84-W114 VanDerWaalsContact CA-CZ2 3.47Å; S84-W114 VanDerWaalsContact CB-CZ2 3.48Å; S84-W114 WeakPolarHBondContact O-CZ2 3.46Å |
| 85 | H | 95.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | trans | -130.4 | 148.6 | 175 | -74 | -93.4 | 0 | 0 | 0 | 110.8 | N65 N83 V89 T104 G106 D108 Q110 | N65-H85 VanDerWaalsContact CB-O 3.22Å; N65-H85 WeakPolarHBondContact CB-O 3.47Å; N65-H85 VanDerWaalsContact CG-O 3.28Å; N65-H85 PolarHBondContact ND2-O 3.48Å; N65-H85 PolarHBondContact O-N 3.3Å; N83-H85 PolarHBondContact O-N 2.94Å; H85-V89 HydrophobicContact CB-CG2 4.24Å; H85-T104 PolarHBondContact CD2-OG1 2.86Å; H85-T104 WeakPolarHBondContact NE2-CB 3.45Å; H85-T104 PolarHBondContact NE2-O 3.3Å; H85-T104 PolarHBondContact NE2-OG1 2.85Å; H85-G106 PolarHBondContact CE1-N 2.91Å; H85-D108 VanDerWaalsContact CA-OD2 3.29Å; H85-D108 WeakPolarHBondContact CA-OD2 3.21Å; H85-D108 VanDerWaalsContact CB-OD2 3.31Å; H85-D108 WeakPolarHBondContact CB-OD2 3.36Å; H85-D108 IonicContact CE1-OD1 3.77Å; H85-D108 IonicContact CG-OD1 3.99Å; H85-D108 IonicContact CG-OD2 2.79Å; H85-D108 VanDerWaalsContact ND1-CG 3.35Å; H85-D108 IonicContact ND1-OD1 3.72Å; H85-D108 PolarHBondContact ND1-OD1 3.03Å; H85-D108 IonicContact ND1-OD2 3.6Å; H85-D108 PolarHBondContact ND1-OD2 3.31Å; H85-Q110 PolarHBondContact CE1-O 3.2Å; H85-Q110 VanDerWaalsContact CE1-O 3.29Å | ||
| 86 | I | 94.1 | Very high | 94.8 | Very high | 127 Ų | 127 | 42.9 Ų | 42.9 | 65% | 0.651 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -74.9 | -34.3 | -179.7 | -56 | 171.7 | 0 | 0 | 0 | 110.2 | N65 D108 | N65-I86 PolarHBondContact ND2-O 2.9Å; I86-D108 HydrophobicContact CB-CB 4.28Å; I86-D108 PolarHBondContact N-OD2 2.91Å |
| 87 | M | 92.9 | Very high | 95.1 | Very high | 108 Ų | 108 | 43.7 Ų | 43.7 | 53% | 0.532 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -128.7 | 74.8 | -178.3 | -64 | -177.7 | 61.1 | 0 | 0 | 110 | F107 D108 | M87-F107 HydrophobicContact CB-CB 4.16Å; M87-F107 VanDerWaalsContact O-CA 3.31Å; M87-F107 WeakPolarHBondContact O-CA 3.39Å; M87-F107 WeakPolarHBondContact O-CB 3.43Å; M87-F107 WeakPolarHBondContact O-CD2 3.48Å; M87-F107 PolarHBondContact O-N 2.77Å; M87-D108 HydrophobicContact CB-CB 4.08Å; M87-D108 HydrophobicContact CG-CB 4.46Å |
| 88 | G | 93.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | trans | 64.8 | 128 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G64 N65 G106 F107 | G64-G88 CarbonylContact O-C 3.55Å; G64-G88 VanDerWaalsContact O-CA 3.26Å; G64-G88 WeakPolarHBondContact O-CA 3.07Å; N65-G88 WeakPolarHBondContact OD1-CA 3.44Å; N65-G88 PolarHBondContact OD1-N 2.97Å; G88-G106 CarbonylContact O-C 3.57Å; G88-G106 WeakPolarHBondContact O-CA 3.47Å; G88-F107 PolarHBondContact O-N 2.89Å; G88-F107 VanDerWaalsContact O-N 3.08Å | ||
| 89 | V | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 129.3 | 168.8 | -166.1 | 0 | 0 | 0 | 0 | 108.1 | T46 A62 G64 V67 S84 H85 | T46-V89 VanDerWaalsContact CB-O 3.29Å; T46-V89 WeakPolarHBondContact CB-O 3.16Å; T46-V89 PolarHBondContact OG1-O 3.43Å; A62-V89 HydrophobicContact CB-CB 3.76Å; A62-V89 HydrophobicContact CB-CG1 3.75Å; G64-V89 PolarHBondContact O-N 2.82Å; V67-V89 HydrophobicContact CG2-CB 4.4Å; V67-V89 HydrophobicContact CG2-CG1 3.95Å; V67-V89 HydrophobicContact CG2-CG2 3.97Å; S84-V89 WeakPolarHBondContact OG-CG2 3.44Å; H85-V89 HydrophobicContact CB-CG2 4.24Å |
| 90 | K | 96.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 22% | 0.222 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -31.9 | -177 | 175.1 | 57.5 | -157.2 | 61.3 | 0 | 112.8 | A105 F107 F134 | K90-A105 PolarHBondContact N-O 3.43Å; K90-F107 HydrophobicContact CB-CE1 4.14Å; K90-F107 HydrophobicContact CB-CE2 4.34Å; K90-F107 HydrophobicContact CB-CZ 4.06Å; K90-F107 HydrophobicContact CD-CE1 3.88Å; K90-F107 HydrophobicContact CD-CZ 3.67Å; K90-F107 HydrophobicContact CG-CE1 4Å; K90-F107 HydrophobicContact CG-CZ 4.11Å; K90-F134 HydrophobicContact CD-CD1 4.41Å; K90-F134 HydrophobicContact CG-CD1 4.15Å; K90-F134 PolarHBondContact NZ-O 2.8Å |
| 91 | D | 97.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 162.9 | 174.1 | -156.9 | 29.1 | 0 | 0 | 0 | 111.4 | R49 T104 A105 F134 M135 V136 | R49-D91 IonicContact CZ-OD1 2.68Å; R49-D91 IonicContact NH1-OD1 2.78Å; R49-D91 VanDerWaalsContact NH2-CG 3.32Å; R49-D91 IonicContact NH2-OD1 3.77Å; R49-D91 PolarHBondContact NH2-OD1 3.43Å; R49-D91 IonicContact NH2-OD2 3.41Å; R49-D91 PolarHBondContact NH2-OD2 2.8Å; D91-T104 WeakPolarHBondContact O-CA 3.2Å; D91-A105 PolarHBondContact N-O 2.82Å; D91-A105 VanDerWaalsContact N-O 3.12Å; D91-A105 PolarHBondContact O-N 2.79Å; D91-F134 WeakPolarHBondContact CB-O 3.31Å; D91-M135 WeakPolarHBondContact OD2-CA 3.27Å; D91-V136 PolarHBondContact OD2-N 2.8Å |
| 92 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154.9 | 175.2 | 64.8 | 98.1 | 0 | 0 | 0 | 109.5 | A47 R49 A60 A62 V67 L102 A103 T104 | A47-L92 HydrophobicContact CB-CD2 4.34Å; R49-L92 HydrophobicContact CB-CD1 3.56Å; R49-L92 HydrophobicContact CG-CD1 3.46Å; R49-L92 VanDerWaalsContact CG-CD1 3.46Å; R49-L92 HydrophobicContact CG-CG 4.15Å; R49-L92 WeakPolarHBondContact CG-O 3.35Å; R49-L92 PolarHBondContact NE-O 2.94Å; R49-L92 VanDerWaalsContact NE-O 3.08Å; A60-L92 HydrophobicContact CB-CD1 3.55Å; A60-L92 HydrophobicContact CB-CD2 4.36Å; A62-L92 HydrophobicContact CB-CD2 3.78Å; V67-L92 HydrophobicContact CG1-CD2 4.11Å; L92-L102 HydrophobicContact CB-CD1 4.33Å; L92-L102 HydrophobicContact CD1-CD1 3.81Å; L92-A103 CarbonylContact C-O 3.45Å; L92-A103 WeakPolarHBondContact CA-O 3.39Å; L92-T104 HydrophobicContact CB-CG2 4.07Å |
| 93 | D | 97.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 141.6 | 177.4 | -158.5 | 31.3 | 0 | 0 | 0 | 111.5 | R49 L102 A103 V136 K137 Y138 | R49-D93 IonicContact NE-OD1 3.76Å; D93-L102 WeakPolarHBondContact O-CD1 3.37Å; D93-A103 PolarHBondContact N-O 2.96Å; D93-A103 PolarHBondContact O-N 3Å; D93-V136 WeakPolarHBondContact CB-O 3.34Å; D93-K137 WeakPolarHBondContact OD2-CA 3.3Å; D93-Y138 HydrophobicContact CB-CD2 4.26Å; D93-Y138 PolarHBondContact OD2-N 3.2Å |
| 94 | F | 97.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 143.3 | 177.2 | -76.6 | -79.4 | 0 | 0 | 0 | 110.1 | R49 W50 D51 P52 A60 L102 T116 Y138 | R49-F94 HydrophobicContact CB-CD2 3.97Å; R49-F94 HydrophobicContact CB-CE2 4.12Å; W50-F94 VanDerWaalsContact O-CD2 3.28Å; W50-F94 WeakPolarHBondContact O-CD2 3.26Å; D51-F94 HydrophobicContact CB-CD2 4.41Å; D51-F94 HydrophobicContact CB-CE1 4.24Å; D51-F94 HydrophobicContact CB-CE2 3.91Å; D51-F94 HydrophobicContact CB-CZ 3.8Å; P52-F94 HydrophobicContact CG-CB 4.14Å; A60-F94 HydrophobicContact CB-CE2 3.63Å; A60-F94 HydrophobicContact CB-CZ 3.58Å; F94-L102 HydrophobicContact CD1-CB 4.42Å; F94-L102 HydrophobicContact CD1-CD1 3.76Å; F94-L102 HydrophobicContact CD2-CD1 4.11Å; F94-L102 HydrophobicContact CE1-CB 4.45Å; F94-L102 HydrophobicContact CE1-CD1 3.79Å; F94-L102 HydrophobicContact CE2-CD1 4.14Å; F94-L102 HydrophobicContact CG-CD1 3.94Å; F94-L102 HydrophobicContact CZ-CD1 4Å; F94-T116 HydrophobicContact CE1-CG2 4.4Å; F94-Y138 VanDerWaalsContact C-CD2 3.5Å; F94-Y138 WeakPolarHBondContact O-CD2 3.16Å |
| 95 | N | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -64.3 | 130.4 | 169.5 | -178 | -55 | 0 | 0 | 0 | 109 | H53 N97 R98 L101 Y138 D143 | H53-N95 PolarHBondContact NE2-O 3.49Å; N95-N97 VanDerWaalsContact C-N 3.34Å; N95-N97 PolarHBondContact O-N 2.92Å; N95-N97 WeakPolarHBondContact OD1-CA 3.37Å; N95-N97 PolarHBondContact OD1-N 3.17Å; N95-R98 HydrophobicContact CB-CB 4.26Å; N95-R98 PolarHBondContact OD1-N 3.28Å; N95-L101 HydrophobicContact CB-CB 3.86Å; N95-L101 HydrophobicContact CB-CD2 3.9Å; N95-L101 HydrophobicContact CB-CG 3.93Å; N95-L101 PolarHBondContact N-O 3.01Å; N95-L101 WeakPolarHBondContact ND2-CD2 3.2Å; N95-Y138 HydrophobicContact CB-CD1 4.41Å; N95-Y138 HydrophobicContact CB-CD2 4.32Å; N95-Y138 HydrophobicContact CB-CE1 4.07Å; N95-Y138 HydrophobicContact CB-CE2 3.97Å; N95-D143 WeakPolarHBondContact ND2-CB 3.38Å; N95-D143 PolarHBondContact ND2-OD2 3.47Å; N95-D143 WeakPolarHBondContact OD1-CB 3.35Å; N95-D143 PolarHBondContact OD1-OD2 3.3Å; N95-D143 VanDerWaalsContact OD1-OD2 3.12Å | ||
| 96 | P | 94.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 30.8 Ų | 30.8 | 27% | 0.266 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -73.2 | -23.1 | -176.6 | 27.8 | -34.6 | 0 | 0 | 0 | 114.1 | H53 N139 D143 | H53-P96 PolarHBondContact CE1-O 3.13Å; P96-N139 WeakPolarHBondContact CG-O 3.34Å; P96-D143 HydrophobicContact CG-CB 4.18Å |
| 97 | N | 94.3 | Very high | 96.3 | Very high | 71 Ų | 71 | 27.4 Ų | 27.4 | 38% | 0.38 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -107.8 | -28.7 | -173.9 | -62.3 | -17.8 | 0 | 0 | 0 | 112.8 | N95 V141 D143 | N95-N97 VanDerWaalsContact C-N 3.34Å; N95-N97 PolarHBondContact O-N 2.92Å; N95-N97 WeakPolarHBondContact OD1-CA 3.37Å; N95-N97 PolarHBondContact OD1-N 3.17Å; N97-V141 PolarHBondContact ND2-O 3.35Å; N97-D143 HydrophobicContact CB-CB 4.13Å |
| 98 | R | 94.3 | Very high | 96.5 | Very high | 48 Ų | 48 | 23.3 Ų | 23.3 | 18% | 0.181 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -106.4 | 113.8 | -179.4 | -71.3 | -151 | 179.7 | -153.8 | 7.7 | 112.3 | H53 N95 L101 L163 S164 L168 | H53-R98 PolarHBondContact NE2-O 3.25Å; N95-R98 HydrophobicContact CB-CB 4.26Å; N95-R98 PolarHBondContact OD1-N 3.28Å; R98-L101 HydrophobicContact CB-CB 4.14Å; R98-L101 HydrophobicContact CB-CD2 4.28Å; R98-L163 WeakPolarHBondContact CD-O 3.29Å; R98-L163 PolarHBondContact NE-O 3.04Å; R98-L163 VanDerWaalsContact NE-O 3.12Å; R98-S164 PolarHBondContact NE-O 2.86Å; R98-S164 PolarHBondContact NH2-O 3.24Å; R98-L168 VanDerWaalsContact CZ-CG 3.46Å; R98-L168 VanDerWaalsContact NH2-CG 3.32Å |
| 99 | P | 93.7 | Very high | 96.7 | Very high | 64 Ų | 64 | 24.3 Ų | 24.3 | 42% | 0.416 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 149.4 | 169.7 | -23.6 | 33.1 | 0 | 0 | 0 | 112.3 | H53 L101 | H53-P99 HydrophobicContact CB-CB 4.07Å; H53-P99 HydrophobicContact CB-CG 4.25Å; P99-L101 PolarHBondContact O-N 3.3Å |
| 100 | Y | 95 | Very high | 96.8 | Very high | 76 Ų | 76 | 26 Ų | 26 | 30% | 0.298 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -6.9 | 177.1 | -44.1 | -71.1 | 0 | 0 | 0 | 116.5 | H54 D115 T116 R117 | H54-Y100 AromaticContact CE1-CD1 3.83Å; H54-Y100 AromaticContact CE1-CE1 3.29Å; H54-Y100 WeakPolarHBondContact CE1-CE1 3.41Å; H54-Y100 AromaticContact CE1-CZ 3.94Å; H54-Y100 AromaticContact NE2-CE1 3.26Å; H54-Y100 VanDerWaalsContact NE2-CE1 3.26Å; H54-Y100 WeakPolarHBondContact NE2-CE1 3.18Å; H54-Y100 AromaticContact NE2-CZ 3.64Å; H54-Y100 PolarHBondContact NE2-OH 2.76Å; Y100-D115 WeakPolarHBondContact O-CA 3.42Å; Y100-T116 WeakPolarHBondContact CA-OG1 3.3Å; Y100-T116 WeakPolarHBondContact CB-OG1 3.29Å; Y100-T116 WeakPolarHBondContact CD1-OG1 3.48Å; Y100-T116 WeakPolarHBondContact O-CG2 3.41Å; Y100-T116 PolarHBondContact O-N 3.04Å; Y100-T116 PolarHBondContact O-OG1 2.9Å; Y100-R117 HydrophobicContact CD1-CG 3.65Å; Y100-R117 HydrophobicContact CD2-CG 4.3Å; Y100-R117 HydrophobicContact CE1-CG 4.12Å; Y100-R117 HydrophobicContact CG-CG 3.76Å |
| 101 | L | 97.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.052 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.4 | 178.4 | -178.5 | 59.8 | 0 | 0 | 0 | 110.9 | N95 R98 P99 F113 W114 L123 L163 | N95-L101 HydrophobicContact CB-CB 3.86Å; N95-L101 HydrophobicContact CB-CD2 3.9Å; N95-L101 HydrophobicContact CB-CG 3.93Å; N95-L101 PolarHBondContact N-O 3.01Å; N95-L101 WeakPolarHBondContact ND2-CD2 3.2Å; R98-L101 HydrophobicContact CB-CB 4.14Å; R98-L101 HydrophobicContact CB-CD2 4.28Å; P99-L101 PolarHBondContact O-N 3.3Å; L101-F113 HydrophobicContact CD1-CB 4.48Å; L101-W114 WeakPolarHBondContact CA-O 3.05Å; L101-L123 HydrophobicContact CD1-CD1 3.69Å; L101-L163 HydrophobicContact CD1-CD1 4.39Å; L101-L163 HydrophobicContact CD2-CB 3.94Å; L101-L163 WeakPolarHBondContact CD2-O 3.31Å |
| 102 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.3 | -179.2 | -177.1 | 75.2 | 0 | 0 | 0 | 110.4 | V67 I81 L92 D93 F94 T104 F113 W114 T116 | V67-L102 HydrophobicContact CG1-CD2 3.93Å; I81-L102 HydrophobicContact CD1-CD2 4.05Å; L92-L102 HydrophobicContact CB-CD1 4.33Å; L92-L102 HydrophobicContact CD1-CD1 3.81Å; D93-L102 WeakPolarHBondContact O-CD1 3.37Å; F94-L102 HydrophobicContact CD1-CB 4.42Å; F94-L102 HydrophobicContact CD1-CD1 3.76Å; F94-L102 HydrophobicContact CD2-CD1 4.11Å; F94-L102 HydrophobicContact CE1-CB 4.45Å; F94-L102 HydrophobicContact CE1-CD1 3.79Å; F94-L102 HydrophobicContact CE2-CD1 4.14Å; F94-L102 HydrophobicContact CG-CD1 3.94Å; F94-L102 HydrophobicContact CZ-CD1 4Å; L102-T104 HydrophobicContact CD2-CG2 3.91Å; L102-T104 HydrophobicContact CG-CG2 4.2Å; L102-F113 CarbonylContact O-C 3.58Å; L102-F113 WeakPolarHBondContact O-CA 3.49Å; L102-W114 PolarHBondContact N-O 2.87Å; L102-W114 PolarHBondContact O-N 2.8Å; L102-T116 HydrophobicContact CB-CG2 4.15Å |
| 103 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L92 D93 C112 F113 V136 Y138 L146 | L92-A103 CarbonylContact C-O 3.45Å; L92-A103 WeakPolarHBondContact CA-O 3.39Å; D93-A103 PolarHBondContact N-O 2.96Å; D93-A103 PolarHBondContact O-N 3Å; A103-C112 CarbonylContact C-O 3.12Å; A103-C112 WeakPolarHBondContact CA-O 3.5Å; A103-F113 HydrophobicContact CB-CD1 4.28Å; A103-F113 HydrophobicContact CB-CE1 4.2Å; A103-V136 HydrophobicContact CB-CG1 4.32Å; A103-V136 HydrophobicContact CB-CG2 4.02Å; A103-Y138 HydrophobicContact CB-CD2 4.37Å; A103-Y138 HydrophobicContact CB-CE2 3.51Å; A103-L146 HydrophobicContact CB-CD2 4.16Å |
| 104 | T | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.9 | 175.8 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | V67 H85 D91 L92 L102 I111 C112 W114 | V67-T104 HydrophobicContact CG2-CG2 3.89Å; H85-T104 PolarHBondContact CD2-OG1 2.86Å; H85-T104 WeakPolarHBondContact NE2-CB 3.45Å; H85-T104 PolarHBondContact NE2-O 3.3Å; H85-T104 PolarHBondContact NE2-OG1 2.85Å; D91-T104 WeakPolarHBondContact O-CA 3.2Å; L92-T104 HydrophobicContact CB-CG2 4.07Å; L102-T104 HydrophobicContact CD2-CG2 3.91Å; L102-T104 HydrophobicContact CG-CG2 4.2Å; T104-I111 CarbonylContact O-C 3.56Å; T104-I111 VanDerWaalsContact O-CA 3.25Å; T104-I111 WeakPolarHBondContact O-CA 3.08Å; T104-C112 PolarHBondContact N-O 2.88Å; T104-C112 PolarHBondContact O-N 2.88Å; T104-C112 PolarHBondContact OG1-O 3.44Å; T104-W114 PolarHBondContact OG1-NE1 2.9Å |
| 105 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | K90 D91 V133 V136 | K90-A105 PolarHBondContact N-O 3.43Å; D91-A105 PolarHBondContact N-O 2.82Å; D91-A105 VanDerWaalsContact N-O 3.12Å; D91-A105 PolarHBondContact O-N 2.79Å; A105-V133 HydrophobicContact CB-CB 3.98Å; A105-V133 HydrophobicContact CB-CG1 3.63Å; A105-V136 HydrophobicContact CB-CB 3.92Å; A105-V136 HydrophobicContact CB-CG1 3.71Å |
| 106 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H85 G88 D108 Q110 V133 | H85-G106 PolarHBondContact CE1-N 2.91Å; G88-G106 CarbonylContact O-C 3.57Å; G88-G106 WeakPolarHBondContact O-CA 3.47Å; G106-D108 PolarHBondContact O-N 2.88Å; G106-Q110 PolarHBondContact N-O 2.84Å; G106-V133 PolarHBondContact O-N 3.03Å; G106-V133 VanDerWaalsContact O-N 3.08Å |
| 107 | F | 97 | Very high | 96.9 | Very high | 56 Ų | 56 | 30.7 Ų | 30.7 | 25% | 0.246 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -1.6 | 175.1 | -48.9 | -73.7 | 0 | 0 | 0 | 112.9 | M87 G88 K90 C109 W132 F134 | M87-F107 HydrophobicContact CB-CB 4.16Å; M87-F107 VanDerWaalsContact O-CA 3.31Å; M87-F107 WeakPolarHBondContact O-CA 3.39Å; M87-F107 WeakPolarHBondContact O-CB 3.43Å; M87-F107 WeakPolarHBondContact O-CD2 3.48Å; M87-F107 PolarHBondContact O-N 2.77Å; G88-F107 PolarHBondContact O-N 2.89Å; G88-F107 VanDerWaalsContact O-N 3.08Å; K90-F107 HydrophobicContact CB-CE1 4.14Å; K90-F107 HydrophobicContact CB-CE2 4.34Å; K90-F107 HydrophobicContact CB-CZ 4.06Å; K90-F107 HydrophobicContact CD-CE1 3.88Å; K90-F107 HydrophobicContact CD-CZ 3.67Å; K90-F107 HydrophobicContact CG-CE1 4Å; K90-F107 HydrophobicContact CG-CZ 4.11Å; F107-C109 VanDerWaalsContact C-N 3.27Å; F107-C109 PolarHBondContact O-N 2.85Å; F107-W132 HydrophobicContact CB-CB 4.45Å; F107-W132 HydrophobicContact CB-CD2 4.3Å; F107-W132 HydrophobicContact CB-CG 3.88Å; F107-W132 HydrophobicContact CD1-CB 3.76Å; F107-W132 AromaticContact CD1-CD2 3.58Å; F107-W132 HydrophobicContact CD1-CD2 3.58Å; F107-W132 AromaticContact CD1-CE3 3.86Å; F107-W132 HydrophobicContact CD1-CE3 3.86Å; F107-W132 AromaticContact CD1-CG 3.55Å; F107-W132 HydrophobicContact CD1-CG 3.55Å; F107-W132 HydrophobicContact CE1-CD2 4.3Å; F107-W132 HydrophobicContact CE1-CE3 4.11Å; F107-W132 HydrophobicContact CG-CD2 4.34Å; F107-W132 HydrophobicContact CG-CG 4.21Å; F107-F134 HydrophobicContact CE1-CE1 4.4Å |
| 108 | D | 96.9 | Very high | 97 | Very high | 22 Ų | 22 | 33 Ų | 33 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 12.9 | 174.3 | 61.2 | 0.1 | 0 | 0 | 0 | 113.7 | H85 I86 M87 G106 Q110 | H85-D108 VanDerWaalsContact CA-OD2 3.29Å; H85-D108 WeakPolarHBondContact CA-OD2 3.21Å; H85-D108 VanDerWaalsContact CB-OD2 3.31Å; H85-D108 WeakPolarHBondContact CB-OD2 3.36Å; H85-D108 IonicContact CE1-OD1 3.77Å; H85-D108 IonicContact CG-OD1 3.99Å; H85-D108 IonicContact CG-OD2 2.79Å; H85-D108 VanDerWaalsContact ND1-CG 3.35Å; H85-D108 IonicContact ND1-OD1 3.72Å; H85-D108 PolarHBondContact ND1-OD1 3.03Å; H85-D108 IonicContact ND1-OD2 3.6Å; H85-D108 PolarHBondContact ND1-OD2 3.31Å; I86-D108 HydrophobicContact CB-CB 4.28Å; I86-D108 PolarHBondContact N-OD2 2.91Å; M87-D108 HydrophobicContact CB-CB 4.08Å; M87-D108 HydrophobicContact CG-CB 4.46Å; G106-D108 PolarHBondContact O-N 2.88Å; D108-Q110 PolarHBondContact O-N 3.42Å; D108-Q110 PolarHBondContact OD1-N 3.38Å |
| 109 | C | 97.7 | Very high | 97 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 22% | 0.223 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 67.7 | 8.7 | -179.8 | -46.5 | 0 | 0 | 0 | 0 | 114.6 | F107 H131 | F107-C109 VanDerWaalsContact C-N 3.27Å; F107-C109 PolarHBondContact O-N 2.85Å; C109-H131 WeakPolarHBondContact SG-CA 3.41Å |
| 110 | Q | 97.4 | Very high | 97.1 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | trans | -99.1 | 149 | -177.2 | -56.1 | -166.4 | 14.2 | 0 | 0 | 112 | H85 G106 D108 S125 | H85-Q110 PolarHBondContact CE1-O 3.2Å; H85-Q110 VanDerWaalsContact CE1-O 3.29Å; G106-Q110 PolarHBondContact N-O 2.84Å; D108-Q110 PolarHBondContact O-N 3.42Å; D108-Q110 PolarHBondContact OD1-N 3.38Å; Q110-S125 PolarHBondContact OE1-OG 3.21Å; Q110-S125 VanDerWaalsContact OE1-OG 3.09Å | ||
| 111 | I | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.5 | 160.1 | -58 | 163.1 | 0 | 0 | 0 | 106.5 | T104 F113 S125 L126 V133 V136 S148 | T104-I111 CarbonylContact O-C 3.56Å; T104-I111 VanDerWaalsContact O-CA 3.25Å; T104-I111 WeakPolarHBondContact O-CA 3.08Å; I111-F113 HydrophobicContact CG2-CE2 3.91Å; I111-F113 HydrophobicContact CG2-CZ 4.24Å; I111-S125 CarbonylContact O-C 3.52Å; I111-S125 WeakPolarHBondContact O-CA 3.49Å; I111-L126 HydrophobicContact CB-CB 4.33Å; I111-L126 PolarHBondContact N-O 3.22Å; I111-L126 PolarHBondContact O-N 3.41Å; I111-V133 HydrophobicContact CG1-CG1 4.24Å; I111-V136 HydrophobicContact CG2-CG2 3.86Å; I111-S148 VanDerWaalsContact CD1-CB 3.45Å; I111-S148 WeakPolarHBondContact CD1-OG 2.98Å |
| 112 | C | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 143.8 | -175.3 | -67.9 | 0 | 0 | 0 | 0 | 110.4 | A103 T104 W114 | A103-C112 CarbonylContact C-O 3.12Å; A103-C112 WeakPolarHBondContact CA-O 3.5Å; T104-C112 PolarHBondContact N-O 2.88Å; T104-C112 PolarHBondContact O-N 2.88Å; T104-C112 PolarHBondContact OG1-O 3.44Å; C112-W114 HydrophobicContact CB-CZ2 3.71Å |
| 113 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.6 | -179.9 | -64 | -104.8 | 0 | 0 | 0 | 110 | L101 L102 A103 I111 L123 L124 L126 Y138 L146 A160 L163 | L101-F113 HydrophobicContact CD1-CB 4.48Å; L102-F113 CarbonylContact O-C 3.58Å; L102-F113 WeakPolarHBondContact O-CA 3.49Å; A103-F113 HydrophobicContact CB-CD1 4.28Å; A103-F113 HydrophobicContact CB-CE1 4.2Å; I111-F113 HydrophobicContact CG2-CE2 3.91Å; I111-F113 HydrophobicContact CG2-CZ 4.24Å; F113-L123 HydrophobicContact CB-CB 4.26Å; F113-L123 PolarHBondContact O-N 2.8Å; F113-L124 HydrophobicContact CB-CB 4.15Å; F113-L124 HydrophobicContact CD2-CB 3.82Å; F113-L124 HydrophobicContact CD2-CD2 4.14Å; F113-L124 HydrophobicContact CD2-CG 4.09Å; F113-L124 HydrophobicContact CE2-CD2 4.13Å; F113-L124 HydrophobicContact CE2-CG 4.41Å; F113-L124 HydrophobicContact CG-CB 4.19Å; F113-L124 PolarHBondContact N-O 2.84Å; F113-L126 HydrophobicContact CE2-CD1 3.63Å; F113-L126 HydrophobicContact CE2-CG 3.99Å; F113-L126 HydrophobicContact CZ-CD1 4Å; F113-Y138 WeakPolarHBondContact CD1-OH 3.36Å; F113-Y138 HydrophobicContact CE1-CE1 4.28Å; F113-Y138 AromaticContact CE1-CZ 3.95Å; F113-Y138 VanDerWaalsContact CE1-OH 3.26Å; F113-Y138 WeakPolarHBondContact CE1-OH 3.47Å; F113-L146 HydrophobicContact CE1-CD1 4.01Å; F113-L146 HydrophobicContact CE1-CD2 3.66Å; F113-L146 HydrophobicContact CZ-CD1 3.92Å; F113-L146 HydrophobicContact CZ-CD2 3.67Å; F113-L146 HydrophobicContact CZ-CG 4.45Å; F113-A160 HydrophobicContact CE1-CB 3.87Å; F113-A160 HydrophobicContact CZ-CB 3.83Å; F113-L163 HydrophobicContact CB-CD1 3.48Å; F113-L163 VanDerWaalsContact CB-CD1 3.48Å; F113-L163 HydrophobicContact CD1-CD1 3.53Å; F113-L163 HydrophobicContact CD2-CD1 4.31Å; F113-L163 HydrophobicContact CE1-CD1 4.32Å; F113-L163 HydrophobicContact CG-CD1 3.52Å |
| 114 | W | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 142.3 | -170.7 | -51.5 | 91.1 | 0 | 0 | 0 | 111.1 | I81 S84 L101 L102 T104 C112 K122 | I81-W114 HydrophobicContact CD1-CB 3.73Å; I81-W114 HydrophobicContact CD1-CD2 4.15Å; I81-W114 HydrophobicContact CD1-CG 3.76Å; I81-W114 HydrophobicContact CG2-CD2 3.69Å; I81-W114 HydrophobicContact CG2-CE3 3.45Å; I81-W114 VanDerWaalsContact CG2-CE3 3.45Å; I81-W114 HydrophobicContact CG2-CG 4.43Å; I81-W114 HydrophobicContact CG2-CH2 3.86Å; I81-W114 HydrophobicContact CG2-CZ2 4.1Å; I81-W114 HydrophobicContact CG2-CZ3 3.53Å; S84-W114 VanDerWaalsContact CA-CZ2 3.47Å; S84-W114 VanDerWaalsContact CB-CZ2 3.48Å; S84-W114 WeakPolarHBondContact O-CZ2 3.46Å; L101-W114 WeakPolarHBondContact CA-O 3.05Å; L102-W114 PolarHBondContact N-O 2.87Å; L102-W114 PolarHBondContact O-N 2.8Å; T104-W114 PolarHBondContact OG1-NE1 2.9Å; C112-W114 HydrophobicContact CB-CZ2 3.71Å; W114-K122 HydrophobicContact CE3-CB 4.17Å; W114-K122 HydrophobicContact CH2-CB 3.88Å; W114-K122 HydrophobicContact CZ2-CB 4.21Å; W114-K122 HydrophobicContact CZ3-CB 3.86Å |
| 115 | D | 96.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.1 | 160.2 | -171 | -39.6 | 0 | 0 | 0 | 107.8 | Y100 R117 Q118 L123 | Y100-D115 WeakPolarHBondContact O-CA 3.42Å; D115-R117 PolarHBondContact O-N 3.31Å; D115-R117 VanDerWaalsContact O-N 3.11Å; D115-R117 WeakPolarHBondContact OD1-CA 3.49Å; D115-R117 WeakPolarHBondContact OD1-CB 3.37Å; D115-R117 WeakPolarHBondContact OD1-CG 3.4Å; D115-R117 IonicContact OD1-CZ 3.9Å; D115-R117 PolarHBondContact OD1-N 3.3Å; D115-R117 IonicContact OD1-NE 3.04Å; D115-R117 PolarHBondContact OD1-NE 2.86Å; D115-R117 IonicContact OD1-NH2 3.85Å; D115-R117 IonicContact OD2-CZ 3.5Å; D115-R117 IonicContact OD2-NE 3.39Å; D115-R117 PolarHBondContact OD2-NE 2.89Å; D115-R117 IonicContact OD2-NH2 2.74Å; D115-R117 PolarHBondContact OD2-NH2 2.82Å; D115-Q118 HydrophobicContact CB-CB 4.46Å; D115-Q118 CarbonylContact O-C 3.43Å; D115-Q118 PolarHBondContact O-N 3.43Å; D115-Q118 VanDerWaalsContact O-O 3.11Å; D115-L123 HydrophobicContact CB-CD1 4.17Å; D115-L123 HydrophobicContact CB-CD2 4.48Å |
| 116 | T | 96 | Very high | 96.8 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -11.9 | -178 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | Y79 F94 Y100 L102 T119 | Y79-T116 HydrophobicContact CD1-CG2 4.38Å; Y79-T116 HydrophobicContact CD2-CG2 4.43Å; Y79-T116 HydrophobicContact CE1-CG2 3.77Å; Y79-T116 HydrophobicContact CE2-CG2 3.84Å; Y79-T116 VanDerWaalsContact CZ-CG2 3.46Å; F94-T116 HydrophobicContact CE1-CG2 4.4Å; Y100-T116 WeakPolarHBondContact CA-OG1 3.3Å; Y100-T116 WeakPolarHBondContact CB-OG1 3.29Å; Y100-T116 WeakPolarHBondContact CD1-OG1 3.48Å; Y100-T116 WeakPolarHBondContact O-CG2 3.41Å; Y100-T116 PolarHBondContact O-N 3.04Å; Y100-T116 PolarHBondContact O-OG1 2.9Å; L102-T116 HydrophobicContact CB-CG2 4.15Å; T116-T119 WeakPolarHBondContact O-CG2 3.25Å |
| 117 | R | 95.4 | Very high | 96.8 | Very high | 171 Ų | 171 | 57.6 Ų | 57.6 | 65% | 0.645 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -23.5 | 171.7 | -53.1 | 169.6 | -64.2 | 175.8 | 4.4 | 112.2 | Y100 D115 | Y100-R117 HydrophobicContact CD1-CG 3.65Å; Y100-R117 HydrophobicContact CD2-CG 4.3Å; Y100-R117 HydrophobicContact CE1-CG 4.12Å; Y100-R117 HydrophobicContact CG-CG 3.76Å; D115-R117 PolarHBondContact O-N 3.31Å; D115-R117 VanDerWaalsContact O-N 3.11Å; D115-R117 WeakPolarHBondContact OD1-CA 3.49Å; D115-R117 WeakPolarHBondContact OD1-CB 3.37Å; D115-R117 WeakPolarHBondContact OD1-CG 3.4Å; D115-R117 IonicContact OD1-CZ 3.9Å; D115-R117 PolarHBondContact OD1-N 3.3Å; D115-R117 IonicContact OD1-NE 3.04Å; D115-R117 PolarHBondContact OD1-NE 2.86Å; D115-R117 IonicContact OD1-NH2 3.85Å; D115-R117 IonicContact OD2-CZ 3.5Å; D115-R117 IonicContact OD2-NE 3.39Å; D115-R117 PolarHBondContact OD2-NE 2.89Å; D115-R117 IonicContact OD2-NH2 2.74Å; D115-R117 PolarHBondContact OD2-NH2 2.82Å |
| 118 | Q | 95.4 | Very high | 96.8 | Very high | 119 Ų | 119 | 56.6 Ų | 56.6 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | B | Isolated β-bridge | trans | -129.6 | 80.9 | 179.6 | -174 | 174.6 | -30 | 0 | 0 | 110.3 | D115 K120 | D115-Q118 HydrophobicContact CB-CB 4.46Å; D115-Q118 CarbonylContact O-C 3.43Å; D115-Q118 PolarHBondContact O-N 3.43Å; D115-Q118 VanDerWaalsContact O-O 3.11Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-K120 PolarHBondContact O-N 2.84Å |
| 119 | T | 95.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.3 | -169.6 | 60.4 | 0 | 0 | 0 | 0 | 115.4 | Y79 C80 I81 T116 | Y79-T119 HydrophobicContact CD2-CG2 4.24Å; Y79-T119 HydrophobicContact CG-CG2 4.49Å; C80-T119 WeakPolarHBondContact O-CB 3.11Å; C80-T119 PolarHBondContact O-OG1 2.92Å; I81-T119 HydrophobicContact CG1-CG2 3.61Å; T116-T119 WeakPolarHBondContact O-CG2 3.25Å |
| 120 | K | 95.1 | Very high | 96.9 | Very high | 196 Ų | 196 | 58.8 Ų | 58.8 | 85% | 0.852 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -28.3 | -174.4 | -68.2 | -173.9 | 178.1 | -179.6 | 0 | 113.8 | Q118 | Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-K120 PolarHBondContact O-N 2.84Å |
| 121 | E | 95.2 | Very high | 96.9 | Very high | 131 Ų | 131 | 61 Ų | 61 | 61% | 0.612 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -131.8 | 139.6 | -174.4 | -66.9 | -175.8 | 167.4 | 0 | 0 | 109.8 | ||
| 122 | K | 96.4 | Very high | 96.9 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | trans | -75.7 | 138.7 | 172.4 | 63.3 | -171.8 | -174.2 | 174.4 | 0 | 109.8 | W114 S125 | W114-K122 HydrophobicContact CE3-CB 4.17Å; W114-K122 HydrophobicContact CH2-CB 3.88Å; W114-K122 HydrophobicContact CZ2-CB 4.21Å; W114-K122 HydrophobicContact CZ3-CB 3.86Å; K122-S125 VanDerWaalsContact NZ-CB 3.28Å; K122-S125 PolarHBondContact NZ-OG 2.96Å | ||
| 123 | L | 97.1 | Very high | 96.9 | Very high | 87 Ų | 87 | 66.1 Ų | 66.1 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -74.1 | -43.1 | 177 | -60.4 | 176.2 | 0 | 0 | 0 | 111.4 | L101 F113 D115 L163 | L101-L123 HydrophobicContact CD1-CD1 3.69Å; F113-L123 HydrophobicContact CB-CB 4.26Å; F113-L123 PolarHBondContact O-N 2.8Å; D115-L123 HydrophobicContact CB-CD1 4.17Å; D115-L123 HydrophobicContact CB-CD2 4.48Å; L123-L163 HydrophobicContact CB-CD1 4.26Å; L123-L163 HydrophobicContact CB-CD2 4.09Å; L123-L163 HydrophobicContact CD1-CD2 4.26Å |
| 124 | L | 96.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.183 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154 | -178.9 | -179.2 | 62.4 | 0 | 0 | 0 | 109.1 | F113 L126 A160 L163 | F113-L124 HydrophobicContact CB-CB 4.15Å; F113-L124 HydrophobicContact CD2-CB 3.82Å; F113-L124 HydrophobicContact CD2-CD2 4.14Å; F113-L124 HydrophobicContact CD2-CG 4.09Å; F113-L124 HydrophobicContact CE2-CD2 4.13Å; F113-L124 HydrophobicContact CE2-CG 4.41Å; F113-L124 HydrophobicContact CG-CB 4.19Å; F113-L124 PolarHBondContact N-O 2.84Å; L124-L126 HydrophobicContact CD1-CD2 4.19Å; L124-L126 HydrophobicContact CD2-CD1 4.36Å; L124-L126 HydrophobicContact CD2-CD2 4.04Å; L124-L126 HydrophobicContact CD2-CG 4.21Å; L124-L126 HydrophobicContact CG-CD2 4.06Å; L124-L126 HydrophobicContact CG-CG 4.22Å; L124-A160 HydrophobicContact CD2-CB 4.03Å; L124-L163 HydrophobicContact CB-CD1 3.81Å; L124-L163 HydrophobicContact CD2-CD1 4.14Å |
| 125 | S | 96.9 | Very high | 96.9 | Very high | 35 Ų | 35 | 67.9 Ų | 67.9 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 121.9 | 176.9 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | Q110 I111 K122 | Q110-S125 PolarHBondContact OE1-OG 3.21Å; Q110-S125 VanDerWaalsContact OE1-OG 3.09Å; I111-S125 CarbonylContact O-C 3.52Å; I111-S125 WeakPolarHBondContact O-CA 3.49Å; K122-S125 VanDerWaalsContact NZ-CB 3.28Å; K122-S125 PolarHBondContact NZ-OG 2.96Å |
| 126 | L | 97 | Very high | 97 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.6 | -178.3 | -57.7 | 176.3 | 0 | 0 | 0 | 109.2 | I111 F113 L124 | I111-L126 HydrophobicContact CB-CB 4.33Å; I111-L126 PolarHBondContact N-O 3.22Å; I111-L126 PolarHBondContact O-N 3.41Å; F113-L126 HydrophobicContact CE2-CD1 3.63Å; F113-L126 HydrophobicContact CE2-CG 3.99Å; F113-L126 HydrophobicContact CZ-CD1 4Å; L124-L126 HydrophobicContact CD1-CD2 4.19Å; L124-L126 HydrophobicContact CD2-CD1 4.36Å; L124-L126 HydrophobicContact CD2-CD2 4.04Å; L124-L126 HydrophobicContact CD2-CG 4.21Å; L124-L126 HydrophobicContact CG-CD2 4.06Å; L124-L126 HydrophobicContact CG-CG 4.22Å |
| 127 | C | 97 | Very high | 97.1 | Very high | 85 Ų | 85 | 67.1 Ų | 67.1 | 57% | 0.574 | 33% | 0.325 | S | S | * | . | trans | -111.3 | 66.9 | 178.3 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 128 | H | 96.9 | Very high | 97.2 | Very high | 36 Ų | 36 | 59.2 Ų | 59.2 | 17% | 0.167 | 30% | 0.295 | C | S | . | . | trans | -88.2 | -20.5 | -174.7 | -61.4 | 160.6 | 0 | 0 | 0 | 114.2 | V156 I185 | H128-V156 HydrophobicContact CB-CG1 4.04Å; H128-V156 HydrophobicContact CB-CG2 4.43Å; H128-I185 HydrophobicContact CB-CD1 4.02Å; H128-I185 HydrophobicContact CB-CG1 4.1Å; H128-I185 WeakPolarHBondContact CD2-CG1 3.35Å; H128-I185 WeakPolarHBondContact NE2-CG1 3.44Å | ||
| 129 | H | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 6% | 0.06 | 27% | 0.269 | C | S | . | . | trans | -103.3 | 153.4 | -177.6 | -74.1 | -72.7 | 0 | 0 | 0 | 111.4 | V133 S148 S150 D152 V156 | H129-V133 HydrophobicContact CB-CG2 3.91Å; H129-S148 PolarHBondContact CD2-OG 3.16Å; H129-S148 PolarHBondContact NE2-OG 3.3Å; H129-S150 VanDerWaalsContact CG-CB 3.47Å; H129-S150 WeakPolarHBondContact ND1-CB 3.45Å; H129-D152 VanDerWaalsContact CA-OD2 3.31Å; H129-D152 WeakPolarHBondContact CA-OD2 3.32Å; H129-D152 WeakPolarHBondContact CB-OD2 3.47Å; H129-D152 IonicContact CE1-OD1 3.87Å; H129-D152 IonicContact CG-OD2 3.56Å; H129-D152 IonicContact ND1-OD1 3.2Å; H129-D152 PolarHBondContact ND1-OD1 2.9Å; H129-D152 IonicContact ND1-OD2 2.97Å; H129-D152 PolarHBondContact ND1-OD2 3.09Å; H129-V156 VanDerWaalsContact CE1-CG2 3.44Å; H129-V156 WeakPolarHBondContact CE1-CG2 3.43Å | ||
| 130 | S | 97.8 | Very high | 97.3 | Very high | 87 Ų | 87 | 56.8 Ų | 56.8 | 61% | 0.608 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -99.6 | -0.6 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | D152 | S130-D152 PolarHBondContact N-OD2 3.21Å; S130-D152 WeakPolarHBondContact OG-CB 3.47Å |
| 131 | H | 98 | Very high | 97.3 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 39% | 0.389 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -150.8 | -176.4 | 175.5 | -154.2 | -93.2 | 0 | 0 | 0 | 109.9 | C109 V133 S150 S151 D152 | C109-H131 WeakPolarHBondContact SG-CA 3.41Å; H131-V133 PolarHBondContact O-N 3.27Å; H131-S150 PolarHBondContact O-OG 2.9Å; H131-S151 WeakPolarHBondContact CB-OG 3.48Å; H131-S151 PolarHBondContact ND1-OG 2.99Å; H131-D152 HydrophobicContact CB-CB 4.11Å |
| 132 | W | 97.9 | Very high | 97.3 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | trans | -45.2 | 125 | -175.3 | -59.2 | -9.4 | 0 | 0 | 0 | 114.6 | F107 F134 S150 S151 | F107-W132 HydrophobicContact CB-CB 4.45Å; F107-W132 HydrophobicContact CB-CD2 4.3Å; F107-W132 HydrophobicContact CB-CG 3.88Å; F107-W132 HydrophobicContact CD1-CB 3.76Å; F107-W132 AromaticContact CD1-CD2 3.58Å; F107-W132 HydrophobicContact CD1-CD2 3.58Å; F107-W132 AromaticContact CD1-CE3 3.86Å; F107-W132 HydrophobicContact CD1-CE3 3.86Å; F107-W132 AromaticContact CD1-CG 3.55Å; F107-W132 HydrophobicContact CD1-CG 3.55Å; F107-W132 HydrophobicContact CE1-CD2 4.3Å; F107-W132 HydrophobicContact CE1-CE3 4.11Å; F107-W132 HydrophobicContact CG-CD2 4.34Å; F107-W132 HydrophobicContact CG-CG 4.21Å; W132-F134 HydrophobicContact CB-CE1 4.34Å; W132-F134 HydrophobicContact CE3-CE1 4.15Å; W132-F134 HydrophobicContact CE3-CZ 4.26Å; W132-S150 WeakPolarHBondContact O-CA 3.12Å; W132-S150 VanDerWaalsContact O-CB 3.24Å; W132-S150 WeakPolarHBondContact O-CB 3.49Å; W132-S150 PolarHBondContact O-OG 3.49Å; W132-S151 WeakPolarHBondContact CB-OG 3.48Å; W132-S151 PolarHBondContact N-OG 2.88Å; W132-S151 VanDerWaalsContact N-OG 3.14Å; W132-S151 PolarHBondContact O-N 3.29Å; W132-S151 VanDerWaalsContact O-N 3.1Å; W132-S151 PolarHBondContact O-OG 3.15Å; W132-S151 VanDerWaalsContact O-OG 3.08Å | ||
| 133 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.8 | 176.3 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | A105 G106 I111 H129 H131 | A105-V133 HydrophobicContact CB-CB 3.98Å; A105-V133 HydrophobicContact CB-CG1 3.63Å; G106-V133 PolarHBondContact O-N 3.03Å; G106-V133 VanDerWaalsContact O-N 3.08Å; I111-V133 HydrophobicContact CG1-CG1 4.24Å; H129-V133 HydrophobicContact CB-CG2 3.91Å; H131-V133 PolarHBondContact O-N 3.27Å |
| 134 | F | 98 | Very high | 97.2 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -32.5 | -173.3 | -71.8 | -50.8 | 0 | 0 | 0 | 114.2 | K90 D91 F107 W132 C149 S151 V196 Y197 | K90-F134 HydrophobicContact CD-CD1 4.41Å; K90-F134 HydrophobicContact CG-CD1 4.15Å; K90-F134 PolarHBondContact NZ-O 2.8Å; D91-F134 WeakPolarHBondContact CB-O 3.31Å; F107-F134 HydrophobicContact CE1-CE1 4.4Å; W132-F134 HydrophobicContact CB-CE1 4.34Å; W132-F134 HydrophobicContact CE3-CE1 4.15Å; W132-F134 HydrophobicContact CE3-CZ 4.26Å; F134-C149 PolarHBondContact N-O 3.22Å; F134-S151 VanDerWaalsContact CE2-CB 3.49Å; F134-V196 VanDerWaalsContact CD2-O 3.31Å; F134-V196 WeakPolarHBondContact CD2-O 3.23Å; F134-Y197 HydrophobicContact CD1-CD1 4.38Å; F134-Y197 AromaticContact CD2-CD1 3.82Å; F134-Y197 HydrophobicContact CD2-CD1 3.82Å; F134-Y197 HydrophobicContact CD2-CE1 4.19Å; F134-Y197 HydrophobicContact CE1-CD1 4.32Å; F134-Y197 HydrophobicContact CE1-CE1 4.08Å; F134-Y197 AromaticContact CE2-CD1 3.7Å; F134-Y197 HydrophobicContact CE2-CD1 3.7Å; F134-Y197 AromaticContact CE2-CE1 3.58Å; F134-Y197 HydrophobicContact CE2-CE1 3.58Å; F134-Y197 HydrophobicContact CG-CD1 4.15Å; F134-Y197 AromaticContact CZ-CD1 3.98Å; F134-Y197 HydrophobicContact CZ-CD1 3.98Å; F134-Y197 AromaticContact CZ-CE1 3.53Å; F134-Y197 HydrophobicContact CZ-CE1 3.53Å |
| 135 | M | 98.2 | Very high | 97.2 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.3 | 177.2 | -66 | -165.6 | 173.9 | 0 | 0 | 111.6 | D91 S148 C149 C198 | D91-M135 WeakPolarHBondContact OD2-CA 3.27Å; M135-S148 VanDerWaalsContact O-CA 3.25Å; M135-S148 WeakPolarHBondContact O-CA 3.4Å; M135-S148 WeakPolarHBondContact O-CB 3.25Å; M135-C149 PolarHBondContact O-N 2.83Å; M135-C198 HydrophobicContact CE-CB 4.05Å; M135-C198 HydrophobicContact SD-CB 4.12Å; M135-C198 VanDerWaalsContact SD-SG 3.69Å |
| 136 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.5 | 165.1 | 58.1 | 0 | 0 | 0 | 0 | 108.1 | D91 D93 A103 A105 I111 L146 L147 | D91-V136 PolarHBondContact OD2-N 2.8Å; D93-V136 WeakPolarHBondContact CB-O 3.34Å; A103-V136 HydrophobicContact CB-CG1 4.32Å; A103-V136 HydrophobicContact CB-CG2 4.02Å; A105-V136 HydrophobicContact CB-CB 3.92Å; A105-V136 HydrophobicContact CB-CG1 3.71Å; I111-V136 HydrophobicContact CG2-CG2 3.86Å; V136-L146 HydrophobicContact CG2-CD2 3.87Å; V136-L147 CarbonylContact C-O 3.57Å; V136-L147 WeakPolarHBondContact CA-O 3.37Å |
| 137 | K | 98.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 121.3 | -175.8 | -65.9 | -67.9 | -176.5 | 138 | 0 | 111.5 | D93 L146 L147 E200 W201 | D93-K137 WeakPolarHBondContact OD2-CA 3.3Å; K137-L146 CarbonylContact O-C 3.59Å; K137-L146 WeakPolarHBondContact O-CA 3.5Å; K137-L147 HydrophobicContact CB-CB 4.47Å; K137-L147 PolarHBondContact N-O 3.33Å; K137-L147 PolarHBondContact O-N 3.09Å; K137-E200 VanDerWaalsContact CE-OE2 3.24Å; K137-E200 WeakPolarHBondContact CE-OE2 3.26Å; K137-E200 IonicContact NZ-OE1 3.19Å; K137-E200 PolarHBondContact NZ-OE1 2.85Å; K137-E200 IonicContact NZ-OE2 3.48Å; K137-E200 PolarHBondContact NZ-OE2 2.88Å; K137-W201 PolarHBondContact O-NE1 2.9Å |
| 138 | Y | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.02 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 145.2 | 166.5 | -79 | -80.5 | 0 | 0 | 0 | 110.3 | D93 F94 N95 A103 F113 D143 L146 W201 | D93-Y138 HydrophobicContact CB-CD2 4.26Å; D93-Y138 PolarHBondContact OD2-N 3.2Å; F94-Y138 VanDerWaalsContact C-CD2 3.5Å; F94-Y138 WeakPolarHBondContact O-CD2 3.16Å; N95-Y138 HydrophobicContact CB-CD1 4.41Å; N95-Y138 HydrophobicContact CB-CD2 4.32Å; N95-Y138 HydrophobicContact CB-CE1 4.07Å; N95-Y138 HydrophobicContact CB-CE2 3.97Å; A103-Y138 HydrophobicContact CB-CD2 4.37Å; A103-Y138 HydrophobicContact CB-CE2 3.51Å; F113-Y138 WeakPolarHBondContact CD1-OH 3.36Å; F113-Y138 HydrophobicContact CE1-CE1 4.28Å; F113-Y138 AromaticContact CE1-CZ 3.95Å; F113-Y138 VanDerWaalsContact CE1-OH 3.26Å; F113-Y138 WeakPolarHBondContact CE1-OH 3.47Å; Y138-D143 WeakPolarHBondContact CD1-O 3.3Å; Y138-D143 WeakPolarHBondContact CE1-O 3.19Å; Y138-L146 HydrophobicContact CD1-CD1 4.31Å; Y138-L146 HydrophobicContact CD1-CD2 3.88Å; Y138-L146 HydrophobicContact CD1-CG 3.83Å; Y138-L146 HydrophobicContact CD2-CD2 4.37Å; Y138-L146 HydrophobicContact CE1-CD1 4.08Å; Y138-L146 HydrophobicContact CE1-CD2 3.7Å; Y138-L146 HydrophobicContact CE1-CG 3.94Å; Y138-L146 HydrophobicContact CE2-CD2 4.21Å; Y138-L146 HydrophobicContact CG-CD2 4.22Å; Y138-L146 HydrophobicContact CG-CG 4.43Å; Y138-W201 PolarHBondContact O-NE1 3.33Å |
| 139 | N | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | trans | -65.1 | 138.8 | 165.6 | -173.4 | -76.4 | 0 | 0 | 0 | 109.5 | P96 V141 H142 L145 W201 P206 | P96-N139 WeakPolarHBondContact CG-O 3.34Å; N139-V141 PolarHBondContact O-N 2.81Å; N139-V141 PolarHBondContact OD1-N 2.89Å; N139-H142 WeakPolarHBondContact CB-O 3.39Å; N139-H142 PolarHBondContact OD1-N 3.28Å; N139-L145 HydrophobicContact CB-CB 3.89Å; N139-L145 WeakPolarHBondContact CB-O 3.27Å; N139-L145 PolarHBondContact N-O 2.88Å; N139-W201 HydrophobicContact CB-CD2 4.2Å; N139-W201 HydrophobicContact CB-CH2 4.24Å; N139-W201 HydrophobicContact CB-CZ2 3.71Å; N139-W201 WeakPolarHBondContact ND2-CH2 3.47Å; N139-W201 WeakPolarHBondContact ND2-CZ3 3.04Å; N139-P206 PolarHBondContact ND2-O 3.35Å | ||
| 140 | L | 95 | Very high | 97.5 | Very high | 99 Ų | 99 | 27.3 Ų | 27.3 | 52% | 0.518 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -68 | -17.4 | -174.2 | -58.5 | 175.7 | 0 | 0 | 0 | 114.1 | W201 A203 | L140-W201 HydrophobicContact CG-CB 4.42Å; L140-A203 HydrophobicContact CD1-CB 4.49Å |
| 141 | V | 94.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 24 Ų | 24 | 47% | 0.467 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -120.3 | -51.8 | -177.2 | -179 | 0 | 0 | 0 | 0 | 111 | N97 N139 D143 P206 | N97-V141 PolarHBondContact ND2-O 3.35Å; N139-V141 PolarHBondContact O-N 2.81Å; N139-V141 PolarHBondContact OD1-N 2.89Å; V141-D143 PolarHBondContact O-N 3.2Å; V141-P206 HydrophobicContact CB-CB 4Å; V141-P206 HydrophobicContact CG2-CB 3.88Å; V141-P206 HydrophobicContact CG2-CG 4.45Å |
| 142 | H | 95.5 | Very high | 97.6 | Very high | 28 Ų | 28 | 21 Ų | 21 | 13% | 0.13 | 10% | 0.104 | C | C | . | . | trans | -100.3 | 81.4 | -174.7 | -62.5 | -62.1 | 0 | 0 | 0 | 110.4 | N139 Q144 L145 W207 V231 | N139-H142 WeakPolarHBondContact CB-O 3.39Å; N139-H142 PolarHBondContact OD1-N 3.28Å; H142-Q144 VanDerWaalsContact CA-OE1 3.29Å; H142-Q144 PolarHBondContact O-N 3.49Å; H142-Q144 PolarHBondContact O-OE1 3.33Å; H142-L145 HydrophobicContact CB-CD1 4.29Å; H142-L145 HydrophobicContact CB-CG 4.4Å; H142-L145 WeakPolarHBondContact O-CB 3.29Å; H142-L145 PolarHBondContact O-N 2.96Å; H142-W207 AromaticContact CD2-CH2 3.43Å; H142-W207 VanDerWaalsContact CD2-CH2 3.43Å; H142-W207 WeakPolarHBondContact CD2-CH2 3.32Å; H142-W207 AromaticContact CD2-CZ2 3.65Å; H142-W207 AromaticContact NE2-CH2 3.39Å; H142-W207 WeakPolarHBondContact NE2-CH2 3.44Å; H142-W207 AromaticContact NE2-CZ2 3.21Å; H142-W207 WeakPolarHBondContact NE2-CZ2 3.22Å; H142-V231 HydrophobicContact CB-CG1 4.01Å; H142-V231 WeakPolarHBondContact ND1-CG1 3.17Å | ||
| 143 | D | 95.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.011 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -9.4 | -170.7 | 78.4 | -33.8 | 0 | 0 | 0 | 115.1 | N95 P96 N97 Y138 V141 L145 S164 S165 | N95-D143 WeakPolarHBondContact ND2-CB 3.38Å; N95-D143 PolarHBondContact ND2-OD2 3.47Å; N95-D143 WeakPolarHBondContact OD1-CB 3.35Å; N95-D143 PolarHBondContact OD1-OD2 3.3Å; N95-D143 VanDerWaalsContact OD1-OD2 3.12Å; P96-D143 HydrophobicContact CG-CB 4.18Å; N97-D143 HydrophobicContact CB-CB 4.13Å; Y138-D143 WeakPolarHBondContact CD1-O 3.3Å; Y138-D143 WeakPolarHBondContact CE1-O 3.19Å; V141-D143 PolarHBondContact O-N 3.2Å; D143-L145 VanDerWaalsContact C-N 3.26Å; D143-S164 WeakPolarHBondContact OD1-CB 3.26Å; D143-S165 PolarHBondContact OD1-N 2.89Å; D143-S165 VanDerWaalsContact OD1-N 3.11Å; D143-S165 PolarHBondContact OD1-OG 3.11Å; D143-S165 PolarHBondContact OD2-N 2.78Å |
| 144 | Q | 95.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -20.8 | 166.6 | 68.2 | -91.4 | 63.1 | 0 | 0 | 113.1 | H142 C159 A160 S164 E166 V231 | H142-Q144 VanDerWaalsContact CA-OE1 3.29Å; H142-Q144 PolarHBondContact O-N 3.49Å; H142-Q144 PolarHBondContact O-OE1 3.33Å; Q144-C159 CarbonylContact O-C 3.51Å; Q144-C159 WeakPolarHBondContact O-CA 3.18Å; Q144-C159 PolarHBondContact O-SG 2.83Å; Q144-A160 PolarHBondContact O-N 2.86Å; Q144-S164 VanDerWaalsContact CB-CB 3.42Å; Q144-E166 PolarHBondContact NE2-OE1 3.43Å; Q144-E166 PolarHBondContact NE2-OE2 2.88Å; Q144-V231 HydrophobicContact CG-CG2 4.31Å |
| 145 | L | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.7 | -177.5 | -63.6 | -177.4 | 0 | 0 | 0 | 111.4 | N139 H142 D143 L157 L181 W201 W207 V231 | N139-L145 HydrophobicContact CB-CB 3.89Å; N139-L145 WeakPolarHBondContact CB-O 3.27Å; N139-L145 PolarHBondContact N-O 2.88Å; H142-L145 HydrophobicContact CB-CD1 4.29Å; H142-L145 HydrophobicContact CB-CG 4.4Å; H142-L145 WeakPolarHBondContact O-CB 3.29Å; H142-L145 PolarHBondContact O-N 2.96Å; D143-L145 VanDerWaalsContact C-N 3.26Å; L145-L157 HydrophobicContact CB-CD1 4.42Å; L145-L157 HydrophobicContact CD2-CD1 4.49Å; L145-L181 HydrophobicContact CD2-CD1 4.11Å; L145-W201 HydrophobicContact CB-CH2 4.32Å; L145-W201 HydrophobicContact CB-CZ2 4.15Å; L145-W201 HydrophobicContact CD1-CH2 4.38Å; L145-W207 HydrophobicContact CD1-CZ3 4.14Å; L145-V231 HydrophobicContact CD1-CG2 4.28Å; L145-V231 HydrophobicContact CD2-CG2 4.17Å; L145-V231 HydrophobicContact CG-CG2 4.29Å |
| 146 | L | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.7 | 174.9 | -63.1 | 98 | 0 | 0 | 0 | 111.7 | A103 F113 V136 K137 Y138 L157 S158 A160 | A103-L146 HydrophobicContact CB-CD2 4.16Å; F113-L146 HydrophobicContact CE1-CD1 4.01Å; F113-L146 HydrophobicContact CE1-CD2 3.66Å; F113-L146 HydrophobicContact CZ-CD1 3.92Å; F113-L146 HydrophobicContact CZ-CD2 3.67Å; F113-L146 HydrophobicContact CZ-CG 4.45Å; V136-L146 HydrophobicContact CG2-CD2 3.87Å; K137-L146 CarbonylContact O-C 3.59Å; K137-L146 WeakPolarHBondContact O-CA 3.5Å; Y138-L146 HydrophobicContact CD1-CD1 4.31Å; Y138-L146 HydrophobicContact CD1-CD2 3.88Å; Y138-L146 HydrophobicContact CD1-CG 3.83Å; Y138-L146 HydrophobicContact CD2-CD2 4.37Å; Y138-L146 HydrophobicContact CE1-CD1 4.08Å; Y138-L146 HydrophobicContact CE1-CD2 3.7Å; Y138-L146 HydrophobicContact CE1-CG 3.94Å; Y138-L146 HydrophobicContact CE2-CD2 4.21Å; Y138-L146 HydrophobicContact CG-CD2 4.22Å; Y138-L146 HydrophobicContact CG-CG 4.43Å; L146-L157 WeakPolarHBondContact O-CA 3.45Å; L146-S158 PolarHBondContact N-O 2.83Å; L146-S158 PolarHBondContact O-N 3.44Å; L146-S158 PolarHBondContact O-OG 3.21Å; L146-A160 HydrophobicContact CD1-CB 3.74Å |
| 147 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 141.3 | 165.1 | -70.6 | 170.9 | 0 | 0 | 0 | 110 | V136 K137 V155 V156 L157 W201 F209 | V136-L147 CarbonylContact C-O 3.57Å; V136-L147 WeakPolarHBondContact CA-O 3.37Å; K137-L147 HydrophobicContact CB-CB 4.47Å; K137-L147 PolarHBondContact N-O 3.33Å; K137-L147 PolarHBondContact O-N 3.09Å; L147-V155 HydrophobicContact CD2-CG1 4.17Å; L147-V156 WeakPolarHBondContact CA-O 2.82Å; L147-L157 HydrophobicContact CD2-CB 4.23Å; L147-L157 HydrophobicContact CD2-CD1 4.01Å; L147-W201 HydrophobicContact CB-CZ2 4.5Å; L147-W201 HydrophobicContact CD1-CD2 3.49Å; L147-W201 VanDerWaalsContact CD1-CD2 3.49Å; L147-W201 HydrophobicContact CD1-CE3 4.01Å; L147-W201 HydrophobicContact CD1-CG 3.88Å; L147-W201 HydrophobicContact CD1-CH2 4.27Å; L147-W201 HydrophobicContact CD1-CZ2 3.79Å; L147-W201 HydrophobicContact CD1-CZ3 4.36Å; L147-W201 HydrophobicContact CD2-CH2 4.43Å; L147-W201 HydrophobicContact CD2-CZ2 4.18Å; L147-W201 HydrophobicContact CG-CD2 4.12Å; L147-W201 VanDerWaalsContact CG-CE2 3.43Å; L147-W201 HydrophobicContact CG-CH2 4.11Å; L147-W201 HydrophobicContact CG-CZ2 3.46Å; L147-W201 VanDerWaalsContact CG-CZ2 3.46Å; L147-F209 HydrophobicContact CD1-CB 3.36Å; L147-F209 HydrophobicContact CD1-CD1 4.07Å; L147-F209 HydrophobicContact CD1-CD2 3.78Å; L147-F209 HydrophobicContact CD1-CG 3.48Å; L147-F209 VanDerWaalsContact CD1-CG 3.48Å; L147-F209 HydrophobicContact CD2-CD1 4.15Å; L147-F209 HydrophobicContact CD2-CD2 3.99Å; L147-F209 HydrophobicContact CD2-CE1 4.13Å; L147-F209 HydrophobicContact CD2-CE2 3.95Å; L147-F209 HydrophobicContact CD2-CG 4.08Å; L147-F209 HydrophobicContact CD2-CZ 4.03Å; L147-F209 HydrophobicContact CG-CG 4.43Å |
| 148 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.6 | 165.4 | 60.5 | 0 | 0 | 0 | 0 | 110.8 | I111 H129 M135 V155 V156 | I111-S148 VanDerWaalsContact CD1-CB 3.45Å; I111-S148 WeakPolarHBondContact CD1-OG 2.98Å; H129-S148 PolarHBondContact CD2-OG 3.16Å; H129-S148 PolarHBondContact NE2-OG 3.3Å; M135-S148 VanDerWaalsContact O-CA 3.25Å; M135-S148 WeakPolarHBondContact O-CA 3.4Å; M135-S148 WeakPolarHBondContact O-CB 3.25Å; S148-V155 CarbonylContact O-C 3.51Å; S148-V155 WeakPolarHBondContact O-CA 3.36Å; S148-V156 PolarHBondContact N-O 3.17Å; S148-V156 PolarHBondContact O-N 2.82Å |
| 149 | C | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.9 | 175.8 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | F134 M135 V155 V196 C199 | F134-C149 PolarHBondContact N-O 3.22Å; M135-C149 PolarHBondContact O-N 2.83Å; C149-V155 HydrophobicContact CB-CG2 4.25Å; C149-V196 HydrophobicContact CB-CB 3.94Å; C149-V196 HydrophobicContact CB-CG1 3.65Å; C149-V196 PolarHBondContact SG-O 2.88Å; C149-C199 HydrophobicContact CB-CB 4.04Å |
| 150 | S | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.2 | -172.9 | 170 | 0 | 0 | 0 | 0 | 112 | H129 H131 W132 D152 S153 K154 V196 | H129-S150 VanDerWaalsContact CG-CB 3.47Å; H129-S150 WeakPolarHBondContact ND1-CB 3.45Å; H131-S150 PolarHBondContact O-OG 2.9Å; W132-S150 WeakPolarHBondContact O-CA 3.12Å; W132-S150 VanDerWaalsContact O-CB 3.24Å; W132-S150 WeakPolarHBondContact O-CB 3.49Å; W132-S150 PolarHBondContact O-OG 3.49Å; S150-D152 WeakPolarHBondContact CB-OD1 3.33Å; S150-D152 PolarHBondContact O-N 2.87Å; S150-D152 VanDerWaalsContact OG-CG 3.3Å; S150-D152 PolarHBondContact OG-N 3.46Å; S150-D152 VanDerWaalsContact OG-N 3.07Å; S150-D152 PolarHBondContact OG-OD1 3Å; S150-S153 PolarHBondContact O-N 3.49Å; S150-K154 PolarHBondContact N-O 3Å; S150-V196 PolarHBondContact O-N 2.74Å |
| 151 | S | 98.4 | Very high | 97.4 | Very high | 18 Ų | 18 | 12 Ų | 12 | 13% | 0.126 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -12.7 | 163.6 | 45.7 | 0 | 0 | 0 | 0 | 115.3 | H131 W132 F134 S153 S195 | H131-S151 WeakPolarHBondContact CB-OG 3.48Å; H131-S151 PolarHBondContact ND1-OG 2.99Å; W132-S151 WeakPolarHBondContact CB-OG 3.48Å; W132-S151 PolarHBondContact N-OG 2.88Å; W132-S151 VanDerWaalsContact N-OG 3.14Å; W132-S151 PolarHBondContact O-N 3.29Å; W132-S151 VanDerWaalsContact O-N 3.1Å; W132-S151 PolarHBondContact O-OG 3.15Å; W132-S151 VanDerWaalsContact O-OG 3.08Å; F134-S151 VanDerWaalsContact CE2-CB 3.49Å; S151-S153 PolarHBondContact O-N 2.99Å; S151-S153 VanDerWaalsContact O-N 3.14Å; S151-S195 WeakPolarHBondContact CA-OG 3.45Å; S151-S195 WeakPolarHBondContact CB-OG 3.49Å; S151-S195 PolarHBondContact O-OG 3.1Å |
| 152 | D | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 11 Ų | 11 | 12% | 0.118 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 11.3 | 171.1 | 70.1 | 6.6 | 0 | 0 | 0 | 114.1 | H129 S130 H131 S150 K154 | H129-D152 VanDerWaalsContact CA-OD2 3.31Å; H129-D152 WeakPolarHBondContact CA-OD2 3.32Å; H129-D152 WeakPolarHBondContact CB-OD2 3.47Å; H129-D152 IonicContact CE1-OD1 3.87Å; H129-D152 IonicContact CG-OD2 3.56Å; H129-D152 IonicContact ND1-OD1 3.2Å; H129-D152 PolarHBondContact ND1-OD1 2.9Å; H129-D152 IonicContact ND1-OD2 2.97Å; H129-D152 PolarHBondContact ND1-OD2 3.09Å; S130-D152 PolarHBondContact N-OD2 3.21Å; S130-D152 WeakPolarHBondContact OG-CB 3.47Å; H131-D152 HydrophobicContact CB-CB 4.11Å; S150-D152 WeakPolarHBondContact CB-OD1 3.33Å; S150-D152 PolarHBondContact O-N 2.87Å; S150-D152 VanDerWaalsContact OG-CG 3.3Å; S150-D152 PolarHBondContact OG-N 3.46Å; S150-D152 VanDerWaalsContact OG-N 3.07Å; S150-D152 PolarHBondContact OG-OD1 3Å; D152-K154 PolarHBondContact O-N 3.43Å; D152-K154 VanDerWaalsContact OD1-CB 3.22Å; D152-K154 WeakPolarHBondContact OD1-CB 3.43Å; D152-K154 PolarHBondContact OD1-N 2.86Å |
| 153 | S | 98.3 | Very high | 97.3 | Very high | 28 Ų | 28 | 10.8 Ų | 10.8 | 20% | 0.196 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 66.6 | 16.5 | -179 | -46.3 | 0 | 0 | 0 | 0 | 114.7 | S150 S151 E194 | S150-S153 PolarHBondContact O-N 3.49Å; S151-S153 PolarHBondContact O-N 2.99Å; S151-S153 VanDerWaalsContact O-N 3.14Å; S153-E194 WeakPolarHBondContact CA-O 3.32Å; S153-E194 WeakPolarHBondContact CB-O 3.27Å; S153-E194 WeakPolarHBondContact OG-CA 3.38Å; S153-E194 PolarHBondContact OG-O 2.75Å |
| 154 | K | 98.5 | Very high | 97.2 | Very high | 63 Ų | 63 | 10.7 Ų | 10.7 | 27% | 0.274 | 6% | 0.062 | S | C | . | . | trans | -111.7 | 149.8 | -178 | -58.7 | 169.1 | -176.1 | 163 | 0 | 112.4 | S150 D152 V188 N190 | S150-K154 PolarHBondContact N-O 3Å; D152-K154 PolarHBondContact O-N 3.43Å; D152-K154 VanDerWaalsContact OD1-CB 3.22Å; D152-K154 WeakPolarHBondContact OD1-CB 3.43Å; D152-K154 PolarHBondContact OD1-N 2.86Å; K154-V188 HydrophobicContact CB-CG1 4.14Å; K154-V188 HydrophobicContact CD-CG1 3.88Å; K154-V188 HydrophobicContact CG-CG1 4.12Å; K154-N190 WeakPolarHBondContact CE-OD1 3.35Å; K154-N190 WeakPolarHBondContact CG-OD1 3.23Å | ||
| 155 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.5 | 159.3 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | L147 S148 C149 Y189 V196 C199 F209 | L147-V155 HydrophobicContact CD2-CG1 4.17Å; S148-V155 CarbonylContact O-C 3.51Å; S148-V155 WeakPolarHBondContact O-CA 3.36Å; C149-V155 HydrophobicContact CB-CG2 4.25Å; V155-Y189 PolarHBondContact N-O 3.12Å; V155-Y189 VanDerWaalsContact N-O 3.1Å; V155-Y189 PolarHBondContact O-N 2.86Å; V155-V196 HydrophobicContact CG2-CB 4.46Å; V155-V196 HydrophobicContact CG2-CG1 3.83Å; V155-V196 HydrophobicContact CG2-CG2 4.36Å; V155-C199 HydrophobicContact CG1-CB 4.46Å; V155-F209 HydrophobicContact CG1-CE2 4.07Å |
| 156 | V | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.6 | 179.6 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | H128 H129 L147 S148 I185 V188 | H128-V156 HydrophobicContact CB-CG1 4.04Å; H128-V156 HydrophobicContact CB-CG2 4.43Å; H129-V156 VanDerWaalsContact CE1-CG2 3.44Å; H129-V156 WeakPolarHBondContact CE1-CG2 3.43Å; L147-V156 WeakPolarHBondContact CA-O 2.82Å; S148-V156 PolarHBondContact N-O 3.17Å; S148-V156 PolarHBondContact O-N 2.82Å; V156-I185 HydrophobicContact CG1-CG1 4.3Å; V156-I185 HydrophobicContact CG1-CG2 4.3Å; V156-V188 HydrophobicContact CG2-CG1 4.32Å; V156-V188 HydrophobicContact CG2-CG2 4.32Å |
| 157 | L | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 119 | 160.6 | 178.4 | 68.3 | 0 | 0 | 0 | 107.6 | L145 L146 L147 V186 K187 Y189 W201 V223 | L145-L157 HydrophobicContact CB-CD1 4.42Å; L145-L157 HydrophobicContact CD2-CD1 4.49Å; L146-L157 WeakPolarHBondContact O-CA 3.45Å; L147-L157 HydrophobicContact CD2-CB 4.23Å; L147-L157 HydrophobicContact CD2-CD1 4.01Å; L157-V186 HydrophobicContact CD2-CB 4.08Å; L157-V186 HydrophobicContact CD2-CG1 3.81Å; L157-V186 HydrophobicContact CG-CB 3.99Å; L157-V186 HydrophobicContact CG-CG1 4.29Å; L157-V186 WeakPolarHBondContact O-CA 3.48Å; L157-V186 WeakPolarHBondContact O-CB 3.25Å; L157-V186 PolarHBondContact O-N 3.28Å; L157-K187 HydrophobicContact CB-CB 4.32Å; L157-K187 HydrophobicContact CD2-CB 4.5Å; L157-K187 PolarHBondContact N-O 2.83Å; L157-K187 PolarHBondContact O-N 3.08Å; L157-Y189 HydrophobicContact CB-CE2 3.94Å; L157-W201 HydrophobicContact CD1-CH2 3.61Å; L157-W201 HydrophobicContact CD1-CZ2 3.9Å; L157-V223 HydrophobicContact CD2-CB 4.38Å; L157-V223 HydrophobicContact CD2-CG1 3.99Å; L157-V223 HydrophobicContact CD2-CG2 4.08Å |
| 158 | S | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 164.1 | 179.2 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | L146 G184 | L146-S158 PolarHBondContact N-O 2.83Å; L146-S158 PolarHBondContact O-N 3.44Å; L146-S158 PolarHBondContact O-OG 3.21Å; S158-G184 CarbonylContact C-O 3.47Å; S158-G184 WeakPolarHBondContact CA-O 3.44Å; S158-G184 VanDerWaalsContact CB-O 3.3Å; S158-G184 WeakPolarHBondContact CB-O 3.44Å |
| 159 | C | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.8 | 175.9 | -164.3 | 0 | 0 | 0 | 0 | 110.2 | Q144 S161 L181 D183 G184 V186 | Q144-C159 CarbonylContact O-C 3.51Å; Q144-C159 WeakPolarHBondContact O-CA 3.18Å; Q144-C159 PolarHBondContact O-SG 2.83Å; C159-S161 PolarHBondContact SG-OG 2.89Å; C159-L181 HydrophobicContact CB-CB 4.21Å; C159-L181 VanDerWaalsContact SG-CB 3.57Å; C159-D183 CarbonylContact O-C 3.48Å; C159-D183 VanDerWaalsContact O-CA 3.3Å; C159-D183 WeakPolarHBondContact O-CA 3.34Å; C159-G184 PolarHBondContact N-O 3.18Å; C159-G184 PolarHBondContact O-N 2.82Å; C159-V186 HydrophobicContact CB-CG2 3.67Å |
| 160 | A | 96.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | trans | -129.9 | 56.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | F113 L124 Q144 L146 S162 L163 S164 D183 | F113-A160 HydrophobicContact CE1-CB 3.87Å; F113-A160 HydrophobicContact CZ-CB 3.83Å; L124-A160 HydrophobicContact CD2-CB 4.03Å; Q144-A160 PolarHBondContact O-N 2.86Å; L146-A160 HydrophobicContact CD1-CB 3.74Å; A160-S162 PolarHBondContact O-N 2.85Å; A160-L163 PolarHBondContact O-N 3.32Å; A160-S164 PolarHBondContact O-N 3.08Å; A160-D183 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 161 | S | 93.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -54.5 | -35.9 | 179.2 | -70.4 | 0 | 0 | 0 | 0 | 112.8 | C159 L163 S164 Q167 L181 D183 | C159-S161 PolarHBondContact SG-OG 2.89Å; S161-L163 PolarHBondContact O-N 3.2Å; S161-S164 PolarHBondContact O-N 2.68Å; S161-S164 VanDerWaalsContact O-N 3.13Å; S161-S164 PolarHBondContact O-OG 3.06Å; S161-Q167 WeakPolarHBondContact O-CG 3.24Å; S161-L181 WeakPolarHBondContact CB-O 3.08Å; S161-L181 PolarHBondContact OG-O 2.84Å; S161-D183 PolarHBondContact N-OD1 2.82Å |
| 162 | S | 93.2 | Very high | 87.4 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -59.1 | -21.3 | 177.6 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | A160 D183 | A160-S162 PolarHBondContact O-N 2.85Å; S162-D183 WeakPolarHBondContact CB-OD2 3.43Å; S162-D183 PolarHBondContact N-OD1 2.97Å; S162-D183 PolarHBondContact OG-OD1 3.05Å; S162-D183 PolarHBondContact OG-OD2 2.85Å |
| 163 | L | 94.3 | Very high | 85.6 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -109.7 | -2 | -178.5 | -55.3 | -178 | 0 | 0 | 0 | 113.3 | R98 L101 F113 L123 L124 A160 S161 | R98-L163 WeakPolarHBondContact CD-O 3.29Å; R98-L163 PolarHBondContact NE-O 3.04Å; R98-L163 VanDerWaalsContact NE-O 3.12Å; L101-L163 HydrophobicContact CD1-CD1 4.39Å; L101-L163 HydrophobicContact CD2-CB 3.94Å; L101-L163 WeakPolarHBondContact CD2-O 3.31Å; F113-L163 HydrophobicContact CB-CD1 3.48Å; F113-L163 VanDerWaalsContact CB-CD1 3.48Å; F113-L163 HydrophobicContact CD1-CD1 3.53Å; F113-L163 HydrophobicContact CD2-CD1 4.31Å; F113-L163 HydrophobicContact CE1-CD1 4.32Å; F113-L163 HydrophobicContact CG-CD1 3.52Å; L123-L163 HydrophobicContact CB-CD1 4.26Å; L123-L163 HydrophobicContact CB-CD2 4.09Å; L123-L163 HydrophobicContact CD1-CD2 4.26Å; L124-L163 HydrophobicContact CB-CD1 3.81Å; L124-L163 HydrophobicContact CD2-CD1 4.14Å; A160-L163 PolarHBondContact O-N 3.32Å; S161-L163 PolarHBondContact O-N 3.2Å |
| 164 | S | 93.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -80 | 154.3 | -173.6 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | R98 D143 Q144 A160 S161 E166 Q167 | R98-S164 PolarHBondContact NE-O 2.86Å; R98-S164 PolarHBondContact NH2-O 3.24Å; D143-S164 WeakPolarHBondContact OD1-CB 3.26Å; Q144-S164 VanDerWaalsContact CB-CB 3.42Å; A160-S164 PolarHBondContact O-N 3.08Å; S161-S164 PolarHBondContact O-N 2.68Å; S161-S164 VanDerWaalsContact O-N 3.13Å; S161-S164 PolarHBondContact O-OG 3.06Å; S164-E166 PolarHBondContact O-N 3.48Å; S164-E166 VanDerWaalsContact O-N 3.09Å; S164-Q167 PolarHBondContact O-N 2.97Å; S164-Q167 VanDerWaalsContact O-N 3.08Å |
| 165 | S | 92.1 | Very high | 80.9 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.8 | -31.8 | 179.3 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | D143 Q167 L168 | D143-S165 PolarHBondContact OD1-N 2.89Å; D143-S165 VanDerWaalsContact OD1-N 3.11Å; D143-S165 PolarHBondContact OD1-OG 3.11Å; D143-S165 PolarHBondContact OD2-N 2.78Å; S165-Q167 VanDerWaalsContact C-N 3.26Å; S165-Q167 PolarHBondContact O-N 3.19Å; S165-L168 WeakPolarHBondContact O-CB 3.31Å; S165-L168 PolarHBondContact O-N 2.68Å |
| 166 | E | 85 | Confident | 78.5 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 19% | 0.192 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57 | -34.2 | 177.5 | -69.1 | 177.5 | -173.6 | 0 | 0 | 113.5 | Q144 S164 L168 E169 T170 | Q144-E166 PolarHBondContact NE2-OE1 3.43Å; Q144-E166 PolarHBondContact NE2-OE2 2.88Å; S164-E166 PolarHBondContact O-N 3.48Å; S164-E166 VanDerWaalsContact O-N 3.09Å; E166-L168 VanDerWaalsContact C-N 3.25Å; E166-L168 PolarHBondContact O-N 3.23Å; E166-E169 WeakPolarHBondContact O-CB 3.48Å; E166-E169 PolarHBondContact O-N 2.86Å; E166-T170 PolarHBondContact O-N 2.79Å; E166-T170 PolarHBondContact O-OG1 3.23Å |
| 167 | Q | 77.3 | Confident | 76.5 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 29% | 0.285 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65 | -26.4 | 177.2 | -72.1 | -69.1 | -34.6 | 0 | 0 | 113.7 | S161 S164 S165 E169 T170 S171 | S161-Q167 WeakPolarHBondContact O-CG 3.24Å; S164-Q167 PolarHBondContact O-N 2.97Å; S164-Q167 VanDerWaalsContact O-N 3.08Å; S165-Q167 VanDerWaalsContact C-N 3.26Å; S165-Q167 PolarHBondContact O-N 3.19Å; Q167-E169 VanDerWaalsContact C-N 3.3Å; Q167-T170 WeakPolarHBondContact CA-OG1 3.42Å; Q167-T170 PolarHBondContact O-OG1 2.96Å; Q167-S171 WeakPolarHBondContact O-CB 3.31Å; Q167-S171 PolarHBondContact O-N 3.36Å; Q167-S171 VanDerWaalsContact O-N 3.13Å; Q167-S171 PolarHBondContact O-OG 3.46Å |
| 168 | L | 71.7 | Confident | 74.6 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.3 | -27.8 | 173.7 | -77.6 | 159.7 | 0 | 0 | 0 | 111.7 | R98 S165 E166 Q172 | R98-L168 VanDerWaalsContact CZ-CG 3.46Å; R98-L168 VanDerWaalsContact NH2-CG 3.32Å; S165-L168 WeakPolarHBondContact O-CB 3.31Å; S165-L168 PolarHBondContact O-N 2.68Å; E166-L168 VanDerWaalsContact C-N 3.25Å; E166-L168 PolarHBondContact O-N 3.23Å; L168-Q172 PolarHBondContact O-NE2 3.19Å; L168-Q172 VanDerWaalsContact O-NE2 3.14Å |
| 169 | E | 69.9 | Low | 72.9 | Confident | 124 Ų | 124 | 83 Ų | 83 | 58% | 0.579 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -80.3 | -44 | 178.3 | -59.8 | -175.9 | 175 | 0 | 0 | 110.7 | E166 Q167 Q172 Q173 | E166-E169 WeakPolarHBondContact O-CB 3.48Å; E166-E169 PolarHBondContact O-N 2.86Å; Q167-E169 VanDerWaalsContact C-N 3.3Å; E169-Q172 WeakPolarHBondContact O-CB 3.22Å; E169-Q172 PolarHBondContact O-N 3.34Å; E169-Q172 VanDerWaalsContact O-N 3.14Å; E169-Q173 PolarHBondContact O-N 3.08Å |
| 170 | T | 64.2 | Low | 71.8 | Confident | 54 Ų | 54 | 85 Ų | 85 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.4 | -32.8 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | E166 Q167 Q172 Q173 | E166-T170 PolarHBondContact O-N 2.79Å; E166-T170 PolarHBondContact O-OG1 3.23Å; Q167-T170 WeakPolarHBondContact CA-OG1 3.42Å; Q167-T170 PolarHBondContact O-OG1 2.96Å; T170-Q172 PolarHBondContact O-N 3.36Å; T170-Q172 VanDerWaalsContact O-N 3.1Å; T170-Q173 CarbonylContact O-C 3.41Å; T170-Q173 WeakPolarHBondContact O-CA 3.33Å; T170-Q173 PolarHBondContact O-N 2.79Å |
| 171 | S | 60.6 | Low | 71.3 | Confident | 90 Ų | 90 | 85.6 Ų | 85.6 | 63% | 0.629 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.7 | 172.8 | -63 | 0 | 0 | 0 | 0 | 113 | Q167 | Q167-S171 WeakPolarHBondContact O-CB 3.31Å; Q167-S171 PolarHBondContact O-N 3.36Å; Q167-S171 VanDerWaalsContact O-N 3.13Å; Q167-S171 PolarHBondContact O-OG 3.46Å |
| 172 | Q | 58.5 | Low | 71.2 | Confident | 162 Ų | 162 | 89.3 Ų | 89.3 | 76% | 0.757 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -15.5 | 174 | -63 | 175.9 | 40.8 | 0 | 0 | 112.6 | L168 E169 T170 | L168-Q172 PolarHBondContact O-NE2 3.19Å; L168-Q172 VanDerWaalsContact O-NE2 3.14Å; E169-Q172 WeakPolarHBondContact O-CB 3.22Å; E169-Q172 PolarHBondContact O-N 3.34Å; E169-Q172 VanDerWaalsContact O-N 3.14Å; T170-Q172 PolarHBondContact O-N 3.36Å; T170-Q172 VanDerWaalsContact O-N 3.1Å |
| 173 | Q | 59.3 | Low | 71.2 | Confident | 153 Ų | 153 | 89.5 Ų | 89.5 | 72% | 0.715 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -120.4 | 87 | -179.2 | -62.3 | -173.6 | 17.8 | 0 | 0 | 109.4 | E169 T170 G175 | E169-Q173 PolarHBondContact O-N 3.08Å; T170-Q173 CarbonylContact O-C 3.41Å; T170-Q173 WeakPolarHBondContact O-CA 3.33Å; T170-Q173 PolarHBondContact O-N 2.79Å; Q173-G175 PolarHBondContact O-N 3.08Å |
| 174 | N | 49.4 | Very low | 71.3 | Confident | 170 Ų | 170 | 89 Ų | 89 | 91% | 0.909 | 49% | 0.49 | S | S | * | . | trans | -45.9 | 107 | 172.8 | -79.8 | -25.2 | 0 | 0 | 0 | 111.8 | ||||
| 175 | G | 48.6 | Very low | 71.5 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 123.4 | 37.6 | 141.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | Q173 | Q173-G175 PolarHBondContact O-N 3.08Š|
| 176 | Q | 49.7 | Very low | 71.7 | Confident | 176 Ų | 176 | 92.9 Ų | 92.9 | 82% | 0.822 | 51% | 0.508 | S | S | * | . | trans | -141.7 | 93.3 | 161.3 | -70.2 | -172.7 | -7.9 | 0 | 0 | 112 | ||||
| 177 | E | 55.6 | Low | 72.4 | Confident | 182 Ų | 182 | 95.4 Ų | 95.4 | 85% | 0.85 | 52% | 0.518 | S | S | * | . | trans | -96.7 | -3.1 | -178.3 | -75.4 | -175.3 | 164 | 0 | 0 | 114.7 | ||||
| 178 | E | 58 | Low | 73.4 | Confident | 203 Ų | 203 | 94.4 Ų | 94.4 | 95% | 0.949 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -86.4 | -12.5 | -166.7 | -73.5 | -170.8 | 159.4 | 0 | 0 | 116.2 | ||
| 179 | S | 62.8 | Low | 74.6 | Confident | 52 Ų | 52 | 91 Ų | 91 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -100.5 | -18.3 | -170.7 | 59.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 180 | S | 75.2 | Confident | 75.9 | Confident | 44 Ų | 44 | 90 Ų | 90 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -75.2 | 150.1 | -176 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | A182 | S180-A182 PolarHBondContact O-N 2.81Š|
| 181 | L | 84.6 | Confident | 77.5 | Confident | 12 Ų | 12 | 90.9 Ų | 90.9 | 6% | 0.063 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 133.9 | 169.2 | -72.5 | 170.2 | 0 | 0 | 0 | 109.5 | L145 C159 S161 V186 A227 R230 V231 | L145-L181 HydrophobicContact CD2-CD1 4.11Å; C159-L181 HydrophobicContact CB-CB 4.21Å; C159-L181 VanDerWaalsContact SG-CB 3.57Å; S161-L181 WeakPolarHBondContact CB-O 3.08Å; S161-L181 PolarHBondContact OG-O 2.84Å; L181-V186 HydrophobicContact CD1-CG2 4.22Å; L181-A227 HydrophobicContact CD1-CB 4.42Å; L181-R230 HydrophobicContact CD2-CB 4.06Å; L181-R230 HydrophobicContact CD2-CG 4.46Å; L181-R230 HydrophobicContact CG-CB 3.94Å; L181-V231 HydrophobicContact CD1-CG2 3.64Å |
| 182 | A | 91 | Very high | 79.3 | Confident | 83 Ų | 83 | 87.1 Ų | 87.1 | 69% | 0.686 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 157.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S180 | S180-A182 PolarHBondContact O-N 2.81Š|
| 183 | D | 94.4 | Very high | 81.1 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 33% | 0.326 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -58.3 | 140.6 | 172.3 | -66 | -9.4 | 0 | 0 | 0 | 111.2 | C159 A160 S161 S162 | C159-D183 CarbonylContact O-C 3.48Å; C159-D183 VanDerWaalsContact O-CA 3.3Å; C159-D183 WeakPolarHBondContact O-CA 3.34Å; A160-D183 WeakPolarHBondContact CA-OD1 3.26Å; S161-D183 PolarHBondContact N-OD1 2.82Å; S162-D183 WeakPolarHBondContact CB-OD2 3.43Å; S162-D183 PolarHBondContact N-OD1 2.97Å; S162-D183 PolarHBondContact OG-OD1 3.05Å; S162-D183 PolarHBondContact OG-OD2 2.85Å |
| 184 | G | 96.1 | Very high | 83 | Confident | 14 Ų | 14 | 83.5 Ų | 83.5 | 14% | 0.144 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.6 | -153.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S158 C159 | S158-G184 CarbonylContact C-O 3.47Å; S158-G184 WeakPolarHBondContact CA-O 3.44Å; S158-G184 VanDerWaalsContact CB-O 3.3Å; S158-G184 WeakPolarHBondContact CB-O 3.44Å; C159-G184 PolarHBondContact N-O 3.18Å; C159-G184 PolarHBondContact O-N 2.82Å |
| 185 | I | 97.5 | Very high | 85.3 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 45% | 0.451 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 124.8 | -175.6 | -59.7 | 178.4 | 0 | 0 | 0 | 110 | H128 V156 V188 | H128-I185 HydrophobicContact CB-CD1 4.02Å; H128-I185 HydrophobicContact CB-CG1 4.1Å; H128-I185 WeakPolarHBondContact CD2-CG1 3.35Å; H128-I185 WeakPolarHBondContact NE2-CG1 3.44Å; V156-I185 HydrophobicContact CG1-CG1 4.3Å; V156-I185 HydrophobicContact CG1-CG2 4.3Å; I185-V188 HydrophobicContact CD1-CG2 4.48Å; I185-V188 HydrophobicContact CG2-CG2 3.73Å |
| 186 | V | 97.2 | Very high | 87.7 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -53.7 | 167.4 | -180 | 0 | 0 | 0 | 0 | 109.2 | L157 C159 L181 Y226 A227 | L157-V186 HydrophobicContact CD2-CB 4.08Å; L157-V186 HydrophobicContact CD2-CG1 3.81Å; L157-V186 HydrophobicContact CG-CB 3.99Å; L157-V186 HydrophobicContact CG-CG1 4.29Å; L157-V186 WeakPolarHBondContact O-CA 3.48Å; L157-V186 WeakPolarHBondContact O-CB 3.25Å; L157-V186 PolarHBondContact O-N 3.28Å; C159-V186 HydrophobicContact CB-CG2 3.67Å; L181-V186 HydrophobicContact CD1-CG2 4.22Å; V186-Y226 HydrophobicContact CG1-CE2 4.34Å; V186-Y226 PolarHBondContact O-OH 3.34Å; V186-A227 HydrophobicContact CG1-CB 3.49Å; V186-A227 VanDerWaalsContact CG1-CB 3.49Å |
| 187 | K | 97.9 | Very high | 90 | Very high | 93 Ų | 93 | 69.7 Ų | 69.7 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 135.3 | -178.1 | -179.3 | 64.5 | 179.8 | 173.2 | 0 | 111.3 | L157 Y189 P224 | L157-K187 HydrophobicContact CB-CB 4.32Å; L157-K187 HydrophobicContact CD2-CB 4.5Å; L157-K187 PolarHBondContact N-O 2.83Å; L157-K187 PolarHBondContact O-N 3.08Å; K187-Y189 HydrophobicContact CB-CD2 4.46Å; K187-Y189 HydrophobicContact CB-CE2 3.75Å; K187-Y189 HydrophobicContact CG-CD2 3.93Å; K187-Y189 HydrophobicContact CG-CE1 4.21Å; K187-Y189 HydrophobicContact CG-CE2 3.4Å; K187-Y189 VanDerWaalsContact CG-CE2 3.4Å; K187-Y189 HydrophobicContact CG-CG 4.5Å; K187-P224 HydrophobicContact CB-CG 4.05Å; K187-P224 HydrophobicContact CG-CG 4.08Å |
| 188 | V | 98.3 | Very high | 92 | Very high | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 129 | 166.8 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | K154 V156 I185 | K154-V188 HydrophobicContact CB-CG1 4.14Å; K154-V188 HydrophobicContact CD-CG1 3.88Å; K154-V188 HydrophobicContact CG-CG1 4.12Å; V156-V188 HydrophobicContact CG2-CG1 4.32Å; V156-V188 HydrophobicContact CG2-CG2 4.32Å; I185-V188 HydrophobicContact CD1-CG2 4.48Å; I185-V188 HydrophobicContact CG2-CG2 3.73Å |
| 189 | Y | 98.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.8 | 174.8 | -62.6 | -99.2 | 0 | 0 | 0 | 108 | V155 L157 K187 F209 R222 P224 | V155-Y189 PolarHBondContact N-O 3.12Å; V155-Y189 VanDerWaalsContact N-O 3.1Å; V155-Y189 PolarHBondContact O-N 2.86Å; L157-Y189 HydrophobicContact CB-CE2 3.94Å; K187-Y189 HydrophobicContact CB-CD2 4.46Å; K187-Y189 HydrophobicContact CB-CE2 3.75Å; K187-Y189 HydrophobicContact CG-CD2 3.93Å; K187-Y189 HydrophobicContact CG-CE1 4.21Å; K187-Y189 HydrophobicContact CG-CE2 3.4Å; K187-Y189 VanDerWaalsContact CG-CE2 3.4Å; K187-Y189 HydrophobicContact CG-CG 4.5Å; Y189-F209 HydrophobicContact CD1-CZ 4.33Å; Y189-F209 AromaticContact CD2-CZ 4Å; Y189-F209 HydrophobicContact CD2-CZ 4Å; Y189-F209 AromaticContact CE1-CZ 3.89Å; Y189-F209 HydrophobicContact CE1-CZ 3.89Å; Y189-F209 HydrophobicContact CE2-CE1 4.31Å; Y189-F209 HydrophobicContact CE2-CE2 4.46Å; Y189-F209 AromaticContact CE2-CZ 3.55Å; Y189-F209 HydrophobicContact CE2-CZ 3.55Å; Y189-F209 HydrophobicContact CG-CZ 4.38Å; Y189-F209 AromaticContact CZ-CZ 3.47Å; Y189-F209 VanDerWaalsContact CZ-CZ 3.47Å; Y189-R222 PolarHBondContact OH-O 2.91Å; Y189-P224 WeakPolarHBondContact OH-CD 3.43Å |
| 190 | N | 97.5 | Very high | 95.6 | Very high | 104 Ų | 104 | 55.3 Ų | 55.3 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | trans | -118.3 | 34.9 | -175.5 | -57.4 | -86.2 | 0 | 0 | 0 | 110.1 | K154 H192 | K154-N190 WeakPolarHBondContact CE-OD1 3.35Å; K154-N190 WeakPolarHBondContact CG-OD1 3.23Å; N190-H192 VanDerWaalsContact C-N 3.31Å | ||
| 191 | D | 97.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | trans | -80.9 | -12.7 | -175.1 | -60.4 | -92.1 | 0 | 0 | 0 | 113.1 | R217 V219 | D191-R217 PolarHBondContact O-NE 2.76Å; D191-R217 PolarHBondContact O-NH2 2.6Å; D191-V219 HydrophobicContact CB-CG1 4.02Å; D191-V219 HydrophobicContact CB-CG2 4.12Å | ||
| 192 | H | 97.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | trans | -98.5 | 145.3 | 176.4 | -64.6 | -83.7 | 0 | 0 | 0 | 110.8 | N190 V196 S211 S213 R217 | N190-H192 VanDerWaalsContact C-N 3.31Å; H192-V196 HydrophobicContact CB-CG2 3.67Å; H192-S211 PolarHBondContact CE1-O 3.2Å; H192-S211 WeakPolarHBondContact NE2-CB 3Å; H192-S211 PolarHBondContact NE2-OG 3.32Å; H192-S213 WeakPolarHBondContact ND1-CB 3.29Å; H192-S213 PolarHBondContact ND1-OG 3.36Å; H192-R217 PolarHBondContact CE1-O 3.03Å; H192-R217 VanDerWaalsContact CE1-O 3.29Å | ||
| 193 | E | 96.9 | Very high | 97.5 | Very high | 147 Ų | 147 | 55.6 Ų | 55.6 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -101 | -10.3 | 177.7 | -68.4 | 168.2 | -144.6 | 0 | 0 | 112 | R217 | E193-R217 IonicContact OE1-NH1 3.13Å; E193-R217 PolarHBondContact OE1-NH1 2.74Å; E193-R217 VanDerWaalsContact OE1-NH1 3.13Å |
| 194 | E | 98.1 | Very high | 97.5 | Very high | 92 Ų | 92 | 58.5 Ų | 58.5 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -133.8 | 169.8 | -177.6 | -74.6 | -69.1 | -179.4 | 0 | 0 | 111.2 | S153 V196 D215 | S153-E194 WeakPolarHBondContact CA-O 3.32Å; S153-E194 WeakPolarHBondContact CB-O 3.27Å; S153-E194 WeakPolarHBondContact OG-CA 3.38Å; S153-E194 PolarHBondContact OG-O 2.75Å; E194-V196 PolarHBondContact O-N 3.2Å; E194-D215 HydrophobicContact CG-CB 4.34Å |
| 195 | S | 98.3 | Very high | 97.6 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | trans | -46.8 | 128.5 | 179.5 | -75.6 | 0 | 0 | 0 | 0 | 113.4 | S151 S213 Y214 | S151-S195 WeakPolarHBondContact CA-OG 3.45Å; S151-S195 WeakPolarHBondContact CB-OG 3.49Å; S151-S195 PolarHBondContact O-OG 3.1Å; S195-S213 CarbonylContact O-C 3.54Å; S195-S213 WeakPolarHBondContact O-CA 3.25Å; S195-S213 WeakPolarHBondContact O-CB 3.1Å; S195-Y214 PolarHBondContact O-N 3.15Å | ||
| 196 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 106 | -179.9 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | F134 C149 S150 V155 H192 E194 | F134-V196 VanDerWaalsContact CD2-O 3.31Å; F134-V196 WeakPolarHBondContact CD2-O 3.23Å; C149-V196 HydrophobicContact CB-CB 3.94Å; C149-V196 HydrophobicContact CB-CG1 3.65Å; C149-V196 PolarHBondContact SG-O 2.88Å; S150-V196 PolarHBondContact O-N 2.74Å; V155-V196 HydrophobicContact CG2-CB 4.46Å; V155-V196 HydrophobicContact CG2-CG1 3.83Å; V155-V196 HydrophobicContact CG2-CG2 4.36Å; H192-V196 HydrophobicContact CB-CG2 3.67Å; E194-V196 PolarHBondContact O-N 3.2Å |
| 197 | Y | 97.8 | Very high | 97.5 | Very high | 102 Ų | 102 | 56.9 Ų | 56.9 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -24.3 | -173.7 | -72.7 | -70.1 | 0 | 0 | 0 | 114.6 | F134 L212 Y214 | F134-Y197 HydrophobicContact CD1-CD1 4.38Å; F134-Y197 AromaticContact CD2-CD1 3.82Å; F134-Y197 HydrophobicContact CD2-CD1 3.82Å; F134-Y197 HydrophobicContact CD2-CE1 4.19Å; F134-Y197 HydrophobicContact CE1-CD1 4.32Å; F134-Y197 HydrophobicContact CE1-CE1 4.08Å; F134-Y197 AromaticContact CE2-CD1 3.7Å; F134-Y197 HydrophobicContact CE2-CD1 3.7Å; F134-Y197 AromaticContact CE2-CE1 3.58Å; F134-Y197 HydrophobicContact CE2-CE1 3.58Å; F134-Y197 HydrophobicContact CG-CD1 4.15Å; F134-Y197 AromaticContact CZ-CD1 3.98Å; F134-Y197 HydrophobicContact CZ-CD1 3.98Å; F134-Y197 AromaticContact CZ-CE1 3.53Å; F134-Y197 HydrophobicContact CZ-CE1 3.53Å; Y197-L212 PolarHBondContact N-O 3.12Å; Y197-Y214 AromaticContact CE2-CD2 3.57Å; Y197-Y214 HydrophobicContact CE2-CD2 3.57Å; Y197-Y214 AromaticContact CE2-CG 3.96Å; Y197-Y214 HydrophobicContact CE2-CG 3.96Å |
| 198 | C | 97.8 | Very high | 97.5 | Very high | 41 Ų | 41 | 55 Ų | 55 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.8 | -176.7 | -171 | 0 | 0 | 0 | 0 | 111 | M135 S211 L212 | M135-C198 HydrophobicContact CE-CB 4.05Å; M135-C198 HydrophobicContact SD-CB 4.12Å; M135-C198 VanDerWaalsContact SD-SG 3.69Å; C198-S211 CarbonylContact O-C 3.47Å; C198-S211 VanDerWaalsContact O-CA 3.22Å; C198-S211 WeakPolarHBondContact O-CA 3.41Å; C198-L212 HydrophobicContact CB-CB 4.32Å; C198-L212 PolarHBondContact N-O 3.2Å; C198-L212 PolarHBondContact O-N 3.26Å |
| 199 | C | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.5 | 163.2 | 60.6 | 0 | 0 | 0 | 0 | 108.7 | C149 V155 A210 | C149-C199 HydrophobicContact CB-CB 4.04Å; V155-C199 HydrophobicContact CG1-CB 4.46Å; C199-A210 CarbonylContact C-O 3.5Å; C199-A210 VanDerWaalsContact CA-O 3.26Å; C199-A210 WeakPolarHBondContact CA-O 3.31Å |
| 200 | E | 98.1 | Very high | 97.6 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 136.1 | -178.4 | -163.5 | 74.3 | -175.9 | 0 | 0 | 110.2 | K137 F209 A210 | K137-E200 VanDerWaalsContact CE-OE2 3.24Å; K137-E200 WeakPolarHBondContact CE-OE2 3.26Å; K137-E200 IonicContact NZ-OE1 3.19Å; K137-E200 PolarHBondContact NZ-OE1 2.85Å; K137-E200 IonicContact NZ-OE2 3.48Å; K137-E200 PolarHBondContact NZ-OE2 2.88Å; E200-F209 CarbonylContact O-C 3.53Å; E200-F209 VanDerWaalsContact O-CA 3.26Å; E200-F209 WeakPolarHBondContact O-CA 3.14Å; E200-F209 VanDerWaalsContact O-CB 3.31Å; E200-F209 WeakPolarHBondContact O-CB 3.24Å; E200-A210 PolarHBondContact N-O 3.02Å; E200-A210 PolarHBondContact O-N 2.97Å |
| 201 | W | 98.4 | Very high | 97.6 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 147.7 | 172 | -71.2 | 103.4 | 0 | 0 | 0 | 111.1 | K137 Y138 N139 L140 L145 L147 L157 P206 F209 V223 | K137-W201 PolarHBondContact O-NE1 2.9Å; Y138-W201 PolarHBondContact O-NE1 3.33Å; N139-W201 HydrophobicContact CB-CD2 4.2Å; N139-W201 HydrophobicContact CB-CH2 4.24Å; N139-W201 HydrophobicContact CB-CZ2 3.71Å; N139-W201 WeakPolarHBondContact ND2-CH2 3.47Å; N139-W201 WeakPolarHBondContact ND2-CZ3 3.04Å; L140-W201 HydrophobicContact CG-CB 4.42Å; L145-W201 HydrophobicContact CB-CH2 4.32Å; L145-W201 HydrophobicContact CB-CZ2 4.15Å; L145-W201 HydrophobicContact CD1-CH2 4.38Å; L147-W201 HydrophobicContact CB-CZ2 4.5Å; L147-W201 HydrophobicContact CD1-CD2 3.49Å; L147-W201 VanDerWaalsContact CD1-CD2 3.49Å; L147-W201 HydrophobicContact CD1-CE3 4.01Å; L147-W201 HydrophobicContact CD1-CG 3.88Å; L147-W201 HydrophobicContact CD1-CH2 4.27Å; L147-W201 HydrophobicContact CD1-CZ2 3.79Å; L147-W201 HydrophobicContact CD1-CZ3 4.36Å; L147-W201 HydrophobicContact CD2-CH2 4.43Å; L147-W201 HydrophobicContact CD2-CZ2 4.18Å; L147-W201 HydrophobicContact CG-CD2 4.12Å; L147-W201 VanDerWaalsContact CG-CE2 3.43Å; L147-W201 HydrophobicContact CG-CH2 4.11Å; L147-W201 HydrophobicContact CG-CZ2 3.46Å; L147-W201 VanDerWaalsContact CG-CZ2 3.46Å; L157-W201 HydrophobicContact CD1-CH2 3.61Å; L157-W201 HydrophobicContact CD1-CZ2 3.9Å; W201-P206 WeakPolarHBondContact CZ3-O 3.05Å; W201-F209 HydrophobicContact CD2-CB 4.37Å; W201-F209 HydrophobicContact CE3-CB 3.97Å; W201-F209 HydrophobicContact CE3-CD1 4.27Å; W201-F209 HydrophobicContact CZ3-CB 4.48Å; W201-F209 AromaticContact CZ3-CD1 3.93Å; W201-F209 HydrophobicContact CZ3-CD1 3.93Å; W201-V223 HydrophobicContact CH2-CG2 3.81Å; W201-V223 HydrophobicContact CZ3-CG2 3.68Å |
| 202 | S | 97.9 | Very high | 97.7 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 22% | 0.217 | 28% | 0.277 | C | S | . | . | trans | -69.8 | 131.9 | 170.5 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | C204 D205 L208 | S202-C204 PolarHBondContact O-N 2.97Å; S202-C204 PolarHBondContact OG-N 3.14Å; S202-C204 PolarHBondContact OG-SG 2.98Å; S202-D205 WeakPolarHBondContact CB-O 3.38Å; S202-D205 PolarHBondContact OG-N 2.98Å; S202-L208 VanDerWaalsContact CB-O 3.31Å; S202-L208 WeakPolarHBondContact CB-O 3.2Å; S202-L208 PolarHBondContact N-O 3.1Å | ||
| 203 | A | 94.4 | Very high | 97.7 | Very high | 98 Ų | 98 | 48.9 Ų | 48.9 | 81% | 0.81 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -72.4 | -16.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L140 | L140-A203 HydrophobicContact CD1-CB 4.49Š|
| 204 | C | 95.5 | Very high | 97.7 | Very high | 122 Ų | 122 | 49.7 Ų | 49.7 | 82% | 0.824 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -111.6 | -13.4 | -175.3 | 64.6 | 0 | 0 | 0 | 0 | 114.7 | S202 | S202-C204 PolarHBondContact O-N 2.97Å; S202-C204 PolarHBondContact OG-N 3.14Å; S202-C204 PolarHBondContact OG-SG 2.98Å |
| 205 | D | 96.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.193 | 28% | 0.275 | C | S | . | . | trans | -141.9 | 111.5 | 174.4 | -177.2 | -14.4 | 0 | 0 | 0 | 108.9 | S202 W207 L208 R222 | S202-D205 WeakPolarHBondContact CB-O 3.38Å; S202-D205 PolarHBondContact OG-N 2.98Å; D205-W207 PolarHBondContact O-N 3.49Å; D205-W207 WeakPolarHBondContact OD1-CB 3.31Å; D205-W207 PolarHBondContact OD1-N 3.01Å; D205-L208 HydrophobicContact CB-CB 4.14Å; D205-L208 HydrophobicContact CB-CD1 3.82Å; D205-L208 HydrophobicContact CB-CG 4.03Å; D205-L208 PolarHBondContact O-N 2.66Å; D205-L208 WeakPolarHBondContact OD2-CD1 3.37Å; D205-L208 WeakPolarHBondContact OD2-CG 3.31Å; D205-R222 IonicContact OD2-NH2 3.2Å | ||
| 206 | P | 96.3 | Very high | 97.6 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6.4 | -176.9 | 28.6 | -35.4 | 0 | 0 | 0 | 113.4 | N139 V141 W201 | N139-P206 PolarHBondContact ND2-O 3.35Å; V141-P206 HydrophobicContact CB-CB 4Å; V141-P206 HydrophobicContact CG2-CB 3.88Å; V141-P206 HydrophobicContact CG2-CG 4.45Å; W201-P206 WeakPolarHBondContact CZ3-O 3.05Å |
| 207 | W | 97.8 | Very high | 97.5 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -2.4 | 178.4 | -50.2 | 104.1 | 0 | 0 | 0 | 113.4 | H142 L145 D205 R222 V223 K228 V231 L232 | H142-W207 AromaticContact CD2-CH2 3.43Å; H142-W207 VanDerWaalsContact CD2-CH2 3.43Å; H142-W207 WeakPolarHBondContact CD2-CH2 3.32Å; H142-W207 AromaticContact CD2-CZ2 3.65Å; H142-W207 AromaticContact NE2-CH2 3.39Å; H142-W207 WeakPolarHBondContact NE2-CH2 3.44Å; H142-W207 AromaticContact NE2-CZ2 3.21Å; H142-W207 WeakPolarHBondContact NE2-CZ2 3.22Å; L145-W207 HydrophobicContact CD1-CZ3 4.14Å; D205-W207 PolarHBondContact O-N 3.49Å; D205-W207 WeakPolarHBondContact OD1-CB 3.31Å; D205-W207 PolarHBondContact OD1-N 3.01Å; W207-R222 HydrophobicContact CB-CG 4.33Å; W207-R222 CarbonylContact O-C 3.49Å; W207-R222 VanDerWaalsContact O-CA 3.29Å; W207-R222 WeakPolarHBondContact O-CA 3.38Å; W207-R222 WeakPolarHBondContact O-CG 3.48Å; W207-V223 HydrophobicContact CB-CB 4.42Å; W207-V223 HydrophobicContact CE3-CB 3.91Å; W207-V223 HydrophobicContact CE3-CG1 3.87Å; W207-V223 HydrophobicContact CE3-CG2 4.19Å; W207-V223 HydrophobicContact CZ3-CG1 4.23Å; W207-V223 PolarHBondContact O-N 3.45Å; W207-K228 HydrophobicContact CD2-CB 4.25Å; W207-K228 HydrophobicContact CD2-CD 3.68Å; W207-K228 HydrophobicContact CD2-CG 3.89Å; W207-K228 HydrophobicContact CE3-CB 3.86Å; W207-K228 HydrophobicContact CE3-CD 4.18Å; W207-K228 HydrophobicContact CE3-CG 3.97Å; W207-K228 HydrophobicContact CG-CD 3.94Å; W207-K228 HydrophobicContact CH2-CB 4.18Å; W207-K228 HydrophobicContact CH2-CG 3.84Å; W207-K228 HydrophobicContact CZ2-CD 4.18Å; W207-K228 HydrophobicContact CZ2-CG 3.78Å; W207-K228 HydrophobicContact CZ3-CB 3.82Å; W207-K228 HydrophobicContact CZ3-CG 3.94Å; W207-V231 HydrophobicContact CH2-CB 4.06Å; W207-V231 HydrophobicContact CH2-CG1 3.75Å; W207-V231 HydrophobicContact CZ3-CB 4.41Å; W207-V231 HydrophobicContact CZ3-CG1 4.34Å; W207-L232 HydrophobicContact CH2-CD2 4.39Å; W207-L232 HydrophobicContact CH2-CG 4.16Å; W207-L232 HydrophobicContact CZ2-CD1 4Å; W207-L232 HydrophobicContact CZ2-CD2 3.95Å; W207-L232 HydrophobicContact CZ2-CG 3.91Å |
| 208 | L | 98.3 | Very high | 97.6 | Very high | 53 Ų | 53 | 56.1 Ų | 56.1 | 28% | 0.277 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.8 | 179.6 | -70.7 | 176.1 | 0 | 0 | 0 | 111.2 | S202 D205 R222 | S202-L208 VanDerWaalsContact CB-O 3.31Å; S202-L208 WeakPolarHBondContact CB-O 3.2Å; S202-L208 PolarHBondContact N-O 3.1Å; D205-L208 HydrophobicContact CB-CB 4.14Å; D205-L208 HydrophobicContact CB-CD1 3.82Å; D205-L208 HydrophobicContact CB-CG 4.03Å; D205-L208 PolarHBondContact O-N 2.66Å; D205-L208 WeakPolarHBondContact OD2-CD1 3.37Å; D205-L208 WeakPolarHBondContact OD2-CG 3.31Å; L208-R222 HydrophobicContact CD2-CB 3.91Å; L208-R222 HydrophobicContact CD2-CG 3.86Å |
| 209 | F | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 161.8 | 173.2 | 60.4 | -90.6 | 0 | 0 | 0 | 110.4 | L147 V155 Y189 E200 W201 S221 V223 | L147-F209 HydrophobicContact CD1-CB 3.36Å; L147-F209 HydrophobicContact CD1-CD1 4.07Å; L147-F209 HydrophobicContact CD1-CD2 3.78Å; L147-F209 HydrophobicContact CD1-CG 3.48Å; L147-F209 VanDerWaalsContact CD1-CG 3.48Å; L147-F209 HydrophobicContact CD2-CD1 4.15Å; L147-F209 HydrophobicContact CD2-CD2 3.99Å; L147-F209 HydrophobicContact CD2-CE1 4.13Å; L147-F209 HydrophobicContact CD2-CE2 3.95Å; L147-F209 HydrophobicContact CD2-CG 4.08Å; L147-F209 HydrophobicContact CD2-CZ 4.03Å; L147-F209 HydrophobicContact CG-CG 4.43Å; V155-F209 HydrophobicContact CG1-CE2 4.07Å; Y189-F209 HydrophobicContact CD1-CZ 4.33Å; Y189-F209 AromaticContact CD2-CZ 4Å; Y189-F209 HydrophobicContact CD2-CZ 4Å; Y189-F209 AromaticContact CE1-CZ 3.89Å; Y189-F209 HydrophobicContact CE1-CZ 3.89Å; Y189-F209 HydrophobicContact CE2-CE1 4.31Å; Y189-F209 HydrophobicContact CE2-CE2 4.46Å; Y189-F209 AromaticContact CE2-CZ 3.55Å; Y189-F209 HydrophobicContact CE2-CZ 3.55Å; Y189-F209 HydrophobicContact CG-CZ 4.38Å; Y189-F209 AromaticContact CZ-CZ 3.47Å; Y189-F209 VanDerWaalsContact CZ-CZ 3.47Å; E200-F209 CarbonylContact O-C 3.53Å; E200-F209 VanDerWaalsContact O-CA 3.26Å; E200-F209 WeakPolarHBondContact O-CA 3.14Å; E200-F209 VanDerWaalsContact O-CB 3.31Å; E200-F209 WeakPolarHBondContact O-CB 3.24Å; W201-F209 HydrophobicContact CD2-CB 4.37Å; W201-F209 HydrophobicContact CE3-CB 3.97Å; W201-F209 HydrophobicContact CE3-CD1 4.27Å; W201-F209 HydrophobicContact CZ3-CB 4.48Å; W201-F209 AromaticContact CZ3-CD1 3.93Å; W201-F209 HydrophobicContact CZ3-CD1 3.93Å; F209-S221 PolarHBondContact N-O 3.21Å; F209-S221 PolarHBondContact O-N 3.39Å; F209-V223 HydrophobicContact CE1-CG2 4.41Å |
| 210 | A | 98.5 | Very high | 97.6 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 26% | 0.256 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | C199 E200 L218 V219 V220 | C199-A210 CarbonylContact C-O 3.5Å; C199-A210 VanDerWaalsContact CA-O 3.26Å; C199-A210 WeakPolarHBondContact CA-O 3.31Å; E200-A210 PolarHBondContact N-O 3.02Å; E200-A210 PolarHBondContact O-N 2.97Å; A210-L218 HydrophobicContact CB-CD1 4.1Å; A210-V219 CarbonylContact C-O 3.55Å; A210-V219 VanDerWaalsContact CA-O 3.23Å; A210-V219 WeakPolarHBondContact CA-O 3.22Å; A210-V220 HydrophobicContact CB-CG2 4.28Å |
| 211 | S | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.028 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 146.2 | 176.2 | 52 | 0 | 0 | 0 | 0 | 112.1 | H192 C198 L218 V219 | H192-S211 PolarHBondContact CE1-O 3.2Å; H192-S211 WeakPolarHBondContact NE2-CB 3Å; H192-S211 PolarHBondContact NE2-OG 3.32Å; C198-S211 CarbonylContact O-C 3.47Å; C198-S211 VanDerWaalsContact O-CA 3.22Å; C198-S211 WeakPolarHBondContact O-CA 3.41Å; S211-L218 WeakPolarHBondContact O-CA 3.48Å; S211-V219 PolarHBondContact N-O 3.35Å; S211-V219 PolarHBondContact O-N 2.73Å |
| 212 | L | 98.6 | Very high | 97.6 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 41% | 0.414 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.3 | -175.3 | -178.5 | 68.7 | 0 | 0 | 0 | 110.8 | Y197 C198 R217 L218 | Y197-L212 PolarHBondContact N-O 3.12Å; C198-L212 HydrophobicContact CB-CB 4.32Å; C198-L212 PolarHBondContact N-O 3.2Å; C198-L212 PolarHBondContact O-N 3.26Å; L212-R217 WeakPolarHBondContact CA-O 3.41Å; L212-L218 HydrophobicContact CD1-CB 4.38Å |
| 213 | S | 98.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 169.9 | 177.3 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | H192 S195 D215 G216 R217 | H192-S213 WeakPolarHBondContact ND1-CB 3.29Å; H192-S213 PolarHBondContact ND1-OG 3.36Å; S195-S213 CarbonylContact O-C 3.54Å; S195-S213 WeakPolarHBondContact O-CA 3.25Å; S195-S213 WeakPolarHBondContact O-CB 3.1Å; S213-D215 VanDerWaalsContact C-N 3.29Å; S213-D215 WeakPolarHBondContact CB-OD1 3.22Å; S213-D215 PolarHBondContact O-N 3.04Å; S213-D215 PolarHBondContact OG-OD1 2.8Å; S213-G216 PolarHBondContact O-N 3.1Å; S213-R217 PolarHBondContact N-O 3.08Å; S213-R217 VanDerWaalsContact N-O 3.13Å; S213-R217 WeakPolarHBondContact OG-CB 3.48Å; S213-R217 PolarHBondContact OG-O 2.97Å |
| 214 | Y | 97.8 | Very high | 97.7 | Very high | 163 Ų | 163 | 56.7 Ų | 56.7 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -41.6 | -179.5 | -176.3 | -123 | 0 | 0 | 0 | 114.1 | S195 Y197 G216 | S195-Y214 PolarHBondContact O-N 3.15Å; Y197-Y214 AromaticContact CE2-CD2 3.57Å; Y197-Y214 HydrophobicContact CE2-CD2 3.57Å; Y197-Y214 AromaticContact CE2-CG 3.96Å; Y197-Y214 HydrophobicContact CE2-CG 3.96Å; Y214-G216 PolarHBondContact O-N 2.81Å |
| 215 | D | 97 | Very high | 97.7 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 0.4 | -180 | 66.5 | -18.4 | 0 | 0 | 0 | 113.7 | E194 S213 R217 | E194-D215 HydrophobicContact CG-CB 4.34Å; S213-D215 VanDerWaalsContact C-N 3.29Å; S213-D215 WeakPolarHBondContact CB-OD1 3.22Å; S213-D215 PolarHBondContact O-N 3.04Å; S213-D215 PolarHBondContact OG-OD1 2.8Å; D215-R217 WeakPolarHBondContact OD1-CB 3.42Å; D215-R217 PolarHBondContact OD1-N 3.07Å; D215-R217 VanDerWaalsContact OD1-N 3.15Å |
| 216 | G | 96.5 | Very high | 97.5 | Very high | 54 Ų | 54 | 63.2 Ų | 63.2 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | trans | 84.9 | 6.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S213 Y214 L218 | S213-G216 PolarHBondContact O-N 3.1Å; Y214-G216 PolarHBondContact O-N 2.81Å; G216-L218 PolarHBondContact O-N 2.9Å | ||
| 217 | R | 97.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 61.6 Ų | 61.6 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | trans | -72.4 | 121 | 176.7 | -176.4 | 177.9 | -179.5 | 157.4 | -7.1 | 110.7 | D191 H192 E193 L212 S213 D215 V219 | D191-R217 PolarHBondContact O-NE 2.76Å; D191-R217 PolarHBondContact O-NH2 2.6Å; H192-R217 PolarHBondContact CE1-O 3.03Å; H192-R217 VanDerWaalsContact CE1-O 3.29Å; E193-R217 IonicContact OE1-NH1 3.13Å; E193-R217 PolarHBondContact OE1-NH1 2.74Å; E193-R217 VanDerWaalsContact OE1-NH1 3.13Å; L212-R217 WeakPolarHBondContact CA-O 3.41Å; S213-R217 PolarHBondContact N-O 3.08Å; S213-R217 VanDerWaalsContact N-O 3.13Å; S213-R217 WeakPolarHBondContact OG-CB 3.48Å; S213-R217 PolarHBondContact OG-O 2.97Å; D215-R217 WeakPolarHBondContact OD1-CB 3.42Å; D215-R217 PolarHBondContact OD1-N 3.07Å; D215-R217 VanDerWaalsContact OD1-N 3.15Å; R217-V219 HydrophobicContact CG-CG2 4.17Å | ||
| 218 | L | 98.1 | Very high | 97.2 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 60% | 0.602 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.5 | 171.7 | 178.3 | 68.1 | 0 | 0 | 0 | 109.5 | A210 S211 L212 G216 | A210-L218 HydrophobicContact CB-CD1 4.1Å; S211-L218 WeakPolarHBondContact O-CA 3.48Å; L212-L218 HydrophobicContact CD1-CB 4.38Å; G216-L218 PolarHBondContact O-N 2.9Å |
| 219 | V | 98.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.4 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | D191 A210 S211 R217 | D191-V219 HydrophobicContact CB-CG1 4.02Å; D191-V219 HydrophobicContact CB-CG2 4.12Å; A210-V219 CarbonylContact C-O 3.55Å; A210-V219 VanDerWaalsContact CA-O 3.23Å; A210-V219 WeakPolarHBondContact CA-O 3.22Å; S211-V219 PolarHBondContact N-O 3.35Å; S211-V219 PolarHBondContact O-N 2.73Å; R217-V219 HydrophobicContact CG-CG2 4.17Å |
| 220 | V | 98.2 | Very high | 96.5 | Very high | 101 Ų | 101 | 72.3 Ų | 72.3 | 61% | 0.612 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.9 | 170.5 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | A210 | A210-V220 HydrophobicContact CB-CG2 4.28Å |
| 221 | S | 98.2 | Very high | 96.2 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 160.8 | -173.6 | -79.9 | 0 | 0 | 0 | 0 | 111.5 | F209 | F209-S221 PolarHBondContact N-O 3.21Å; F209-S221 PolarHBondContact O-N 3.39Å |
| 222 | R | 97.7 | Very high | 95.7 | Very high | 128 Ų | 128 | 74.2 Ų | 74.2 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143 | 177.6 | -160.9 | 179 | -164.7 | 165.3 | 10.8 | 111 | Y189 D205 W207 L208 | Y189-R222 PolarHBondContact OH-O 2.91Å; D205-R222 IonicContact OD2-NH2 3.2Å; W207-R222 HydrophobicContact CB-CG 4.33Å; W207-R222 CarbonylContact O-C 3.49Å; W207-R222 VanDerWaalsContact O-CA 3.29Å; W207-R222 WeakPolarHBondContact O-CA 3.38Å; W207-R222 WeakPolarHBondContact O-CG 3.48Å; L208-R222 HydrophobicContact CD2-CB 3.91Å; L208-R222 HydrophobicContact CD2-CG 3.86Å |
| 223 | V | 97.7 | Very high | 95 | Very high | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | trans | -56.4 | 132 | 166.5 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | L157 W201 W207 F209 A227 | L157-V223 HydrophobicContact CD2-CB 4.38Å; L157-V223 HydrophobicContact CD2-CG1 3.99Å; L157-V223 HydrophobicContact CD2-CG2 4.08Å; W201-V223 HydrophobicContact CH2-CG2 3.81Å; W201-V223 HydrophobicContact CZ3-CG2 3.68Å; W207-V223 HydrophobicContact CB-CB 4.42Å; W207-V223 HydrophobicContact CE3-CB 3.91Å; W207-V223 HydrophobicContact CE3-CG1 3.87Å; W207-V223 HydrophobicContact CE3-CG2 4.19Å; W207-V223 HydrophobicContact CZ3-CG1 4.23Å; W207-V223 PolarHBondContact O-N 3.45Å; F209-V223 HydrophobicContact CE1-CG2 4.41Å; V223-A227 HydrophobicContact CG1-CB 3.99Å | ||
| 224 | P | 96.6 | Very high | 94.1 | Very high | 25 Ų | 25 | 83.8 Ų | 83.8 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | trans | -61.3 | 144.8 | -179 | -23.2 | 35.5 | 0 | 0 | 0 | 111.9 | K187 Y189 Y226 A227 K228 | K187-P224 HydrophobicContact CB-CG 4.05Å; K187-P224 HydrophobicContact CG-CG 4.08Å; Y189-P224 WeakPolarHBondContact OH-CD 3.43Å; P224-Y226 VanDerWaalsContact C-N 3.28Å; P224-Y226 HydrophobicContact CB-CD1 3.56Å; P224-Y226 HydrophobicContact CB-CE1 3.26Å; P224-Y226 HydrophobicContact CG-CE1 3.85Å; P224-Y226 PolarHBondContact O-N 2.65Å; P224-A227 PolarHBondContact O-N 3.14Å; P224-K228 PolarHBondContact O-N 3.07Å | ||
| 225 | R | 95.3 | Very high | 93.9 | Very high | 183 Ų | 183 | 79.9 Ų | 79.9 | 69% | 0.691 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -54.8 | -41.4 | -177.9 | -70.1 | -173.6 | -178 | 177.2 | 0.5 | 113.1 | A227 K228 Y229 | R225-A227 VanDerWaalsContact C-N 3.3Å; R225-A227 PolarHBondContact O-N 3.32Å; R225-K228 WeakPolarHBondContact O-CB 3.48Å; R225-K228 PolarHBondContact O-N 3.36Å; R225-Y229 HydrophobicContact CB-CD2 4.43Å; R225-Y229 HydrophobicContact CB-CE2 3.9Å; R225-Y229 WeakPolarHBondContact O-CB 3.47Å; R225-Y229 WeakPolarHBondContact O-CD2 3.32Å; R225-Y229 PolarHBondContact O-N 2.85Å |
| 226 | Y | 93.3 | Very high | 93.7 | Very high | 112 Ų | 112 | 79.7 Ų | 79.7 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 179.6 | 76.7 | -95.6 | 0 | 0 | 0 | 112.4 | V186 P224 R230 | V186-Y226 HydrophobicContact CG1-CE2 4.34Å; V186-Y226 PolarHBondContact O-OH 3.34Å; P224-Y226 VanDerWaalsContact C-N 3.28Å; P224-Y226 HydrophobicContact CB-CD1 3.56Å; P224-Y226 HydrophobicContact CB-CE1 3.26Å; P224-Y226 HydrophobicContact CG-CE1 3.85Å; P224-Y226 PolarHBondContact O-N 2.65Å; Y226-R230 WeakPolarHBondContact O-CG 3.36Å; Y226-R230 PolarHBondContact O-N 3.29Å; Y226-R230 VanDerWaalsContact O-N 3.14Å |
| 227 | A | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L181 V186 V223 P224 R225 Y229 R230 V231 | L181-A227 HydrophobicContact CD1-CB 4.42Å; V186-A227 HydrophobicContact CG1-CB 3.49Å; V186-A227 VanDerWaalsContact CG1-CB 3.49Å; V223-A227 HydrophobicContact CG1-CB 3.99Å; P224-A227 PolarHBondContact O-N 3.14Å; R225-A227 VanDerWaalsContact C-N 3.3Å; R225-A227 PolarHBondContact O-N 3.32Å; A227-Y229 VanDerWaalsContact C-N 3.33Å; A227-Y229 PolarHBondContact O-N 3.25Å; A227-R230 PolarHBondContact O-N 2.83Å; A227-V231 WeakPolarHBondContact O-CG2 3.4Å; A227-V231 PolarHBondContact O-N 3.13Å |
| 228 | K | 93.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 80 Ų | 80 | 21% | 0.213 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.2 | -46.5 | 172.5 | 170.1 | 170.9 | -177.5 | 165.1 | 0 | 112.2 | W207 P224 R225 V231 L232 | W207-K228 HydrophobicContact CD2-CB 4.25Å; W207-K228 HydrophobicContact CD2-CD 3.68Å; W207-K228 HydrophobicContact CD2-CG 3.89Å; W207-K228 HydrophobicContact CE3-CB 3.86Å; W207-K228 HydrophobicContact CE3-CD 4.18Å; W207-K228 HydrophobicContact CE3-CG 3.97Å; W207-K228 HydrophobicContact CG-CD 3.94Å; W207-K228 HydrophobicContact CH2-CB 4.18Å; W207-K228 HydrophobicContact CH2-CG 3.84Å; W207-K228 HydrophobicContact CZ2-CD 4.18Å; W207-K228 HydrophobicContact CZ2-CG 3.78Å; W207-K228 HydrophobicContact CZ3-CB 3.82Å; W207-K228 HydrophobicContact CZ3-CG 3.94Å; P224-K228 PolarHBondContact O-N 3.07Å; R225-K228 WeakPolarHBondContact O-CB 3.48Å; R225-K228 PolarHBondContact O-N 3.36Å; K228-V231 PolarHBondContact O-N 2.53Å; K228-L232 HydrophobicContact CD-CD1 4.47Å; K228-L232 HydrophobicContact CG-CD1 3.84Å; K228-L232 HydrophobicContact CG-CG 4.46Å; K228-L232 WeakPolarHBondContact O-CB 3.45Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.24Å; K228-L232 PolarHBondContact O-N 3.06Å |
| 229 | Y | 92.6 | Very high | 93.1 | Very high | 109 Ų | 109 | 77.8 Ų | 77.8 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 179.4 | -67.9 | -25.6 | 0 | 0 | 0 | 112.5 | R225 A227 L232 Q233 I234 | R225-Y229 HydrophobicContact CB-CD2 4.43Å; R225-Y229 HydrophobicContact CB-CE2 3.9Å; R225-Y229 WeakPolarHBondContact O-CB 3.47Å; R225-Y229 WeakPolarHBondContact O-CD2 3.32Å; R225-Y229 PolarHBondContact O-N 2.85Å; A227-Y229 VanDerWaalsContact C-N 3.33Å; A227-Y229 PolarHBondContact O-N 3.25Å; Y229-L232 CarbonylContact O-C 3.55Å; Y229-L232 PolarHBondContact O-N 3.33Å; Y229-Q233 PolarHBondContact O-N 3.13Å; Y229-I234 WeakPolarHBondContact CB-OXT 3.34Å; Y229-I234 PolarHBondContact O-N 3.15Å; Y229-I234 VanDerWaalsContact O-N 3.13Å |
| 230 | R | 91.3 | Very high | 92.7 | Very high | 139 Ų | 139 | 81.7 Ų | 81.7 | 53% | 0.525 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.9 | -72.5 | -175.1 | 179.4 | -173 | -1 | 113.6 | L181 Y226 A227 L232 Q233 | L181-R230 HydrophobicContact CD2-CB 4.06Å; L181-R230 HydrophobicContact CD2-CG 4.46Å; L181-R230 HydrophobicContact CG-CB 3.94Å; Y226-R230 WeakPolarHBondContact O-CG 3.36Å; Y226-R230 PolarHBondContact O-N 3.29Å; Y226-R230 VanDerWaalsContact O-N 3.14Å; A227-R230 PolarHBondContact O-N 2.83Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-Q233 PolarHBondContact O-N 3.29Å |
| 231 | V | 90.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.036 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.4 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | H142 Q144 L145 L181 W207 A227 K228 Q233 | H142-V231 HydrophobicContact CB-CG1 4.01Å; H142-V231 WeakPolarHBondContact ND1-CG1 3.17Å; Q144-V231 HydrophobicContact CG-CG2 4.31Å; L145-V231 HydrophobicContact CD1-CG2 4.28Å; L145-V231 HydrophobicContact CD2-CG2 4.17Å; L145-V231 HydrophobicContact CG-CG2 4.29Å; L181-V231 HydrophobicContact CD1-CG2 3.64Å; W207-V231 HydrophobicContact CH2-CB 4.06Å; W207-V231 HydrophobicContact CH2-CG1 3.75Å; W207-V231 HydrophobicContact CZ3-CB 4.41Å; W207-V231 HydrophobicContact CZ3-CG1 4.34Å; A227-V231 WeakPolarHBondContact O-CG2 3.4Å; A227-V231 PolarHBondContact O-N 3.13Å; K228-V231 PolarHBondContact O-N 2.53Å; V231-Q233 VanDerWaalsContact C-N 3.25Å; V231-Q233 PolarHBondContact O-N 3.22Å |
| 232 | L | 89.7 | Confident | 91.9 | Very high | 69 Ų | 69 | 85.4 Ų | 85.4 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -79.5 | -6.9 | 178.8 | -67 | 177.4 | 0 | 0 | 0 | 113.8 | W207 K228 Y229 R230 I234 | W207-L232 HydrophobicContact CH2-CD2 4.39Å; W207-L232 HydrophobicContact CH2-CG 4.16Å; W207-L232 HydrophobicContact CZ2-CD1 4Å; W207-L232 HydrophobicContact CZ2-CD2 3.95Å; W207-L232 HydrophobicContact CZ2-CG 3.91Å; K228-L232 HydrophobicContact CD-CD1 4.47Å; K228-L232 HydrophobicContact CG-CD1 3.84Å; K228-L232 HydrophobicContact CG-CG 4.46Å; K228-L232 WeakPolarHBondContact O-CB 3.45Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.24Å; K228-L232 PolarHBondContact O-N 3.06Å; Y229-L232 CarbonylContact O-C 3.55Å; Y229-L232 PolarHBondContact O-N 3.33Å; R230-L232 VanDerWaalsContact C-N 3.34Å; L232-I234 HydrophobicContact CB-CD1 4.08Å; L232-I234 HydrophobicContact CB-CG1 4.26Å; L232-I234 PolarHBondContact O-N 3.37Å |
| 233 | Q | 83.2 | Confident | 91.4 | Very high | 117 Ų | 117 | 81.8 Ų | 81.8 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 37.8 | -174 | -54.7 | 179.9 | -4.2 | 0 | 0 | 113.3 | Y229 R230 V231 | Y229-Q233 PolarHBondContact O-N 3.13Å; R230-Q233 PolarHBondContact O-N 3.29Å; V231-Q233 VanDerWaalsContact C-N 3.25Å; V231-Q233 PolarHBondContact O-N 3.22Å |
| 234 | I | 79.1 | Confident | 90.8 | Very high | 169 Ų | 169 | 88.9 Ų | 88.9 | 87% | 0.867 | 39% | 0.388 | S | S | * | . | trans | -120.9 | 0 | 176.6 | -57 | 166.5 | 0 | 0 | 0 | 108.8 | Y229 L232 | Y229-I234 WeakPolarHBondContact CB-OXT 3.34Å; Y229-I234 PolarHBondContact O-N 3.15Å; Y229-I234 VanDerWaalsContact O-N 3.13Å; L232-I234 HydrophobicContact CB-CD1 4.08Å; L232-I234 HydrophobicContact CB-CG1 4.26Å; L232-I234 PolarHBondContact O-N 3.37Å |
Retrieved 234 of 234 residues in 130.5 ms
(Link to these results)