| 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 | 93.2 | Very high | 93.1 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | 0 | 145.1 | 0 | -70 | -60.4 | -72.9 | 0 | 0 | 109.9 | R8 I9 R10 D135 | M1-R8 HydrophobicContact CE-CB 3.86Å; M1-I9 CarbonylContact C-O 3.59Å; M1-I9 WeakPolarHBondContact CA-O 3.36Å; M1-I9 VanDerWaalsContact CE-O 3.3Å; M1-I9 WeakPolarHBondContact CE-O 3.1Å; M1-R10 HydrophobicContact CE-CG 4.31Å; M1-R10 HydrophobicContact SD-CB 4.29Å; M1-R10 HydrophobicContact SD-CG 3.51Å; M1-R10 VanDerWaalsContact SD-CG 3.51Å; M1-D135 WeakPolarHBondContact CA-OD1 3.49Å; M1-D135 WeakPolarHBondContact CB-OD1 3.44Å; M1-D135 PolarHBondContact N-OD1 2.89Å; M1-D135 PolarHBondContact N-OD2 2.87Å; M1-D135 PolarHBondContact O-N 3.48Å | |||
| 2 | L | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 152.8 | 172.6 | -58.6 | 179.5 | 0 | 0 | 0 | 109.6 | R8 I9 I11 L14 V20 L132 L133 V134 | L2-R8 CarbonylContact O-C 3.58Å; L2-R8 VanDerWaalsContact O-CA 3.26Å; L2-R8 WeakPolarHBondContact O-CA 3.26Å; L2-I9 HydrophobicContact CB-CG1 4.12Å; L2-I9 PolarHBondContact N-O 3.3Å; L2-I9 PolarHBondContact O-N 2.95Å; L2-I11 HydrophobicContact CD1-CB 4.17Å; L2-I11 HydrophobicContact CD1-CD1 4.46Å; L2-I11 HydrophobicContact CD1-CG1 3.94Å; L2-I11 HydrophobicContact CD2-CD1 4.42Å; L2-I11 HydrophobicContact CG-CB 4.23Å; L2-I11 HydrophobicContact CG-CG1 4.38Å; L2-L14 HydrophobicContact CD1-CB 4.21Å; L2-L14 HydrophobicContact CD1-CD1 4.01Å; L2-L14 HydrophobicContact CD1-CD2 3.65Å; L2-L14 HydrophobicContact CD1-CG 4.2Å; L2-V20 HydrophobicContact CD1-CG1 4.03Å; L2-L132 HydrophobicContact CD2-CD1 3.97Å; L2-L133 WeakPolarHBondContact CD2-O 3.48Å; L2-V134 HydrophobicContact CD2-CB 4.36Å; L2-V134 HydrophobicContact CD2-CG2 3.79Å |
| 3 | V | 93.5 | Very high | 93 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.6 | 169.1 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | R8 V20 A21 Y31 | V3-R8 HydrophobicContact CG2-CG 4.09Å; V3-V20 CarbonylContact O-C 3.57Å; V3-V20 WeakPolarHBondContact O-CA 3Å; V3-A21 HydrophobicContact CB-CB 3.74Å; V3-A21 HydrophobicContact CG1-CB 4.05Å; V3-A21 WeakPolarHBondContact O-CB 3.46Å; V3-A21 PolarHBondContact O-N 3.47Å; V3-Y31 HydrophobicContact CG1-CE1 4.49Å |
| 4 | T | 94 | Very high | 93.1 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -114.8 | 179.5 | 173.6 | 69.5 | 0 | 0 | 0 | 0 | 109.5 | S6 G7 I9 E19 V20 Y31 | T4-S6 PolarHBondContact O-N 3.04Å; T4-S6 PolarHBondContact OG1-N 3.4Å; T4-S6 PolarHBondContact OG1-OG 3.3Å; T4-G7 PolarHBondContact N-O 3.3Å; T4-G7 PolarHBondContact OG1-N 2.87Å; T4-G7 PolarHBondContact OG1-O 2.72Å; T4-I9 HydrophobicContact CG2-CD1 3.64Å; T4-I9 HydrophobicContact CG2-CG1 3.81Å; T4-I9 HydrophobicContact CG2-CG2 4.48Å; T4-E19 VanDerWaalsContact CA-O 3.32Å; T4-E19 WeakPolarHBondContact CA-O 2.9Å; T4-E19 WeakPolarHBondContact CB-O 3.15Å; T4-V20 HydrophobicContact CG2-CG1 4.35Å; T4-Y31 WeakPolarHBondContact O-CE1 3.41Å |
| 5 | R | 89.7 | Confident | 93.1 | Very high | 152 Ų | 152 | 69.3 Ų | 69.3 | 57% | 0.574 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -65 | -29.7 | 173.2 | -66.1 | -168.2 | -172.5 | -82.9 | 0.3 | 113.1 | E19 Y31 | R5-E19 WeakPolarHBondContact CD-OE2 3.23Å; R5-E19 IonicContact CZ-OE1 3.27Å; R5-E19 IonicContact CZ-OE2 3.96Å; R5-E19 VanDerWaalsContact NE-CD 3.27Å; R5-E19 IonicContact NE-OE1 2.98Å; R5-E19 PolarHBondContact NE-OE1 2.04Å; R5-E19 IonicContact NE-OE2 3.88Å; R5-E19 PolarHBondContact NE-OE2 3.04Å; R5-E19 IonicContact NH2-OE1 2.6Å; R5-E19 PolarHBondContact NH2-OE1 2.87Å; R5-E19 IonicContact NH2-OE2 3.62Å; R5-Y31 HydrophobicContact CG-CD1 3.81Å; R5-Y31 HydrophobicContact CG-CD2 4.14Å; R5-Y31 HydrophobicContact CG-CE1 4.08Å; R5-Y31 HydrophobicContact CG-CE2 4.37Å; R5-Y31 HydrophobicContact CG-CG 3.84Å |
| 6 | S | 89.4 | Confident | 93.2 | Very high | 114 Ų | 114 | 66.6 Ų | 66.6 | 80% | 0.797 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -89.4 | -12.4 | -178 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | T4 | T4-S6 PolarHBondContact O-N 3.04Å; T4-S6 PolarHBondContact OG1-N 3.4Å; T4-S6 PolarHBondContact OG1-OG 3.3Å |
| 7 | G | 90.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 64.3 Ų | 64.3 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | trans | 144.7 | -154.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | T4 | T4-G7 PolarHBondContact N-O 3.3Å; T4-G7 PolarHBondContact OG1-N 2.87Å; T4-G7 PolarHBondContact OG1-O 2.72Å | ||
| 8 | R | 93.4 | Very high | 93.3 | Very high | 142 Ų | 142 | 63.8 Ų | 63.8 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 132.6 | 176.5 | -73.8 | -175.6 | 174.3 | 116.1 | 2.5 | 110.4 | M1 L2 V3 | M1-R8 HydrophobicContact CE-CB 3.86Å; L2-R8 CarbonylContact O-C 3.58Å; L2-R8 VanDerWaalsContact O-CA 3.26Å; L2-R8 WeakPolarHBondContact O-CA 3.26Å; V3-R8 HydrophobicContact CG2-CG 4.09Å |
| 9 | I | 95.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 63.6 Ų | 63.6 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 157.8 | 176.8 | 68.9 | 171.5 | 0 | 0 | 0 | 111.4 | M1 L2 T4 L14 | M1-I9 CarbonylContact C-O 3.59Å; M1-I9 WeakPolarHBondContact CA-O 3.36Å; M1-I9 VanDerWaalsContact CE-O 3.3Å; M1-I9 WeakPolarHBondContact CE-O 3.1Å; L2-I9 HydrophobicContact CB-CG1 4.12Å; L2-I9 PolarHBondContact N-O 3.3Å; L2-I9 PolarHBondContact O-N 2.95Å; T4-I9 HydrophobicContact CG2-CD1 3.64Å; T4-I9 HydrophobicContact CG2-CG1 3.81Å; T4-I9 HydrophobicContact CG2-CG2 4.48Å; I9-L14 HydrophobicContact CD1-CB 4.09Å; I9-L14 HydrophobicContact CD1-CD1 3.74Å |
| 10 | R | 94.6 | Very high | 93.7 | Very high | 120 Ų | 120 | 60.5 Ų | 60.5 | 45% | 0.453 | 30% | 0.301 | S | S | . | . | trans | -74.7 | 142.5 | 167.6 | -68 | -179.1 | 67 | -135.6 | -0.7 | 108.6 | M1 E12 H13 | M1-R10 HydrophobicContact CE-CG 4.31Å; M1-R10 HydrophobicContact SD-CB 4.29Å; M1-R10 HydrophobicContact SD-CG 3.51Å; M1-R10 VanDerWaalsContact SD-CG 3.51Å; R10-E12 HydrophobicContact CB-CG 4.28Å; R10-E12 IonicContact CZ-OE1 3.1Å; R10-E12 IonicContact CZ-OE2 3.9Å; R10-E12 IonicContact NE-OE2 3.69Å; R10-E12 IonicContact NH1-OE1 3.41Å; R10-E12 PolarHBondContact NH1-OE1 2.85Å; R10-E12 IonicContact NH1-OE2 3.67Å; R10-E12 PolarHBondContact NH1-OE2 3.27Å; R10-E12 IonicContact NH2-OE1 2.62Å; R10-E12 PolarHBondContact NH2-OE1 3.48Å; R10-E12 IonicContact NH2-OE2 2.72Å; R10-E12 PolarHBondContact NH2-OE2 3.48Å; R10-E12 PolarHBondContact O-N 3Å; R10-H13 PolarHBondContact O-N 3.25Å | ||
| 11 | I | 94.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 16% | 0.159 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -58.2 | -33.6 | -176.5 | -171 | 159.9 | 0 | 0 | 0 | 112.1 | L2 H13 L14 W37 Y123 P125 | L2-I11 HydrophobicContact CD1-CB 4.17Å; L2-I11 HydrophobicContact CD1-CD1 4.46Å; L2-I11 HydrophobicContact CD1-CG1 3.94Å; L2-I11 HydrophobicContact CD2-CD1 4.42Å; L2-I11 HydrophobicContact CG-CB 4.23Å; L2-I11 HydrophobicContact CG-CG1 4.38Å; I11-H13 VanDerWaalsContact C-N 3.25Å; I11-H13 PolarHBondContact O-N 2.9Å; I11-L14 VanDerWaalsContact O-CB 3.22Å; I11-L14 WeakPolarHBondContact O-CB 3.41Å; I11-L14 PolarHBondContact O-N 2.79Å; I11-W37 HydrophobicContact CG1-CH2 4.11Å; I11-W37 VanDerWaalsContact O-CH2 3.25Å; I11-W37 WeakPolarHBondContact O-CH2 3.38Å; I11-Y123 HydrophobicContact CG1-CG 4.5Å; I11-Y123 HydrophobicContact CG2-CD2 3.69Å; I11-Y123 HydrophobicContact CG2-CE2 4.39Å; I11-Y123 HydrophobicContact CG2-CG 3.9Å; I11-P125 HydrophobicContact CD1-CG 4.24Å |
| 12 | E | 91.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -68.1 | -20.9 | 179.5 | 72.3 | -163.6 | -135 | 0 | 0 | 114.7 | R10 L14 Y123 | R10-E12 HydrophobicContact CB-CG 4.28Å; R10-E12 IonicContact CZ-OE1 3.1Å; R10-E12 IonicContact CZ-OE2 3.9Å; R10-E12 IonicContact NE-OE2 3.69Å; R10-E12 IonicContact NH1-OE1 3.41Å; R10-E12 PolarHBondContact NH1-OE1 2.85Å; R10-E12 IonicContact NH1-OE2 3.67Å; R10-E12 PolarHBondContact NH1-OE2 3.27Å; R10-E12 IonicContact NH2-OE1 2.62Å; R10-E12 PolarHBondContact NH2-OE1 3.48Å; R10-E12 IonicContact NH2-OE2 2.72Å; R10-E12 PolarHBondContact NH2-OE2 3.48Å; R10-E12 PolarHBondContact O-N 3Å; E12-L14 VanDerWaalsContact C-N 3.35Å; E12-Y123 HydrophobicContact CB-CD1 4.25Å; E12-Y123 HydrophobicContact CB-CE1 3.63Å; E12-Y123 HydrophobicContact CB-CE2 4.4Å |
| 13 | H | 93.5 | Very high | 94.1 | Very high | 116 Ų | 116 | 54.2 Ų | 54.2 | 54% | 0.537 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -90.6 | 1.1 | 177 | -59.2 | 171 | 0 | 0 | 0 | 112.7 | R10 I11 | R10-H13 PolarHBondContact O-N 3.25Å; I11-H13 VanDerWaalsContact C-N 3.25Å; I11-H13 PolarHBondContact O-N 2.9Å |
| 14 | L | 94.1 | Very high | 94 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -72.7 | 136.9 | 178.8 | -178.2 | 79.3 | 0 | 0 | 0 | 110.2 | L2 I9 I11 E12 D18 V20 V34 W37 P125 | L2-L14 HydrophobicContact CD1-CB 4.21Å; L2-L14 HydrophobicContact CD1-CD1 4.01Å; L2-L14 HydrophobicContact CD1-CD2 3.65Å; L2-L14 HydrophobicContact CD1-CG 4.2Å; I9-L14 HydrophobicContact CD1-CB 4.09Å; I9-L14 HydrophobicContact CD1-CD1 3.74Å; I11-L14 VanDerWaalsContact O-CB 3.22Å; I11-L14 WeakPolarHBondContact O-CB 3.41Å; I11-L14 PolarHBondContact O-N 2.79Å; E12-L14 VanDerWaalsContact C-N 3.35Å; L14-D18 HydrophobicContact CD1-CB 3.63Å; L14-D18 HydrophobicContact CG-CB 4.49Å; L14-V20 HydrophobicContact CD1-CG1 3.39Å; L14-V20 HydrophobicContact CD2-CG1 4.27Å; L14-V20 HydrophobicContact CG-CG1 4.46Å; L14-V34 HydrophobicContact CD1-CG2 4.04Å; L14-V34 HydrophobicContact CD2-CG1 4.22Å; L14-V34 HydrophobicContact CD2-CG2 3.78Å; L14-V34 HydrophobicContact CG-CG2 4.11Å; L14-W37 HydrophobicContact CB-CH2 4.3Å; L14-W37 HydrophobicContact CB-CZ2 3.76Å; L14-W37 HydrophobicContact CD2-CH2 4.28Å; L14-W37 HydrophobicContact CD2-CZ2 4.08Å; L14-W37 HydrophobicContact CG-CZ2 4.28Å; L14-W37 WeakPolarHBondContact O-CZ2 3.49Å; L14-W37 PolarHBondContact O-NE1 3.47Å; L14-P125 HydrophobicContact CD2-CB 3.5Å; L14-P125 HydrophobicContact CD2-CG 3.74Å | ||
| 15 | E | 93 | Very high | 93.6 | Very high | 129 Ų | 129 | 59.2 Ų | 59.2 | 60% | 0.603 | 30% | 0.304 | S | S | * | . | trans | -114.5 | 160.2 | -179.7 | -65.2 | -176.3 | 176.9 | 0 | 0 | 111.5 | G17 D18 | E15-G17 PolarHBondContact O-N 3.17Å; E15-D18 PolarHBondContact N-OD2 3.28Å; E15-D18 WeakPolarHBondContact O-CB 3.07Å; E15-D18 PolarHBondContact O-N 2.83Å | ||
| 16 | I | 94.2 | Very high | 93.5 | Very high | 26 Ų | 26 | 58 Ų | 58 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 131.6 | 173.4 | -63.8 | 176.9 | 0 | 0 | 0 | 108.2 | Y168 L184 M188 H189 | I16-Y168 HydrophobicContact CG2-CD2 4.44Å; I16-Y168 HydrophobicContact CG2-CE2 3.86Å; I16-L184 HydrophobicContact CG2-CB 4.3Å; I16-L184 HydrophobicContact CG2-CD1 4.1Å; I16-M188 HydrophobicContact CD1-CB 3.88Å; I16-H189 HydrophobicContact CD1-CB 4.33Å |
| 17 | G | 93.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | -18.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E15 V34 | E15-G17 PolarHBondContact O-N 3.17Å; G17-V34 PolarHBondContact N-O 3.04Å |
| 18 | D | 95.7 | Very high | 93.4 | Very high | 56 Ų | 56 | 58 Ų | 58 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | trans | -59.9 | 151.4 | 172.9 | -79.4 | -20.9 | 0 | 0 | 0 | 111.6 | L14 E15 K33 V34 | L14-D18 HydrophobicContact CD1-CB 3.63Å; L14-D18 HydrophobicContact CG-CB 4.49Å; E15-D18 PolarHBondContact N-OD2 3.28Å; E15-D18 WeakPolarHBondContact O-CB 3.07Å; E15-D18 PolarHBondContact O-N 2.83Å; D18-K33 CarbonylContact O-C 3.55Å; D18-K33 WeakPolarHBondContact O-CA 3.45Å; D18-V34 WeakPolarHBondContact O-CG2 3.36Å; D18-V34 PolarHBondContact O-N 2.75Å | ||
| 19 | E | 97.5 | Very high | 93.4 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.3 | 172.5 | -62.8 | 179.3 | 91 | 0 | 0 | 111.1 | T4 R5 S32 K33 | T4-E19 VanDerWaalsContact CA-O 3.32Å; T4-E19 WeakPolarHBondContact CA-O 2.9Å; T4-E19 WeakPolarHBondContact CB-O 3.15Å; R5-E19 WeakPolarHBondContact CD-OE2 3.23Å; R5-E19 IonicContact CZ-OE1 3.27Å; R5-E19 IonicContact CZ-OE2 3.96Å; R5-E19 VanDerWaalsContact NE-CD 3.27Å; R5-E19 IonicContact NE-OE1 2.98Å; R5-E19 PolarHBondContact NE-OE1 2.04Å; R5-E19 IonicContact NE-OE2 3.88Å; R5-E19 PolarHBondContact NE-OE2 3.04Å; R5-E19 IonicContact NH2-OE1 2.6Å; R5-E19 PolarHBondContact NH2-OE1 2.87Å; R5-E19 IonicContact NH2-OE2 3.62Å; E19-S32 WeakPolarHBondContact CA-O 3.34Å; E19-K33 HydrophobicContact CG-CB 4.41Å |
| 20 | V | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147.8 | -179.6 | -62.9 | 0 | 0 | 0 | 0 | 111 | L2 V3 T4 L14 Y31 S32 V34 T127 L132 | L2-V20 HydrophobicContact CD1-CG1 4.03Å; V3-V20 CarbonylContact O-C 3.57Å; V3-V20 WeakPolarHBondContact O-CA 3Å; T4-V20 HydrophobicContact CG2-CG1 4.35Å; L14-V20 HydrophobicContact CD1-CG1 3.39Å; L14-V20 HydrophobicContact CD2-CG1 4.27Å; L14-V20 HydrophobicContact CG-CG1 4.46Å; V20-Y31 CarbonylContact O-C 3.56Å; V20-Y31 VanDerWaalsContact O-CA 3.31Å; V20-Y31 WeakPolarHBondContact O-CA 3.47Å; V20-S32 PolarHBondContact N-O 2.86Å; V20-S32 PolarHBondContact O-N 3.43Å; V20-V34 HydrophobicContact CG1-CG2 3.95Å; V20-V34 HydrophobicContact CG2-CG2 4.09Å; V20-T127 HydrophobicContact CG2-CG2 3.57Å; V20-L132 HydrophobicContact CG2-CB 3.95Å; V20-L132 HydrophobicContact CG2-CD1 4.39Å |
| 21 | A | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 139.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V3 L29 V30 Y31 L133 | V3-A21 HydrophobicContact CB-CB 3.74Å; V3-A21 HydrophobicContact CG1-CB 4.05Å; V3-A21 WeakPolarHBondContact O-CB 3.46Å; V3-A21 PolarHBondContact O-N 3.47Å; A21-L29 HydrophobicContact CB-CD1 3.97Å; A21-V30 CarbonylContact C-O 3.53Å; A21-V30 WeakPolarHBondContact CA-O 3.2Å; A21-Y31 HydrophobicContact CB-CD1 4.37Å; A21-Y31 HydrophobicContact CB-CE1 4.07Å; A21-L133 HydrophobicContact CB-CB 4.49Å; A21-L133 HydrophobicContact CB-CD1 3.93Å; A21-L133 WeakPolarHBondContact O-CB 3.37Å; A21-L133 PolarHBondContact O-N 2.89Å |
| 22 | D | 97 | Very high | 93.7 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 170.7 | 176.8 | -163.8 | 10.7 | 0 | 0 | 0 | 109.9 | V30 S129 S131 L138 | D22-V30 HydrophobicContact CB-CG2 4.21Å; D22-V30 PolarHBondContact N-O 2.78Å; D22-V30 PolarHBondContact O-N 3.29Å; D22-S129 WeakPolarHBondContact OD2-CB 3.49Å; D22-S129 PolarHBondContact OD2-OG 2.74Å; D22-S131 VanDerWaalsContact CG-OG 3.29Å; D22-S131 PolarHBondContact OD1-OG 3.03Å; D22-S131 VanDerWaalsContact OD1-OG 3.1Å; D22-S131 VanDerWaalsContact OD2-O 3.07Å; D22-S131 PolarHBondContact OD2-OG 2.9Å; D22-L138 WeakPolarHBondContact OD1-CD1 3.16Å |
| 23 | I | 94.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.046 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.5 | -179.1 | -51.9 | -180 | 0 | 0 | 0 | 109.2 | P79 L99 C106 L133 L138 | I23-P79 HydrophobicContact CG2-CG 4.19Å; I23-L99 HydrophobicContact CD1-CB 4.45Å; I23-L99 HydrophobicContact CD1-CD1 4.26Å; I23-C106 HydrophobicContact CD1-CB 3.84Å; I23-C106 HydrophobicContact CG2-CB 3.96Å; I23-L133 HydrophobicContact CD1-CD1 4.24Å; I23-L133 HydrophobicContact CD1-CD2 3.88Å; I23-L133 HydrophobicContact CG1-CD1 3.88Å; I23-L133 HydrophobicContact CG1-CD2 4.16Å; I23-L133 HydrophobicContact CG1-CG 4.27Å; I23-L138 HydrophobicContact CB-CD1 4.39Å |
| 24 | T | 92 | Very high | 94.1 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 24% | 0.239 | 25% | 0.249 | C | C | . | . | trans | -67.6 | 166.6 | 174.5 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | Q26 G27 Q28 V30 P79 | T24-Q26 PolarHBondContact O-N 3.32Å; T24-Q26 PolarHBondContact OG1-N 3.39Å; T24-G27 PolarHBondContact O-N 3.02Å; T24-Q28 HydrophobicContact CG2-CB 4.43Å; T24-Q28 PolarHBondContact N-O 2.79Å; T24-Q28 WeakPolarHBondContact OG1-CB 3.08Å; T24-Q28 PolarHBondContact OG1-N 2.92Å; T24-Q28 VanDerWaalsContact OG1-N 3.07Å; T24-Q28 PolarHBondContact OG1-O 2.89Å; T24-V30 HydrophobicContact CG2-CB 4.18Å; T24-V30 HydrophobicContact CG2-CG1 3.42Å; T24-V30 VanDerWaalsContact CG2-CG1 3.42Å; T24-V30 HydrophobicContact CG2-CG2 3.68Å; T24-P79 WeakPolarHBondContact O-CD 3.08Å | ||
| 25 | S | 86.3 | Confident | 94.2 | Very high | 91 Ų | 91 | 46.7 Ų | 46.7 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.1 | 171.5 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 26 | Q | 86.2 | Confident | 94.3 | Very high | 126 Ų | 126 | 40.6 Ų | 40.6 | 59% | 0.589 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 3.9 | 174.5 | -56 | -57.8 | -26 | 0 | 0 | 113 | T24 Q28 | T24-Q26 PolarHBondContact O-N 3.32Å; T24-Q26 PolarHBondContact OG1-N 3.39Å; Q26-Q28 VanDerWaalsContact C-N 3.33Å |
| 27 | G | 87.1 | Confident | 94.3 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 82.7 | 7.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | T24 C78 | T24-G27 PolarHBondContact O-N 3.02Å; G27-C78 WeakPolarHBondContact CA-O 2.77Å; G27-C78 PolarHBondContact N-O 2.03Å |
| 28 | Q | 91.5 | Very high | 94.3 | Very high | 128 Ų | 128 | 38.7 Ų | 38.7 | 60% | 0.598 | 20% | 0.204 | S | C | * | . | trans | -81 | 132.6 | 178.1 | -60.2 | 175.3 | -25.6 | 0 | 0 | 110 | T24 Q26 V30 | T24-Q28 HydrophobicContact CG2-CB 4.43Å; T24-Q28 PolarHBondContact N-O 2.79Å; T24-Q28 WeakPolarHBondContact OG1-CB 3.08Å; T24-Q28 PolarHBondContact OG1-N 2.92Å; T24-Q28 VanDerWaalsContact OG1-N 3.07Å; T24-Q28 PolarHBondContact OG1-O 2.89Å; Q26-Q28 VanDerWaalsContact C-N 3.33Å; Q28-V30 PolarHBondContact O-N 3.39Å | ||
| 29 | L | 93.7 | Very high | 94 | Very high | 55 Ų | 55 | 39.3 Ų | 39.3 | 29% | 0.288 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124.1 | 169.5 | 179.9 | 66.9 | 0 | 0 | 0 | 109.2 | A21 L99 M104 L133 | A21-L29 HydrophobicContact CB-CD1 3.97Å; L29-L99 HydrophobicContact CD1-CD1 4.18Å; L29-L99 HydrophobicContact CD1-CD2 4.07Å; L29-M104 HydrophobicContact CD2-CB 4.48Å; L29-M104 HydrophobicContact CD2-CE 3.89Å; L29-L133 HydrophobicContact CD1-CD1 4.17Å |
| 30 | V | 95.8 | Very high | 93.7 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 32% | 0.315 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 170.3 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 109.5 | A21 D22 T24 Q28 | A21-V30 CarbonylContact C-O 3.53Å; A21-V30 WeakPolarHBondContact CA-O 3.2Å; D22-V30 HydrophobicContact CB-CG2 4.21Å; D22-V30 PolarHBondContact N-O 2.78Å; D22-V30 PolarHBondContact O-N 3.29Å; T24-V30 HydrophobicContact CG2-CB 4.18Å; T24-V30 HydrophobicContact CG2-CG1 3.42Å; T24-V30 VanDerWaalsContact CG2-CG1 3.42Å; T24-V30 HydrophobicContact CG2-CG2 3.68Å; Q28-V30 PolarHBondContact O-N 3.39Å |
| 31 | Y | 97 | Very high | 93.2 | Very high | 66 Ų | 66 | 39.3 Ų | 39.3 | 26% | 0.259 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.4 | 173.7 | -70.1 | -89.6 | 0 | 0 | 0 | 108.7 | V3 T4 R5 V20 A21 | V3-Y31 HydrophobicContact CG1-CE1 4.49Å; T4-Y31 WeakPolarHBondContact O-CE1 3.41Å; R5-Y31 HydrophobicContact CG-CD1 3.81Å; R5-Y31 HydrophobicContact CG-CD2 4.14Å; R5-Y31 HydrophobicContact CG-CE1 4.08Å; R5-Y31 HydrophobicContact CG-CE2 4.37Å; R5-Y31 HydrophobicContact CG-CG 3.84Å; V20-Y31 CarbonylContact O-C 3.56Å; V20-Y31 VanDerWaalsContact O-CA 3.31Å; V20-Y31 WeakPolarHBondContact O-CA 3.47Å; A21-Y31 HydrophobicContact CB-CD1 4.37Å; A21-Y31 HydrophobicContact CB-CE1 4.07Å |
| 32 | S | 97.5 | Very high | 92.8 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.8 | -173.9 | -170 | 0 | 0 | 0 | 0 | 109.8 | E19 V20 T127 M128 S129 | E19-S32 WeakPolarHBondContact CA-O 3.34Å; V20-S32 PolarHBondContact N-O 2.86Å; V20-S32 PolarHBondContact O-N 3.43Å; S32-T127 WeakPolarHBondContact OG-CB 3.5Å; S32-M128 PolarHBondContact OG-N 2.83Å; S32-S129 WeakPolarHBondContact CB-OG 3.38Å; S32-S129 VanDerWaalsContact OG-CB 3.31Å; S32-S129 WeakPolarHBondContact OG-CB 3.21Å; S32-S129 PolarHBondContact OG-N 2.87Å; S32-S129 PolarHBondContact OG-OG 2.98Å |
| 33 | K | 97.2 | Very high | 92.5 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 37% | 0.365 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.3 | -175.9 | -167.5 | 157.7 | -67.2 | -170.8 | 0 | 111.2 | D18 E19 T127 M128 Y168 | D18-K33 CarbonylContact O-C 3.55Å; D18-K33 WeakPolarHBondContact O-CA 3.45Å; E19-K33 HydrophobicContact CG-CB 4.41Å; K33-T127 CarbonylContact O-C 3.53Å; K33-T127 VanDerWaalsContact O-CA 3.27Å; K33-T127 WeakPolarHBondContact O-CA 3.39Å; K33-M128 HydrophobicContact CB-CG 4.17Å; K33-M128 PolarHBondContact O-N 2.9Å; K33-Y168 HydrophobicContact CD-CE1 4.03Å; K33-Y168 WeakPolarHBondContact CD-OH 3.17Å; K33-Y168 HydrophobicContact CG-CE1 4.4Å |
| 34 | V | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.3 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | L14 G17 D18 V20 P125 A126 T127 | L14-V34 HydrophobicContact CD1-CG2 4.04Å; L14-V34 HydrophobicContact CD2-CG1 4.22Å; L14-V34 HydrophobicContact CD2-CG2 3.78Å; L14-V34 HydrophobicContact CG-CG2 4.11Å; G17-V34 PolarHBondContact N-O 3.04Å; D18-V34 WeakPolarHBondContact O-CG2 3.36Å; D18-V34 PolarHBondContact O-N 2.75Å; V20-V34 HydrophobicContact CG1-CG2 3.95Å; V20-V34 HydrophobicContact CG2-CG2 4.09Å; V34-P125 HydrophobicContact CG1-CB 4.07Å; V34-A126 CarbonylContact C-O 3.51Å; V34-A126 WeakPolarHBondContact CA-O 3.16Å; V34-T127 HydrophobicContact CG2-CG2 4.29Å |
| 35 | Y | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -17.5 | -176.4 | 73.3 | -92.5 | 0 | 0 | 0 | 113.3 | A126 T127 M128 Y142 F161 L164 K165 M188 | Y35-A126 HydrophobicContact CD1-CB 4.08Å; Y35-A126 VanDerWaalsContact CD1-O 3.23Å; Y35-A126 WeakPolarHBondContact CD1-O 3.15Å; Y35-A126 HydrophobicContact CE1-CB 3.4Å; Y35-A126 HydrophobicContact CE2-CB 4.05Å; Y35-A126 PolarHBondContact N-O 2.65Å; Y35-A126 WeakPolarHBondContact OH-CB 3.27Å; Y35-T127 VanDerWaalsContact CE1-O 3.29Å; Y35-T127 WeakPolarHBondContact CE1-O 3.42Å; Y35-M128 HydrophobicContact CD1-CG 4.43Å; Y35-M128 HydrophobicContact CD1-SD 3.98Å; Y35-M128 HydrophobicContact CG-SD 4.23Å; Y35-Y142 PolarHBondContact OH-OH 3.05Å; Y35-F161 WeakPolarHBondContact OH-CB 3.43Å; Y35-F161 VanDerWaalsContact OH-CD1 3.27Å; Y35-F161 WeakPolarHBondContact OH-CD1 3.45Å; Y35-L164 HydrophobicContact CE2-CB 3.88Å; Y35-K165 HydrophobicContact CD1-CG 4.36Å; Y35-K165 HydrophobicContact CE1-CG 3.96Å; Y35-K165 HydrophobicContact CE2-CG 4.26Å; Y35-M188 HydrophobicContact CD2-CE 3.61Å; Y35-M188 HydrophobicContact CE2-CE 4Å |
| 36 | A | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 162.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A126 M188 L195 | A36-A126 HydrophobicContact CB-CB 4.26Å; A36-A126 PolarHBondContact O-N 2.91Å; A36-M188 WeakPolarHBondContact CA-O 3.45Å; A36-M188 HydrophobicContact CB-CB 4.05Å; A36-M188 HydrophobicContact CB-CE 3.74Å; A36-L195 HydrophobicContact CB-CD2 4.41Å |
| 37 | W | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110 | 165 | -83.2 | 105.5 | 0 | 0 | 0 | 109.5 | I11 L14 K40 Y123 P125 M188 H189 A190 L195 | I11-W37 HydrophobicContact CG1-CH2 4.11Å; I11-W37 VanDerWaalsContact O-CH2 3.25Å; I11-W37 WeakPolarHBondContact O-CH2 3.38Å; L14-W37 HydrophobicContact CB-CH2 4.3Å; L14-W37 HydrophobicContact CB-CZ2 3.76Å; L14-W37 HydrophobicContact CD2-CH2 4.28Å; L14-W37 HydrophobicContact CD2-CZ2 4.08Å; L14-W37 HydrophobicContact CG-CZ2 4.28Å; L14-W37 WeakPolarHBondContact O-CZ2 3.49Å; L14-W37 PolarHBondContact O-NE1 3.47Å; W37-K40 HydrophobicContact CD2-CB 4.39Å; W37-K40 HydrophobicContact CD2-CD 3.95Å; W37-K40 HydrophobicContact CE3-CB 4.1Å; W37-K40 HydrophobicContact CE3-CD 4.25Å; W37-K40 HydrophobicContact CE3-CG 4.5Å; W37-K40 HydrophobicContact CG-CD 4.29Å; W37-K40 HydrophobicContact CZ2-CD 4.22Å; W37-Y123 HydrophobicContact CH2-CD1 4.4Å; W37-Y123 HydrophobicContact CZ3-CD1 4.36Å; W37-P125 HydrophobicContact CD2-CB 4.42Å; W37-P125 HydrophobicContact CE3-CB 4.07Å; W37-P125 HydrophobicContact CH2-CB 4.19Å; W37-P125 HydrophobicContact CH2-CG 4.38Å; W37-P125 HydrophobicContact CZ3-CB 3.93Å; W37-P125 HydrophobicContact CZ3-CG 4.16Å; W37-M188 PolarHBondContact N-O 2.8Å; W37-H189 AromaticContact CD1-CD2 3.73Å; W37-A190 HydrophobicContact CB-CB 4.5Å; W37-A190 WeakPolarHBondContact O-CB 3.24Å; W37-A190 PolarHBondContact O-N 3.28Å; W37-L195 WeakPolarHBondContact O-CB 3.46Å |
| 38 | L | 92.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -31.2 | 178.1 | -55 | -174.3 | 0 | 0 | 0 | 112.6 | A124 A126 Y142 F161 A194 L195 V198 | L38-A124 WeakPolarHBondContact CA-O 3.44Å; L38-A124 HydrophobicContact CB-CB 4.16Å; L38-A124 WeakPolarHBondContact CB-O 3.35Å; L38-A124 PolarHBondContact N-O 3.12Å; L38-A126 HydrophobicContact CD1-CB 4.08Å; L38-A126 HydrophobicContact CD2-CB 3.97Å; L38-A126 HydrophobicContact CG-CB 3.85Å; L38-Y142 HydrophobicContact CD1-CD1 3.87Å; L38-Y142 HydrophobicContact CD1-CE1 3.96Å; L38-F161 HydrophobicContact CD1-CE1 4.12Å; L38-F161 HydrophobicContact CD1-CZ 3.88Å; L38-F161 HydrophobicContact CD2-CD1 4.29Å; L38-F161 HydrophobicContact CD2-CE1 3.39Å; L38-F161 HydrophobicContact CD2-CZ 3.9Å; L38-F161 HydrophobicContact CG-CE1 4.42Å; L38-A194 CarbonylContact O-C 3.49Å; L38-A194 VanDerWaalsContact O-CA 3.29Å; L38-A194 WeakPolarHBondContact O-CA 3.28Å; L38-L195 HydrophobicContact CD2-CD2 4.05Å; L38-L195 PolarHBondContact O-N 3.3Å; L38-V198 HydrophobicContact CB-CG2 4.21Å; L38-V198 HydrophobicContact CD2-CG2 4.12Å |
| 39 | R | 90.7 | Very high | 94.1 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 139.3 | 168.3 | 169 | 177.1 | -94.5 | -159.5 | -11.3 | 110.2 | D41 H45 A122 A124 G193 | R39-D41 VanDerWaalsContact CD-OD2 3.32Å; R39-D41 WeakPolarHBondContact CD-OD2 3.48Å; R39-D41 WeakPolarHBondContact CG-OD2 3.15Å; R39-D41 IonicContact CZ-OD2 3.53Å; R39-D41 IonicContact NE-OD2 3.82Å; R39-D41 PolarHBondContact NE-OD2 2.94Å; R39-D41 IonicContact NH2-OD2 2.65Å; R39-H45 PolarHBondContact NH1-CE1 3.39Å; R39-H45 PolarHBondContact NH1-ND1 3.06Å; R39-A122 HydrophobicContact CG-CB 4.49Å; R39-A124 HydrophobicContact CB-CB 4.03Å; R39-A124 PolarHBondContact N-O 2.89Å; R39-A124 PolarHBondContact O-N 2.79Å; R39-G193 WeakPolarHBondContact CA-O 3.42Å; R39-G193 WeakPolarHBondContact CG-O 3.42Å |
| 40 | K | 90.7 | Very high | 94.3 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 22% | 0.222 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 100.8 | 171.4 | -173.2 | 167.6 | -179.2 | -179.7 | 0 | 107.9 | W37 Y123 G193 | W37-K40 HydrophobicContact CD2-CB 4.39Å; W37-K40 HydrophobicContact CD2-CD 3.95Å; W37-K40 HydrophobicContact CE3-CB 4.1Å; W37-K40 HydrophobicContact CE3-CD 4.25Å; W37-K40 HydrophobicContact CE3-CG 4.5Å; W37-K40 HydrophobicContact CG-CD 4.29Å; W37-K40 HydrophobicContact CZ2-CD 4.22Å; K40-Y123 HydrophobicContact CG-CD1 4Å; K40-Y123 HydrophobicContact CG-CE1 4.17Å; K40-G193 PolarHBondContact N-O 2.97Å; K40-G193 PolarHBondContact O-N 2.99Å |
| 41 | D | 86.5 | Confident | 94.5 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156.7 | 177 | 72.2 | 64.3 | 0 | 0 | 0 | 111.2 | R39 L43 H45 G121 A122 | R39-D41 VanDerWaalsContact CD-OD2 3.32Å; R39-D41 WeakPolarHBondContact CD-OD2 3.48Å; R39-D41 WeakPolarHBondContact CG-OD2 3.15Å; R39-D41 IonicContact CZ-OD2 3.53Å; R39-D41 IonicContact NE-OD2 3.82Å; R39-D41 PolarHBondContact NE-OD2 2.94Å; R39-D41 IonicContact NH2-OD2 2.65Å; D41-L43 HydrophobicContact CB-CG 4.42Å; D41-L43 WeakPolarHBondContact OD1-CB 3.09Å; D41-L43 PolarHBondContact OD1-N 3.4Å; D41-H45 IonicContact OD1-CD2 3.96Å; D41-H45 IonicContact OD1-CE1 3.22Å; D41-H45 IonicContact OD1-NE2 3.52Å; D41-H45 PolarHBondContact OD1-NE2 3.33Å; D41-H45 IonicContact OD2-CE1 3.49Å; D41-H45 IonicContact OD2-NE2 3.23Å; D41-G121 VanDerWaalsContact O-CA 3.31Å; D41-G121 WeakPolarHBondContact O-CA 3.27Å; D41-A122 PolarHBondContact N-O 3.31Å; D41-A122 VanDerWaalsContact N-O 3.15Å; D41-A122 PolarHBondContact O-N 2.8Å |
| 42 | N | 88.4 | Confident | 94.5 | Very high | 90 Ų | 90 | 40.6 Ų | 40.6 | 48% | 0.481 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 37.3 | 178.5 | -161.2 | 16.9 | 0 | 0 | 0 | 110.7 | K120 | N42-K120 VanDerWaalsContact CG-CE 3.42Å; N42-K120 WeakPolarHBondContact ND2-CE 3.46Å; N42-K120 WeakPolarHBondContact O-CE 3.12Å; N42-K120 WeakPolarHBondContact O-CG 3.39Å; N42-K120 WeakPolarHBondContact OD1-CD 3.49Å; N42-K120 WeakPolarHBondContact OD1-CE 3.32Å; N42-K120 VanDerWaalsContact OD1-CG 3.32Å; N42-K120 WeakPolarHBondContact OD1-CG 3.41Å |
| 43 | L | 90.6 | Very high | 94.5 | Very high | 113 Ų | 113 | 45.1 Ų | 45.1 | 59% | 0.592 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 165.8 | 177.6 | -59.5 | 177.1 | 0 | 0 | 0 | 111 | D41 H45 K120 G121 | D41-L43 HydrophobicContact CB-CG 4.42Å; D41-L43 WeakPolarHBondContact OD1-CB 3.09Å; D41-L43 PolarHBondContact OD1-N 3.4Å; L43-H45 PolarHBondContact O-CD2 3.07Å; L43-K120 CarbonylContact O-C 3.58Å; L43-K120 WeakPolarHBondContact O-CA 3.33Å; L43-G121 PolarHBondContact O-N 3.4Å |
| 44 | Y | 92.9 | Very high | 94.2 | Very high | 171 Ų | 171 | 44.8 Ų | 44.8 | 67% | 0.671 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 129.8 | 170.7 | -75.1 | -82.2 | 0 | 0 | 0 | 110.2 | T118 A119 K120 | Y44-T118 HydrophobicContact CD1-CG2 4.09Å; Y44-A119 WeakPolarHBondContact CA-O 3.3Å; Y44-K120 HydrophobicContact CD1-CB 4.18Å; Y44-K120 HydrophobicContact CE1-CB 4.07Å |
| 45 | H | 93 | Very high | 93.9 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 157 | 173.2 | -58 | -89.8 | 0 | 0 | 0 | 110.1 | R39 D41 L43 F47 T118 A119 A122 | R39-H45 PolarHBondContact NH1-CE1 3.39Å; R39-H45 PolarHBondContact NH1-ND1 3.06Å; D41-H45 IonicContact OD1-CD2 3.96Å; D41-H45 IonicContact OD1-CE1 3.22Å; D41-H45 IonicContact OD1-NE2 3.52Å; D41-H45 PolarHBondContact OD1-NE2 3.33Å; D41-H45 IonicContact OD2-CE1 3.49Å; D41-H45 IonicContact OD2-NE2 3.23Å; L43-H45 PolarHBondContact O-CD2 3.07Å; H45-F47 HydrophobicContact CB-CD2 4.39Å; H45-F47 HydrophobicContact CB-CE2 3.67Å; H45-F47 HydrophobicContact CB-CZ 3.85Å; H45-F47 WeakPolarHBondContact O-CD2 3.42Å; H45-F47 VanDerWaalsContact O-CE2 3.27Å; H45-F47 WeakPolarHBondContact O-CE2 3.48Å; H45-T118 WeakPolarHBondContact O-CA 3.23Å; H45-A119 PolarHBondContact N-O 3.3Å; H45-A119 PolarHBondContact O-N 2.72Å; H45-A119 VanDerWaalsContact O-N 3.09Å; H45-A122 VanDerWaalsContact CD2-CB 3.43Å; H45-A122 WeakPolarHBondContact CD2-CB 3.3Å |
| 46 | T | 95.3 | Very high | 93.8 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 45% | 0.454 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.6 | 166.8 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | P62 L116 | T46-P62 HydrophobicContact CG2-CG 4.21Å; T46-P62 WeakPolarHBondContact O-CD 3.49Å; T46-L116 HydrophobicContact CG2-CD2 4.16Å |
| 47 | F | 96.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.8 | 176.9 | -63.8 | -90.4 | 0 | 0 | 0 | 110.7 | H45 V59 L60 T61 L116 L117 A119 G121 A122 | H45-F47 HydrophobicContact CB-CD2 4.39Å; H45-F47 HydrophobicContact CB-CE2 3.67Å; H45-F47 HydrophobicContact CB-CZ 3.85Å; H45-F47 WeakPolarHBondContact O-CD2 3.42Å; H45-F47 VanDerWaalsContact O-CE2 3.27Å; H45-F47 WeakPolarHBondContact O-CE2 3.48Å; F47-V59 HydrophobicContact CB-CG1 3.57Å; F47-V59 HydrophobicContact CD1-CG1 3.89Å; F47-V59 HydrophobicContact CG-CG1 3.81Å; F47-L60 CarbonylContact C-O 3.5Å; F47-L60 VanDerWaalsContact CA-O 3.29Å; F47-L60 WeakPolarHBondContact CA-O 3.48Å; F47-T61 HydrophobicContact CD1-CG2 4.07Å; F47-T61 HydrophobicContact CE1-CG2 3.78Å; F47-T61 HydrophobicContact CZ-CG2 4.45Å; F47-L116 WeakPolarHBondContact O-CA 3.35Å; F47-L117 HydrophobicContact CB-CD1 4Å; F47-L117 HydrophobicContact CB-CG 4.19Å; F47-L117 HydrophobicContact CD2-CD1 4.31Å; F47-L117 PolarHBondContact N-O 2.82Å; F47-L117 PolarHBondContact O-N 2.83Å; F47-A119 HydrophobicContact CD2-CB 3.85Å; F47-A119 HydrophobicContact CE2-CB 3.91Å; F47-A119 WeakPolarHBondContact CE2-O 3.3Å; F47-G121 VanDerWaalsContact CZ-O 3.3Å; F47-G121 WeakPolarHBondContact CZ-O 3.36Å; F47-A122 HydrophobicContact CZ-CB 4.43Å |
| 48 | V | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.9 | 163.4 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | L50 V59 L60 P62 A87 N88 V114 E115 L116 | V48-L50 HydrophobicContact CG1-CD2 3.69Å; V48-L50 HydrophobicContact CG1-CG 4.27Å; V48-V59 WeakPolarHBondContact O-CA 3.46Å; V48-L60 PolarHBondContact N-O 2.94Å; V48-L60 PolarHBondContact O-N 3.25Å; V48-P62 HydrophobicContact CG2-CB 4.21Å; V48-P62 HydrophobicContact CG2-CG 4.11Å; V48-A87 HydrophobicContact CB-CB 4.49Å; V48-N88 HydrophobicContact CG2-CB 4.5Å; V48-V114 HydrophobicContact CG1-CG1 3.69Å; V48-E115 CarbonylContact C-O 3.54Å; V48-E115 WeakPolarHBondContact CA-O 3.48Å; V48-L116 HydrophobicContact CG2-CD2 3.75Å |
| 49 | R | 98.2 | Very high | 94.1 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 33% | 0.328 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.3 | 167.8 | 176.3 | -176.7 | -67.9 | 170.6 | -2.9 | 109.1 | S58 V59 V114 E115 L117 | R49-S58 CarbonylContact C-O 3.34Å; R49-S58 WeakPolarHBondContact CA-O 3.49Å; R49-V59 HydrophobicContact CB-CG2 4.24Å; R49-V59 HydrophobicContact CG-CG2 4.18Å; R49-V114 WeakPolarHBondContact O-CA 3.47Å; R49-E115 HydrophobicContact CB-CB 4.42Å; R49-E115 PolarHBondContact N-O 2.97Å; R49-E115 IonicContact NH1-OE2 3.19Å; R49-E115 PolarHBondContact O-N 2.88Å; R49-L117 HydrophobicContact CB-CD2 3.59Å; R49-L117 HydrophobicContact CG-CD2 4.41Å; R49-L117 VanDerWaalsContact CZ-CD2 3.46Å; R49-L117 VanDerWaalsContact NE-CD2 3.29Å |
| 50 | L | 98.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123 | 172.2 | -54 | 177.3 | 0 | 0 | 0 | 107.9 | V48 Q57 S58 I66 I90 V111 V114 | V48-L50 HydrophobicContact CG1-CD2 3.69Å; V48-L50 HydrophobicContact CG1-CG 4.27Å; L50-Q57 VanDerWaalsContact O-CA 3.32Å; L50-Q57 WeakPolarHBondContact O-CA 3.45Å; L50-S58 PolarHBondContact N-O 2.84Å; L50-S58 PolarHBondContact O-N 3.05Å; L50-I66 HydrophobicContact CD1-CD1 3.8Å; L50-I90 HydrophobicContact CD1-CB 4.32Å; L50-I90 HydrophobicContact CD1-CG1 4.24Å; L50-I90 HydrophobicContact CD1-CG2 4.06Å; L50-I90 HydrophobicContact CD2-CB 4.07Å; L50-I90 HydrophobicContact CD2-CG2 3.73Å; L50-V111 HydrophobicContact CD2-CG1 4.5Å; L50-V114 HydrophobicContact CD2-CB 4.37Å; L50-V114 HydrophobicContact CD2-CG1 4Å; L50-V114 HydrophobicContact CD2-CG2 3.83Å |
| 51 | T | 98.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.9 | 169.8 | -51.3 | 0 | 0 | 0 | 0 | 108.8 | G56 Q57 A112 T113 | T51-G56 WeakPolarHBondContact CA-O 3.4Å; T51-Q57 HydrophobicContact CG2-CG 4Å; T51-A112 WeakPolarHBondContact O-CA 3.29Å; T51-A112 PolarHBondContact O-N 3.26Å; T51-T113 VanDerWaalsContact CB-OG1 3.23Å; T51-T113 WeakPolarHBondContact CB-OG1 3.16Å; T51-T113 PolarHBondContact N-O 2.89Å; T51-T113 PolarHBondContact O-N 3.03Å; T51-T113 PolarHBondContact OG1-OG1 3.46Å |
| 52 | T | 97.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 158.9 | -179.4 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | N54 G55 G56 I96 L98 A109 T110 V111 | T52-N54 WeakPolarHBondContact CB-OD1 3.39Å; T52-N54 PolarHBondContact O-N 2.92Å; T52-N54 VanDerWaalsContact O-N 3.17Å; T52-N54 PolarHBondContact OG1-OD1 3.26Å; T52-G55 PolarHBondContact O-N 2.86Å; T52-G56 PolarHBondContact N-O 2.93Å; T52-G56 WeakPolarHBondContact OG1-CA 3.37Å; T52-G56 PolarHBondContact OG1-N 2.89Å; T52-G56 PolarHBondContact OG1-O 3.15Å; T52-I96 HydrophobicContact CG2-CD1 3.7Å; T52-I96 HydrophobicContact CG2-CG1 3.89Å; T52-L98 HydrophobicContact CG2-CD1 4.33Å; T52-A109 HydrophobicContact CG2-CB 3.81Å; T52-T110 CarbonylContact C-O 3.55Å; T52-T110 WeakPolarHBondContact CA-O 3.38Å; T52-T110 WeakPolarHBondContact CB-O 3.48Å; T52-V111 HydrophobicContact CG2-CG2 4.45Å |
| 53 | V | 96.5 | Very high | 94.8 | Very high | 104 Ų | 104 | 49 Ų | 49 | 63% | 0.63 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -29.2 | -177.8 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | G55 T110 A112 | V53-G55 VanDerWaalsContact C-N 3.27Å; V53-G55 PolarHBondContact O-N 2.83Å; V53-T110 PolarHBondContact N-O 3.19Å; V53-A112 HydrophobicContact CG1-CB 3.9Å |
| 54 | N | 90.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 12.5 | 176.6 | 65.5 | -14.3 | 0 | 0 | 0 | 113 | T52 G56 Q107 A109 | T52-N54 WeakPolarHBondContact CB-OD1 3.39Å; T52-N54 PolarHBondContact O-N 2.92Å; T52-N54 VanDerWaalsContact O-N 3.17Å; T52-N54 PolarHBondContact OG1-OD1 3.26Å; N54-G56 VanDerWaalsContact C-N 3.33Å; N54-G56 PolarHBondContact O-N 3.47Å; N54-Q107 PolarHBondContact ND2-NE2 2.77Å; N54-A109 WeakPolarHBondContact OD1-CB 3.44Å |
| 55 | G | 92.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 37 Ų | 37 | 54% | 0.536 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 80 | 7.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | T52 V53 | T52-G55 PolarHBondContact O-N 2.86Å; V53-G55 VanDerWaalsContact C-N 3.27Å; V53-G55 PolarHBondContact O-N 2.83Å |
| 56 | G | 93.9 | Very high | 95 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | trans | -68.7 | 140.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T51 T52 N54 | T51-G56 WeakPolarHBondContact CA-O 3.4Å; T52-G56 PolarHBondContact N-O 2.93Å; T52-G56 WeakPolarHBondContact OG1-CA 3.37Å; T52-G56 PolarHBondContact OG1-N 2.89Å; T52-G56 PolarHBondContact OG1-O 3.15Å; N54-G56 VanDerWaalsContact C-N 3.33Å; N54-G56 PolarHBondContact O-N 3.47Å | ||
| 57 | Q | 96 | Very high | 95 | Very high | 101 Ų | 101 | 32.2 Ų | 32.2 | 47% | 0.472 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.2 | -179.5 | -72 | -174.5 | -26.6 | 0 | 0 | 110.7 | L50 T51 | L50-Q57 VanDerWaalsContact O-CA 3.32Å; L50-Q57 WeakPolarHBondContact O-CA 3.45Å; T51-Q57 HydrophobicContact CG2-CG 4Å |
| 58 | S | 95.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.6 | 173.6 | -178 | 0 | 0 | 0 | 0 | 109.4 | R49 L50 L60 | R49-S58 CarbonylContact C-O 3.34Å; R49-S58 WeakPolarHBondContact CA-O 3.49Å; L50-S58 PolarHBondContact N-O 2.84Å; L50-S58 PolarHBondContact O-N 3.05Å; S58-L60 WeakPolarHBondContact OG-CD1 3.45Å; S58-L60 WeakPolarHBondContact OG-CG 3.38Å |
| 59 | V | 96.7 | Very high | 94.8 | Very high | 59 Ų | 59 | 34.4 Ų | 34.4 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 113.7 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | F47 V48 R49 L117 | F47-V59 HydrophobicContact CB-CG1 3.57Å; F47-V59 HydrophobicContact CD1-CG1 3.89Å; F47-V59 HydrophobicContact CG-CG1 3.81Å; V48-V59 WeakPolarHBondContact O-CA 3.46Å; R49-V59 HydrophobicContact CB-CG2 4.24Å; R49-V59 HydrophobicContact CG-CG2 4.18Å; V59-L117 HydrophobicContact CG1-CD1 4.41Å |
| 60 | L | 95.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.2 | -170.6 | -60 | 169.7 | 0 | 0 | 0 | 110.3 | F47 V48 S58 H64 I66 A87 V139 | F47-L60 CarbonylContact C-O 3.5Å; F47-L60 VanDerWaalsContact CA-O 3.29Å; F47-L60 WeakPolarHBondContact CA-O 3.48Å; V48-L60 PolarHBondContact N-O 2.94Å; V48-L60 PolarHBondContact O-N 3.25Å; S58-L60 WeakPolarHBondContact OG-CD1 3.45Å; S58-L60 WeakPolarHBondContact OG-CG 3.38Å; L60-H64 HydrophobicContact CB-CB 4.01Å; L60-I66 HydrophobicContact CD1-CB 4.3Å; L60-I66 HydrophobicContact CD1-CD1 3.88Å; L60-A87 HydrophobicContact CB-CB 4.04Å; L60-A87 HydrophobicContact CD1-CB 4.35Å; L60-V139 HydrophobicContact CD1-CG1 3.94Å; L60-V139 HydrophobicContact CD2-CG1 4.09Å |
| 61 | T | 93.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | trans | -65.2 | 149.4 | 171.5 | 60.2 | 0 | 0 | 0 | 0 | 109.9 | F47 N63 H64 A87 | F47-T61 HydrophobicContact CD1-CG2 4.07Å; F47-T61 HydrophobicContact CE1-CG2 3.78Å; F47-T61 HydrophobicContact CZ-CG2 4.45Å; T61-N63 WeakPolarHBondContact CB-OD1 3.16Å; T61-N63 PolarHBondContact O-N 3.2Å; T61-N63 PolarHBondContact OG1-OD1 2.72Å; T61-H64 WeakPolarHBondContact O-CB 3.34Å; T61-H64 PolarHBondContact O-N 2.56Å; T61-A87 WeakPolarHBondContact O-CB 3.26Å | ||
| 62 | P | 93 | Very high | 93.2 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -32.7 | -176.3 | -31 | 34.1 | 0 | 0 | 0 | 115 | T46 V48 A87 N88 | T46-P62 HydrophobicContact CG2-CG 4.21Å; T46-P62 WeakPolarHBondContact O-CD 3.49Å; V48-P62 HydrophobicContact CG2-CB 4.21Å; V48-P62 HydrophobicContact CG2-CG 4.11Å; P62-A87 PolarHBondContact O-N 3.32Å; P62-N88 HydrophobicContact CB-CB 3.99Å; P62-N88 VanDerWaalsContact O-CB 3.31Å; P62-N88 WeakPolarHBondContact O-CB 3.17Å; P62-N88 PolarHBondContact O-N 3.18Å |
| 63 | N | 89.4 | Confident | 92.5 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 10.4 | -177.9 | 69.4 | -38.3 | 0 | 0 | 0 | 114 | T61 L86 T143 S144 Y145 | T61-N63 WeakPolarHBondContact CB-OD1 3.16Å; T61-N63 PolarHBondContact O-N 3.2Å; T61-N63 PolarHBondContact OG1-OD1 2.72Å; N63-L86 HydrophobicContact CB-CD2 4.28Å; N63-L86 WeakPolarHBondContact O-CD2 3.25Å; N63-T143 VanDerWaalsContact O-CA 3.27Å; N63-T143 WeakPolarHBondContact O-CA 3.17Å; N63-T143 WeakPolarHBondContact O-CB 3.19Å; N63-S144 PolarHBondContact O-N 2.91Å; N63-Y145 WeakPolarHBondContact ND2-CE1 3.47Å; N63-Y145 PolarHBondContact ND2-OH 3.32Å |
| 64 | H | 91.9 | Very high | 91.9 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 10% | 0.102 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 139.7 | 175.2 | -163.8 | -81.7 | 0 | 0 | 0 | 111 | L60 T61 L86 A87 S140 | L60-H64 HydrophobicContact CB-CB 4.01Å; T61-H64 WeakPolarHBondContact O-CB 3.34Å; T61-H64 PolarHBondContact O-N 2.56Å; H64-L86 CarbonylContact O-C 3.58Å; H64-L86 WeakPolarHBondContact O-CA 3.45Å; H64-A87 HydrophobicContact CB-CB 4.48Å; H64-A87 PolarHBondContact O-N 2.71Å; H64-S140 PolarHBondContact CE1-O 3.05Å; H64-S140 PolarHBondContact NE2-O 3.19Å |
| 65 | L | 93.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 137.5 | 177 | -66.5 | 172.6 | 0 | 0 | 0 | 111.1 | V84 V85 L86 S140 Y142 H153 | L65-V84 HydrophobicContact CB-CG1 3.72Å; L65-V84 HydrophobicContact CD1-CG1 4.3Å; L65-V84 HydrophobicContact CD2-CG1 4.18Å; L65-V84 HydrophobicContact CG-CG1 4.28Å; L65-V85 CarbonylContact C-O 3.5Å; L65-V85 VanDerWaalsContact CA-O 3.32Å; L65-V85 WeakPolarHBondContact CA-O 3.47Å; L65-L86 HydrophobicContact CD2-CD2 3.97Å; L65-S140 WeakPolarHBondContact O-CB 3.37Å; L65-S140 PolarHBondContact O-N 3.01Å; L65-Y142 WeakPolarHBondContact CB-O 3.41Å; L65-Y142 WeakPolarHBondContact CG-O 3.41Å; L65-Y142 PolarHBondContact N-O 3.38Å; L65-H153 HydrophobicContact CD1-CB 4.09Å |
| 66 | I | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151 | 176.9 | -176 | 167.2 | 0 | 0 | 0 | 109.8 | L50 L60 V84 V85 I90 I96 T137 V139 | L50-I66 HydrophobicContact CD1-CD1 3.8Å; L60-I66 HydrophobicContact CD1-CB 4.3Å; L60-I66 HydrophobicContact CD1-CD1 3.88Å; I66-V84 WeakPolarHBondContact O-CA 3.35Å; I66-V85 HydrophobicContact CG2-CG2 4.28Å; I66-V85 PolarHBondContact N-O 3.1Å; I66-V85 PolarHBondContact O-N 3.43Å; I66-I90 HydrophobicContact CG2-CD1 3.86Å; I66-I90 HydrophobicContact CG2-CG1 3.62Å; I66-I96 HydrophobicContact CD1-CD1 4.42Å; I66-I96 HydrophobicContact CD1-CG2 4.16Å; I66-T137 HydrophobicContact CD1-CG2 4.14Å; I66-V139 HydrophobicContact CD1-CG1 4.36Å; I66-V139 HydrophobicContact CG1-CG1 4.41Å |
| 67 | F | 95.3 | Very high | 91 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 119.6 | -179.9 | -57.4 | -86.5 | 0 | 0 | 0 | 110.5 | H82 E83 V84 F97 L138 H153 | F67-H82 AromaticContact CD1-CD2 3.65Å; F67-H82 AromaticContact CD1-NE2 3.71Å; F67-E83 WeakPolarHBondContact CA-O 3.3Å; F67-V84 HydrophobicContact CD1-CG2 3.56Å; F67-V84 HydrophobicContact CE1-CG2 3.61Å; F67-F97 HydrophobicContact CB-CD2 3.73Å; F67-F97 HydrophobicContact CB-CE2 3.98Å; F67-L138 HydrophobicContact CD2-CD2 4.08Å; F67-L138 HydrophobicContact CD2-CG 3.77Å; F67-L138 HydrophobicContact CE2-CD2 4.45Å; F67-L138 HydrophobicContact CE2-CG 4.02Å; F67-L138 HydrophobicContact CG-CD2 4.45Å; F67-H153 AromaticContact CZ-CE1 3.83Å; F67-H153 AromaticContact CZ-NE2 3.97Å |
| 68 | R | 95.2 | Very high | 90.6 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.1 | 175.4 | 176.9 | 172.2 | 69.4 | -167.2 | 1.3 | 110.1 | H82 E83 V85 H89 I90 D94 | R68-H82 CarbonylContact O-C 3.48Å; R68-H82 WeakPolarHBondContact O-CA 3.47Å; R68-H82 WeakPolarHBondContact O-CB 2.91Å; R68-E83 HydrophobicContact CB-CG 4.21Å; R68-E83 IonicContact CZ-OE1 3.7Å; R68-E83 PolarHBondContact N-O 2.96Å; R68-E83 IonicContact NE-OE1 2.62Å; R68-E83 PolarHBondContact NE-OE1 3.09Å; R68-E83 IonicContact NH2-OE1 2.85Å; R68-E83 PolarHBondContact NH2-OE1 3.19Å; R68-E83 IonicContact NH2-OE2 3.67Å; R68-E83 PolarHBondContact O-N 2.82Å; R68-V85 HydrophobicContact CB-CG2 3.92Å; R68-H89 PolarHBondContact NH1-O 2.93Å; R68-I90 HydrophobicContact CB-CD1 3.97Å; R68-I90 HydrophobicContact CG-CD1 4.35Å; R68-D94 WeakPolarHBondContact CD-OD2 3.41Å; R68-D94 HydrophobicContact CG-CB 4.33Å; R68-D94 IonicContact CZ-OD2 3.33Å; R68-D94 IonicContact NE-OD2 2.88Å; R68-D94 IonicContact NH1-OD2 3.56Å; R68-D94 PolarHBondContact NH1-OD2 2.82Å |
| 69 | A | 95.8 | Very high | 90.2 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 136.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A74 T95 F97 | A69-A74 HydrophobicContact CB-CB 3.68Å; A69-T95 HydrophobicContact CB-CG2 3.86Å; A69-T95 WeakPolarHBondContact CB-O 3.45Å; A69-T95 PolarHBondContact N-O 2.96Å; A69-F97 HydrophobicContact CB-CE1 4.17Å; A69-F97 HydrophobicContact CB-CE2 4.49Å; A69-F97 HydrophobicContact CB-CZ 3.74Å |
| 70 | L | 92.3 | Very high | 89.8 | Confident | 72 Ų | 72 | 48.5 Ų | 48.5 | 38% | 0.377 | 27% | 0.274 | S | S | . | . | trans | -122.8 | 119.1 | -175.7 | -176.1 | 66.6 | 0 | 0 | 0 | 110.7 | H81 | L70-H81 PolarHBondContact N-O 2.77Å; L70-H81 PolarHBondContact O-CD2 3.03Å; L70-H81 VanDerWaalsContact O-CD2 3.3Å | ||
| 71 | G | 88.5 | Confident | 89.7 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 81.2 | 169.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | N73 A74 | G71-N73 VanDerWaalsContact C-N 3.34Å; G71-N73 PolarHBondContact O-N 2.99Å; G71-A74 VanDerWaalsContact O-CB 3.26Å; G71-A74 WeakPolarHBondContact O-CB 3.28Å; G71-A74 PolarHBondContact O-N 3.46Å |
| 72 | N | 80.7 | Confident | 89.7 | Confident | 169 Ų | 169 | 55.4 Ų | 55.4 | 90% | 0.904 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -28.6 | -166.5 | -62.6 | -16.9 | 0 | 0 | 0 | 114.3 | ||
| 73 | N | 82.4 | Confident | 89.6 | Confident | 130 Ų | 130 | 56.8 Ų | 56.8 | 70% | 0.695 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.8 | -176.8 | -66.1 | -22.5 | 0 | 0 | 0 | 113.1 | G71 C75 T76 | G71-N73 VanDerWaalsContact C-N 3.34Å; G71-N73 PolarHBondContact O-N 2.99Å; N73-C75 PolarHBondContact O-N 2.83Å; N73-T76 WeakPolarHBondContact O-CB 3.47Å; N73-T76 PolarHBondContact O-N 2.79Å; N73-T76 PolarHBondContact O-OG1 3.44Å |
| 74 | A | 83.2 | Confident | 89.8 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A69 G71 G80 H81 | A69-A74 HydrophobicContact CB-CB 3.68Å; G71-A74 VanDerWaalsContact O-CB 3.26Å; G71-A74 WeakPolarHBondContact O-CB 3.28Å; G71-A74 PolarHBondContact O-N 3.46Å; A74-G80 WeakPolarHBondContact O-CA 3.43Å; A74-G80 PolarHBondContact O-N 3.31Å; A74-H81 VanDerWaalsContact CB-O 3.23Å; A74-H81 WeakPolarHBondContact CB-O 3.44Å |
| 75 | C | 85.8 | Confident | 89.8 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 45% | 0.446 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 5.7 | 178.3 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | N73 R77 C108 | N73-C75 PolarHBondContact O-N 2.83Å; C75-R77 PolarHBondContact O-N 3.25Å; C75-C108 WeakPolarHBondContact CA-SG 3.41Å; C75-C108 HydrophobicContact CB-CB 3.77Å; C75-C108 WeakPolarHBondContact CB-SG 3.19Å; C75-C108 WeakPolarHBondContact SG-CB 3.32Å; C75-C108 CovalentContact SG-SG 2.04Å; C75-C108 PolarHBondContact SG-SG 3.22Å |
| 76 | T | 85.8 | Confident | 89.8 | Confident | 114 Ų | 114 | 57.2 Ų | 57.2 | 70% | 0.699 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -66.3 | -31.6 | 171 | -44.9 | 0 | 0 | 0 | 0 | 111 | N73 | N73-T76 WeakPolarHBondContact O-CB 3.47Å; N73-T76 PolarHBondContact O-N 2.79Å; N73-T76 PolarHBondContact O-OG1 3.44Å |
| 77 | R | 86.4 | Confident | 89.7 | Confident | 165 Ų | 165 | 57.2 Ų | 57.2 | 62% | 0.623 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -128.4 | 156.3 | 168.1 | -68.1 | -171.9 | -69.7 | 152.3 | -2.2 | 107.8 | C75 G80 | C75-R77 PolarHBondContact O-N 3.25Å; R77-G80 WeakPolarHBondContact O-CA 3.22Å; R77-G80 PolarHBondContact O-N 2.93Å |
| 78 | C | 88.4 | Confident | 89.6 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -133.8 | 124.7 | 179.9 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | G27 C106 Q107 | G27-C78 WeakPolarHBondContact CA-O 2.77Å; G27-C78 PolarHBondContact N-O 2.03Å; C78-C106 HydrophobicContact CB-CB 3.54Å; C78-C106 WeakPolarHBondContact CB-SG 3.02Å; C78-C106 WeakPolarHBondContact SG-CB 3.29Å; C78-C106 CovalentContact SG-SG 2.03Å; C78-C106 PolarHBondContact SG-SG 3.2Å; C78-Q107 VanDerWaalsContact SG-C 3.54Å; C78-Q107 PolarHBondContact SG-N 3.02Å |
| 79 | P | 87.6 | Confident | 89.5 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | S | Bend | cis | -66.2 | 128.3 | -10.9 | -13.1 | 30 | 0 | 0 | 0 | 108.7 | I23 T24 F97 L138 | I23-P79 HydrophobicContact CG2-CG 4.19Å; T24-P79 WeakPolarHBondContact O-CD 3.08Å; P79-F97 HydrophobicContact CB-CD1 4.2Å; P79-F97 HydrophobicContact CB-CD2 4.15Å; P79-F97 HydrophobicContact CB-CE1 4.26Å; P79-F97 HydrophobicContact CB-CE2 4.22Å; P79-F97 HydrophobicContact CB-CG 4.13Å; P79-F97 HydrophobicContact CB-CZ 4.26Å; P79-L138 HydrophobicContact CB-CD2 4.4Å; P79-L138 HydrophobicContact CG-CD2 3.69Å |
| 80 | G | 87.8 | Confident | 89.6 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 12% | 0.124 | 34% | 0.344 | C | S | . | . | trans | -85.9 | -149.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A74 R77 H82 | A74-G80 WeakPolarHBondContact O-CA 3.43Å; A74-G80 PolarHBondContact O-N 3.31Å; R77-G80 WeakPolarHBondContact O-CA 3.22Å; R77-G80 PolarHBondContact O-N 2.93Å; G80-H82 PolarHBondContact O-N 3.32Å; G80-H82 PolarHBondContact O-ND1 2.91Å | ||
| 81 | H | 92 | Very high | 89.9 | Confident | 129 Ų | 129 | 68.9 Ų | 68.9 | 60% | 0.597 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -62.3 | 126.8 | 174.9 | -164.9 | 72.9 | 0 | 0 | 0 | 109.8 | L70 A74 | L70-H81 PolarHBondContact N-O 2.77Å; L70-H81 PolarHBondContact O-CD2 3.03Å; L70-H81 VanDerWaalsContact O-CD2 3.3Å; A74-H81 VanDerWaalsContact CB-O 3.23Å; A74-H81 WeakPolarHBondContact CB-O 3.44Å |
| 82 | H | 93.7 | Very high | 90.3 | Very high | 47 Ų | 47 | 70.7 Ų | 70.7 | 22% | 0.218 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 161.7 | -171.4 | 65.4 | -93.9 | 0 | 0 | 0 | 111.7 | F67 R68 G80 F97 Y154 | F67-H82 AromaticContact CD1-CD2 3.65Å; F67-H82 AromaticContact CD1-NE2 3.71Å; R68-H82 CarbonylContact O-C 3.48Å; R68-H82 WeakPolarHBondContact O-CA 3.47Å; R68-H82 WeakPolarHBondContact O-CB 2.91Å; G80-H82 PolarHBondContact O-N 3.32Å; G80-H82 PolarHBondContact O-ND1 2.91Å; H82-F97 HydrophobicContact CB-CE2 3.6Å; H82-F97 HydrophobicContact CB-CZ 3.78Å; H82-Y154 PolarHBondContact NE2-OH 3.09Å |
| 83 | E | 92.1 | Very high | 91.1 | Very high | 63 Ų | 63 | 65 Ų | 65 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 165.7 | 167.7 | 58.2 | 179.2 | 153.7 | 0 | 0 | 109.9 | F67 R68 V85 | F67-E83 WeakPolarHBondContact CA-O 3.3Å; R68-E83 HydrophobicContact CB-CG 4.21Å; R68-E83 IonicContact CZ-OE1 3.7Å; R68-E83 PolarHBondContact N-O 2.96Å; R68-E83 IonicContact NE-OE1 2.62Å; R68-E83 PolarHBondContact NE-OE1 3.09Å; R68-E83 IonicContact NH2-OE1 2.85Å; R68-E83 PolarHBondContact NH2-OE1 3.19Å; R68-E83 IonicContact NH2-OE2 3.67Å; R68-E83 PolarHBondContact O-N 2.82Å; E83-V85 HydrophobicContact CG-CG1 3.84Å |
| 84 | V | 92.7 | Very high | 91.8 | Very high | 34 Ų | 34 | 60.3 Ų | 60.3 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113.4 | 178.7 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | L65 I66 F67 H153 Y154 | L65-V84 HydrophobicContact CB-CG1 3.72Å; L65-V84 HydrophobicContact CD1-CG1 4.3Å; L65-V84 HydrophobicContact CD2-CG1 4.18Å; L65-V84 HydrophobicContact CG-CG1 4.28Å; I66-V84 WeakPolarHBondContact O-CA 3.35Å; F67-V84 HydrophobicContact CD1-CG2 3.56Å; F67-V84 HydrophobicContact CE1-CG2 3.61Å; V84-H153 HydrophobicContact CB-CB 4.17Å; V84-H153 HydrophobicContact CG1-CB 3.67Å; V84-H153 HydrophobicContact CG2-CB 4.18Å; V84-Y154 HydrophobicContact CG2-CE2 4.41Å |
| 85 | V | 92 | Very high | 92.4 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 166.1 | -170.2 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | L65 I66 R68 E83 H89 I90 | L65-V85 CarbonylContact C-O 3.5Å; L65-V85 VanDerWaalsContact CA-O 3.32Å; L65-V85 WeakPolarHBondContact CA-O 3.47Å; I66-V85 HydrophobicContact CG2-CG2 4.28Å; I66-V85 PolarHBondContact N-O 3.1Å; I66-V85 PolarHBondContact O-N 3.43Å; R68-V85 HydrophobicContact CB-CG2 3.92Å; E83-V85 HydrophobicContact CG-CG1 3.84Å; V85-H89 HydrophobicContact CB-CB 4.41Å; V85-I90 HydrophobicContact CG2-CD1 3.55Å; V85-I90 HydrophobicContact CG2-CG1 4.3Å |
| 86 | L | 92.2 | Very high | 92.9 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 146.9 | 171.1 | -68.5 | 178.5 | 0 | 0 | 0 | 111.8 | N63 H64 L65 N88 H89 I90 S144 | N63-L86 HydrophobicContact CB-CD2 4.28Å; N63-L86 WeakPolarHBondContact O-CD2 3.25Å; H64-L86 CarbonylContact O-C 3.58Å; H64-L86 WeakPolarHBondContact O-CA 3.45Å; L65-L86 HydrophobicContact CD2-CD2 3.97Å; L86-N88 PolarHBondContact O-N 2.74Å; L86-H89 HydrophobicContact CB-CB 4.35Å; L86-H89 WeakPolarHBondContact O-CA 3.43Å; L86-H89 WeakPolarHBondContact O-CB 3.39Å; L86-H89 PolarHBondContact O-N 3.33Å; L86-I90 PolarHBondContact O-N 2.77Å; L86-S144 WeakPolarHBondContact CD1-OG 3.27Å; L86-S144 WeakPolarHBondContact CD2-OG 3.47Å; L86-S144 WeakPolarHBondContact CG-OG 3.31Å |
| 87 | A | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.2 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V48 L60 T61 P62 H64 H89 I90 | V48-A87 HydrophobicContact CB-CB 4.49Å; L60-A87 HydrophobicContact CB-CB 4.04Å; L60-A87 HydrophobicContact CD1-CB 4.35Å; T61-A87 WeakPolarHBondContact O-CB 3.26Å; P62-A87 PolarHBondContact O-N 3.32Å; H64-A87 HydrophobicContact CB-CB 4.48Å; H64-A87 PolarHBondContact O-N 2.71Å; A87-H89 PolarHBondContact O-N 3.21Å; A87-I90 WeakPolarHBondContact O-CB 3.32Å; A87-I90 PolarHBondContact O-N 3.01Å |
| 88 | N | 93.3 | Very high | 93.9 | Very high | 97 Ų | 97 | 45.4 Ų | 45.4 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -72.3 | -9.7 | 174.6 | -167.5 | 32.2 | 0 | 0 | 0 | 114.2 | V48 P62 L86 | V48-N88 HydrophobicContact CG2-CB 4.5Å; P62-N88 HydrophobicContact CB-CB 3.99Å; P62-N88 VanDerWaalsContact O-CB 3.31Å; P62-N88 WeakPolarHBondContact O-CB 3.17Å; P62-N88 PolarHBondContact O-N 3.18Å; L86-N88 PolarHBondContact O-N 2.74Å |
| 89 | H | 93.9 | Very high | 94.1 | Very high | 99 Ų | 99 | 44.5 Ų | 44.5 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -94 | -6.6 | 174.1 | -66.9 | 177 | 0 | 0 | 0 | 112.7 | R68 V85 L86 A87 | R68-H89 PolarHBondContact NH1-O 2.93Å; V85-H89 HydrophobicContact CB-CB 4.41Å; L86-H89 HydrophobicContact CB-CB 4.35Å; L86-H89 WeakPolarHBondContact O-CA 3.43Å; L86-H89 WeakPolarHBondContact O-CB 3.39Å; L86-H89 PolarHBondContact O-N 3.33Å; A87-H89 PolarHBondContact O-N 3.21Å |
| 90 | I | 96.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | trans | -72.4 | 131.9 | 172.1 | -62.4 | -62.4 | 0 | 0 | 0 | 109.6 | L50 I66 R68 V85 L86 A87 D94 I96 V111 | L50-I90 HydrophobicContact CD1-CB 4.32Å; L50-I90 HydrophobicContact CD1-CG1 4.24Å; L50-I90 HydrophobicContact CD1-CG2 4.06Å; L50-I90 HydrophobicContact CD2-CB 4.07Å; L50-I90 HydrophobicContact CD2-CG2 3.73Å; I66-I90 HydrophobicContact CG2-CD1 3.86Å; I66-I90 HydrophobicContact CG2-CG1 3.62Å; R68-I90 HydrophobicContact CB-CD1 3.97Å; R68-I90 HydrophobicContact CG-CD1 4.35Å; V85-I90 HydrophobicContact CG2-CD1 3.55Å; V85-I90 HydrophobicContact CG2-CG1 4.3Å; L86-I90 PolarHBondContact O-N 2.77Å; A87-I90 WeakPolarHBondContact O-CB 3.32Å; A87-I90 PolarHBondContact O-N 3.01Å; I90-D94 WeakPolarHBondContact CA-OD2 3.49Å; I90-D94 HydrophobicContact CG2-CB 4.25Å; I90-I96 HydrophobicContact CD1-CG2 4.27Å; I90-V111 HydrophobicContact CG2-CB 4.45Å; I90-V111 HydrophobicContact CG2-CG1 4.29Å; I90-V111 HydrophobicContact CG2-CG2 3.85Å | ||
| 91 | R | 97.7 | Very high | 94.2 | Very high | 185 Ų | 185 | 51.3 Ų | 51.3 | 70% | 0.698 | 26% | 0.26 | S | S | * | . | trans | -117.6 | 159.5 | 178.4 | -60.4 | -178.5 | -178.8 | -167.8 | 0.1 | 111 | G93 D94 | R91-G93 PolarHBondContact O-N 2.74Å; R91-D94 PolarHBondContact N-OD2 2.64Å; R91-D94 VanDerWaalsContact O-CB 3.24Å; R91-D94 WeakPolarHBondContact O-CB 3.35Å; R91-D94 PolarHBondContact O-N 2.97Å | ||
| 92 | V | 98.3 | Very high | 93.9 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.5 | 168.4 | 176.6 | 0 | 0 | 0 | 0 | 109 | A112 V114 | V92-A112 WeakPolarHBondContact CG1-O 3.47Å; V92-A112 WeakPolarHBondContact CG2-O 3.2Å; V92-V114 HydrophobicContact CG2-CG2 4.11Å |
| 93 | G | 96.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 57 Ų | 57 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -17.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R91 V111 | R91-G93 PolarHBondContact O-N 2.74Å; G93-V111 PolarHBondContact N-O 3.35Å |
| 94 | D | 97.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 57 Ų | 57 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | trans | -63.8 | 153.2 | 171.8 | -73.3 | -10.2 | 0 | 0 | 0 | 110.3 | R68 I90 R91 T110 V111 | R68-D94 WeakPolarHBondContact CD-OD2 3.41Å; R68-D94 HydrophobicContact CG-CB 4.33Å; R68-D94 IonicContact CZ-OD2 3.33Å; R68-D94 IonicContact NE-OD2 2.88Å; R68-D94 IonicContact NH1-OD2 3.56Å; R68-D94 PolarHBondContact NH1-OD2 2.82Å; I90-D94 WeakPolarHBondContact CA-OD2 3.49Å; I90-D94 HydrophobicContact CG2-CB 4.25Å; R91-D94 PolarHBondContact N-OD2 2.64Å; R91-D94 VanDerWaalsContact O-CB 3.24Å; R91-D94 WeakPolarHBondContact O-CB 3.35Å; R91-D94 PolarHBondContact O-N 2.97Å; D94-T110 CarbonylContact O-C 3.6Å; D94-T110 WeakPolarHBondContact O-CA 3.12Å; D94-V111 PolarHBondContact O-N 3.44Å | ||
| 95 | T | 96.5 | Very high | 93.3 | Very high | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.2 | 177.7 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | A69 C108 A109 | A69-T95 HydrophobicContact CB-CG2 3.86Å; A69-T95 WeakPolarHBondContact CB-O 3.45Å; A69-T95 PolarHBondContact N-O 2.96Å; T95-C108 HydrophobicContact CG2-CB 3.68Å; T95-A109 WeakPolarHBondContact CA-O 3.43Å |
| 96 | I | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 168.3 | 178.9 | 59.6 | 169.9 | 0 | 0 | 0 | 110.3 | T52 I66 I90 L98 A109 V111 T137 | T52-I96 HydrophobicContact CG2-CD1 3.7Å; T52-I96 HydrophobicContact CG2-CG1 3.89Å; I66-I96 HydrophobicContact CD1-CD1 4.42Å; I66-I96 HydrophobicContact CD1-CG2 4.16Å; I90-I96 HydrophobicContact CD1-CG2 4.27Å; I96-L98 HydrophobicContact CD1-CD1 3.83Å; I96-L98 HydrophobicContact CG1-CD1 3.69Å; I96-A109 PolarHBondContact N-O 3.28Å; I96-A109 PolarHBondContact O-N 2.86Å; I96-V111 HydrophobicContact CD1-CG2 4.12Å; I96-V111 HydrophobicContact CG1-CG2 4.09Å; I96-V111 HydrophobicContact CG2-CG2 4.17Å; I96-T137 HydrophobicContact CD1-CG2 4.05Å |
| 97 | F | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.5 | -175.1 | -51.3 | -73.5 | 0 | 0 | 0 | 111.4 | F67 A69 P79 H82 L138 | F67-F97 HydrophobicContact CB-CD2 3.73Å; F67-F97 HydrophobicContact CB-CE2 3.98Å; A69-F97 HydrophobicContact CB-CE1 4.17Å; A69-F97 HydrophobicContact CB-CE2 4.49Å; A69-F97 HydrophobicContact CB-CZ 3.74Å; P79-F97 HydrophobicContact CB-CD1 4.2Å; P79-F97 HydrophobicContact CB-CD2 4.15Å; P79-F97 HydrophobicContact CB-CE1 4.26Å; P79-F97 HydrophobicContact CB-CE2 4.22Å; P79-F97 HydrophobicContact CB-CG 4.13Å; P79-F97 HydrophobicContact CB-CZ 4.26Å; H82-F97 HydrophobicContact CB-CE2 3.6Å; H82-F97 HydrophobicContact CB-CZ 3.78Å; F97-L138 HydrophobicContact CB-CB 4.13Å; F97-L138 HydrophobicContact CB-CD2 4.21Å; F97-L138 WeakPolarHBondContact O-CB 3.07Å; F97-L138 PolarHBondContact O-N 2.88Å |
| 98 | L | 95.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 161.6 | 177.1 | -79.6 | 68.8 | 0 | 0 | 0 | 110.4 | T52 I96 C106 Q107 A109 N136 T137 | T52-L98 HydrophobicContact CG2-CD1 4.33Å; I96-L98 HydrophobicContact CD1-CD1 3.83Å; I96-L98 HydrophobicContact CG1-CD1 3.69Å; L98-C106 CarbonylContact O-C 3.55Å; L98-C106 WeakPolarHBondContact O-CA 3.21Å; L98-Q107 HydrophobicContact CB-CG 3.9Å; L98-Q107 PolarHBondContact N-O 2.93Å; L98-Q107 WeakPolarHBondContact O-CG 3.29Å; L98-Q107 PolarHBondContact O-N 2.74Å; L98-A109 HydrophobicContact CD1-CB 3.87Å; L98-A109 HydrophobicContact CD2-CB 4.29Å; L98-N136 CarbonylContact C-O 3.57Å; L98-N136 WeakPolarHBondContact CA-O 3.27Å; L98-N136 WeakPolarHBondContact CB-O 3.49Å; L98-T137 HydrophobicContact CD1-CG2 4.28Å |
| 99 | L | 94.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.3 | 165.2 | -173.7 | 75.1 | 0 | 0 | 0 | 108.9 | I23 L29 K101 M104 L133 N136 | I23-L99 HydrophobicContact CD1-CB 4.45Å; I23-L99 HydrophobicContact CD1-CD1 4.26Å; L29-L99 HydrophobicContact CD1-CD1 4.18Å; L29-L99 HydrophobicContact CD1-CD2 4.07Å; L99-K101 PolarHBondContact O-N 2.95Å; L99-M104 HydrophobicContact CD2-CE 3.73Å; L99-M104 HydrophobicContact CD2-SD 4.09Å; L99-L133 HydrophobicContact CB-CD1 3.86Å; L99-L133 HydrophobicContact CB-CD2 4Å; L99-L133 HydrophobicContact CD1-CD1 4.37Å; L99-L133 HydrophobicContact CD2-CD1 3.74Å; L99-L133 HydrophobicContact CG-CD1 4.2Å; L99-N136 PolarHBondContact N-O 3.31Å; L99-N136 WeakPolarHBondContact O-CB 3.31Å; L99-N136 PolarHBondContact O-ND2 2.8Å |
| 100 | D | 91.5 | Very high | 93.7 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | trans | -60.2 | 131.2 | 173.8 | -177.4 | -100.9 | 0 | 0 | 0 | 111 | V102 K103 M104 V105 Q107 | D100-V102 VanDerWaalsContact C-N 3.25Å; D100-V102 PolarHBondContact O-N 2.84Å; D100-V102 PolarHBondContact OD1-N 2.92Å; D100-K103 HydrophobicContact CB-CB 4.41Å; D100-K103 WeakPolarHBondContact OD1-CB 3.31Å; D100-K103 PolarHBondContact OD1-N 3.46Å; D100-M104 VanDerWaalsContact O-CA 3.28Å; D100-M104 WeakPolarHBondContact O-CA 3.48Å; D100-M104 PolarHBondContact O-N 2.7Å; D100-V105 HydrophobicContact CB-CG2 4.35Å; D100-V105 PolarHBondContact N-O 3.07Å; D100-Q107 HydrophobicContact CB-CG 4.34Å | ||
| 101 | K | 85.6 | Confident | 93.7 | Very high | 131 Ų | 131 | 55.3 Ų | 55.3 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -20.2 | -172.2 | -69.5 | 177.6 | -177.8 | 176.8 | 0 | 113.5 | L99 N136 | L99-K101 PolarHBondContact O-N 2.95Å; K101-N136 WeakPolarHBondContact CE-OD1 2.9Å; K101-N136 WeakPolarHBondContact CG-ND2 3.35Å |
| 102 | V | 86.1 | Confident | 93.8 | Very high | 130 Ų | 130 | 48.3 Ų | 48.3 | 79% | 0.788 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -54.6 | -173 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | D100 M104 | D100-V102 VanDerWaalsContact C-N 3.25Å; D100-V102 PolarHBondContact O-N 2.84Å; D100-V102 PolarHBondContact OD1-N 2.92Å; V102-M104 VanDerWaalsContact C-N 3.32Å |
| 103 | K | 87.1 | Confident | 93.8 | Very high | 164 Ų | 164 | 46.2 Ų | 46.2 | 71% | 0.713 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.7 | -178.6 | -64.3 | -179.6 | -178 | 178.6 | 0 | 112.8 | D100 V105 | D100-K103 HydrophobicContact CB-CB 4.41Å; D100-K103 WeakPolarHBondContact OD1-CB 3.31Å; D100-K103 PolarHBondContact OD1-N 3.46Å; K103-V105 HydrophobicContact CB-CG1 4.45Å; K103-V105 HydrophobicContact CB-CG2 3.74Å; K103-V105 HydrophobicContact CD-CG2 4.42Å; K103-V105 PolarHBondContact O-N 3.03Å |
| 104 | M | 87.8 | Confident | 93.8 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | trans | 55.6 | 35.7 | -177.1 | -61.1 | -64.8 | -70.9 | 0 | 0 | 112.7 | L29 L99 D100 V102 | L29-M104 HydrophobicContact CD2-CB 4.48Å; L29-M104 HydrophobicContact CD2-CE 3.89Å; L99-M104 HydrophobicContact CD2-CE 3.73Å; L99-M104 HydrophobicContact CD2-SD 4.09Å; D100-M104 VanDerWaalsContact O-CA 3.28Å; D100-M104 WeakPolarHBondContact O-CA 3.48Å; D100-M104 PolarHBondContact O-N 2.7Å; V102-M104 VanDerWaalsContact C-N 3.32Å | ||
| 105 | V | 90.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 46% | 0.461 | 27% | 0.267 | S | S | . | . | trans | -116.1 | 151.5 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | D100 K103 Q107 | D100-V105 HydrophobicContact CB-CG2 4.35Å; D100-V105 PolarHBondContact N-O 3.07Å; K103-V105 HydrophobicContact CB-CG1 4.45Å; K103-V105 HydrophobicContact CB-CG2 3.74Å; K103-V105 HydrophobicContact CD-CG2 4.42Å; K103-V105 PolarHBondContact O-N 3.03Å; V105-Q107 PolarHBondContact O-N 2.71Å | ||
| 106 | C | 93.7 | Very high | 93.9 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 12% | 0.122 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 134.8 | 172.8 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | I23 C78 L98 | I23-C106 HydrophobicContact CD1-CB 3.84Å; I23-C106 HydrophobicContact CG2-CB 3.96Å; C78-C106 HydrophobicContact CB-CB 3.54Å; C78-C106 WeakPolarHBondContact CB-SG 3.02Å; C78-C106 WeakPolarHBondContact SG-CB 3.29Å; C78-C106 CovalentContact SG-SG 2.03Å; C78-C106 PolarHBondContact SG-SG 3.2Å; L98-C106 CarbonylContact O-C 3.55Å; L98-C106 WeakPolarHBondContact O-CA 3.21Å |
| 107 | Q | 93 | Very high | 94 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.1 | 175.8 | 61.6 | 174.8 | -7.2 | 0 | 0 | 110.9 | N54 C78 L98 D100 V105 | N54-Q107 PolarHBondContact ND2-NE2 2.77Å; C78-Q107 VanDerWaalsContact SG-C 3.54Å; C78-Q107 PolarHBondContact SG-N 3.02Å; L98-Q107 HydrophobicContact CB-CG 3.9Å; L98-Q107 PolarHBondContact N-O 2.93Å; L98-Q107 WeakPolarHBondContact O-CG 3.29Å; L98-Q107 PolarHBondContact O-N 2.74Å; D100-Q107 HydrophobicContact CB-CG 4.34Å; V105-Q107 PolarHBondContact O-N 2.71Å |
| 108 | C | 94.4 | Very high | 94 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 140.8 | 165.1 | -80.2 | 0 | 0 | 0 | 0 | 110.3 | C75 T95 | C75-C108 WeakPolarHBondContact CA-SG 3.41Å; C75-C108 HydrophobicContact CB-CB 3.77Å; C75-C108 WeakPolarHBondContact CB-SG 3.19Å; C75-C108 WeakPolarHBondContact SG-CB 3.32Å; C75-C108 CovalentContact SG-SG 2.04Å; C75-C108 PolarHBondContact SG-SG 3.22Å; T95-C108 HydrophobicContact CG2-CB 3.68Å |
| 109 | A | 95.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | T52 N54 T95 I96 L98 | T52-A109 HydrophobicContact CG2-CB 3.81Å; N54-A109 WeakPolarHBondContact OD1-CB 3.44Å; T95-A109 WeakPolarHBondContact CA-O 3.43Å; I96-A109 PolarHBondContact N-O 3.28Å; I96-A109 PolarHBondContact O-N 2.86Å; L98-A109 HydrophobicContact CD1-CB 3.87Å; L98-A109 HydrophobicContact CD2-CB 4.29Å |
| 110 | T | 96.7 | Very high | 93.9 | Very high | 54 Ų | 54 | 66.7 Ų | 66.7 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134.7 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | T52 V53 D94 A112 | T52-T110 CarbonylContact C-O 3.55Å; T52-T110 WeakPolarHBondContact CA-O 3.38Å; T52-T110 WeakPolarHBondContact CB-O 3.48Å; V53-T110 PolarHBondContact N-O 3.19Å; D94-T110 CarbonylContact O-C 3.6Å; D94-T110 WeakPolarHBondContact O-CA 3.12Å; T110-A112 PolarHBondContact O-N 3.01Å |
| 111 | V | 98.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 120.8 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | L50 T52 I90 G93 D94 I96 T113 V114 | L50-V111 HydrophobicContact CD2-CG1 4.5Å; T52-V111 HydrophobicContact CG2-CG2 4.45Å; I90-V111 HydrophobicContact CG2-CB 4.45Å; I90-V111 HydrophobicContact CG2-CG1 4.29Å; I90-V111 HydrophobicContact CG2-CG2 3.85Å; G93-V111 PolarHBondContact N-O 3.35Å; D94-V111 PolarHBondContact O-N 3.44Å; I96-V111 HydrophobicContact CD1-CG2 4.12Å; I96-V111 HydrophobicContact CG1-CG2 4.09Å; I96-V111 HydrophobicContact CG2-CG2 4.17Å; V111-T113 WeakPolarHBondContact CG1-O 3.27Å; V111-V114 HydrophobicContact CG1-CG2 3.66Å |
| 112 | A | 98.4 | Very high | 94 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -38.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T51 V53 V92 T110 | T51-A112 WeakPolarHBondContact O-CA 3.29Å; T51-A112 PolarHBondContact O-N 3.26Å; V53-A112 HydrophobicContact CG1-CB 3.9Å; V92-A112 WeakPolarHBondContact CG1-O 3.47Å; V92-A112 WeakPolarHBondContact CG2-O 3.2Å; T110-A112 PolarHBondContact O-N 3.01Å |
| 113 | T | 98.3 | Very high | 94.4 | Very high | 49 Ų | 49 | 56 Ų | 56 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.7 | 178.2 | 77.5 | 0 | 0 | 0 | 0 | 111.8 | T51 V111 | T51-T113 VanDerWaalsContact CB-OG1 3.23Å; T51-T113 WeakPolarHBondContact CB-OG1 3.16Å; T51-T113 PolarHBondContact N-O 2.89Å; T51-T113 PolarHBondContact O-N 3.03Å; T51-T113 PolarHBondContact OG1-OG1 3.46Å; V111-T113 WeakPolarHBondContact CG1-O 3.27Å |
| 114 | V | 98.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 49 Ų | 49 | 33% | 0.333 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 117.7 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | V48 R49 L50 V92 V111 | V48-V114 HydrophobicContact CG1-CG1 3.69Å; R49-V114 WeakPolarHBondContact O-CA 3.47Å; L50-V114 HydrophobicContact CD2-CB 4.37Å; L50-V114 HydrophobicContact CD2-CG1 4Å; L50-V114 HydrophobicContact CD2-CG2 3.83Å; V92-V114 HydrophobicContact CG2-CG2 4.11Å; V111-V114 HydrophobicContact CG1-CG2 3.66Å |
| 115 | E | 98 | Very high | 95.1 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.6 | -175.1 | -68.8 | 170.7 | -171.2 | 0 | 0 | 110.7 | V48 R49 | V48-E115 CarbonylContact C-O 3.54Å; V48-E115 WeakPolarHBondContact CA-O 3.48Å; R49-E115 HydrophobicContact CB-CB 4.42Å; R49-E115 PolarHBondContact N-O 2.97Å; R49-E115 IonicContact NH1-OE2 3.19Å; R49-E115 PolarHBondContact O-N 2.88Å |
| 116 | L | 97.7 | Very high | 95.3 | Very high | 118 Ų | 118 | 42.6 Ų | 42.6 | 62% | 0.618 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.7 | 169 | -72.2 | 172.4 | 0 | 0 | 0 | 109.8 | T46 F47 V48 | T46-L116 HydrophobicContact CG2-CD2 4.16Å; F47-L116 WeakPolarHBondContact O-CA 3.35Å; V48-L116 HydrophobicContact CG2-CD2 3.75Å |
| 117 | L | 97.4 | Very high | 95.5 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.9 | 175.6 | 67.3 | 92.7 | 0 | 0 | 0 | 110.9 | F47 R49 V59 A119 | F47-L117 HydrophobicContact CB-CD1 4Å; F47-L117 HydrophobicContact CB-CG 4.19Å; F47-L117 HydrophobicContact CD2-CD1 4.31Å; F47-L117 PolarHBondContact N-O 2.82Å; F47-L117 PolarHBondContact O-N 2.83Å; R49-L117 HydrophobicContact CB-CD2 3.59Å; R49-L117 HydrophobicContact CG-CD2 4.41Å; R49-L117 VanDerWaalsContact CZ-CD2 3.46Å; R49-L117 VanDerWaalsContact NE-CD2 3.29Å; V59-L117 HydrophobicContact CG1-CD1 4.41Å; L117-A119 HydrophobicContact CD1-CB 3.61Å |
| 118 | T | 96.8 | Very high | 95.7 | Very high | 99 Ų | 99 | 42.5 Ų | 42.5 | 61% | 0.607 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.5 | 171.5 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | Y44 H45 | Y44-T118 HydrophobicContact CD1-CG2 4.09Å; H45-T118 WeakPolarHBondContact O-CA 3.23Å |
| 119 | A | 93.9 | Very high | 95.7 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 166.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y44 H45 F47 L117 | Y44-A119 WeakPolarHBondContact CA-O 3.3Å; H45-A119 PolarHBondContact N-O 3.3Å; H45-A119 PolarHBondContact O-N 2.72Å; H45-A119 VanDerWaalsContact O-N 3.09Å; F47-A119 HydrophobicContact CD2-CB 3.85Å; F47-A119 HydrophobicContact CE2-CB 3.91Å; F47-A119 WeakPolarHBondContact CE2-O 3.3Å; L117-A119 HydrophobicContact CD1-CB 3.61Å |
| 120 | K | 92.3 | Very high | 95.7 | Very high | 115 Ų | 115 | 42.7 Ų | 42.7 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.2 | 179.9 | -159.4 | -174.6 | 179 | -178.6 | 0 | 110 | N42 L43 Y44 | N42-K120 VanDerWaalsContact CG-CE 3.42Å; N42-K120 WeakPolarHBondContact ND2-CE 3.46Å; N42-K120 WeakPolarHBondContact O-CE 3.12Å; N42-K120 WeakPolarHBondContact O-CG 3.39Å; N42-K120 WeakPolarHBondContact OD1-CD 3.49Å; N42-K120 WeakPolarHBondContact OD1-CE 3.32Å; N42-K120 VanDerWaalsContact OD1-CG 3.32Å; N42-K120 WeakPolarHBondContact OD1-CG 3.41Å; L43-K120 CarbonylContact O-C 3.58Å; L43-K120 WeakPolarHBondContact O-CA 3.33Å; Y44-K120 HydrophobicContact CD1-CB 4.18Å; Y44-K120 HydrophobicContact CE1-CB 4.07Å |
| 121 | G | 90.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 8% | 0.082 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 97 | 115.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D41 L43 F47 | D41-G121 VanDerWaalsContact O-CA 3.31Å; D41-G121 WeakPolarHBondContact O-CA 3.27Å; L43-G121 PolarHBondContact O-N 3.4Å; F47-G121 VanDerWaalsContact CZ-O 3.3Å; F47-G121 WeakPolarHBondContact CZ-O 3.36Å |
| 122 | A | 90.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R39 D41 H45 F47 | R39-A122 HydrophobicContact CG-CB 4.49Å; D41-A122 PolarHBondContact N-O 3.31Å; D41-A122 VanDerWaalsContact N-O 3.15Å; D41-A122 PolarHBondContact O-N 2.8Å; H45-A122 VanDerWaalsContact CD2-CB 3.43Å; H45-A122 WeakPolarHBondContact CD2-CB 3.3Å; F47-A122 HydrophobicContact CZ-CB 4.43Å |
| 123 | Y | 93.3 | Very high | 95.6 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 23% | 0.227 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 116.5 | -170.6 | -57.4 | -79.8 | 0 | 0 | 0 | 109.2 | I11 E12 W37 K40 | I11-Y123 HydrophobicContact CG1-CG 4.5Å; I11-Y123 HydrophobicContact CG2-CD2 3.69Å; I11-Y123 HydrophobicContact CG2-CE2 4.39Å; I11-Y123 HydrophobicContact CG2-CG 3.9Å; E12-Y123 HydrophobicContact CB-CD1 4.25Å; E12-Y123 HydrophobicContact CB-CE1 3.63Å; E12-Y123 HydrophobicContact CB-CE2 4.4Å; W37-Y123 HydrophobicContact CH2-CD1 4.4Å; W37-Y123 HydrophobicContact CZ3-CD1 4.36Å; K40-Y123 HydrophobicContact CG-CD1 4Å; K40-Y123 HydrophobicContact CG-CE1 4.17Å |
| 124 | A | 94 | Very high | 95.5 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 83 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L38 R39 | L38-A124 WeakPolarHBondContact CA-O 3.44Å; L38-A124 HydrophobicContact CB-CB 4.16Å; L38-A124 WeakPolarHBondContact CB-O 3.35Å; L38-A124 PolarHBondContact N-O 3.12Å; R39-A124 HydrophobicContact CB-CB 4.03Å; R39-A124 PolarHBondContact N-O 2.89Å; R39-A124 PolarHBondContact O-N 2.79Å |
| 125 | P | 95.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 144.7 | 171.2 | 32.3 | -33.4 | 0 | 0 | 0 | 110.5 | I11 L14 V34 W37 L132 C141 | I11-P125 HydrophobicContact CD1-CG 4.24Å; L14-P125 HydrophobicContact CD2-CB 3.5Å; L14-P125 HydrophobicContact CD2-CG 3.74Å; V34-P125 HydrophobicContact CG1-CB 4.07Å; W37-P125 HydrophobicContact CD2-CB 4.42Å; W37-P125 HydrophobicContact CE3-CB 4.07Å; W37-P125 HydrophobicContact CH2-CB 4.19Å; W37-P125 HydrophobicContact CH2-CG 4.38Å; W37-P125 HydrophobicContact CZ3-CB 3.93Å; W37-P125 HydrophobicContact CZ3-CG 4.16Å; P125-L132 HydrophobicContact CG-CD1 3.82Å; P125-C141 PolarHBondContact O-SG 2.83Å |
| 126 | A | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V34 Y35 A36 L38 | V34-A126 CarbonylContact C-O 3.51Å; V34-A126 WeakPolarHBondContact CA-O 3.16Å; Y35-A126 HydrophobicContact CD1-CB 4.08Å; Y35-A126 VanDerWaalsContact CD1-O 3.23Å; Y35-A126 WeakPolarHBondContact CD1-O 3.15Å; Y35-A126 HydrophobicContact CE1-CB 3.4Å; Y35-A126 HydrophobicContact CE2-CB 4.05Å; Y35-A126 PolarHBondContact N-O 2.65Å; Y35-A126 WeakPolarHBondContact OH-CB 3.27Å; A36-A126 HydrophobicContact CB-CB 4.26Å; A36-A126 PolarHBondContact O-N 2.91Å; L38-A126 HydrophobicContact CD1-CB 4.08Å; L38-A126 HydrophobicContact CD2-CB 3.97Å; L38-A126 HydrophobicContact CG-CB 3.85Å |
| 127 | T | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 155.9 | 179.9 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | V20 S32 K33 V34 Y35 S129 G130 S131 L132 C141 | V20-T127 HydrophobicContact CG2-CG2 3.57Å; S32-T127 WeakPolarHBondContact OG-CB 3.5Å; K33-T127 CarbonylContact O-C 3.53Å; K33-T127 VanDerWaalsContact O-CA 3.27Å; K33-T127 WeakPolarHBondContact O-CA 3.39Å; V34-T127 HydrophobicContact CG2-CG2 4.29Å; Y35-T127 VanDerWaalsContact CE1-O 3.29Å; Y35-T127 WeakPolarHBondContact CE1-O 3.42Å; T127-S129 PolarHBondContact O-N 2.62Å; T127-S129 PolarHBondContact OG1-OG 2.86Å; T127-G130 PolarHBondContact O-N 3.45Å; T127-G130 PolarHBondContact OG1-N 3.31Å; T127-S131 PolarHBondContact OG1-N 3.41Å; T127-S131 PolarHBondContact OG1-O 3.26Å; T127-L132 HydrophobicContact CG2-CB 4.1Å; T127-C141 PolarHBondContact N-SG 2.91Å; T127-C141 VanDerWaalsContact N-SG 3.4Å; T127-C141 PolarHBondContact OG1-SG 3Å; T127-C141 VanDerWaalsContact OG1-SG 3.35Å |
| 128 | M | 97 | Very high | 95.1 | Very high | 66 Ų | 66 | 27.9 Ų | 27.9 | 33% | 0.325 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28 | 179 | -71 | -63.2 | -77.2 | 0 | 0 | 113.1 | S32 K33 Y35 K165 Y168 V169 | S32-M128 PolarHBondContact OG-N 2.83Å; K33-M128 HydrophobicContact CB-CG 4.17Å; K33-M128 PolarHBondContact O-N 2.9Å; Y35-M128 HydrophobicContact CD1-CG 4.43Å; Y35-M128 HydrophobicContact CD1-SD 3.98Å; Y35-M128 HydrophobicContact CG-SD 4.23Å; M128-K165 HydrophobicContact CE-CB 4.28Å; M128-K165 PolarHBondContact O-NZ 2.85Å; M128-K165 HydrophobicContact SD-CB 4.13Å; M128-K165 HydrophobicContact SD-CD 4.39Å; M128-K165 HydrophobicContact SD-CG 4.02Å; M128-Y168 HydrophobicContact SD-CD1 4.41Å; M128-V169 HydrophobicContact CE-CG2 3.8Å |
| 129 | S | 95.5 | Very high | 95 | Very high | 45 Ų | 45 | 23.2 Ų | 23.2 | 32% | 0.315 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | D22 S32 T127 S131 | D22-S129 WeakPolarHBondContact OD2-CB 3.49Å; D22-S129 PolarHBondContact OD2-OG 2.74Å; S32-S129 WeakPolarHBondContact CB-OG 3.38Å; S32-S129 VanDerWaalsContact OG-CB 3.31Å; S32-S129 WeakPolarHBondContact OG-CB 3.21Å; S32-S129 PolarHBondContact OG-N 2.87Å; S32-S129 PolarHBondContact OG-OG 2.98Å; T127-S129 PolarHBondContact O-N 2.62Å; T127-S129 PolarHBondContact OG1-OG 2.86Å; S129-S131 PolarHBondContact O-N 2.92Å; S129-S131 PolarHBondContact OG-O 3.09Å; S129-S131 VanDerWaalsContact OG-O 3.07Å |
| 130 | G | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 83 | -5.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T127 C141 H153 D157 | T127-G130 PolarHBondContact O-N 3.45Å; T127-G130 PolarHBondContact OG1-N 3.31Å; G130-C141 VanDerWaalsContact C-SG 3.56Å; G130-C141 WeakPolarHBondContact O-CB 3.42Å; G130-C141 PolarHBondContact O-N 2.87Å; G130-C141 PolarHBondContact O-SG 3.09Å; G130-H153 PolarHBondContact O-CE1 3.48Å; G130-D157 WeakPolarHBondContact CA-OD1 3.38Å; G130-D157 PolarHBondContact N-OD1 3.39Å |
| 131 | S | 96 | Very high | 95.2 | Very high | 13 Ų | 13 | 16.3 Ų | 16.3 | 9% | 0.091 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 165.5 | 178.7 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | D22 T127 S129 V139 | D22-S131 VanDerWaalsContact CG-OG 3.29Å; D22-S131 PolarHBondContact OD1-OG 3.03Å; D22-S131 VanDerWaalsContact OD1-OG 3.1Å; D22-S131 VanDerWaalsContact OD2-O 3.07Å; D22-S131 PolarHBondContact OD2-OG 2.9Å; T127-S131 PolarHBondContact OG1-N 3.41Å; T127-S131 PolarHBondContact OG1-O 3.26Å; S129-S131 PolarHBondContact O-N 2.92Å; S129-S131 PolarHBondContact OG-O 3.09Å; S129-S131 VanDerWaalsContact OG-O 3.07Å; S131-V139 VanDerWaalsContact CA-O 3.28Å; S131-V139 WeakPolarHBondContact CA-O 3.33Å; S131-V139 WeakPolarHBondContact CB-O 3.23Å |
| 132 | L | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 166.1 | 174.7 | 72.6 | 171.1 | 0 | 0 | 0 | 111.2 | L2 V20 P125 T127 V134 V139 | L2-L132 HydrophobicContact CD2-CD1 3.97Å; V20-L132 HydrophobicContact CG2-CB 3.95Å; V20-L132 HydrophobicContact CG2-CD1 4.39Å; P125-L132 HydrophobicContact CG-CD1 3.82Å; T127-L132 HydrophobicContact CG2-CB 4.1Å; L132-V134 HydrophobicContact CD1-CG2 4.05Å; L132-V134 HydrophobicContact CD2-CG2 4.42Å; L132-V134 HydrophobicContact CG-CG2 3.94Å; L132-V139 HydrophobicContact CD2-CG2 3.83Å; L132-V139 HydrophobicContact CG-CG2 4.36Å; L132-V139 PolarHBondContact N-O 3.03Å; L132-V139 PolarHBondContact O-N 3.45Å |
| 133 | L | 96.8 | Very high | 95 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.7 | 171.8 | -70.3 | 165.3 | 0 | 0 | 0 | 111.6 | L2 A21 I23 L29 L99 T137 L138 | L2-L133 WeakPolarHBondContact CD2-O 3.48Å; A21-L133 HydrophobicContact CB-CB 4.49Å; A21-L133 HydrophobicContact CB-CD1 3.93Å; A21-L133 WeakPolarHBondContact O-CB 3.37Å; A21-L133 PolarHBondContact O-N 2.89Å; I23-L133 HydrophobicContact CD1-CD1 4.24Å; I23-L133 HydrophobicContact CD1-CD2 3.88Å; I23-L133 HydrophobicContact CG1-CD1 3.88Å; I23-L133 HydrophobicContact CG1-CD2 4.16Å; I23-L133 HydrophobicContact CG1-CG 4.27Å; L29-L133 HydrophobicContact CD1-CD1 4.17Å; L99-L133 HydrophobicContact CB-CD1 3.86Å; L99-L133 HydrophobicContact CB-CD2 4Å; L99-L133 HydrophobicContact CD1-CD1 4.37Å; L99-L133 HydrophobicContact CD2-CD1 3.74Å; L99-L133 HydrophobicContact CG-CD1 4.2Å; L133-T137 WeakPolarHBondContact CA-O 3.45Å; L133-L138 HydrophobicContact CD2-CB 4.04Å; L133-L138 HydrophobicContact CD2-CD1 4.38Å |
| 134 | V | 96.2 | Very high | 93.9 | Very high | 20 Ų | 20 | 16.2 Ų | 16.2 | 12% | 0.121 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.6 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 109 | L2 L132 N136 T137 V139 | L2-V134 HydrophobicContact CD2-CB 4.36Å; L2-V134 HydrophobicContact CD2-CG2 3.79Å; L132-V134 HydrophobicContact CD1-CG2 4.05Å; L132-V134 HydrophobicContact CD2-CG2 4.42Å; L132-V134 HydrophobicContact CG-CG2 3.94Å; V134-N136 PolarHBondContact O-N 3.2Å; V134-T137 PolarHBondContact N-O 3.5Å; V134-T137 WeakPolarHBondContact O-CB 3.04Å; V134-T137 PolarHBondContact O-N 3.15Å; V134-V139 HydrophobicContact CB-CG2 4.18Å; V134-V139 HydrophobicContact CG2-CG2 3.66Å |
| 135 | D | 95.1 | Very high | 92.1 | Very high | 67 Ų | 67 | 19 Ų | 19 | 36% | 0.358 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 44.5 | -176.3 | -68 | -54.1 | 0 | 0 | 0 | 111.8 | M1 T137 | M1-D135 WeakPolarHBondContact CA-OD1 3.49Å; M1-D135 WeakPolarHBondContact CB-OD1 3.44Å; M1-D135 PolarHBondContact N-OD1 2.89Å; M1-D135 PolarHBondContact N-OD2 2.87Å; M1-D135 PolarHBondContact O-N 3.48Å; D135-T137 PolarHBondContact O-N 3.29Å; D135-T137 VanDerWaalsContact O-N 3.15Å |
| 136 | N | 94.2 | Very high | 90 | Very high | 19 Ų | 19 | 21.1 Ų | 21.1 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -1 | -175.4 | -62.9 | 83.8 | 0 | 0 | 0 | 115.4 | L98 L99 K101 V134 | L98-N136 CarbonylContact C-O 3.57Å; L98-N136 WeakPolarHBondContact CA-O 3.27Å; L98-N136 WeakPolarHBondContact CB-O 3.49Å; L99-N136 PolarHBondContact N-O 3.31Å; L99-N136 WeakPolarHBondContact O-CB 3.31Å; L99-N136 PolarHBondContact O-ND2 2.8Å; K101-N136 WeakPolarHBondContact CE-OD1 2.9Å; K101-N136 WeakPolarHBondContact CG-ND2 3.35Å; V134-N136 PolarHBondContact O-N 3.2Å |
| 137 | T | 96.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.2 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | I66 I96 L98 L133 V134 D135 V139 | I66-T137 HydrophobicContact CD1-CG2 4.14Å; I96-T137 HydrophobicContact CD1-CG2 4.05Å; L98-T137 HydrophobicContact CD1-CG2 4.28Å; L133-T137 WeakPolarHBondContact CA-O 3.45Å; V134-T137 PolarHBondContact N-O 3.5Å; V134-T137 WeakPolarHBondContact O-CB 3.04Å; V134-T137 PolarHBondContact O-N 3.15Å; D135-T137 PolarHBondContact O-N 3.29Å; D135-T137 VanDerWaalsContact O-N 3.15Å; T137-V139 HydrophobicContact CG2-CG1 3.99Å; T137-V139 PolarHBondContact O-N 3.26Å |
| 138 | L | 96.7 | Very high | 85.4 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 119.6 | 175.6 | -178.2 | 66.2 | 0 | 0 | 0 | 109.4 | D22 I23 F67 P79 F97 L133 | D22-L138 WeakPolarHBondContact OD1-CD1 3.16Å; I23-L138 HydrophobicContact CB-CD1 4.39Å; F67-L138 HydrophobicContact CD2-CD2 4.08Å; F67-L138 HydrophobicContact CD2-CG 3.77Å; F67-L138 HydrophobicContact CE2-CD2 4.45Å; F67-L138 HydrophobicContact CE2-CG 4.02Å; F67-L138 HydrophobicContact CG-CD2 4.45Å; P79-L138 HydrophobicContact CB-CD2 4.4Å; P79-L138 HydrophobicContact CG-CD2 3.69Å; F97-L138 HydrophobicContact CB-CB 4.13Å; F97-L138 HydrophobicContact CB-CD2 4.21Å; F97-L138 WeakPolarHBondContact O-CB 3.07Å; F97-L138 PolarHBondContact O-N 2.88Å; L133-L138 HydrophobicContact CD2-CB 4.04Å; L133-L138 HydrophobicContact CD2-CD1 4.38Å |
| 139 | V | 96.2 | Very high | 83.4 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.7 | -176.9 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L60 I66 S131 L132 V134 T137 | L60-V139 HydrophobicContact CD1-CG1 3.94Å; L60-V139 HydrophobicContact CD2-CG1 4.09Å; I66-V139 HydrophobicContact CD1-CG1 4.36Å; I66-V139 HydrophobicContact CG1-CG1 4.41Å; S131-V139 VanDerWaalsContact CA-O 3.28Å; S131-V139 WeakPolarHBondContact CA-O 3.33Å; S131-V139 WeakPolarHBondContact CB-O 3.23Å; L132-V139 HydrophobicContact CD2-CG2 3.83Å; L132-V139 HydrophobicContact CG-CG2 4.36Å; L132-V139 PolarHBondContact N-O 3.03Å; L132-V139 PolarHBondContact O-N 3.45Å; V134-V139 HydrophobicContact CB-CG2 4.18Å; V134-V139 HydrophobicContact CG2-CG2 3.66Å; T137-V139 HydrophobicContact CG2-CG1 3.99Å; T137-V139 PolarHBondContact O-N 3.26Å |
| 140 | S | 95.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 149.6 | 175.4 | 155.4 | 0 | 0 | 0 | 0 | 110 | H64 L65 Y142 H153 | H64-S140 PolarHBondContact CE1-O 3.05Å; H64-S140 PolarHBondContact NE2-O 3.19Å; L65-S140 WeakPolarHBondContact O-CB 3.37Å; L65-S140 PolarHBondContact O-N 3.01Å; S140-Y142 PolarHBondContact O-N 2.82Å; S140-Y142 PolarHBondContact OG-N 2.78Å; S140-Y142 PolarHBondContact OG-O 2.79Å; S140-H153 VanDerWaalsContact CB-ND1 3.3Å; S140-H153 WeakPolarHBondContact CB-ND1 3.08Å; S140-H153 PolarHBondContact OG-ND1 3.31Å |
| 141 | C | 94.6 | Very high | 80.1 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -12.1 | 172 | -70.1 | 0 | 0 | 0 | 0 | 113.5 | P125 T127 G130 | P125-C141 PolarHBondContact O-SG 2.83Å; T127-C141 PolarHBondContact N-SG 2.91Å; T127-C141 VanDerWaalsContact N-SG 3.4Å; T127-C141 PolarHBondContact OG1-SG 3Å; T127-C141 VanDerWaalsContact OG1-SG 3.35Å; G130-C141 VanDerWaalsContact C-SG 3.56Å; G130-C141 WeakPolarHBondContact O-CB 3.42Å; G130-C141 PolarHBondContact O-N 2.87Å; G130-C141 PolarHBondContact O-SG 3.09Å |
| 142 | Y | 91.1 | Very high | 79.3 | Confident | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 159.6 | -165.8 | -48.5 | -62 | 0 | 0 | 0 | 113.2 | Y35 L38 L65 S140 H153 V156 D157 F161 | Y35-Y142 PolarHBondContact OH-OH 3.05Å; L38-Y142 HydrophobicContact CD1-CD1 3.87Å; L38-Y142 HydrophobicContact CD1-CE1 3.96Å; L65-Y142 WeakPolarHBondContact CB-O 3.41Å; L65-Y142 WeakPolarHBondContact CG-O 3.41Å; L65-Y142 PolarHBondContact N-O 3.38Å; S140-Y142 PolarHBondContact O-N 2.82Å; S140-Y142 PolarHBondContact OG-N 2.78Å; S140-Y142 PolarHBondContact OG-O 2.79Å; Y142-H153 AromaticContact CD2-ND1 3.79Å; Y142-V156 HydrophobicContact CD1-CG1 3.73Å; Y142-V156 HydrophobicContact CD2-CB 4.38Å; Y142-V156 HydrophobicContact CD2-CG1 4.03Å; Y142-V156 HydrophobicContact CE1-CG1 4.25Å; Y142-V156 HydrophobicContact CG-CB 4.35Å; Y142-V156 HydrophobicContact CG-CG1 3.6Å; Y142-D157 HydrophobicContact CD2-CB 4.42Å; Y142-D157 HydrophobicContact CE2-CB 3.6Å; Y142-D157 WeakPolarHBondContact CE2-OD1 3.37Å; Y142-D157 PolarHBondContact OH-OD1 2.96Å; Y142-F161 AromaticContact CD1-CD2 3.85Å; Y142-F161 HydrophobicContact CD1-CD2 3.85Å; Y142-F161 AromaticContact CD1-CE2 3.59Å; Y142-F161 HydrophobicContact CD1-CE2 3.59Å; Y142-F161 HydrophobicContact CD1-CZ 4.2Å; Y142-F161 HydrophobicContact CE1-CB 4.45Å; Y142-F161 HydrophobicContact CE1-CD1 4.27Å; Y142-F161 AromaticContact CE1-CD2 3.38Å; Y142-F161 HydrophobicContact CE1-CD2 3.38Å; Y142-F161 HydrophobicContact CE1-CE1 4.43Å; Y142-F161 AromaticContact CE1-CE2 3.53Å; Y142-F161 HydrophobicContact CE1-CE2 3.53Å; Y142-F161 AromaticContact CE1-CG 3.77Å; Y142-F161 HydrophobicContact CE1-CG 3.77Å; Y142-F161 HydrophobicContact CE1-CZ 4.07Å |
| 143 | T | 85.4 | Confident | 78.8 | Confident | 33 Ų | 33 | 47 Ų | 47 | 20% | 0.202 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148.7 | 175.9 | 59.7 | 0 | 0 | 0 | 0 | 109.3 | N63 Y145 | N63-T143 VanDerWaalsContact O-CA 3.27Å; N63-T143 WeakPolarHBondContact O-CA 3.17Å; N63-T143 WeakPolarHBondContact O-CB 3.19Å; T143-Y145 HydrophobicContact CG2-CE2 4.38Å; T143-Y145 PolarHBondContact O-N 3.17Å; T143-Y145 VanDerWaalsContact O-N 3.09Å; T143-Y145 WeakPolarHBondContact OG1-CD2 3.39Å; T143-Y145 WeakPolarHBondContact OG1-CE2 3.19Å |
| 144 | S | 69.8 | Low | 78.5 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | trans | -77.3 | 100.9 | 172 | 72.2 | 0 | 0 | 0 | 0 | 109.7 | N63 L86 | N63-S144 PolarHBondContact O-N 2.91Å; L86-S144 WeakPolarHBondContact CD1-OG 3.27Å; L86-S144 WeakPolarHBondContact CD2-OG 3.47Å; L86-S144 WeakPolarHBondContact CG-OG 3.31Å | ||
| 145 | Y | 56.1 | Low | 78.1 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 30% | 0.302 | 27% | 0.269 | S | S | . | . | trans | -111 | 11.9 | 171.1 | -78.8 | -52.3 | 0 | 0 | 0 | 113 | N63 T143 R205 | N63-Y145 WeakPolarHBondContact ND2-CE1 3.47Å; N63-Y145 PolarHBondContact ND2-OH 3.32Å; T143-Y145 HydrophobicContact CG2-CE2 4.38Å; T143-Y145 PolarHBondContact O-N 3.17Å; T143-Y145 VanDerWaalsContact O-N 3.09Å; T143-Y145 WeakPolarHBondContact OG1-CD2 3.39Å; T143-Y145 WeakPolarHBondContact OG1-CE2 3.19Å; Y145-R205 PolarHBondContact O-NE 2.92Å | ||
| 146 | W | 52 | Low | 77.8 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 19% | 0.186 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -130 | 147.9 | -155.5 | -70.9 | 113.4 | 0 | 0 | 0 | 115.5 | F148 V151 W201 F204 | W146-F148 PolarHBondContact O-N 3.13Å; W146-F148 VanDerWaalsContact O-N 3.15Å; W146-V151 HydrophobicContact CB-CB 4.09Å; W146-V151 HydrophobicContact CB-CG1 4.42Å; W146-V151 HydrophobicContact CB-CG2 4.41Å; W146-W201 HydrophobicContact CH2-CB 3.3Å; W146-W201 AromaticContact CH2-CD2 3.58Å; W146-W201 HydrophobicContact CH2-CD2 3.58Å; W146-W201 AromaticContact CH2-CE3 3.33Å; W146-W201 HydrophobicContact CH2-CE3 3.33Å; W146-W201 AromaticContact CH2-CG 3.59Å; W146-W201 HydrophobicContact CH2-CG 3.59Å; W146-W201 HydrophobicContact CH2-CZ3 4.34Å; W146-W201 WeakPolarHBondContact CH2-O 3.22Å; W146-W201 HydrophobicContact CZ2-CB 3.23Å; W146-W201 AromaticContact CZ2-CD2 3.7Å; W146-W201 HydrophobicContact CZ2-CD2 3.7Å; W146-W201 AromaticContact CZ2-CE3 3.9Å; W146-W201 HydrophobicContact CZ2-CE3 3.9Å; W146-W201 AromaticContact CZ2-CG 3.42Å; W146-W201 HydrophobicContact CZ2-CG 3.42Å; W146-W201 VanDerWaalsContact CZ2-CG 3.42Å; W146-W201 HydrophobicContact CZ3-CE3 4.22Å; W146-F204 HydrophobicContact CZ3-CB 4.2Å |
| 147 | F | 47.7 | Very low | 77.7 | Confident | 119 Ų | 119 | 52.5 Ų | 52.5 | 52% | 0.522 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | 8 | 88 | 161.5 | -82.2 | -91.2 | 0 | 0 | 0 | 114.7 | D149 F150 V151 | F147-D149 PolarHBondContact O-N 3.09Å; F147-F150 PolarHBondContact O-N 2.78Å; F147-V151 HydrophobicContact CB-CG2 4.13Å |
| 148 | F | 48.8 | Very low | 77.4 | Confident | 156 Ų | 156 | 60.5 Ų | 60.5 | 68% | 0.684 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | 52.4 | 44.4 | 155.8 | -62.3 | -83.7 | 0 | 0 | 0 | 116.5 | W146 F150 | W146-F148 PolarHBondContact O-N 3.13Å; W146-F148 VanDerWaalsContact O-N 3.15Å; F148-F150 PolarHBondContact O-N 3.18Å |
| 149 | D | 55.3 | Low | 77.1 | Confident | 141 Ų | 141 | 64.1 Ų | 64.1 | 75% | 0.754 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | 55.9 | 3.8 | 177.8 | -60.1 | -42.7 | 0 | 0 | 0 | 115.1 | F147 | F147-D149 PolarHBondContact O-N 3.09Š|
| 150 | F | 53.1 | Low | 76.7 | Confident | 188 Ų | 188 | 64.6 Ų | 64.6 | 83% | 0.825 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -26.2 | -175.3 | -134.9 | -88.9 | 0 | 0 | 0 | 110.8 | F147 F148 G152 | F147-F150 PolarHBondContact O-N 2.78Å; F148-F150 PolarHBondContact O-N 3.18Å; F150-G152 PolarHBondContact O-N 3.27Å |
| 151 | V | 67.6 | Low | 76.6 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 17% | 0.17 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -95.5 | 82.6 | -176.5 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | W146 F147 F155 V156 | W146-V151 HydrophobicContact CB-CB 4.09Å; W146-V151 HydrophobicContact CB-CG1 4.42Å; W146-V151 HydrophobicContact CB-CG2 4.41Å; F147-V151 HydrophobicContact CB-CG2 4.13Å; V151-F155 HydrophobicContact CG1-CB 4.06Å; V151-F155 HydrophobicContact CG1-CD1 3.46Å; V151-F155 VanDerWaalsContact CG1-CD1 3.46Å; V151-F155 HydrophobicContact CG1-CE1 4.23Å; V151-F155 HydrophobicContact CG1-CG 4.06Å; V151-V156 HydrophobicContact CG1-CG2 3.62Å |
| 152 | G | 78.9 | Confident | 76.6 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | trans | -72.1 | 170.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F150 Y154 F155 V156 | F150-G152 PolarHBondContact O-N 3.27Å; G152-Y154 PolarHBondContact O-N 2.92Å; G152-Y154 VanDerWaalsContact O-N 3.09Å; G152-F155 PolarHBondContact O-N 3.2Å; G152-V156 PolarHBondContact O-N 2.6Å | ||
| 153 | H | 88.6 | Confident | 76.8 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.028 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -43 | -46.2 | 177.6 | 159.8 | 97.8 | 0 | 0 | 0 | 113.5 | L65 F67 V84 G130 S140 Y142 F155 V156 D157 | L65-H153 HydrophobicContact CD1-CB 4.09Å; F67-H153 AromaticContact CZ-CE1 3.83Å; F67-H153 AromaticContact CZ-NE2 3.97Å; V84-H153 HydrophobicContact CB-CB 4.17Å; V84-H153 HydrophobicContact CG1-CB 3.67Å; V84-H153 HydrophobicContact CG2-CB 4.18Å; G130-H153 PolarHBondContact O-CE1 3.48Å; S140-H153 VanDerWaalsContact CB-ND1 3.3Å; S140-H153 WeakPolarHBondContact CB-ND1 3.08Å; S140-H153 PolarHBondContact OG-ND1 3.31Å; Y142-H153 AromaticContact CD2-ND1 3.79Å; H153-F155 PolarHBondContact O-N 2.62Å; H153-V156 PolarHBondContact O-N 3.41Å; H153-D157 VanDerWaalsContact O-CB 3.29Å; H153-D157 WeakPolarHBondContact O-CB 3.19Å; H153-D157 PolarHBondContact O-N 2.9Å |
| 154 | Y | 89.4 | Confident | 77.2 | Confident | 101 Ų | 101 | 68 Ų | 68 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.8 | -34.3 | -176.3 | -62.3 | -68 | 0 | 0 | 0 | 113.9 | H82 V84 G152 R158 | H82-Y154 PolarHBondContact NE2-OH 3.09Å; V84-Y154 HydrophobicContact CG2-CE2 4.41Å; G152-Y154 PolarHBondContact O-N 2.92Å; G152-Y154 VanDerWaalsContact O-N 3.09Å; Y154-R158 VanDerWaalsContact O-CB 3.25Å; Y154-R158 WeakPolarHBondContact O-CB 3.25Å; Y154-R158 VanDerWaalsContact O-CG 3.27Å; Y154-R158 WeakPolarHBondContact O-CG 3.43Å; Y154-R158 PolarHBondContact O-N 3.43Å; Y154-R158 VanDerWaalsContact O-N 3.09Å |
| 155 | F | 88.1 | Confident | 78.4 | Confident | 106 Ų | 106 | 67.6 Ų | 67.6 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.7 | -43.5 | 176.5 | -173.9 | -80.3 | 0 | 0 | 0 | 110.5 | V151 G152 H153 D157 R158 V159 V160 | V151-F155 HydrophobicContact CG1-CB 4.06Å; V151-F155 HydrophobicContact CG1-CD1 3.46Å; V151-F155 VanDerWaalsContact CG1-CD1 3.46Å; V151-F155 HydrophobicContact CG1-CE1 4.23Å; V151-F155 HydrophobicContact CG1-CG 4.06Å; G152-F155 PolarHBondContact O-N 3.2Å; H153-F155 PolarHBondContact O-N 2.62Å; F155-D157 VanDerWaalsContact C-N 3.33Å; F155-D157 PolarHBondContact O-N 3.15Å; F155-R158 PolarHBondContact O-N 3.04Å; F155-V159 HydrophobicContact CD1-CB 4.1Å; F155-V159 HydrophobicContact CD1-CG2 4.49Å; F155-V159 HydrophobicContact CD2-CB 4.41Å; F155-V159 HydrophobicContact CD2-CG2 3.96Å; F155-V159 HydrophobicContact CE1-CB 3.94Å; F155-V159 HydrophobicContact CE1-CG1 3.98Å; F155-V159 HydrophobicContact CE1-CG2 4.49Å; F155-V159 HydrophobicContact CE2-CB 4.24Å; F155-V159 HydrophobicContact CE2-CG1 4.29Å; F155-V159 HydrophobicContact CE2-CG2 3.93Å; F155-V159 HydrophobicContact CG-CB 4.37Å; F155-V159 HydrophobicContact CG-CG2 4.26Å; F155-V159 HydrophobicContact CZ-CB 4.01Å; F155-V159 HydrophobicContact CZ-CG1 3.79Å; F155-V159 HydrophobicContact CZ-CG2 4.22Å; F155-V159 WeakPolarHBondContact O-CA 3.43Å; F155-V159 VanDerWaalsContact O-CB 3.3Å; F155-V159 WeakPolarHBondContact O-CB 3.4Å; F155-V159 PolarHBondContact O-N 2.87Å; F155-V160 HydrophobicContact CD1-CG2 4.01Å; F155-V160 HydrophobicContact CE1-CG2 3.98Å; F155-V160 PolarHBondContact O-N 3.17Å |
| 156 | V | 88.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -56.1 | -51.7 | 175.2 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | Y142 V151 G152 H153 R158 V160 F161 | Y142-V156 HydrophobicContact CD1-CG1 3.73Å; Y142-V156 HydrophobicContact CD2-CB 4.38Å; Y142-V156 HydrophobicContact CD2-CG1 4.03Å; Y142-V156 HydrophobicContact CE1-CG1 4.25Å; Y142-V156 HydrophobicContact CG-CB 4.35Å; Y142-V156 HydrophobicContact CG-CG1 3.6Å; V151-V156 HydrophobicContact CG1-CG2 3.62Å; G152-V156 PolarHBondContact O-N 2.6Å; H153-V156 PolarHBondContact O-N 3.41Å; V156-R158 PolarHBondContact O-N 2.72Å; V156-V160 HydrophobicContact CG1-CB 4.49Å; V156-V160 WeakPolarHBondContact O-CB 3.32Å; V156-V160 PolarHBondContact O-N 3.29Å; V156-F161 HydrophobicContact CG1-CD2 3.45Å; V156-F161 VanDerWaalsContact CG1-CD2 3.45Å; V156-F161 HydrophobicContact CG1-CE2 3.47Å; V156-F161 VanDerWaalsContact CG1-CE2 3.47Å; V156-F161 WeakPolarHBondContact O-CD2 3.47Å; V156-F161 PolarHBondContact O-N 2.81Å |
| 157 | D | 91.7 | Very high | 82.5 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -59.7 | -49.5 | -178.8 | -174.8 | 72.9 | 0 | 0 | 0 | 113.4 | G130 Y142 H153 F155 K165 | G130-D157 WeakPolarHBondContact CA-OD1 3.38Å; G130-D157 PolarHBondContact N-OD1 3.39Å; Y142-D157 HydrophobicContact CD2-CB 4.42Å; Y142-D157 HydrophobicContact CE2-CB 3.6Å; Y142-D157 WeakPolarHBondContact CE2-OD1 3.37Å; Y142-D157 PolarHBondContact OH-OD1 2.96Å; H153-D157 VanDerWaalsContact O-CB 3.29Å; H153-D157 WeakPolarHBondContact O-CB 3.19Å; H153-D157 PolarHBondContact O-N 2.9Å; F155-D157 VanDerWaalsContact C-N 3.33Å; F155-D157 PolarHBondContact O-N 3.15Å; D157-K165 WeakPolarHBondContact OD1-CE 3.36Å; D157-K165 IonicContact OD1-NZ 2.65Å; D157-K165 PolarHBondContact OD1-NZ 3.2Å; D157-K165 IonicContact OD2-NZ 3.13Å; D157-K165 PolarHBondContact OD2-NZ 3.03Å |
| 158 | R | 91.2 | Very high | 84.8 | Confident | 169 Ų | 169 | 65 Ų | 65 | 64% | 0.638 | 32% | 0.32 | S | S | * | . | I | π-helix | trans | -92.1 | -22.1 | -167.3 | -63.5 | 177.5 | 179.5 | 162.7 | 1.4 | 114.4 | Y154 F155 V156 A162 | Y154-R158 VanDerWaalsContact O-CB 3.25Å; Y154-R158 WeakPolarHBondContact O-CB 3.25Å; Y154-R158 VanDerWaalsContact O-CG 3.27Å; Y154-R158 WeakPolarHBondContact O-CG 3.43Å; Y154-R158 PolarHBondContact O-N 3.43Å; Y154-R158 VanDerWaalsContact O-N 3.09Å; F155-R158 PolarHBondContact O-N 3.04Å; V156-R158 PolarHBondContact O-N 2.72Å; R158-A162 WeakPolarHBondContact O-CB 3.33Å |
| 159 | V | 89.8 | Confident | 87 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -114.5 | -56.6 | -176.7 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | F155 | F155-V159 HydrophobicContact CD1-CB 4.1Å; F155-V159 HydrophobicContact CD1-CG2 4.49Å; F155-V159 HydrophobicContact CD2-CB 4.41Å; F155-V159 HydrophobicContact CD2-CG2 3.96Å; F155-V159 HydrophobicContact CE1-CB 3.94Å; F155-V159 HydrophobicContact CE1-CG1 3.98Å; F155-V159 HydrophobicContact CE1-CG2 4.49Å; F155-V159 HydrophobicContact CE2-CB 4.24Å; F155-V159 HydrophobicContact CE2-CG1 4.29Å; F155-V159 HydrophobicContact CE2-CG2 3.93Å; F155-V159 HydrophobicContact CG-CB 4.37Å; F155-V159 HydrophobicContact CG-CG2 4.26Å; F155-V159 HydrophobicContact CZ-CB 4.01Å; F155-V159 HydrophobicContact CZ-CG1 3.79Å; F155-V159 HydrophobicContact CZ-CG2 4.22Å; F155-V159 WeakPolarHBondContact O-CA 3.43Å; F155-V159 VanDerWaalsContact O-CB 3.3Å; F155-V159 WeakPolarHBondContact O-CB 3.4Å; F155-V159 PolarHBondContact O-N 2.87Å |
| 160 | V | 88.4 | Confident | 89 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -68.2 | -43.8 | -175.4 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | F155 V156 Y197 W201 | F155-V160 HydrophobicContact CD1-CG2 4.01Å; F155-V160 HydrophobicContact CE1-CG2 3.98Å; F155-V160 PolarHBondContact O-N 3.17Å; V156-V160 HydrophobicContact CG1-CB 4.49Å; V156-V160 WeakPolarHBondContact O-CB 3.32Å; V156-V160 PolarHBondContact O-N 3.29Å; V160-Y197 WeakPolarHBondContact O-CE1 3.31Å; V160-Y197 PolarHBondContact O-OH 3.21Å; V160-W201 HydrophobicContact CG1-CD2 4.42Å; V160-W201 HydrophobicContact CG1-CZ2 4Å |
| 161 | F | 92.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.044 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -94.9 | -3 | -177.9 | -79 | -82.9 | 0 | 0 | 0 | 114.6 | Y35 L38 Y142 V156 L164 K165 Y197 V198 | Y35-F161 WeakPolarHBondContact OH-CB 3.43Å; Y35-F161 VanDerWaalsContact OH-CD1 3.27Å; Y35-F161 WeakPolarHBondContact OH-CD1 3.45Å; L38-F161 HydrophobicContact CD1-CE1 4.12Å; L38-F161 HydrophobicContact CD1-CZ 3.88Å; L38-F161 HydrophobicContact CD2-CD1 4.29Å; L38-F161 HydrophobicContact CD2-CE1 3.39Å; L38-F161 HydrophobicContact CD2-CZ 3.9Å; L38-F161 HydrophobicContact CG-CE1 4.42Å; Y142-F161 AromaticContact CD1-CD2 3.85Å; Y142-F161 HydrophobicContact CD1-CD2 3.85Å; Y142-F161 AromaticContact CD1-CE2 3.59Å; Y142-F161 HydrophobicContact CD1-CE2 3.59Å; Y142-F161 HydrophobicContact CD1-CZ 4.2Å; Y142-F161 HydrophobicContact CE1-CB 4.45Å; Y142-F161 HydrophobicContact CE1-CD1 4.27Å; Y142-F161 AromaticContact CE1-CD2 3.38Å; Y142-F161 HydrophobicContact CE1-CD2 3.38Å; Y142-F161 HydrophobicContact CE1-CE1 4.43Å; Y142-F161 AromaticContact CE1-CE2 3.53Å; Y142-F161 HydrophobicContact CE1-CE2 3.53Å; Y142-F161 AromaticContact CE1-CG 3.77Å; Y142-F161 HydrophobicContact CE1-CG 3.77Å; Y142-F161 HydrophobicContact CE1-CZ 4.07Å; V156-F161 HydrophobicContact CG1-CD2 3.45Å; V156-F161 VanDerWaalsContact CG1-CD2 3.45Å; V156-F161 HydrophobicContact CG1-CE2 3.47Å; V156-F161 VanDerWaalsContact CG1-CE2 3.47Å; V156-F161 WeakPolarHBondContact O-CD2 3.47Å; V156-F161 PolarHBondContact O-N 2.81Å; F161-L164 HydrophobicContact CD1-CD1 3.7Å; F161-L164 HydrophobicContact CE1-CD1 3.89Å; F161-L164 PolarHBondContact O-N 2.75Å; F161-K165 WeakPolarHBondContact O-CG 3.44Å; F161-K165 PolarHBondContact O-N 3.15Å; F161-Y197 HydrophobicContact CD1-CD1 4.46Å; F161-Y197 HydrophobicContact CD1-CE1 4.48Å; F161-Y197 HydrophobicContact CE1-CD1 4.12Å; F161-V198 HydrophobicContact CZ-CG2 4.17Å |
| 162 | A | 94.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 22% | 0.223 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.9 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R158 L164 K165 I166 | R158-A162 WeakPolarHBondContact O-CB 3.33Å; A162-L164 VanDerWaalsContact C-N 3.31Å; A162-L164 PolarHBondContact O-N 2.72Å; A162-K165 PolarHBondContact O-N 3.13Å; A162-I166 WeakPolarHBondContact O-CG1 3.48Å; A162-I166 PolarHBondContact O-N 3.06Å |
| 163 | P | 95.1 | Very high | 92.9 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 178.8 | -26.6 | 36.1 | 0 | 0 | 0 | 113.2 | I166 F167 | P163-I166 PolarHBondContact O-N 3.35Å; P163-F167 VanDerWaalsContact O-CB 3.31Å; P163-F167 WeakPolarHBondContact O-CB 3.37Å; P163-F167 PolarHBondContact O-N 3.17Å |
| 164 | L | 93.6 | Very high | 93.1 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 177.8 | -70.8 | -178.1 | 0 | 0 | 0 | 112.3 | Y35 F161 A162 F167 Y168 M188 L195 Y197 | Y35-L164 HydrophobicContact CE2-CB 3.88Å; F161-L164 HydrophobicContact CD1-CD1 3.7Å; F161-L164 HydrophobicContact CE1-CD1 3.89Å; F161-L164 PolarHBondContact O-N 2.75Å; A162-L164 VanDerWaalsContact C-N 3.31Å; A162-L164 PolarHBondContact O-N 2.72Å; L164-F167 PolarHBondContact O-N 2.83Å; L164-Y168 WeakPolarHBondContact O-CB 3.39Å; L164-Y168 PolarHBondContact O-N 3.22Å; L164-M188 HydrophobicContact CB-CE 3.76Å; L164-M188 HydrophobicContact CD1-CE 4.42Å; L164-M188 HydrophobicContact CD2-CE 3.9Å; L164-M188 HydrophobicContact CD2-SD 3.71Å; L164-M188 HydrophobicContact CG-CE 4.23Å; L164-L195 HydrophobicContact CD1-CD2 4.13Å; L164-Y197 HydrophobicContact CD1-CD1 3.27Å; L164-Y197 HydrophobicContact CD1-CD2 4.23Å; L164-Y197 HydrophobicContact CD1-CE1 3.77Å; L164-Y197 HydrophobicContact CD1-CG 3.52Å; L164-Y197 HydrophobicContact CD2-CD2 4.06Å; L164-Y197 HydrophobicContact CD2-CE2 4.44Å; L164-Y197 HydrophobicContact CD2-CG 4.12Å; L164-Y197 HydrophobicContact CG-CD1 3.89Å; L164-Y197 HydrophobicContact CG-CD2 4.18Å; L164-Y197 HydrophobicContact CG-CE1 3.99Å; L164-Y197 HydrophobicContact CG-CE2 4.31Å; L164-Y197 HydrophobicContact CG-CG 3.98Å |
| 165 | K | 96.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 60.3 Ų | 60.3 | 10% | 0.1 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.3 | -67.3 | -177.4 | -177 | -167.2 | 0 | 111.4 | Y35 M128 D157 F161 A162 Y168 V169 | Y35-K165 HydrophobicContact CD1-CG 4.36Å; Y35-K165 HydrophobicContact CE1-CG 3.96Å; Y35-K165 HydrophobicContact CE2-CG 4.26Å; M128-K165 HydrophobicContact CE-CB 4.28Å; M128-K165 PolarHBondContact O-NZ 2.85Å; M128-K165 HydrophobicContact SD-CB 4.13Å; M128-K165 HydrophobicContact SD-CD 4.39Å; M128-K165 HydrophobicContact SD-CG 4.02Å; D157-K165 WeakPolarHBondContact OD1-CE 3.36Å; D157-K165 IonicContact OD1-NZ 2.65Å; D157-K165 PolarHBondContact OD1-NZ 3.2Å; D157-K165 IonicContact OD2-NZ 3.13Å; D157-K165 PolarHBondContact OD2-NZ 3.03Å; F161-K165 WeakPolarHBondContact O-CG 3.44Å; F161-K165 PolarHBondContact O-N 3.15Å; A162-K165 PolarHBondContact O-N 3.13Å; K165-Y168 PolarHBondContact O-N 3.42Å; K165-V169 WeakPolarHBondContact O-CG2 3.45Å; K165-V169 PolarHBondContact O-N 3.3Å |
| 166 | I | 96.8 | Very high | 93.3 | Very high | 109 Ų | 109 | 62.5 Ų | 62.5 | 56% | 0.559 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 176.2 | -67.4 | 165.8 | 0 | 0 | 0 | 110 | A162 P163 Y168 V169 V170 | A162-I166 WeakPolarHBondContact O-CG1 3.48Å; A162-I166 PolarHBondContact O-N 3.06Å; P163-I166 PolarHBondContact O-N 3.35Å; I166-Y168 VanDerWaalsContact C-N 3.34Å; I166-Y168 PolarHBondContact O-N 2.89Å; I166-V169 PolarHBondContact O-N 2.84Å; I166-V170 HydrophobicContact CG2-CG2 4.11Å; I166-V170 WeakPolarHBondContact O-CG2 3.12Å; I166-V170 PolarHBondContact O-N 3.43Å |
| 167 | F | 95.8 | Very high | 93.3 | Very high | 65 Ų | 65 | 65.8 Ų | 65.8 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 176.5 | 179.5 | -105.8 | 0 | 0 | 0 | 111.6 | P163 L164 V169 V170 I171 T183 F187 M188 | P163-F167 VanDerWaalsContact O-CB 3.31Å; P163-F167 WeakPolarHBondContact O-CB 3.37Å; P163-F167 PolarHBondContact O-N 3.17Å; L164-F167 PolarHBondContact O-N 2.83Å; F167-V169 PolarHBondContact O-N 3.31Å; F167-V170 PolarHBondContact O-N 3.42Å; F167-I171 HydrophobicContact CD1-CG1 4.27Å; F167-I171 HydrophobicContact CD2-CD1 4.41Å; F167-I171 HydrophobicContact CD2-CG1 3.91Å; F167-I171 HydrophobicContact CE1-CG1 3.94Å; F167-I171 HydrophobicContact CE2-CD1 3.77Å; F167-I171 HydrophobicContact CE2-CG1 3.55Å; F167-I171 HydrophobicContact CG-CG1 4.26Å; F167-I171 HydrophobicContact CZ-CD1 4Å; F167-I171 HydrophobicContact CZ-CG1 3.58Å; F167-I171 WeakPolarHBondContact O-CB 3.29Å; F167-I171 VanDerWaalsContact O-CG1 3.29Å; F167-I171 WeakPolarHBondContact O-CG1 3.33Å; F167-I171 PolarHBondContact O-N 2.93Å; F167-T183 HydrophobicContact CZ-CG2 4.1Å; F167-F187 HydrophobicContact CE1-CB 4.14Å; F167-M188 HydrophobicContact CD1-CG 4.38Å; F167-M188 HydrophobicContact CD1-SD 3.88Å; F167-M188 HydrophobicContact CE1-CG 4.32Å; F167-M188 HydrophobicContact CE1-SD 4.21Å |
| 168 | Y | 96.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 71.8 Ų | 71.8 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -55.8 | -49.1 | 175.6 | 176.8 | -92.3 | 0 | 0 | 0 | 112.2 | I16 K33 M128 L164 K165 I166 T172 L184 | I16-Y168 HydrophobicContact CG2-CD2 4.44Å; I16-Y168 HydrophobicContact CG2-CE2 3.86Å; K33-Y168 HydrophobicContact CD-CE1 4.03Å; K33-Y168 WeakPolarHBondContact CD-OH 3.17Å; K33-Y168 HydrophobicContact CG-CE1 4.4Å; M128-Y168 HydrophobicContact SD-CD1 4.41Å; L164-Y168 WeakPolarHBondContact O-CB 3.39Å; L164-Y168 PolarHBondContact O-N 3.22Å; K165-Y168 PolarHBondContact O-N 3.42Å; I166-Y168 VanDerWaalsContact C-N 3.34Å; I166-Y168 PolarHBondContact O-N 2.89Å; Y168-T172 HydrophobicContact CD2-CG2 4.39Å; Y168-T172 HydrophobicContact CE1-CG2 4.19Å; Y168-T172 HydrophobicContact CE2-CG2 4Å; Y168-T172 WeakPolarHBondContact O-CB 3.31Å; Y168-T172 WeakPolarHBondContact O-CG2 3.33Å; Y168-T172 PolarHBondContact O-N 3.07Å; Y168-T172 PolarHBondContact O-OG1 3.48Å; Y168-L184 HydrophobicContact CD2-CD1 3.77Å; Y168-L184 HydrophobicContact CD2-CD2 3.66Å; Y168-L184 HydrophobicContact CD2-CG 4.38Å; Y168-L184 HydrophobicContact CE2-CD1 3.56Å; Y168-L184 HydrophobicContact CE2-CD2 4.33Å |
| 169 | V | 96 | Very high | 93 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 38% | 0.376 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | M128 K165 I166 F167 T172 N173 | M128-V169 HydrophobicContact CE-CG2 3.8Å; K165-V169 WeakPolarHBondContact O-CG2 3.45Å; K165-V169 PolarHBondContact O-N 3.3Å; I166-V169 PolarHBondContact O-N 2.84Å; F167-V169 PolarHBondContact O-N 3.31Å; V169-T172 PolarHBondContact O-OG1 2.91Å; V169-N173 WeakPolarHBondContact O-CB 3.49Å; V169-N173 PolarHBondContact O-N 2.88Å; V169-N173 VanDerWaalsContact O-N 3.13Å; V169-N173 PolarHBondContact O-ND2 2.65Å |
| 170 | V | 96.2 | Very high | 93 | Very high | 73 Ų | 73 | 63.3 Ų | 63.3 | 44% | 0.442 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.2 | -48.3 | -179.8 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | I166 F167 T172 N173 L174 | I166-V170 HydrophobicContact CG2-CG2 4.11Å; I166-V170 WeakPolarHBondContact O-CG2 3.12Å; I166-V170 PolarHBondContact O-N 3.43Å; F167-V170 PolarHBondContact O-N 3.42Å; V170-T172 PolarHBondContact O-N 3.37Å; V170-N173 PolarHBondContact O-N 3.19Å; V170-L174 WeakPolarHBondContact O-CB 3.4Å; V170-L174 PolarHBondContact O-N 3.47Å |
| 171 | I | 94.4 | Very high | 93 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | -177.7 | -68.3 | -58.7 | 0 | 0 | 0 | 111.4 | F167 N173 F175 T183 L184 | F167-I171 HydrophobicContact CD1-CG1 4.27Å; F167-I171 HydrophobicContact CD2-CD1 4.41Å; F167-I171 HydrophobicContact CD2-CG1 3.91Å; F167-I171 HydrophobicContact CE1-CG1 3.94Å; F167-I171 HydrophobicContact CE2-CD1 3.77Å; F167-I171 HydrophobicContact CE2-CG1 3.55Å; F167-I171 HydrophobicContact CG-CG1 4.26Å; F167-I171 HydrophobicContact CZ-CD1 4Å; F167-I171 HydrophobicContact CZ-CG1 3.58Å; F167-I171 WeakPolarHBondContact O-CB 3.29Å; F167-I171 VanDerWaalsContact O-CG1 3.29Å; F167-I171 WeakPolarHBondContact O-CG1 3.33Å; F167-I171 PolarHBondContact O-N 2.93Å; I171-N173 VanDerWaalsContact C-N 3.34Å; I171-N173 PolarHBondContact O-N 3.33Å; I171-F175 HydrophobicContact CD1-CD2 3.75Å; I171-F175 HydrophobicContact CD1-CE2 3.54Å; I171-F175 HydrophobicContact CG2-CD2 4.33Å; I171-F175 WeakPolarHBondContact O-CB 3.32Å; I171-F175 PolarHBondContact O-N 3.29Å; I171-F175 VanDerWaalsContact O-N 3.17Å; I171-T183 HydrophobicContact CD1-CG2 4.3Å; I171-T183 HydrophobicContact CG1-CG2 4.45Å; I171-T183 HydrophobicContact CG2-CG2 4.2Å; I171-L184 HydrophobicContact CG2-CG 4.36Å |
| 172 | T | 93.4 | Very high | 92.9 | Very high | 47 Ų | 47 | 67.9 Ų | 67.9 | 29% | 0.288 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72.6 | -22.6 | -178.8 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | Y168 V169 V170 L184 | Y168-T172 HydrophobicContact CD2-CG2 4.39Å; Y168-T172 HydrophobicContact CE1-CG2 4.19Å; Y168-T172 HydrophobicContact CE2-CG2 4Å; Y168-T172 WeakPolarHBondContact O-CB 3.31Å; Y168-T172 WeakPolarHBondContact O-CG2 3.33Å; Y168-T172 PolarHBondContact O-N 3.07Å; Y168-T172 PolarHBondContact O-OG1 3.48Å; V169-T172 PolarHBondContact O-OG1 2.91Å; V170-T172 PolarHBondContact O-N 3.37Å; T172-L184 HydrophobicContact CG2-CD1 3.86Å |
| 173 | N | 93.5 | Very high | 92.7 | Very high | 130 Ų | 130 | 68.5 Ų | 68.5 | 70% | 0.695 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -94.9 | -26.3 | 177.1 | -74.8 | -84.9 | 0 | 0 | 0 | 113.4 | V169 V170 I171 | V169-N173 WeakPolarHBondContact O-CB 3.49Å; V169-N173 PolarHBondContact O-N 2.88Å; V169-N173 VanDerWaalsContact O-N 3.13Å; V169-N173 PolarHBondContact O-ND2 2.65Å; V170-N173 PolarHBondContact O-N 3.19Å; I171-N173 VanDerWaalsContact C-N 3.34Å; I171-N173 PolarHBondContact O-N 3.33Å |
| 174 | L | 93.6 | Very high | 92.6 | Very high | 125 Ų | 125 | 65.7 Ų | 65.7 | 65% | 0.654 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -92.2 | -32.9 | -175.3 | -174.1 | 60.1 | 0 | 0 | 0 | 113.3 | V170 | V170-L174 WeakPolarHBondContact O-CB 3.4Å; V170-L174 PolarHBondContact O-N 3.47Å |
| 175 | F | 91.4 | Very high | 92.3 | Very high | 104 Ų | 104 | 69.3 Ų | 69.3 | 46% | 0.456 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -108 | 158.2 | -173.5 | -66.3 | -78.4 | 0 | 0 | 0 | 112.1 | I171 T179 | I171-F175 HydrophobicContact CD1-CD2 3.75Å; I171-F175 HydrophobicContact CD1-CE2 3.54Å; I171-F175 HydrophobicContact CG2-CD2 4.33Å; I171-F175 WeakPolarHBondContact O-CB 3.32Å; I171-F175 PolarHBondContact O-N 3.29Å; I171-F175 VanDerWaalsContact O-N 3.17Å; F175-T179 WeakPolarHBondContact CB-OG1 3.41Å |
| 176 | Q | 90.9 | Very high | 91.9 | Very high | 152 Ų | 152 | 71 Ų | 71 | 71% | 0.71 | 41% | 0.407 | S | S | * | . | trans | -62.5 | 153.6 | 173.3 | -67.5 | 177.8 | -28.1 | 0 | 0 | 110.7 | D178 T179 S180 | Q176-D178 PolarHBondContact O-N 3.49Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.46Å; Q176-T179 PolarHBondContact N-OG1 3.21Å; Q176-T179 PolarHBondContact O-N 3.42Å; Q176-T179 VanDerWaalsContact O-N 3.1Å; Q176-T179 PolarHBondContact O-OG1 3.42Å; Q176-S180 WeakPolarHBondContact O-CB 3.49Å; Q176-S180 PolarHBondContact O-N 2.68Å | ||
| 177 | A | 88.5 | Confident | 91.5 | Very high | 74 Ų | 74 | 71 Ų | 71 | 61% | 0.612 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -50.3 | -51 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T179 S180 A181 | A177-T179 PolarHBondContact O-N 3.11Å; A177-S180 PolarHBondContact O-N 3.23Å; A177-S180 PolarHBondContact O-OG 2.92Å; A177-A181 WeakPolarHBondContact O-CB 3.3Å; A177-A181 PolarHBondContact O-N 3.21Å |
| 178 | D | 87.6 | Confident | 91.3 | Very high | 138 Ų | 138 | 68 Ų | 68 | 74% | 0.738 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63 | -43 | -178.9 | -60.6 | -25.2 | 0 | 0 | 0 | 112.4 | Q176 A181 A182 | Q176-D178 PolarHBondContact O-N 3.49Å; D178-A181 PolarHBondContact O-N 3.13Å; D178-A182 WeakPolarHBondContact O-CB 3.25Å; D178-A182 PolarHBondContact O-N 3.37Å |
| 179 | T | 88 | Confident | 91 | Very high | 59 Ų | 59 | 69.2 Ų | 69.2 | 36% | 0.362 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 176.5 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | F175 Q176 A177 T183 | F175-T179 WeakPolarHBondContact CB-OG1 3.41Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.46Å; Q176-T179 PolarHBondContact N-OG1 3.21Å; Q176-T179 PolarHBondContact O-N 3.42Å; Q176-T179 VanDerWaalsContact O-N 3.1Å; Q176-T179 PolarHBondContact O-OG1 3.42Å; A177-T179 PolarHBondContact O-N 3.11Å; T179-T183 WeakPolarHBondContact O-CB 3.39Å; T179-T183 PolarHBondContact O-N 3.19Å; T179-T183 PolarHBondContact O-OG1 3.28Å |
| 180 | S | 89.9 | Confident | 90.2 | Very high | 13 Ų | 13 | 66.3 Ų | 66.3 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.2 | -45 | 176.1 | 76.5 | 0 | 0 | 0 | 0 | 111 | Q176 A177 T183 L184 | Q176-S180 WeakPolarHBondContact O-CB 3.49Å; Q176-S180 PolarHBondContact O-N 2.68Å; A177-S180 PolarHBondContact O-N 3.23Å; A177-S180 PolarHBondContact O-OG 2.92Å; S180-T183 PolarHBondContact O-N 3.43Å; S180-L184 WeakPolarHBondContact O-CB 2.75Å; S180-L184 WeakPolarHBondContact O-CG 3.47Å; S180-L184 PolarHBondContact O-N 3.17Å |
| 181 | A | 89.2 | Confident | 89.1 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 44% | 0.438 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A177 D178 T183 L184 E185 | A177-A181 WeakPolarHBondContact O-CB 3.3Å; A177-A181 PolarHBondContact O-N 3.21Å; D178-A181 PolarHBondContact O-N 3.13Å; A181-T183 VanDerWaalsContact C-N 3.31Å; A181-T183 PolarHBondContact O-N 3.32Å; A181-L184 PolarHBondContact O-N 3.46Å; A181-E185 WeakPolarHBondContact O-CB 3.17Å; A181-E185 WeakPolarHBondContact O-CG 3.48Å; A181-E185 PolarHBondContact O-N 3.43Å |
| 182 | A | 89.5 | Confident | 88 | Confident | 65 Ų | 65 | 79.2 Ų | 79.2 | 54% | 0.537 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D178 A186 | D178-A182 WeakPolarHBondContact O-CB 3.25Å; D178-A182 PolarHBondContact O-N 3.37Å; A182-A186 WeakPolarHBondContact O-CB 3.42Å; A182-A186 PolarHBondContact O-N 2.9Å; A182-A186 VanDerWaalsContact O-N 3.09Å |
| 183 | T | 91.1 | Very high | 87.5 | Confident | 39 Ų | 39 | 77.6 Ų | 77.6 | 24% | 0.239 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | F167 I171 T179 S180 A181 A186 F187 | F167-T183 HydrophobicContact CZ-CG2 4.1Å; I171-T183 HydrophobicContact CD1-CG2 4.3Å; I171-T183 HydrophobicContact CG1-CG2 4.45Å; I171-T183 HydrophobicContact CG2-CG2 4.2Å; T179-T183 WeakPolarHBondContact O-CB 3.39Å; T179-T183 PolarHBondContact O-N 3.19Å; T179-T183 PolarHBondContact O-OG1 3.28Å; S180-T183 PolarHBondContact O-N 3.43Å; A181-T183 VanDerWaalsContact C-N 3.31Å; A181-T183 PolarHBondContact O-N 3.32Å; T183-A186 PolarHBondContact O-N 3.45Å; T183-F187 HydrophobicContact CG2-CD2 3.97Å; T183-F187 HydrophobicContact CG2-CE2 4.37Å; T183-F187 WeakPolarHBondContact O-CD2 3.2Å; T183-F187 PolarHBondContact O-N 2.73Å |
| 184 | L | 92.5 | Very high | 87 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.1 | -41 | 178.8 | -69.7 | 172.5 | 0 | 0 | 0 | 111.8 | I16 Y168 I171 T172 S180 A181 A186 F187 M188 H189 | I16-L184 HydrophobicContact CG2-CB 4.3Å; I16-L184 HydrophobicContact CG2-CD1 4.1Å; Y168-L184 HydrophobicContact CD2-CD1 3.77Å; Y168-L184 HydrophobicContact CD2-CD2 3.66Å; Y168-L184 HydrophobicContact CD2-CG 4.38Å; Y168-L184 HydrophobicContact CE2-CD1 3.56Å; Y168-L184 HydrophobicContact CE2-CD2 4.33Å; I171-L184 HydrophobicContact CG2-CG 4.36Å; T172-L184 HydrophobicContact CG2-CD1 3.86Å; S180-L184 WeakPolarHBondContact O-CB 2.75Å; S180-L184 WeakPolarHBondContact O-CG 3.47Å; S180-L184 PolarHBondContact O-N 3.17Å; A181-L184 PolarHBondContact O-N 3.46Å; L184-A186 VanDerWaalsContact C-N 3.27Å; L184-A186 PolarHBondContact O-N 3.35Å; L184-F187 PolarHBondContact O-N 3.37Å; L184-M188 HydrophobicContact CD2-CB 4.44Å; L184-M188 HydrophobicContact CD2-CG 3.64Å; L184-M188 VanDerWaalsContact O-CA 3.29Å; L184-M188 WeakPolarHBondContact O-CA 3.29Å; L184-M188 WeakPolarHBondContact O-CB 3.24Å; L184-M188 PolarHBondContact O-N 3.26Å; L184-H189 PolarHBondContact O-N 3.32Å |
| 185 | E | 87.9 | Confident | 86.6 | Confident | 86 Ų | 86 | 66.3 Ų | 66.3 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 173.5 | -76.1 | -57.6 | 135 | 0 | 0 | 111.9 | A181 H189 | A181-E185 WeakPolarHBondContact O-CB 3.17Å; A181-E185 WeakPolarHBondContact O-CG 3.48Å; A181-E185 PolarHBondContact O-N 3.43Å; E185-H189 VanDerWaalsContact O-CB 3.24Å; E185-H189 WeakPolarHBondContact O-CB 3.5Å; E185-H189 IonicContact OE2-CD2 3.98Å; E185-H189 PolarHBondContact OE2-CD2 3.02Å; E185-H189 VanDerWaalsContact OE2-CD2 3.23Å; E185-H189 IonicContact OE2-CG 2.74Å |
| 186 | A | 87.7 | Confident | 86.3 | Confident | 59 Ų | 59 | 67.5 Ų | 67.5 | 49% | 0.488 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.9 | -39 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A182 T183 L184 | A182-A186 WeakPolarHBondContact O-CB 3.42Å; A182-A186 PolarHBondContact O-N 2.9Å; A182-A186 VanDerWaalsContact O-N 3.09Å; T183-A186 PolarHBondContact O-N 3.45Å; L184-A186 VanDerWaalsContact C-N 3.27Å; L184-A186 PolarHBondContact O-N 3.35Å |
| 187 | F | 89.5 | Confident | 85.9 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -107.5 | -23.7 | -169.5 | -74.8 | -83.8 | 0 | 0 | 0 | 115.1 | F167 T183 L184 W196 | F167-F187 HydrophobicContact CE1-CB 4.14Å; T183-F187 HydrophobicContact CG2-CD2 3.97Å; T183-F187 HydrophobicContact CG2-CE2 4.37Å; T183-F187 WeakPolarHBondContact O-CD2 3.2Å; T183-F187 PolarHBondContact O-N 2.73Å; L184-F187 PolarHBondContact O-N 3.37Å; F187-W196 PolarHBondContact O-NE1 3.25Å |
| 188 | M | 91.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -116.6 | -5.3 | -170.3 | -53 | -63.5 | -76.7 | 0 | 0 | 112.8 | I16 Y35 A36 W37 L164 F167 L184 | I16-M188 HydrophobicContact CD1-CB 3.88Å; Y35-M188 HydrophobicContact CD2-CE 3.61Å; Y35-M188 HydrophobicContact CE2-CE 4Å; A36-M188 WeakPolarHBondContact CA-O 3.45Å; A36-M188 HydrophobicContact CB-CB 4.05Å; A36-M188 HydrophobicContact CB-CE 3.74Å; W37-M188 PolarHBondContact N-O 2.8Å; L164-M188 HydrophobicContact CB-CE 3.76Å; L164-M188 HydrophobicContact CD1-CE 4.42Å; L164-M188 HydrophobicContact CD2-CE 3.9Å; L164-M188 HydrophobicContact CD2-SD 3.71Å; L164-M188 HydrophobicContact CG-CE 4.23Å; F167-M188 HydrophobicContact CD1-CG 4.38Å; F167-M188 HydrophobicContact CD1-SD 3.88Å; F167-M188 HydrophobicContact CE1-CG 4.32Å; F167-M188 HydrophobicContact CE1-SD 4.21Å; L184-M188 HydrophobicContact CD2-CB 4.44Å; L184-M188 HydrophobicContact CD2-CG 3.64Å; L184-M188 VanDerWaalsContact O-CA 3.29Å; L184-M188 WeakPolarHBondContact O-CA 3.29Å; L184-M188 WeakPolarHBondContact O-CB 3.24Å; L184-M188 PolarHBondContact O-N 3.26Å |
| 189 | H | 88 | Confident | 85.2 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 20% | 0.199 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -96.1 | 123.6 | 173.6 | -166 | -73.3 | 0 | 0 | 0 | 111 | I16 W37 L184 E185 K191 | I16-H189 HydrophobicContact CD1-CB 4.33Å; W37-H189 AromaticContact CD1-CD2 3.73Å; L184-H189 PolarHBondContact O-N 3.32Å; E185-H189 VanDerWaalsContact O-CB 3.24Å; E185-H189 WeakPolarHBondContact O-CB 3.5Å; E185-H189 IonicContact OE2-CD2 3.98Å; E185-H189 PolarHBondContact OE2-CD2 3.02Å; E185-H189 VanDerWaalsContact OE2-CD2 3.23Å; E185-H189 IonicContact OE2-CG 2.74Å; H189-K191 PolarHBondContact O-N 2.77Å |
| 190 | A | 80.3 | Confident | 84.8 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | trans | -66.4 | 118.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | W37 E192 G193 L195 | W37-A190 HydrophobicContact CB-CB 4.5Å; W37-A190 WeakPolarHBondContact O-CB 3.24Å; W37-A190 PolarHBondContact O-N 3.28Å; A190-E192 PolarHBondContact O-N 2.85Å; A190-G193 WeakPolarHBondContact CB-O 3.29Å; A190-L195 HydrophobicContact CB-CB 4.39Å | ||
| 191 | K | 72 | Confident | 83.9 | Confident | 173 Ų | 173 | 60 Ų | 60 | 75% | 0.752 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -83.5 | 97.9 | 172.4 | -66.3 | -178.2 | -179.1 | 179.3 | 0 | 108.3 | H189 | H189-K191 PolarHBondContact O-N 2.77Š|
| 192 | E | 73.2 | Confident | 83 | Confident | 184 Ų | 184 | 61 Ų | 61 | 86% | 0.86 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 40.5 | 94.9 | -177.8 | -72.3 | -171 | 171.8 | 0 | 0 | 114.5 | A190 | A190-E192 PolarHBondContact O-N 2.85Š|
| 193 | G | 81.7 | Confident | 82 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 117.9 | -137.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | R39 K40 A190 | R39-G193 WeakPolarHBondContact CA-O 3.42Å; R39-G193 WeakPolarHBondContact CG-O 3.42Å; K40-G193 PolarHBondContact N-O 2.97Å; K40-G193 PolarHBondContact O-N 2.99Å; A190-G193 WeakPolarHBondContact CB-O 3.29Å |
| 194 | A | 83.6 | Confident | 80.8 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 153.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L38 V198 | L38-A194 CarbonylContact O-C 3.49Å; L38-A194 VanDerWaalsContact O-CA 3.29Å; L38-A194 WeakPolarHBondContact O-CA 3.28Å; A194-V198 HydrophobicContact CB-CB 4.4Å; A194-V198 HydrophobicContact CB-CG1 4.33Å |
| 195 | L | 85.4 | Confident | 79.1 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | trans | -63.3 | 140.7 | 170.6 | -173.4 | 66.2 | 0 | 0 | 0 | 109.6 | A36 W37 L38 L164 A190 Y197 V198 D199 | A36-L195 HydrophobicContact CB-CD2 4.41Å; W37-L195 WeakPolarHBondContact O-CB 3.46Å; L38-L195 HydrophobicContact CD2-CD2 4.05Å; L38-L195 PolarHBondContact O-N 3.3Å; L164-L195 HydrophobicContact CD1-CD2 4.13Å; A190-L195 HydrophobicContact CB-CB 4.39Å; L195-Y197 PolarHBondContact O-N 3.02Å; L195-V198 HydrophobicContact CB-CG2 4.17Å; L195-V198 WeakPolarHBondContact O-CA 3.4Å; L195-V198 WeakPolarHBondContact O-CB 3.38Å; L195-V198 PolarHBondContact O-N 2.78Å; L195-D199 PolarHBondContact O-N 2.92Å | ||
| 196 | W | 83.6 | Confident | 77.4 | Confident | 130 Ų | 130 | 71.7 Ų | 71.7 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -50.6 | -35.5 | 178.7 | 71.3 | -91.6 | 0 | 0 | 0 | 112.7 | F187 V198 D199 F200 | F187-W196 PolarHBondContact O-NE1 3.25Å; W196-V198 VanDerWaalsContact C-N 3.35Å; W196-D199 PolarHBondContact O-N 2.74Å; W196-F200 WeakPolarHBondContact O-CB 3.48Å; W196-F200 PolarHBondContact O-N 3.27Å |
| 197 | Y | 82.9 | Confident | 75.5 | Confident | 24 Ų | 24 | 73.7 Ų | 73.7 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 178.7 | -167.3 | -103.9 | 0 | 0 | 0 | 111.1 | V160 F161 L164 L195 D199 W201 | V160-Y197 WeakPolarHBondContact O-CE1 3.31Å; V160-Y197 PolarHBondContact O-OH 3.21Å; F161-Y197 HydrophobicContact CD1-CD1 4.46Å; F161-Y197 HydrophobicContact CD1-CE1 4.48Å; F161-Y197 HydrophobicContact CE1-CD1 4.12Å; L164-Y197 HydrophobicContact CD1-CD1 3.27Å; L164-Y197 HydrophobicContact CD1-CD2 4.23Å; L164-Y197 HydrophobicContact CD1-CE1 3.77Å; L164-Y197 HydrophobicContact CD1-CG 3.52Å; L164-Y197 HydrophobicContact CD2-CD2 4.06Å; L164-Y197 HydrophobicContact CD2-CE2 4.44Å; L164-Y197 HydrophobicContact CD2-CG 4.12Å; L164-Y197 HydrophobicContact CG-CD1 3.89Å; L164-Y197 HydrophobicContact CG-CD2 4.18Å; L164-Y197 HydrophobicContact CG-CE1 3.99Å; L164-Y197 HydrophobicContact CG-CE2 4.31Å; L164-Y197 HydrophobicContact CG-CG 3.98Å; L195-Y197 PolarHBondContact O-N 3.02Å; Y197-D199 VanDerWaalsContact C-N 3.33Å; Y197-W201 AromaticContact CD1-CD1 3.69Å; Y197-W201 AromaticContact CD1-NE1 3.56Å; Y197-W201 AromaticContact CE1-CD1 3.63Å; Y197-W201 AromaticContact CE1-NE1 3Å; Y197-W201 AromaticContact CE2-NE1 3.97Å; Y197-W201 AromaticContact CZ-NE1 3.23Å; Y197-W201 WeakPolarHBondContact O-CB 3.34Å; Y197-W201 PolarHBondContact O-N 3.06Å; Y197-W201 PolarHBondContact OH-NE1 3.2Å |
| 198 | V | 81.4 | Confident | 73.3 | Confident | 28 Ų | 28 | 75.4 Ų | 75.4 | 17% | 0.17 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 174.4 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | L38 F161 A194 L195 W196 W201 K202 | L38-V198 HydrophobicContact CB-CG2 4.21Å; L38-V198 HydrophobicContact CD2-CG2 4.12Å; F161-V198 HydrophobicContact CZ-CG2 4.17Å; A194-V198 HydrophobicContact CB-CB 4.4Å; A194-V198 HydrophobicContact CB-CG1 4.33Å; L195-V198 HydrophobicContact CB-CG2 4.17Å; L195-V198 WeakPolarHBondContact O-CA 3.4Å; L195-V198 WeakPolarHBondContact O-CB 3.38Å; L195-V198 PolarHBondContact O-N 2.78Å; W196-V198 VanDerWaalsContact C-N 3.35Å; V198-W201 WeakPolarHBondContact O-CB 3.45Å; V198-W201 PolarHBondContact O-N 2.82Å; V198-K202 WeakPolarHBondContact O-CG 3.42Å; V198-K202 PolarHBondContact O-N 2.68Å |
| 199 | D | 79.7 | Confident | 70.5 | Confident | 63 Ų | 63 | 83.1 Ų | 83.1 | 34% | 0.337 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 178.2 | -74.2 | -31.2 | 0 | 0 | 0 | 113.6 | L195 W196 Y197 W201 K202 | L195-D199 PolarHBondContact O-N 2.92Å; W196-D199 PolarHBondContact O-N 2.74Å; Y197-D199 VanDerWaalsContact C-N 3.33Å; D199-W201 PolarHBondContact O-N 3.03Å; D199-K202 WeakPolarHBondContact O-CA 3.5Å; D199-K202 VanDerWaalsContact O-CB 3.3Å; D199-K202 WeakPolarHBondContact O-CB 3.46Å; D199-K202 PolarHBondContact O-N 3.43Å; D199-K202 WeakPolarHBondContact OD1-CD 3.45Å; D199-K202 VanDerWaalsContact OD1-CE 3.25Å; D199-K202 WeakPolarHBondContact OD1-CE 3.21Å; D199-K202 IonicContact OD1-NZ 2.8Å; D199-K202 PolarHBondContact OD1-NZ 2.99Å |
| 200 | F | 80.2 | Confident | 69.7 | Low | 97 Ų | 97 | 85.2 Ų | 85.2 | 43% | 0.425 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -52.5 | -45.2 | 173.8 | 168.5 | -102.8 | 0 | 0 | 0 | 110.8 | W196 K202 I203 F204 | W196-F200 WeakPolarHBondContact O-CB 3.48Å; W196-F200 PolarHBondContact O-N 3.27Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 3.1Å; F200-I203 WeakPolarHBondContact O-CB 3.47Å; F200-I203 PolarHBondContact O-N 3.41Å; F200-F204 HydrophobicContact CD1-CE2 4.22Å; F200-F204 AromaticContact CE1-CE2 3.65Å; F200-F204 HydrophobicContact CE1-CE2 3.65Å; F200-F204 HydrophobicContact CE1-CZ 4.36Å; F200-F204 HydrophobicContact CE2-CE2 4.18Å; F200-F204 AromaticContact CZ-CE2 3.63Å; F200-F204 HydrophobicContact CZ-CE2 3.63Å; F200-F204 AromaticContact CZ-CZ 3.97Å; F200-F204 HydrophobicContact CZ-CZ 3.97Å |
| 201 | W | 72 | Confident | 69.1 | Low | 67 Ų | 67 | 89.5 Ų | 89.5 | 25% | 0.254 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -29.4 | 176.6 | -89 | 130.1 | 0 | 0 | 0 | 113.9 | W146 V160 Y197 V198 D199 I203 F204 | W146-W201 HydrophobicContact CH2-CB 3.3Å; W146-W201 AromaticContact CH2-CD2 3.58Å; W146-W201 HydrophobicContact CH2-CD2 3.58Å; W146-W201 AromaticContact CH2-CE3 3.33Å; W146-W201 HydrophobicContact CH2-CE3 3.33Å; W146-W201 AromaticContact CH2-CG 3.59Å; W146-W201 HydrophobicContact CH2-CG 3.59Å; W146-W201 HydrophobicContact CH2-CZ3 4.34Å; W146-W201 WeakPolarHBondContact CH2-O 3.22Å; W146-W201 HydrophobicContact CZ2-CB 3.23Å; W146-W201 AromaticContact CZ2-CD2 3.7Å; W146-W201 HydrophobicContact CZ2-CD2 3.7Å; W146-W201 AromaticContact CZ2-CE3 3.9Å; W146-W201 HydrophobicContact CZ2-CE3 3.9Å; W146-W201 AromaticContact CZ2-CG 3.42Å; W146-W201 HydrophobicContact CZ2-CG 3.42Å; W146-W201 VanDerWaalsContact CZ2-CG 3.42Å; W146-W201 HydrophobicContact CZ3-CE3 4.22Å; V160-W201 HydrophobicContact CG1-CD2 4.42Å; V160-W201 HydrophobicContact CG1-CZ2 4Å; Y197-W201 AromaticContact CD1-CD1 3.69Å; Y197-W201 AromaticContact CD1-NE1 3.56Å; Y197-W201 AromaticContact CE1-CD1 3.63Å; Y197-W201 AromaticContact CE1-NE1 3Å; Y197-W201 AromaticContact CE2-NE1 3.97Å; Y197-W201 AromaticContact CZ-NE1 3.23Å; Y197-W201 WeakPolarHBondContact O-CB 3.34Å; Y197-W201 PolarHBondContact O-N 3.06Å; Y197-W201 PolarHBondContact OH-NE1 3.2Å; V198-W201 WeakPolarHBondContact O-CB 3.45Å; V198-W201 PolarHBondContact O-N 2.82Å; D199-W201 PolarHBondContact O-N 3.03Å; W201-I203 PolarHBondContact O-N 2.88Å; W201-F204 AromaticContact CE3-CD2 3.8Å; W201-F204 HydrophobicContact CE3-CD2 3.8Å; W201-F204 HydrophobicContact CE3-CE2 4.27Å; W201-F204 HydrophobicContact CZ3-CD2 4.35Å; W201-F204 PolarHBondContact O-N 3.26Å; W201-F204 VanDerWaalsContact O-N 3.11Å |
| 202 | K | 70.1 | Confident | 68.9 | Low | 72 Ų | 72 | 84.9 Ų | 84.9 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -24.3 | 176.3 | -68.8 | 173.7 | -172.7 | 165.7 | 0 | 112.9 | V198 D199 F200 F204 R205 | V198-K202 WeakPolarHBondContact O-CG 3.42Å; V198-K202 PolarHBondContact O-N 2.68Å; D199-K202 WeakPolarHBondContact O-CA 3.5Å; D199-K202 VanDerWaalsContact O-CB 3.3Å; D199-K202 WeakPolarHBondContact O-CB 3.46Å; D199-K202 PolarHBondContact O-N 3.43Å; D199-K202 WeakPolarHBondContact OD1-CD 3.45Å; D199-K202 VanDerWaalsContact OD1-CE 3.25Å; D199-K202 WeakPolarHBondContact OD1-CE 3.21Å; D199-K202 IonicContact OD1-NZ 2.8Å; D199-K202 PolarHBondContact OD1-NZ 2.99Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 3.1Å; K202-F204 PolarHBondContact O-N 3.36Å; K202-R205 WeakPolarHBondContact O-CB 3.4Å; K202-R205 WeakPolarHBondContact O-CD 3.45Å; K202-R205 WeakPolarHBondContact O-CG 3.32Å; K202-R205 PolarHBondContact O-N 2.87Å; K202-R205 VanDerWaalsContact O-N 3.13Å |
| 203 | I | 67.6 | Low | 68.7 | Low | 135 Ų | 135 | 79.1 Ų | 79.1 | 69% | 0.692 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.2 | 178 | -57.5 | 171.7 | 0 | 0 | 0 | 111.2 | F200 W201 R205 | F200-I203 WeakPolarHBondContact O-CB 3.47Å; F200-I203 PolarHBondContact O-N 3.41Å; W201-I203 PolarHBondContact O-N 2.88Å; I203-R205 PolarHBondContact O-N 3.3Å |
| 204 | F | 65.7 | Low | 67.9 | Low | 103 Ų | 103 | 83.2 Ų | 83.2 | 45% | 0.452 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.9 | 176.4 | -59.9 | -79.5 | 0 | 0 | 0 | 113.3 | W146 F200 W201 K202 S206 | W146-F204 HydrophobicContact CZ3-CB 4.2Å; F200-F204 HydrophobicContact CD1-CE2 4.22Å; F200-F204 AromaticContact CE1-CE2 3.65Å; F200-F204 HydrophobicContact CE1-CE2 3.65Å; F200-F204 HydrophobicContact CE1-CZ 4.36Å; F200-F204 HydrophobicContact CE2-CE2 4.18Å; F200-F204 AromaticContact CZ-CE2 3.63Å; F200-F204 HydrophobicContact CZ-CE2 3.63Å; F200-F204 AromaticContact CZ-CZ 3.97Å; F200-F204 HydrophobicContact CZ-CZ 3.97Å; W201-F204 AromaticContact CE3-CD2 3.8Å; W201-F204 HydrophobicContact CE3-CD2 3.8Å; W201-F204 HydrophobicContact CE3-CE2 4.27Å; W201-F204 HydrophobicContact CZ3-CD2 4.35Å; W201-F204 PolarHBondContact O-N 3.26Å; W201-F204 VanDerWaalsContact O-N 3.11Å; K202-F204 PolarHBondContact O-N 3.36Å; F204-S206 PolarHBondContact O-N 2.87Å; F204-S206 VanDerWaalsContact O-N 3.13Å |
| 205 | R | 58.1 | Low | 66.8 | Low | 114 Ų | 114 | 87.6 Ų | 87.6 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -67.6 | 113.6 | 168.8 | -61.5 | 172.4 | 102.4 | -164.4 | -6.8 | 106.1 | Y145 K202 I203 A207 | Y145-R205 PolarHBondContact O-NE 2.92Å; K202-R205 WeakPolarHBondContact O-CB 3.4Å; K202-R205 WeakPolarHBondContact O-CD 3.45Å; K202-R205 WeakPolarHBondContact O-CG 3.32Å; K202-R205 PolarHBondContact O-N 2.87Å; K202-R205 VanDerWaalsContact O-N 3.13Å; I203-R205 PolarHBondContact O-N 3.3Å; R205-A207 PolarHBondContact O-N 3.24Å; R205-A207 VanDerWaalsContact O-N 3.09Å |
| 206 | S | 51.6 | Low | 65.5 | Low | 72 Ų | 72 | 93.8 Ų | 93.8 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | trans | -51.1 | 123.3 | 156.6 | 54.6 | 0 | 0 | 0 | 0 | 106 | F204 I208 | F204-S206 PolarHBondContact O-N 2.87Å; F204-S206 VanDerWaalsContact O-N 3.13Å; S206-I208 VanDerWaalsContact C-N 3.26Å; S206-I208 PolarHBondContact O-N 3.04Å | ||
| 207 | A | 47.7 | Very low | 64.1 | Low | 100 Ų | 100 | 91 Ų | 91 | 83% | 0.826 | 51% | 0.507 | S | S | * | . | trans | -57.4 | 99.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | R205 A209 | R205-A207 PolarHBondContact O-N 3.24Å; R205-A207 VanDerWaalsContact O-N 3.09Å; A207-A209 VanDerWaalsContact C-N 3.33Å; A207-A209 PolarHBondContact O-N 3.09Å | ||
| 208 | I | 43.7 | Very low | 62.5 | Low | 145 Ų | 145 | 96.6 Ų | 96.6 | 74% | 0.744 | 54% | 0.541 | S | S | * | . | trans | -75.8 | 103.3 | 162.4 | -59.8 | 174.8 | 0 | 0 | 0 | 102.8 | S206 | S206-I208 VanDerWaalsContact C-N 3.26Å; S206-I208 PolarHBondContact O-N 3.04Å | ||
| 209 | A | 32.7 | Very low | 60.8 | Low | 163 Ų | 163 | 102.8 Ų | 102.8 | 100% | 1.347 | 58% | 0.575 | S | S | * | * | trans | -60.1 | 0 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A207 | A207-A209 VanDerWaalsContact C-N 3.33Å; A207-A209 PolarHBondContact O-N 3.09Å |
Retrieved 209 of 209 residues in 158.7 ms
(Link to these results)