| 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 | 59.7 | Low | 85.2 | Confident | 248 Ų | 248 | 125.7 Ų | 125.7 | 100% | 1.222 | 62% | 0.618 | S | S | * | * | 0 | 149.8 | 0 | -67.1 | 176.5 | 174.8 | 0 | 0 | 108.1 | |||||
| 2 | S | 75.8 | Confident | 86 | Confident | 122 Ų | 122 | 121.3 Ų | 121.3 | 85% | 0.853 | 60% | 0.603 | S | S | * | * | trans | -89 | 151.2 | 166.2 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | R | 82.5 | Confident | 86.6 | Confident | 140 Ų | 140 | 118.5 Ų | 118.5 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | trans | -132.7 | 139.6 | 172.3 | 175.6 | 178.3 | -86.2 | 166.9 | -10 | 108.3 | V52 A53 | R3-V52 PolarHBondContact NH1-O 2.68Å; R3-A53 VanDerWaalsContact NH1-C 3.28Å; R3-A53 PolarHBondContact NH1-O 2.93Å | ||
| 4 | E | 87.8 | Confident | 87 | Confident | 130 Ų | 130 | 111.6 Ų | 111.6 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | trans | -107.2 | 137.7 | 179.5 | -65.1 | -178.2 | -163.7 | 0 | 0 | 111.1 | R6 | E4-R6 HydrophobicContact CB-CG 4.45Å; E4-R6 IonicContact OE1-NH2 3.81Å; E4-R6 IonicContact OE2-CZ 3.13Å; E4-R6 IonicContact OE2-NE 2.75Å; E4-R6 PolarHBondContact OE2-NE 2.75Å; E4-R6 IonicContact OE2-NH2 2.68Å; E4-R6 PolarHBondContact OE2-NH2 2.88Å | ||
| 5 | F | 87.8 | Confident | 87.5 | Confident | 64 Ų | 64 | 111.8 Ų | 111.8 | 28% | 0.281 | 56% | 0.561 | S | S | . | * | trans | -103.3 | 106.4 | 173.8 | -60.2 | -90.8 | 0 | 0 | 0 | 108.7 | L38 W50 V52 | F5-L38 HydrophobicContact CD2-CD2 3.92Å; F5-L38 HydrophobicContact CE2-CD2 3.86Å; F5-L38 HydrophobicContact CG-CD2 4.35Å; F5-L38 HydrophobicContact CZ-CD2 4.23Å; F5-W50 HydrophobicContact CB-CD2 4Å; F5-W50 HydrophobicContact CB-CE3 4.07Å; F5-W50 HydrophobicContact CB-CG 4.48Å; F5-W50 HydrophobicContact CB-CZ2 4.42Å; F5-W50 HydrophobicContact CB-CZ3 4.31Å; F5-W50 HydrophobicContact CD1-CB 3.69Å; F5-W50 AromaticContact CD1-CD2 3.83Å; F5-W50 HydrophobicContact CD1-CD2 3.83Å; F5-W50 AromaticContact CD1-CE3 3.76Å; F5-W50 HydrophobicContact CD1-CE3 3.76Å; F5-W50 AromaticContact CD1-CG 3.82Å; F5-W50 HydrophobicContact CD1-CG 3.82Å; F5-W50 HydrophobicContact CE1-CB 3.82Å; F5-W50 HydrophobicContact CE1-CG 4.44Å; F5-W50 HydrophobicContact CG-CD2 4.3Å; F5-W50 HydrophobicContact CG-CE3 4.4Å; F5-W50 HydrophobicContact CG-CG 4.39Å; F5-V52 HydrophobicContact CZ-CB 4.4Å; F5-V52 HydrophobicContact CZ-CG1 4.31Å; F5-V52 HydrophobicContact CZ-CG2 4.12Å | ||
| 6 | R | 88.6 | Confident | 87.8 | Confident | 194 Ų | 194 | 106.1 Ų | 106.1 | 73% | 0.732 | 54% | 0.537 | S | S | * | . | trans | -112.6 | 132.9 | -176.8 | -63.3 | -174.8 | 178.6 | -162.1 | 1.5 | 110.4 | E4 W50 | E4-R6 HydrophobicContact CB-CG 4.45Å; E4-R6 IonicContact OE1-NH2 3.81Å; E4-R6 IonicContact OE2-CZ 3.13Å; E4-R6 IonicContact OE2-NE 2.75Å; E4-R6 PolarHBondContact OE2-NE 2.75Å; E4-R6 IonicContact OE2-NH2 2.68Å; E4-R6 PolarHBondContact OE2-NH2 2.88Å; R6-W50 WeakPolarHBondContact O-CH2 3.35Å | ||
| 7 | G | 88 | Confident | 87.8 | Confident | 46 Ų | 46 | 106.9 Ų | 106.9 | 47% | 0.474 | 53% | 0.533 | S | S | . | . | trans | 151.3 | -6.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | K48 | G7-K48 VanDerWaalsContact O-CE 3.23Å; G7-K48 WeakPolarHBondContact O-CE 3.25Å | ||
| 8 | H | 91.1 | Very high | 87.7 | Confident | 35 Ų | 35 | 101.2 Ų | 101.2 | 16% | 0.162 | 51% | 0.505 | C | S | . | . | trans | -66.2 | 150.2 | 158.8 | -79.5 | -62.8 | 0 | 0 | 0 | 110.2 | V12 T40 S42 D44 | H8-V12 HydrophobicContact CB-CG2 4.16Å; H8-V12 VanDerWaalsContact CD2-CG2 3.43Å; H8-V12 WeakPolarHBondContact CD2-CG2 3.49Å; H8-T40 PolarHBondContact CE1-O 2.73Å; H8-T40 PolarHBondContact NE2-O 2.86Å; H8-T40 PolarHBondContact NE2-OG1 3.04Å; H8-S42 VanDerWaalsContact ND1-CB 3.27Å; H8-S42 WeakPolarHBondContact ND1-CB 3.24Å; H8-D44 IonicContact ND1-OD2 3.77Å | ||
| 9 | R | 89.3 | Confident | 87.1 | Confident | 220 Ų | 220 | 96.5 Ų | 96.5 | 83% | 0.83 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -90.5 | -32.7 | -177.5 | -66.1 | -177.2 | 173.6 | -164.6 | -4.8 | 112.3 | D44 | R9-D44 HydrophobicContact CB-CB 4.12Å; R9-D44 PolarHBondContact N-OD2 2.63Å |
| 10 | N | 93.4 | Very high | 86 | Confident | 94 Ų | 94 | 94.3 Ų | 94.3 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -122.8 | -169.9 | 178.4 | -61.1 | -22.1 | 0 | 0 | 0 | 110.8 | V12 T43 D44 | N10-V12 PolarHBondContact O-N 2.85Å; N10-T43 WeakPolarHBondContact CB-OG1 3.48Å; N10-D44 HydrophobicContact CB-CB 4.16Å; N10-D44 PolarHBondContact N-OD2 3.26Å |
| 11 | C | 93.1 | Very high | 84.7 | Confident | 90 Ų | 90 | 99.9 Ų | 99.9 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | trans | -61.2 | 130.3 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | S42 T43 | C11-S42 PolarHBondContact O-OG 2.86Å; C11-T43 PolarHBondContact N-OG1 3.45Å; C11-T43 PolarHBondContact O-N 2.96Å; C11-T43 PolarHBondContact O-OG1 2.93Å | ||
| 12 | V | 94.8 | Very high | 84.4 | Confident | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131 | 166.2 | -175 | 0 | 0 | 0 | 0 | 108.9 | H8 N10 T40 G41 | H8-V12 HydrophobicContact CB-CG2 4.16Å; H8-V12 VanDerWaalsContact CD2-CG2 3.43Å; H8-V12 WeakPolarHBondContact CD2-CG2 3.49Å; N10-V12 PolarHBondContact O-N 2.85Å; V12-T40 HydrophobicContact CG1-CG2 4.42Å; V12-G41 WeakPolarHBondContact CG1-O 3.37Å |
| 13 | L | 93.7 | Very high | 83.4 | Confident | 85 Ų | 85 | 85.4 Ų | 85.4 | 45% | 0.445 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -31.7 | -178.8 | -63.1 | -175.6 | 0 | 0 | 0 | 113.4 | G41 T43 A67 L69 | L13-G41 PolarHBondContact N-O 3.44Å; L13-T43 HydrophobicContact CD1-CG2 3.62Å; L13-T43 HydrophobicContact CD2-CG2 3.92Å; L13-T43 HydrophobicContact CG-CG2 3.79Å; L13-A67 HydrophobicContact CD1-CB 4.17Å; L13-L69 HydrophobicContact CD1-CD2 3.62Å |
| 14 | T | 92.8 | Very high | 81.8 | Confident | 23 Ų | 23 | 82 Ų | 82 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.9 | -171.7 | -174 | 0 | 0 | 0 | 0 | 110.1 | T40 G41 V68 L71 | T14-T40 CarbonylContact O-C 3.53Å; T14-T40 WeakPolarHBondContact O-CA 3.23Å; T14-G41 PolarHBondContact N-O 2.84Å; T14-G41 PolarHBondContact O-N 2.82Å; T14-V68 HydrophobicContact CG2-CG1 4.16Å; T14-L71 HydrophobicContact CG2-CB 3.76Å; T14-L71 PolarHBondContact OG1-N 2.81Å |
| 15 | L | 94.3 | Very high | 79.9 | Confident | 114 Ų | 114 | 82 Ų | 82 | 60% | 0.597 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 148.9 | 174.8 | 67.7 | 90.3 | 0 | 0 | 0 | 110 | L38 V39 T40 | L15-L38 HydrophobicContact CB-CD1 4.37Å; L15-L38 HydrophobicContact CD1-CD1 4.25Å; L15-V39 CarbonylContact C-O 3.44Å; L15-V39 VanDerWaalsContact CA-O 3.24Å; L15-V39 WeakPolarHBondContact CA-O 3.48Å; L15-T40 HydrophobicContact CB-CG2 3.96Å |
| 16 | A | 91.8 | Very high | 78 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 17% | 0.174 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 151.9 | 169 | 0 | 0 | 0 | 0 | 0 | 109.2 | V39 L71 L73 | A16-V39 PolarHBondContact N-O 3.47Å; A16-V39 PolarHBondContact O-N 3.29Å; A16-L71 HydrophobicContact CB-CD2 3.6Å; A16-L73 HydrophobicContact CB-CD1 3.92Å; A16-L73 HydrophobicContact CB-CD2 4.47Å; A16-L73 HydrophobicContact CB-CG 3.81Å |
| 17 | Y | 89 | Confident | 76.2 | Confident | 120 Ų | 120 | 78.6 Ų | 78.6 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.2 | -176 | 171.3 | -104.2 | 0 | 0 | 0 | 109.9 | A19 L37 L38 V52 | Y17-A19 HydrophobicContact CE1-CB 4.23Å; Y17-L37 WeakPolarHBondContact CA-O 3.31Å; Y17-L38 HydrophobicContact CD2-CB 4.45Å; Y17-V52 HydrophobicContact CD2-CG2 4.35Å; Y17-V52 HydrophobicContact CE2-CG2 4.05Å |
| 18 | S | 84.8 | Confident | 74.2 | Confident | 3 Ų | 3 | 82.7 Ų | 82.7 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.9 | 169.5 | -169.7 | 0 | 0 | 0 | 0 | 108.1 | D22 G36 L37 T75 | S18-D22 WeakPolarHBondContact OG-CB 3.2Å; S18-G36 VanDerWaalsContact O-CA 3.29Å; S18-G36 WeakPolarHBondContact O-CA 3.39Å; S18-L37 PolarHBondContact N-O 3.13Å; S18-L37 PolarHBondContact O-N 3.49Å; S18-T75 WeakPolarHBondContact OG-CG2 3.06Å |
| 19 | A | 76.4 | Confident | 72.3 | Confident | 13 Ų | 13 | 82.1 Ų | 82.1 | 11% | 0.107 | 45% | 0.45 | C | S | . | . | trans | -73.7 | 161.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y17 W21 D22 | Y17-A19 HydrophobicContact CE1-CB 4.23Å; A19-W21 HydrophobicContact CB-CD2 4.29Å; A19-W21 HydrophobicContact CB-CG 4.35Å; A19-W21 HydrophobicContact CB-CZ2 4.22Å; A19-W21 PolarHBondContact O-N 3Å; A19-D22 WeakPolarHBondContact CA-OD2 3.49Å; A19-D22 VanDerWaalsContact CB-OD2 3.28Å; A19-D22 WeakPolarHBondContact CB-OD2 3.49Å; A19-D22 PolarHBondContact N-OD2 3.3Å; A19-D22 WeakPolarHBondContact O-CB 3.43Å; A19-D22 PolarHBondContact O-N 3.47Å | ||
| 20 | P | 65.8 | Low | 70.4 | Confident | 52 Ų | 52 | 78.2 Ų | 78.2 | 34% | 0.338 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -58.9 | -33.3 | 179.6 | -23.3 | 32 | 0 | 0 | 0 | 113.7 | A33 | P20-A33 WeakPolarHBondContact CA-O 3.39Å; P20-A33 WeakPolarHBondContact CB-O 3.44Å |
| 21 | W | 58 | Low | 68.3 | Low | 211 Ų | 211 | 81.9 Ų | 81.9 | 80% | 0.799 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -84.8 | -5.7 | -176.1 | 56.2 | -100 | 0 | 0 | 0 | 114.3 | A19 L23 | A19-W21 HydrophobicContact CB-CD2 4.29Å; A19-W21 HydrophobicContact CB-CG 4.35Å; A19-W21 HydrophobicContact CB-CZ2 4.22Å; A19-W21 PolarHBondContact O-N 3Å; W21-L23 PolarHBondContact O-N 3.41Å |
| 22 | D | 54.8 | Low | 66.1 | Low | 41 Ų | 41 | 78.4 Ų | 78.4 | 22% | 0.219 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -76 | -11.9 | 174.3 | -79.8 | -70.5 | 0 | 0 | 0 | 113.2 | S18 A19 T75 | S18-D22 WeakPolarHBondContact OG-CB 3.2Å; A19-D22 WeakPolarHBondContact CA-OD2 3.49Å; A19-D22 VanDerWaalsContact CB-OD2 3.28Å; A19-D22 WeakPolarHBondContact CB-OD2 3.49Å; A19-D22 PolarHBondContact N-OD2 3.3Å; A19-D22 WeakPolarHBondContact O-CB 3.43Å; A19-D22 PolarHBondContact O-N 3.47Å; D22-T75 HydrophobicContact CB-CG2 4.28Å; D22-T75 PolarHBondContact OD1-OG1 3.02Å |
| 23 | L | 54.5 | Low | 64 | Low | 25 Ų | 25 | 75.7 Ų | 75.7 | 13% | 0.131 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -105.2 | 136.8 | -173.4 | -57.2 | 172.4 | 0 | 0 | 0 | 109.8 | W21 A33 L37 H78 | W21-L23 PolarHBondContact O-N 3.41Å; L23-A33 HydrophobicContact CB-CB 4.14Å; L23-A33 HydrophobicContact CD1-CB 3.65Å; L23-L37 HydrophobicContact CD1-CD1 4.08Å; L23-L37 HydrophobicContact CD1-CG 4.38Å; L23-H78 VanDerWaalsContact CD2-CE1 3.45Å; L23-H78 WeakPolarHBondContact CD2-CE1 3.37Å; L23-H78 WeakPolarHBondContact CD2-ND1 3.34Å |
| 24 | P | 48.7 | Very low | 62.1 | Low | 68 Ų | 68 | 75 Ų | 75 | 44% | 0.442 | 42% | 0.424 | S | S | . | . | trans | -68.2 | 137.2 | -179.2 | 30.3 | -34.1 | 0 | 0 | 0 | 110 | T26 H78 | P24-T26 PolarHBondContact O-N 3.12Å; P24-H78 WeakPolarHBondContact CD-CE1 3.42Å; P24-H78 WeakPolarHBondContact CD-NE2 3.45Å | ||
| 25 | S | 47.5 | Very low | 60.9 | Low | 130 Ų | 130 | 74.4 Ų | 74.4 | 91% | 0.909 | 42% | 0.423 | S | S | * | . | trans | -69.5 | 70.2 | 179.8 | 38.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 26 | T | 47.7 | Very low | 60.5 | Low | 72 Ų | 72 | 69 Ų | 69 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | trans | -92.8 | 129.6 | 166.5 | 59.8 | 0 | 0 | 0 | 0 | 109 | P24 C28 A29 | P24-T26 PolarHBondContact O-N 3.12Å; T26-C28 PolarHBondContact O-N 2.94Å; T26-A29 PolarHBondContact O-N 2.77Å; T26-A29 WeakPolarHBondContact OG1-CB 3.27Å | ||
| 27 | P | 50.4 | Low | 60.4 | Low | 115 Ų | 115 | 68 Ų | 68 | 75% | 0.747 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12.9 | -171.6 | 26.2 | -35.3 | 0 | 0 | 0 | 113.8 | ||
| 28 | C | 47.3 | Very low | 60.5 | Low | 132 Ų | 132 | 63.6 Ų | 63.6 | 89% | 0.892 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.2 | 176.5 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | T26 | T26-C28 PolarHBondContact O-N 2.94Š|
| 29 | A | 49.7 | Very low | 60.9 | Low | 24 Ų | 24 | 63.4 Ų | 63.4 | 20% | 0.198 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -4.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T26 E31 A32 A33 | T26-A29 PolarHBondContact O-N 2.77Å; T26-A29 WeakPolarHBondContact OG1-CB 3.27Å; A29-E31 PolarHBondContact O-N 3.44Å; A29-A32 PolarHBondContact O-N 3.33Å; A29-A32 VanDerWaalsContact O-N 3.14Å; A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.27Å |
| 30 | E | 50.5 | Low | 61.8 | Low | 137 Ų | 137 | 63.3 Ų | 63.3 | 64% | 0.64 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.2 | -36.9 | -162.6 | -158.7 | 174.2 | -176.1 | 0 | 0 | 113.6 | A32 A33 A34 | E30-A32 PolarHBondContact O-N 2.82Å; E30-A33 PolarHBondContact O-N 3.14Å; E30-A34 WeakPolarHBondContact O-CB 3.29Å; E30-A34 PolarHBondContact O-N 3.04Å |
| 31 | E | 48.4 | Very low | 63.2 | Low | 171 Ų | 171 | 60.8 Ų | 60.8 | 80% | 0.799 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.6 | -45.5 | 173.9 | -79 | -158.8 | 107.9 | 0 | 0 | 112.5 | A29 A33 Q51 | A29-E31 PolarHBondContact O-N 3.44Å; E31-A33 VanDerWaalsContact C-N 3.34Å; E31-Q51 PolarHBondContact O-NE2 2.8Å |
| 32 | A | 47 | Very low | 65 | Low | 17 Ų | 17 | 50.8 Ų | 50.8 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.9 | -36.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A29 E30 L37 | A29-A32 PolarHBondContact O-N 3.33Å; A29-A32 VanDerWaalsContact O-N 3.14Å; E30-A32 PolarHBondContact O-N 2.82Å; A32-L37 WeakPolarHBondContact O-CD2 3.39Å |
| 33 | A | 51.4 | Low | 67 | Low | 15 Ų | 15 | 51.2 Ų | 51.2 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76.8 | -36.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P20 L23 A29 E30 E31 G35 G36 | P20-A33 WeakPolarHBondContact CA-O 3.39Å; P20-A33 WeakPolarHBondContact CB-O 3.44Å; L23-A33 HydrophobicContact CB-CB 4.14Å; L23-A33 HydrophobicContact CD1-CB 3.65Å; A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.27Å; E30-A33 PolarHBondContact O-N 3.14Å; E31-A33 VanDerWaalsContact C-N 3.34Å; A33-G35 PolarHBondContact O-N 3.02Å; A33-G36 PolarHBondContact O-N 3.34Å |
| 34 | A | 54.6 | Low | 68.9 | Low | 70 Ų | 70 | 51.9 Ų | 51.9 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | E30 | E30-A34 WeakPolarHBondContact O-CB 3.29Å; E30-A34 PolarHBondContact O-N 3.04Å |
| 35 | G | 67.6 | Low | 71 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -14.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | A33 V52 A53 | A33-G35 PolarHBondContact O-N 3.02Å; G35-V52 WeakPolarHBondContact O-CB 3.42Å; G35-A53 VanDerWaalsContact CA-CB 3.45Å |
| 36 | G | 84.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | 72.7 | 161.2 | -159.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S18 A33 V52 | S18-G36 VanDerWaalsContact O-CA 3.29Å; S18-G36 WeakPolarHBondContact O-CA 3.39Å; A33-G36 PolarHBondContact O-N 3.34Å; G36-V52 PolarHBondContact O-N 3.44Å; G36-V52 VanDerWaalsContact O-N 3.12Å | ||
| 37 | L | 89.2 | Confident | 75.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.9 | -172.9 | -63.3 | 177.1 | 0 | 0 | 0 | 110.6 | Y17 S18 L23 A32 V49 Q51 I94 L95 | Y17-L37 WeakPolarHBondContact CA-O 3.31Å; S18-L37 PolarHBondContact N-O 3.13Å; S18-L37 PolarHBondContact O-N 3.49Å; L23-L37 HydrophobicContact CD1-CD1 4.08Å; L23-L37 HydrophobicContact CD1-CG 4.38Å; A32-L37 WeakPolarHBondContact O-CD2 3.39Å; L37-V49 HydrophobicContact CB-CG1 4.46Å; L37-V49 HydrophobicContact CD2-CG1 4.32Å; L37-Q51 HydrophobicContact CD2-CB 4.49Å; L37-I94 HydrophobicContact CD1-CG2 3.68Å; L37-L95 HydrophobicContact CD1-CD2 4.36Å |
| 38 | L | 91.3 | Very high | 77.6 | Confident | 26 Ų | 26 | 36.2 Ų | 36.2 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.5 | 175.3 | 174.2 | 68.9 | 0 | 0 | 0 | 108.7 | F5 L15 Y17 T40 V49 W50 V52 | F5-L38 HydrophobicContact CD2-CD2 3.92Å; F5-L38 HydrophobicContact CE2-CD2 3.86Å; F5-L38 HydrophobicContact CG-CD2 4.35Å; F5-L38 HydrophobicContact CZ-CD2 4.23Å; L15-L38 HydrophobicContact CB-CD1 4.37Å; L15-L38 HydrophobicContact CD1-CD1 4.25Å; Y17-L38 HydrophobicContact CD2-CB 4.45Å; L38-T40 HydrophobicContact CD1-CG2 4.44Å; L38-T40 HydrophobicContact CD2-CG2 4.36Å; L38-T40 HydrophobicContact CG-CG2 4.08Å; L38-V49 CarbonylContact O-C 3.56Å; L38-W50 HydrophobicContact CB-CB 4.37Å; L38-W50 PolarHBondContact N-O 2.9Å; L38-W50 PolarHBondContact O-N 2.72Å; L38-V52 HydrophobicContact CB-CG2 3.67Å |
| 39 | V | 93.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.2 | 175.1 | -162.3 | 0 | 0 | 0 | 0 | 109.7 | L15 A16 K48 V49 L71 L73 | L15-V39 CarbonylContact C-O 3.44Å; L15-V39 VanDerWaalsContact CA-O 3.24Å; L15-V39 WeakPolarHBondContact CA-O 3.48Å; A16-V39 PolarHBondContact N-O 3.47Å; A16-V39 PolarHBondContact O-N 3.29Å; V39-K48 CarbonylContact C-O 3.57Å; V39-K48 WeakPolarHBondContact CA-O 3.49Å; V39-V49 HydrophobicContact CG1-CG2 4.1Å; V39-V49 HydrophobicContact CG2-CG1 4.37Å; V39-V49 HydrophobicContact CG2-CG2 4.15Å; V39-L71 HydrophobicContact CB-CD1 4.22Å; V39-L71 HydrophobicContact CB-CD2 3.97Å; V39-L71 HydrophobicContact CG1-CD1 3.62Å; V39-L71 HydrophobicContact CG1-CD2 4.15Å; V39-L73 HydrophobicContact CB-CD2 4.1Å; V39-L73 HydrophobicContact CG2-CD1 4.29Å; V39-L73 HydrophobicContact CG2-CD2 3.7Å |
| 40 | T | 95.6 | Very high | 81.9 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 128.8 | -170.4 | 49.3 | 0 | 0 | 0 | 0 | 111.2 | H8 V12 T14 L15 L38 A47 K48 W50 | H8-T40 PolarHBondContact CE1-O 2.73Å; H8-T40 PolarHBondContact NE2-O 2.86Å; H8-T40 PolarHBondContact NE2-OG1 3.04Å; V12-T40 HydrophobicContact CG1-CG2 4.42Å; T14-T40 CarbonylContact O-C 3.53Å; T14-T40 WeakPolarHBondContact O-CA 3.23Å; L15-T40 HydrophobicContact CB-CG2 3.96Å; L38-T40 HydrophobicContact CD1-CG2 4.44Å; L38-T40 HydrophobicContact CD2-CG2 4.36Å; L38-T40 HydrophobicContact CG-CG2 4.08Å; T40-A47 CarbonylContact O-C 3.56Å; T40-A47 WeakPolarHBondContact O-CA 3.15Å; T40-A47 WeakPolarHBondContact O-CB 3.39Å; T40-K48 PolarHBondContact N-O 2.98Å; T40-K48 PolarHBondContact O-N 2.64Å; T40-K48 PolarHBondContact OG1-O 3.42Å; T40-W50 PolarHBondContact OG1-NE1 3.03Å |
| 41 | G | 95.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V12 L13 T14 | V12-G41 WeakPolarHBondContact CG1-O 3.37Å; L13-G41 PolarHBondContact N-O 3.44Å; T14-G41 PolarHBondContact N-O 2.84Å; T14-G41 PolarHBondContact O-N 2.82Å |
| 42 | S | 96 | Very high | 85.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 158.2 | -172.9 | 176.5 | 0 | 0 | 0 | 0 | 113.8 | H8 C11 D44 G45 T46 V68 | H8-S42 VanDerWaalsContact ND1-CB 3.27Å; H8-S42 WeakPolarHBondContact ND1-CB 3.24Å; C11-S42 PolarHBondContact O-OG 2.86Å; S42-D44 WeakPolarHBondContact CB-OD1 3.38Å; S42-D44 WeakPolarHBondContact CB-OD2 3.48Å; S42-D44 PolarHBondContact O-N 3.03Å; S42-D44 PolarHBondContact OG-N 3.03Å; S42-D44 VanDerWaalsContact OG-N 3.13Å; S42-D44 PolarHBondContact OG-OD1 2.78Å; S42-D44 PolarHBondContact OG-OD2 2.77Å; S42-G45 PolarHBondContact O-N 3Å; S42-T46 PolarHBondContact N-O 2.93Å; S42-V68 PolarHBondContact O-N 3.48Å |
| 43 | T | 95.4 | Very high | 87.4 | Confident | 50 Ų | 50 | 19.9 Ų | 19.9 | 31% | 0.307 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12 | 167.3 | 38.2 | 0 | 0 | 0 | 0 | 113.8 | N10 C11 L13 G45 A67 | N10-T43 WeakPolarHBondContact CB-OG1 3.48Å; C11-T43 PolarHBondContact N-OG1 3.45Å; C11-T43 PolarHBondContact O-N 2.96Å; C11-T43 PolarHBondContact O-OG1 2.93Å; L13-T43 HydrophobicContact CD1-CG2 3.62Å; L13-T43 HydrophobicContact CD2-CG2 3.92Å; L13-T43 HydrophobicContact CG-CG2 3.79Å; T43-G45 PolarHBondContact O-N 3.25Å; T43-A67 HydrophobicContact CG2-CB 4.04Å |
| 44 | D | 93.9 | Very high | 89 | Confident | 39 Ų | 39 | 21.3 Ų | 21.3 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 3.5 | 172.3 | 60.3 | 44.2 | 0 | 0 | 0 | 114.6 | H8 R9 N10 S42 T46 | H8-D44 IonicContact ND1-OD2 3.77Å; R9-D44 HydrophobicContact CB-CB 4.12Å; R9-D44 PolarHBondContact N-OD2 2.63Å; N10-D44 HydrophobicContact CB-CB 4.16Å; N10-D44 PolarHBondContact N-OD2 3.26Å; S42-D44 WeakPolarHBondContact CB-OD1 3.38Å; S42-D44 WeakPolarHBondContact CB-OD2 3.48Å; S42-D44 PolarHBondContact O-N 3.03Å; S42-D44 PolarHBondContact OG-N 3.03Å; S42-D44 VanDerWaalsContact OG-N 3.13Å; S42-D44 PolarHBondContact OG-OD1 2.78Å; S42-D44 PolarHBondContact OG-OD2 2.77Å; D44-T46 VanDerWaalsContact C-N 3.26Å; D44-T46 PolarHBondContact O-N 2.88Å; D44-T46 WeakPolarHBondContact OD1-CB 3.43Å; D44-T46 PolarHBondContact OD1-N 3.24Å; D44-T46 PolarHBondContact OD1-OG1 2.96Å |
| 45 | G | 92.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 18.9 Ų | 18.9 | 6% | 0.062 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 78 | 6.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S42 T43 G66 | S42-G45 PolarHBondContact O-N 3Å; T43-G45 PolarHBondContact O-N 3.25Å; G45-G66 WeakPolarHBondContact CA-O 3.14Å |
| 46 | T | 95.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 14% | 0.141 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 155.4 | 170.9 | 75.7 | 0 | 0 | 0 | 0 | 112 | S42 D44 T60 L61 R62 | S42-T46 PolarHBondContact N-O 2.93Å; D44-T46 VanDerWaalsContact C-N 3.26Å; D44-T46 PolarHBondContact O-N 2.88Å; D44-T46 WeakPolarHBondContact OD1-CB 3.43Å; D44-T46 PolarHBondContact OD1-N 3.24Å; D44-T46 PolarHBondContact OD1-OG1 2.96Å; T46-T60 HydrophobicContact CG2-CG2 4.35Å; T46-L61 WeakPolarHBondContact CA-O 3.34Å; T46-R62 HydrophobicContact CG2-CG 4.07Å |
| 47 | A | 95.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T40 T60 L61 L71 T82 | T40-A47 CarbonylContact O-C 3.56Å; T40-A47 WeakPolarHBondContact O-CA 3.15Å; T40-A47 WeakPolarHBondContact O-CB 3.39Å; A47-T60 CarbonylContact O-C 3.59Å; A47-L61 HydrophobicContact CB-CB 4.17Å; A47-L61 HydrophobicContact CB-CD1 4.12Å; A47-L61 PolarHBondContact N-O 2.84Å; A47-L61 WeakPolarHBondContact O-CB 3.44Å; A47-L61 PolarHBondContact O-N 2.86Å; A47-L71 HydrophobicContact CB-CD1 4.25Å; A47-T82 HydrophobicContact CB-CG2 4.17Å |
| 48 | K | 94.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 27.3 Ų | 27.3 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132 | -179.4 | -72.9 | 178.4 | 172.7 | -78.2 | 0 | 111 | G7 V39 T40 W50 Q59 T60 | G7-K48 VanDerWaalsContact O-CE 3.23Å; G7-K48 WeakPolarHBondContact O-CE 3.25Å; V39-K48 CarbonylContact C-O 3.57Å; V39-K48 WeakPolarHBondContact CA-O 3.49Å; T40-K48 PolarHBondContact N-O 2.98Å; T40-K48 PolarHBondContact O-N 2.64Å; T40-K48 PolarHBondContact OG1-O 3.42Å; K48-W50 HydrophobicContact CB-CZ2 4.03Å; K48-W50 HydrophobicContact CD-CH2 4.15Å; K48-W50 HydrophobicContact CD-CZ2 3.56Å; K48-W50 HydrophobicContact CG-CZ2 4.44Å; K48-Q59 WeakPolarHBondContact CA-O 3.46Å; K48-T60 HydrophobicContact CG-CG2 4.05Å; K48-T60 PolarHBondContact NZ-OG1 2.86Å |
| 49 | V | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.8 | 170 | -175.1 | 0 | 0 | 0 | 0 | 107.5 | L37 L38 V39 C57 H58 Q59 L61 I94 | L37-V49 HydrophobicContact CB-CG1 4.46Å; L37-V49 HydrophobicContact CD2-CG1 4.32Å; L38-V49 CarbonylContact O-C 3.56Å; V39-V49 HydrophobicContact CG1-CG2 4.1Å; V39-V49 HydrophobicContact CG2-CG1 4.37Å; V39-V49 HydrophobicContact CG2-CG2 4.15Å; V49-C57 CarbonylContact O-C 3.53Å; V49-H58 HydrophobicContact CB-CB 4.43Å; V49-H58 HydrophobicContact CG1-CB 4.2Å; V49-H58 PolarHBondContact O-N 2.82Å; V49-Q59 HydrophobicContact CB-CB 4.03Å; V49-Q59 HydrophobicContact CG2-CB 3.99Å; V49-Q59 PolarHBondContact N-O 2.82Å; V49-Q59 PolarHBondContact O-N 3.27Å; V49-L61 HydrophobicContact CG2-CD1 4.32Å; V49-L61 HydrophobicContact CG2-CG 4.46Å; V49-I94 HydrophobicContact CG1-CG2 3.69Å; V49-I94 HydrophobicContact CG2-CG2 4.06Å |
| 50 | W | 92.4 | Very high | 91.8 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.1 | 177.9 | -50.6 | 87.1 | 0 | 0 | 0 | 110 | F5 R6 L38 T40 K48 C56 C57 | F5-W50 HydrophobicContact CB-CD2 4Å; F5-W50 HydrophobicContact CB-CE3 4.07Å; F5-W50 HydrophobicContact CB-CG 4.48Å; F5-W50 HydrophobicContact CB-CZ2 4.42Å; F5-W50 HydrophobicContact CB-CZ3 4.31Å; F5-W50 HydrophobicContact CD1-CB 3.69Å; F5-W50 AromaticContact CD1-CD2 3.83Å; F5-W50 HydrophobicContact CD1-CD2 3.83Å; F5-W50 AromaticContact CD1-CE3 3.76Å; F5-W50 HydrophobicContact CD1-CE3 3.76Å; F5-W50 AromaticContact CD1-CG 3.82Å; F5-W50 HydrophobicContact CD1-CG 3.82Å; F5-W50 HydrophobicContact CE1-CB 3.82Å; F5-W50 HydrophobicContact CE1-CG 4.44Å; F5-W50 HydrophobicContact CG-CD2 4.3Å; F5-W50 HydrophobicContact CG-CE3 4.4Å; F5-W50 HydrophobicContact CG-CG 4.39Å; R6-W50 WeakPolarHBondContact O-CH2 3.35Å; L38-W50 HydrophobicContact CB-CB 4.37Å; L38-W50 PolarHBondContact N-O 2.9Å; L38-W50 PolarHBondContact O-N 2.72Å; T40-W50 PolarHBondContact OG1-NE1 3.03Å; K48-W50 HydrophobicContact CB-CZ2 4.03Å; K48-W50 HydrophobicContact CD-CH2 4.15Å; K48-W50 HydrophobicContact CD-CZ2 3.56Å; K48-W50 HydrophobicContact CG-CZ2 4.44Å; W50-C56 VanDerWaalsContact CA-O 3.31Å; W50-C56 WeakPolarHBondContact CA-O 3.48Å; W50-C57 HydrophobicContact CD2-CB 4.4Å; W50-C57 HydrophobicContact CE3-CB 3.73Å; W50-C57 HydrophobicContact CH2-CB 4.15Å; W50-C57 HydrophobicContact CZ3-CB 3.59Å |
| 51 | Q | 89.7 | Confident | 91.7 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 113 | 173 | -179.3 | -166.4 | 23.1 | 0 | 0 | 107.7 | E31 L37 A53 S54 G55 C56 | E31-Q51 PolarHBondContact O-NE2 2.8Å; L37-Q51 HydrophobicContact CD2-CB 4.49Å; Q51-A53 PolarHBondContact O-N 2.75Å; Q51-S54 WeakPolarHBondContact CB-OG 3.34Å; Q51-S54 VanDerWaalsContact CD-OG 3.25Å; Q51-S54 PolarHBondContact O-N 2.89Å; Q51-S54 PolarHBondContact O-OG 3.44Å; Q51-S54 PolarHBondContact OE1-OG 2.84Å; Q51-G55 WeakPolarHBondContact O-CA 3.49Å; Q51-G55 PolarHBondContact O-N 3.32Å; Q51-C56 PolarHBondContact N-O 2.99Å |
| 52 | V | 87.9 | Confident | 91.6 | Very high | 42 Ų | 42 | 39 Ų | 39 | 26% | 0.255 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -31.5 | -167 | 174.1 | 0 | 0 | 0 | 0 | 112.5 | R3 F5 Y17 G35 G36 L38 | R3-V52 PolarHBondContact NH1-O 2.68Å; F5-V52 HydrophobicContact CZ-CB 4.4Å; F5-V52 HydrophobicContact CZ-CG1 4.31Å; F5-V52 HydrophobicContact CZ-CG2 4.12Å; Y17-V52 HydrophobicContact CD2-CG2 4.35Å; Y17-V52 HydrophobicContact CE2-CG2 4.05Å; G35-V52 WeakPolarHBondContact O-CB 3.42Å; G36-V52 PolarHBondContact O-N 3.44Å; G36-V52 VanDerWaalsContact O-N 3.12Å; L38-V52 HydrophobicContact CB-CG2 3.67Å |
| 53 | A | 85.3 | Confident | 91.4 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R3 G35 Q51 | R3-A53 VanDerWaalsContact NH1-C 3.28Å; R3-A53 PolarHBondContact NH1-O 2.93Å; G35-A53 VanDerWaalsContact CA-CB 3.45Å; Q51-A53 PolarHBondContact O-N 2.75Å |
| 54 | S | 83.9 | Confident | 91.4 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 32% | 0.315 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -37.2 | 176.8 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | Q51 C56 | Q51-S54 WeakPolarHBondContact CB-OG 3.34Å; Q51-S54 VanDerWaalsContact CD-OG 3.25Å; Q51-S54 PolarHBondContact O-N 2.89Å; Q51-S54 PolarHBondContact O-OG 3.44Å; Q51-S54 PolarHBondContact OE1-OG 2.84Å; S54-C56 WeakPolarHBondContact OG-CB 3.28Å; S54-C56 PolarHBondContact OG-N 3.33Å |
| 55 | G | 85.3 | Confident | 91.4 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 19% | 0.186 | 25% | 0.251 | C | S | . | . | trans | 90.3 | -3.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q51 | Q51-G55 WeakPolarHBondContact O-CA 3.49Å; Q51-G55 PolarHBondContact O-N 3.32Å | ||
| 56 | C | 87.6 | Confident | 91.4 | Very high | 73 Ų | 73 | 43.6 Ų | 43.6 | 49% | 0.493 | 26% | 0.255 | S | S | . | . | trans | -78 | 150.1 | -173.7 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | W50 Q51 S54 H58 | W50-C56 VanDerWaalsContact CA-O 3.31Å; W50-C56 WeakPolarHBondContact CA-O 3.48Å; Q51-C56 PolarHBondContact N-O 2.99Å; S54-C56 WeakPolarHBondContact OG-CB 3.28Å; S54-C56 PolarHBondContact OG-N 3.33Å; C56-H58 PolarHBondContact O-N 2.87Å | ||
| 57 | C | 91.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 32% | 0.324 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 107.1 | 167.4 | -170.3 | 0 | 0 | 0 | 0 | 108 | V49 W50 Q59 | V49-C57 CarbonylContact O-C 3.53Å; W50-C57 HydrophobicContact CD2-CB 4.4Å; W50-C57 HydrophobicContact CE3-CB 3.73Å; W50-C57 HydrophobicContact CH2-CB 4.15Å; W50-C57 HydrophobicContact CZ3-CB 3.59Å; C57-Q59 PolarHBondContact SG-O 3.01Å |
| 58 | H | 88.8 | Confident | 91.5 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -50.6 | 177.5 | -177.4 | 59.1 | 0 | 0 | 0 | 110.9 | V49 C56 L95 | V49-H58 HydrophobicContact CB-CB 4.43Å; V49-H58 HydrophobicContact CG1-CB 4.2Å; V49-H58 PolarHBondContact O-N 2.82Å; C56-H58 PolarHBondContact O-N 2.87Å; H58-L95 PolarHBondContact NE2-O 2.89Å |
| 59 | Q | 92.5 | Very high | 91.5 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.2 | -179 | -69.6 | -68.1 | -1 | 0 | 0 | 112.5 | K48 V49 C57 L61 L95 S96 | K48-Q59 WeakPolarHBondContact CA-O 3.46Å; V49-Q59 HydrophobicContact CB-CB 4.03Å; V49-Q59 HydrophobicContact CG2-CB 3.99Å; V49-Q59 PolarHBondContact N-O 2.82Å; V49-Q59 PolarHBondContact O-N 3.27Å; C57-Q59 PolarHBondContact SG-O 3.01Å; Q59-L61 HydrophobicContact CB-CD2 4.47Å; Q59-L95 PolarHBondContact NE2-O 3.03Å; Q59-S96 PolarHBondContact NE2-O 3.46Å |
| 60 | T | 94.2 | Very high | 91.5 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 99.2 | 169.2 | -57 | 0 | 0 | 0 | 0 | 109.5 | T46 A47 K48 R62 | T46-T60 HydrophobicContact CG2-CG2 4.35Å; A47-T60 CarbonylContact O-C 3.59Å; K48-T60 HydrophobicContact CG-CG2 4.05Å; K48-T60 PolarHBondContact NZ-OG1 2.86Å; T60-R62 HydrophobicContact CG2-CG 3.97Å; T60-R62 PolarHBondContact O-N 3.24Å |
| 61 | L | 94.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 108.7 | 177.9 | -49.4 | 177.6 | 0 | 0 | 0 | 108.6 | T46 A47 V49 Q59 W92 G97 | T46-L61 WeakPolarHBondContact CA-O 3.34Å; A47-L61 HydrophobicContact CB-CB 4.17Å; A47-L61 HydrophobicContact CB-CD1 4.12Å; A47-L61 PolarHBondContact N-O 2.84Å; A47-L61 WeakPolarHBondContact O-CB 3.44Å; A47-L61 PolarHBondContact O-N 2.86Å; V49-L61 HydrophobicContact CG2-CD1 4.32Å; V49-L61 HydrophobicContact CG2-CG 4.46Å; Q59-L61 HydrophobicContact CB-CD2 4.47Å; L61-W92 HydrophobicContact CB-CD2 3.86Å; L61-W92 HydrophobicContact CB-CE3 3.84Å; L61-W92 HydrophobicContact CB-CG 4.41Å; L61-W92 HydrophobicContact CB-CH2 4.35Å; L61-W92 HydrophobicContact CB-CZ2 4.34Å; L61-W92 HydrophobicContact CB-CZ3 4.08Å; L61-W92 HydrophobicContact CD1-CB 3.96Å; L61-W92 HydrophobicContact CD1-CD2 4.14Å; L61-W92 HydrophobicContact CD1-CG 3.78Å; L61-W92 HydrophobicContact CD2-CB 4.01Å; L61-W92 HydrophobicContact CD2-CD2 4.13Å; L61-W92 HydrophobicContact CD2-CE3 3.92Å; L61-W92 HydrophobicContact CD2-CG 4.19Å; L61-W92 HydrophobicContact CG-CD2 4.25Å; L61-W92 HydrophobicContact CG-CE3 4.34Å; L61-W92 HydrophobicContact CG-CG 4.34Å; L61-G97 WeakPolarHBondContact CD2-O 3.33Å |
| 62 | R | 94.3 | Very high | 91.8 | Very high | 183 Ų | 183 | 44.7 Ų | 44.7 | 69% | 0.691 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.3 | -178.6 | -60 | -170.9 | -170.1 | -171.7 | 6.9 | 110.6 | T46 T60 W92 | T46-R62 HydrophobicContact CG2-CG 4.07Å; T60-R62 HydrophobicContact CG2-CG 3.97Å; T60-R62 PolarHBondContact O-N 3.24Å; R62-W92 WeakPolarHBondContact O-CH2 3.18Å |
| 63 | G | 91.5 | Very high | 91.9 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | trans | 164 | -24.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R90 | G63-R90 VanDerWaalsContact C-CZ 3.41Å; G63-R90 PolarHBondContact O-NH1 3.24Å; G63-R90 PolarHBondContact O-NH2 2.81Å | ||
| 64 | H | 94.2 | Very high | 92 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | trans | -64.1 | 139.5 | 171.9 | -76.7 | -68.8 | 0 | 0 | 0 | 110.7 | V68 T82 S84 D86 T88 R90 | H64-V68 HydrophobicContact CB-CG2 4.47Å; H64-T82 PolarHBondContact NE2-O 3.44Å; H64-T82 PolarHBondContact NE2-OG1 3.35Å; H64-S84 VanDerWaalsContact CE1-CB 3.49Å; H64-S84 WeakPolarHBondContact CE1-CB 3.18Å; H64-S84 WeakPolarHBondContact ND1-CB 3.24Å; H64-D86 VanDerWaalsContact CA-OD2 3.25Å; H64-D86 WeakPolarHBondContact CA-OD2 3.46Å; H64-D86 IonicContact CE1-OD1 3.68Å; H64-D86 IonicContact CG-OD2 3.84Å; H64-D86 VanDerWaalsContact ND1-CG 3.29Å; H64-D86 IonicContact ND1-OD1 2.77Å; H64-D86 PolarHBondContact ND1-OD1 2.85Å; H64-D86 IonicContact ND1-OD2 2.89Å; H64-D86 PolarHBondContact ND1-OD2 2.89Å; H64-T88 PolarHBondContact CE1-OG1 2.8Å; H64-T88 VanDerWaalsContact CE1-OG1 3.28Å; H64-T88 PolarHBondContact ND1-OG1 2.93Å; H64-R90 PolarHBondContact ND1-NE 2.91Å | ||
| 65 | T | 94.6 | Very high | 91.6 | Very high | 129 Ų | 129 | 41.1 Ų | 41.1 | 79% | 0.791 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -95 | 6.5 | 177.1 | 58 | 0 | 0 | 0 | 0 | 113.1 | D86 | T65-D86 PolarHBondContact N-OD2 2.9Å; T65-D86 VanDerWaalsContact OG1-CB 3.25Å; T65-D86 WeakPolarHBondContact OG1-CB 3.49Å |
| 66 | G | 93.8 | Very high | 91 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -153.1 | 171.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G45 V68 S84 T85 | G45-G66 WeakPolarHBondContact CA-O 3.14Å; G66-V68 PolarHBondContact O-N 3.48Å; G66-S84 PolarHBondContact O-OG 3.28Å; G66-T85 WeakPolarHBondContact CA-OG1 3.31Å |
| 67 | A | 95.1 | Very high | 90.4 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | trans | -54.9 | 132.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L13 T43 L69 S84 T85 | L13-A67 HydrophobicContact CD1-CB 4.17Å; T43-A67 HydrophobicContact CG2-CB 4.04Å; A67-L69 HydrophobicContact CB-CD2 4.18Å; A67-L69 PolarHBondContact O-N 3.02Å; A67-S84 CarbonylContact O-C 3.54Å; A67-S84 WeakPolarHBondContact O-CA 3.47Å; A67-S84 WeakPolarHBondContact O-CB 3.36Å; A67-S84 PolarHBondContact O-OG 3.2Å; A67-S84 VanDerWaalsContact O-OG 3.12Å; A67-T85 HydrophobicContact CB-CG2 4.21Å; A67-T85 PolarHBondContact N-OG1 3.05Å; A67-T85 VanDerWaalsContact N-OG1 3.09Å; A67-T85 PolarHBondContact O-N 2.93Å | ||
| 68 | V | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 107 | 174.2 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | T14 S42 H64 G66 T82 G83 | T14-V68 HydrophobicContact CG2-CG1 4.16Å; S42-V68 PolarHBondContact O-N 3.48Å; H64-V68 HydrophobicContact CB-CG2 4.47Å; G66-V68 PolarHBondContact O-N 3.48Å; V68-T82 HydrophobicContact CG1-CG2 4.28Å; V68-G83 CarbonylContact C-O 3.55Å |
| 69 | L | 94.7 | Very high | 90.2 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -33.8 | -173.3 | -59.9 | -171.9 | 0 | 0 | 0 | 112.9 | L13 A67 G83 T85 I111 | L13-L69 HydrophobicContact CD1-CD2 3.62Å; A67-L69 HydrophobicContact CB-CD2 4.18Å; A67-L69 PolarHBondContact O-N 3.02Å; L69-G83 PolarHBondContact N-O 2.88Å; L69-T85 HydrophobicContact CD1-CG2 3.82Å; L69-T85 HydrophobicContact CD2-CG2 3.89Å; L69-T85 HydrophobicContact CG-CG2 3.92Å; L69-I111 HydrophobicContact CD1-CG2 4.08Å |
| 70 | C | 93.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 147.5 | -173.7 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | G83 | C70-G83 PolarHBondContact N-O 3.17Å; C70-G83 PolarHBondContact O-N 3.27Å |
| 71 | L | 94.9 | Very high | 90.2 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 138 | -174.6 | -166.6 | 150 | 0 | 0 | 0 | 110.2 | T14 A16 V39 A47 L73 F81 T82 | T14-L71 HydrophobicContact CG2-CB 3.76Å; T14-L71 PolarHBondContact OG1-N 2.81Å; A16-L71 HydrophobicContact CB-CD2 3.6Å; V39-L71 HydrophobicContact CB-CD1 4.22Å; V39-L71 HydrophobicContact CB-CD2 3.97Å; V39-L71 HydrophobicContact CG1-CD1 3.62Å; V39-L71 HydrophobicContact CG1-CD2 4.15Å; A47-L71 HydrophobicContact CB-CD1 4.25Å; L71-L73 HydrophobicContact CD2-CD2 3.69Å; L71-L73 HydrophobicContact CD2-CG 4.28Å; L71-F81 WeakPolarHBondContact CA-O 3.43Å; L71-T82 HydrophobicContact CD1-CG2 3.73Å; L71-T82 HydrophobicContact CG-CG2 3.99Å |
| 72 | V | 93.4 | Very high | 90.3 | Very high | 23 Ų | 23 | 35 Ų | 35 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 146.3 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 109 | F81 L113 C115 | V72-F81 PolarHBondContact N-O 3.41Å; V72-F81 PolarHBondContact O-N 2.78Å; V72-L113 HydrophobicContact CB-CB 4.39Å; V72-L113 HydrophobicContact CG2-CB 3.65Å; V72-L113 WeakPolarHBondContact CG2-O 3.45Å; V72-C115 HydrophobicContact CG1-CB 3.44Å; V72-C115 VanDerWaalsContact CG1-CB 3.44Å |
| 73 | L | 90.4 | Very high | 90.3 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.2 | 174.5 | -51 | 178.7 | 0 | 0 | 0 | 109.1 | A16 V39 L71 T75 A80 I94 | A16-L73 HydrophobicContact CB-CD1 3.92Å; A16-L73 HydrophobicContact CB-CD2 4.47Å; A16-L73 HydrophobicContact CB-CG 3.81Å; V39-L73 HydrophobicContact CB-CD2 4.1Å; V39-L73 HydrophobicContact CG2-CD1 4.29Å; V39-L73 HydrophobicContact CG2-CD2 3.7Å; L71-L73 HydrophobicContact CD2-CD2 3.69Å; L71-L73 HydrophobicContact CD2-CG 4.28Å; L73-T75 HydrophobicContact CB-CG2 4.09Å; L73-A80 HydrophobicContact CD2-CB 3.8Å; L73-I94 HydrophobicContact CD2-CD1 3.9Å |
| 74 | D | 87.4 | Confident | 90.5 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 101.7 | 152.8 | -176.4 | 56.6 | 0 | 0 | 0 | 107.3 | G77 H78 T79 F81 R117 F255 | D74-G77 PolarHBondContact O-N 3.19Å; D74-G77 WeakPolarHBondContact OD2-CA 3.2Å; D74-G77 PolarHBondContact OD2-N 3.44Å; D74-H78 PolarHBondContact O-N 2.57Å; D74-H78 VanDerWaalsContact O-N 3.14Å; D74-T79 PolarHBondContact N-O 2.98Å; D74-T79 PolarHBondContact O-N 3.35Å; D74-T79 VanDerWaalsContact O-N 3.14Å; D74-F81 HydrophobicContact CB-CE2 4.28Å; D74-R117 IonicContact OD1-NH1 3.79Å; D74-R117 PolarHBondContact OD1-NH1 3.24Å; D74-F255 HydrophobicContact CB-CD2 4.33Å; D74-F255 HydrophobicContact CB-CE2 3.99Å |
| 75 | T | 75.6 | Confident | 90.6 | Very high | 29 Ų | 29 | 27 Ų | 27 | 18% | 0.178 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -43.6 | -168.6 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | S18 D22 L73 G77 H78 | S18-T75 WeakPolarHBondContact OG-CG2 3.06Å; D22-T75 HydrophobicContact CB-CG2 4.28Å; D22-T75 PolarHBondContact OD1-OG1 3.02Å; L73-T75 HydrophobicContact CB-CG2 4.09Å; T75-G77 VanDerWaalsContact C-N 3.32Å; T75-G77 PolarHBondContact O-N 3.48Å; T75-H78 PolarHBondContact O-CE1 3.09Å; T75-H78 PolarHBondContact O-N 3.34Å; T75-H78 PolarHBondContact O-ND1 3.35Å |
| 76 | P | 72.8 | Confident | 90.6 | Very high | 68 Ų | 68 | 22.1 Ų | 22.1 | 44% | 0.442 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -19.7 | 177.5 | 31.7 | -37 | 0 | 0 | 0 | 113.6 | R117 | P76-R117 VanDerWaalsContact CG-NH1 3.3Š|
| 77 | G | 75.3 | Confident | 90.5 | Very high | 37 Ų | 37 | 22.3 Ų | 22.3 | 38% | 0.381 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 4.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D74 T75 T79 | D74-G77 PolarHBondContact O-N 3.19Å; D74-G77 WeakPolarHBondContact OD2-CA 3.2Å; D74-G77 PolarHBondContact OD2-N 3.44Å; T75-G77 VanDerWaalsContact C-N 3.32Å; T75-G77 PolarHBondContact O-N 3.48Å; G77-T79 PolarHBondContact O-N 3.03Å; G77-T79 PolarHBondContact O-OG1 3.12Å |
| 78 | H | 84 | Confident | 90.5 | Very high | 35 Ų | 35 | 22 Ų | 22 | 16% | 0.162 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 26.1 | -176.3 | -55.8 | -25.4 | 0 | 0 | 0 | 114.7 | L23 P24 D74 T75 I94 L95 | L23-H78 VanDerWaalsContact CD2-CE1 3.45Å; L23-H78 WeakPolarHBondContact CD2-CE1 3.37Å; L23-H78 WeakPolarHBondContact CD2-ND1 3.34Å; P24-H78 WeakPolarHBondContact CD-CE1 3.42Å; P24-H78 WeakPolarHBondContact CD-NE2 3.45Å; D74-H78 PolarHBondContact O-N 2.57Å; D74-H78 VanDerWaalsContact O-N 3.14Å; T75-H78 PolarHBondContact O-CE1 3.09Å; T75-H78 PolarHBondContact O-N 3.34Å; T75-H78 PolarHBondContact O-ND1 3.35Å; H78-I94 WeakPolarHBondContact O-CB 3.29Å; H78-I94 WeakPolarHBondContact O-CD1 3.38Å; H78-I94 WeakPolarHBondContact O-CG1 3.2Å; H78-I94 PolarHBondContact O-N 3.14Å; H78-L95 HydrophobicContact CB-CD1 4.42Å; H78-L95 HydrophobicContact CB-CG 4.39Å |
| 79 | T | 90.1 | Very high | 90.4 | Very high | 22 Ų | 22 | 22.2 Ų | 22.2 | 14% | 0.135 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.7 | -169.1 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | D74 G77 F81 A91 W92 L100 | D74-T79 PolarHBondContact N-O 2.98Å; D74-T79 PolarHBondContact O-N 3.35Å; D74-T79 VanDerWaalsContact O-N 3.14Å; G77-T79 PolarHBondContact O-N 3.03Å; G77-T79 PolarHBondContact O-OG1 3.12Å; T79-F81 HydrophobicContact CG2-CD2 4.07Å; T79-F81 HydrophobicContact CG2-CE1 4.05Å; T79-F81 HydrophobicContact CG2-CE2 3.5Å; T79-F81 HydrophobicContact CG2-CZ 3.5Å; T79-F81 VanDerWaalsContact CG2-CZ 3.5Å; T79-A91 HydrophobicContact CG2-CB 4.02Å; T79-W92 CarbonylContact C-O 3.6Å; T79-W92 VanDerWaalsContact CA-O 3.29Å; T79-W92 WeakPolarHBondContact CA-O 3.32Å; T79-L100 HydrophobicContact CG2-CD1 4.26Å |
| 80 | A | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L73 A91 W92 I94 | L73-A80 HydrophobicContact CD2-CB 3.8Å; A80-A91 CarbonylContact O-C 3.58Å; A80-A91 WeakPolarHBondContact O-CA 3.47Å; A80-W92 PolarHBondContact N-O 3.14Å; A80-W92 PolarHBondContact O-N 2.88Å; A80-I94 HydrophobicContact CB-CD1 4.18Å; A80-I94 HydrophobicContact CB-CG1 3.75Å |
| 81 | F | 94.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 20.4 Ų | 20.4 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.2 | 171.9 | -64 | -86.6 | 0 | 0 | 0 | 109.7 | L71 V72 D74 T79 R90 A91 F103 L113 F255 L257 | L71-F81 WeakPolarHBondContact CA-O 3.43Å; V72-F81 PolarHBondContact N-O 3.41Å; V72-F81 PolarHBondContact O-N 2.78Å; D74-F81 HydrophobicContact CB-CE2 4.28Å; T79-F81 HydrophobicContact CG2-CD2 4.07Å; T79-F81 HydrophobicContact CG2-CE1 4.05Å; T79-F81 HydrophobicContact CG2-CE2 3.5Å; T79-F81 HydrophobicContact CG2-CZ 3.5Å; T79-F81 VanDerWaalsContact CG2-CZ 3.5Å; F81-R90 CarbonylContact C-O 3.54Å; F81-R90 WeakPolarHBondContact CA-O 3.4Å; F81-A91 HydrophobicContact CD1-CB 3.89Å; F81-A91 HydrophobicContact CE1-CB 3.69Å; F81-F103 HydrophobicContact CE1-CE2 4.48Å; F81-L113 HydrophobicContact CB-CD1 4.16Å; F81-F255 HydrophobicContact CD2-CZ 4.09Å; F81-F255 HydrophobicContact CE1-CE1 4.47Å; F81-F255 HydrophobicContact CE1-CZ 4.29Å; F81-F255 HydrophobicContact CE2-CE1 4.15Å; F81-F255 AromaticContact CE2-CE2 3.9Å; F81-F255 HydrophobicContact CE2-CE2 3.9Å; F81-F255 AromaticContact CE2-CZ 3.34Å; F81-F255 HydrophobicContact CE2-CZ 3.34Å; F81-F255 AromaticContact CZ-CE1 3.79Å; F81-F255 HydrophobicContact CZ-CE1 3.79Å; F81-F255 HydrophobicContact CZ-CE2 4.35Å; F81-F255 AromaticContact CZ-CZ 3.46Å; F81-F255 HydrophobicContact CZ-CZ 3.46Å; F81-F255 VanDerWaalsContact CZ-CZ 3.46Å; F81-L257 HydrophobicContact CB-CD1 4.34Å; F81-L257 HydrophobicContact CB-CD2 4.35Å; F81-L257 HydrophobicContact CD1-CD2 3.62Å; F81-L257 HydrophobicContact CE1-CD2 4.08Å; F81-L257 HydrophobicContact CG-CD1 4.25Å; F81-L257 HydrophobicContact CG-CD2 4.04Å |
| 82 | T | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.6 | -179.8 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | A47 H64 V68 L71 I89 R90 W92 | A47-T82 HydrophobicContact CB-CG2 4.17Å; H64-T82 PolarHBondContact NE2-O 3.44Å; H64-T82 PolarHBondContact NE2-OG1 3.35Å; V68-T82 HydrophobicContact CG1-CG2 4.28Å; L71-T82 HydrophobicContact CD1-CG2 3.73Å; L71-T82 HydrophobicContact CG-CG2 3.99Å; T82-I89 CarbonylContact O-C 3.56Å; T82-I89 VanDerWaalsContact O-CA 3.27Å; T82-I89 WeakPolarHBondContact O-CA 3.49Å; T82-R90 PolarHBondContact N-O 3.37Å; T82-R90 PolarHBondContact O-N 3.3Å; T82-W92 PolarHBondContact OG1-NE1 2.89Å |
| 83 | G | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | V68 L69 C70 | V68-G83 CarbonylContact C-O 3.55Å; L69-G83 PolarHBondContact N-O 2.88Å; C70-G83 PolarHBondContact N-O 3.17Å; C70-G83 PolarHBondContact O-N 3.27Å |
| 84 | S | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 165.5 | -170.1 | 169.5 | 0 | 0 | 0 | 0 | 113.3 | H64 G66 A67 D86 A87 T88 V110 | H64-S84 VanDerWaalsContact CE1-CB 3.49Å; H64-S84 WeakPolarHBondContact CE1-CB 3.18Å; H64-S84 WeakPolarHBondContact ND1-CB 3.24Å; G66-S84 PolarHBondContact O-OG 3.28Å; A67-S84 CarbonylContact O-C 3.54Å; A67-S84 WeakPolarHBondContact O-CA 3.47Å; A67-S84 WeakPolarHBondContact O-CB 3.36Å; A67-S84 PolarHBondContact O-OG 3.2Å; A67-S84 VanDerWaalsContact O-OG 3.12Å; S84-D86 VanDerWaalsContact CB-OD1 3.31Å; S84-D86 WeakPolarHBondContact CB-OD1 3.45Å; S84-D86 PolarHBondContact O-N 2.87Å; S84-D86 PolarHBondContact OG-N 3.37Å; S84-D86 PolarHBondContact OG-OD1 3.03Å; S84-A87 PolarHBondContact O-N 2.63Å; S84-T88 PolarHBondContact N-O 3.12Å; S84-V110 PolarHBondContact O-N 3Å |
| 85 | T | 95.8 | Very high | 90.2 | Very high | 62 Ų | 62 | 21.6 Ų | 21.6 | 38% | 0.38 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.4 | 164.6 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | G66 A67 L69 A87 | G66-T85 WeakPolarHBondContact CA-OG1 3.31Å; A67-T85 HydrophobicContact CB-CG2 4.21Å; A67-T85 PolarHBondContact N-OG1 3.05Å; A67-T85 VanDerWaalsContact N-OG1 3.09Å; A67-T85 PolarHBondContact O-N 2.93Å; L69-T85 HydrophobicContact CD1-CG2 3.82Å; L69-T85 HydrophobicContact CD2-CG2 3.89Å; L69-T85 HydrophobicContact CG-CG2 3.92Å; T85-A87 PolarHBondContact O-N 2.89Å; T85-A87 VanDerWaalsContact O-N 3.1Å |
| 86 | D | 94 | Very high | 90.7 | Very high | 28 Ų | 28 | 22.9 Ų | 22.9 | 15% | 0.15 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 4.7 | 173.1 | 80.9 | -7.1 | 0 | 0 | 0 | 114.3 | H64 T65 S84 T88 R90 | H64-D86 VanDerWaalsContact CA-OD2 3.25Å; H64-D86 WeakPolarHBondContact CA-OD2 3.46Å; H64-D86 IonicContact CE1-OD1 3.68Å; H64-D86 IonicContact CG-OD2 3.84Å; H64-D86 VanDerWaalsContact ND1-CG 3.29Å; H64-D86 IonicContact ND1-OD1 2.77Å; H64-D86 PolarHBondContact ND1-OD1 2.85Å; H64-D86 IonicContact ND1-OD2 2.89Å; H64-D86 PolarHBondContact ND1-OD2 2.89Å; T65-D86 PolarHBondContact N-OD2 2.9Å; T65-D86 VanDerWaalsContact OG1-CB 3.25Å; T65-D86 WeakPolarHBondContact OG1-CB 3.49Å; S84-D86 VanDerWaalsContact CB-OD1 3.31Å; S84-D86 WeakPolarHBondContact CB-OD1 3.45Å; S84-D86 PolarHBondContact O-N 2.87Å; S84-D86 PolarHBondContact OG-N 3.37Å; S84-D86 PolarHBondContact OG-OD1 3.03Å; D86-T88 VanDerWaalsContact CG-OG1 3.22Å; D86-T88 PolarHBondContact O-N 2.77Å; D86-T88 WeakPolarHBondContact OD1-CA 3.2Å; D86-T88 WeakPolarHBondContact OD1-CB 3.21Å; D86-T88 PolarHBondContact OD1-N 3.47Å; D86-T88 PolarHBondContact OD1-OG1 2.87Å; D86-T88 PolarHBondContact OD2-OG1 2.95Å; D86-T88 VanDerWaalsContact OD2-OG1 3.12Å; D86-R90 IonicContact OD2-CZ 3.7Å; D86-R90 IonicContact OD2-NE 2.85Å; D86-R90 IonicContact OD2-NH2 3.05Å; D86-R90 PolarHBondContact OD2-NH2 2.89Å |
| 87 | A | 92.5 | Very high | 91.4 | Very high | 18 Ų | 18 | 20.3 Ų | 20.3 | 15% | 0.149 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 59.3 | 24.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | S84 T85 H106 G108 | S84-A87 PolarHBondContact O-N 2.63Å; T85-A87 PolarHBondContact O-N 2.89Å; T85-A87 VanDerWaalsContact O-N 3.1Å; A87-H106 VanDerWaalsContact CB-O 3.31Å; A87-H106 WeakPolarHBondContact CB-O 3.34Å; A87-H106 WeakPolarHBondContact O-CB 3.25Å; A87-G108 VanDerWaalsContact CB-C 3.45Å; A87-G108 WeakPolarHBondContact CB-O 3.47Å |
| 88 | T | 94.3 | Very high | 92.2 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | trans | -113.8 | 151.6 | 169.6 | 74 | 0 | 0 | 0 | 0 | 111.8 | H64 S84 D86 R90 V102 F103 R104 | H64-T88 PolarHBondContact CE1-OG1 2.8Å; H64-T88 VanDerWaalsContact CE1-OG1 3.28Å; H64-T88 PolarHBondContact ND1-OG1 2.93Å; S84-T88 PolarHBondContact N-O 3.12Å; D86-T88 VanDerWaalsContact CG-OG1 3.22Å; D86-T88 PolarHBondContact O-N 2.77Å; D86-T88 WeakPolarHBondContact OD1-CA 3.2Å; D86-T88 WeakPolarHBondContact OD1-CB 3.21Å; D86-T88 PolarHBondContact OD1-N 3.47Å; D86-T88 PolarHBondContact OD1-OG1 2.87Å; D86-T88 PolarHBondContact OD2-OG1 2.95Å; D86-T88 VanDerWaalsContact OD2-OG1 3.12Å; T88-R90 PolarHBondContact OG1-NE 2.92Å; T88-V102 HydrophobicContact CG2-CG1 4.07Å; T88-F103 WeakPolarHBondContact CA-O 3.35Å; T88-R104 HydrophobicContact CG2-CG 3.99Å | ||
| 89 | I | 95.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141 | 157.5 | -54.9 | 168.2 | 0 | 0 | 0 | 106.7 | T82 V102 F103 H106 V110 L113 L257 A259 | T82-I89 CarbonylContact O-C 3.56Å; T82-I89 VanDerWaalsContact O-CA 3.27Å; T82-I89 WeakPolarHBondContact O-CA 3.49Å; I89-V102 CarbonylContact O-C 3.6Å; I89-V102 WeakPolarHBondContact O-CA 3.38Å; I89-F103 HydrophobicContact CB-CB 4.17Å; I89-F103 HydrophobicContact CB-CD2 3.92Å; I89-F103 HydrophobicContact CB-CG 4.45Å; I89-F103 HydrophobicContact CG2-CD2 4.03Å; I89-F103 PolarHBondContact N-O 3.26Å; I89-F103 VanDerWaalsContact N-O 3.11Å; I89-F103 PolarHBondContact O-N 2.84Å; I89-H106 VanDerWaalsContact CD1-NE2 3.27Å; I89-H106 WeakPolarHBondContact CD1-NE2 3.48Å; I89-V110 HydrophobicContact CD1-CG1 4.43Å; I89-V110 HydrophobicContact CG1-CG1 4.09Å; I89-V110 HydrophobicContact CG1-CG2 3.95Å; I89-L113 HydrophobicContact CD1-CD2 3.64Å; I89-L113 HydrophobicContact CG1-CD2 4.07Å; I89-L113 HydrophobicContact CG2-CD1 4.13Å; I89-L113 HydrophobicContact CG2-CD2 4.34Å; I89-L257 HydrophobicContact CG2-CD2 4.18Å; I89-A259 HydrophobicContact CD1-CB 3.59Å |
| 90 | R | 94.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 30.4 Ų | 30.4 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.1 | 175.3 | -61.8 | -177.2 | -170.1 | -148.9 | 19.7 | 110.6 | G63 H64 F81 T82 D86 T88 W92 R101 V102 | G63-R90 VanDerWaalsContact C-CZ 3.41Å; G63-R90 PolarHBondContact O-NH1 3.24Å; G63-R90 PolarHBondContact O-NH2 2.81Å; H64-R90 PolarHBondContact ND1-NE 2.91Å; F81-R90 CarbonylContact C-O 3.54Å; F81-R90 WeakPolarHBondContact CA-O 3.4Å; T82-R90 PolarHBondContact N-O 3.37Å; T82-R90 PolarHBondContact O-N 3.3Å; D86-R90 IonicContact OD2-CZ 3.7Å; D86-R90 IonicContact OD2-NE 2.85Å; D86-R90 IonicContact OD2-NH2 3.05Å; D86-R90 PolarHBondContact OD2-NH2 2.89Å; T88-R90 PolarHBondContact OG1-NE 2.92Å; R90-W92 HydrophobicContact CB-CZ2 3.79Å; R90-W92 HydrophobicContact CG-CZ2 4.35Å; R90-R101 WeakPolarHBondContact CA-O 3.35Å; R90-V102 HydrophobicContact CG-CB 4.37Å; R90-V102 HydrophobicContact CG-CG1 3.99Å; R90-V102 HydrophobicContact CG-CG2 4.05Å |
| 91 | A | 94.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | T79 A80 F81 Q99 L100 R101 F103 | T79-A91 HydrophobicContact CG2-CB 4.02Å; A80-A91 CarbonylContact O-C 3.58Å; A80-A91 WeakPolarHBondContact O-CA 3.47Å; F81-A91 HydrophobicContact CD1-CB 3.89Å; F81-A91 HydrophobicContact CE1-CB 3.69Å; A91-Q99 CarbonylContact O-C 3.6Å; A91-L100 HydrophobicContact CB-CB 4.32Å; A91-L100 PolarHBondContact O-N 2.9Å; A91-R101 HydrophobicContact CB-CB 4.22Å; A91-R101 PolarHBondContact N-O 3.08Å; A91-R101 PolarHBondContact O-N 2.87Å; A91-F103 HydrophobicContact CB-CE2 4.28Å |
| 92 | W | 94.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.2 | -178.8 | -45.8 | 82.8 | 0 | 0 | 0 | 109.9 | L61 R62 T79 A80 T82 R90 E98 Q99 | L61-W92 HydrophobicContact CB-CD2 3.86Å; L61-W92 HydrophobicContact CB-CE3 3.84Å; L61-W92 HydrophobicContact CB-CG 4.41Å; L61-W92 HydrophobicContact CB-CH2 4.35Å; L61-W92 HydrophobicContact CB-CZ2 4.34Å; L61-W92 HydrophobicContact CB-CZ3 4.08Å; L61-W92 HydrophobicContact CD1-CB 3.96Å; L61-W92 HydrophobicContact CD1-CD2 4.14Å; L61-W92 HydrophobicContact CD1-CG 3.78Å; L61-W92 HydrophobicContact CD2-CB 4.01Å; L61-W92 HydrophobicContact CD2-CD2 4.13Å; L61-W92 HydrophobicContact CD2-CE3 3.92Å; L61-W92 HydrophobicContact CD2-CG 4.19Å; L61-W92 HydrophobicContact CG-CD2 4.25Å; L61-W92 HydrophobicContact CG-CE3 4.34Å; L61-W92 HydrophobicContact CG-CG 4.34Å; R62-W92 WeakPolarHBondContact O-CH2 3.18Å; T79-W92 CarbonylContact C-O 3.6Å; T79-W92 VanDerWaalsContact CA-O 3.29Å; T79-W92 WeakPolarHBondContact CA-O 3.32Å; A80-W92 PolarHBondContact N-O 3.14Å; A80-W92 PolarHBondContact O-N 2.88Å; T82-W92 PolarHBondContact OG1-NE1 2.89Å; R90-W92 HydrophobicContact CB-CZ2 3.79Å; R90-W92 HydrophobicContact CG-CZ2 4.35Å; W92-E98 CarbonylContact C-O 3.53Å; W92-E98 WeakPolarHBondContact CA-O 3.27Å; W92-Q99 HydrophobicContact CD2-CB 4.4Å; W92-Q99 HydrophobicContact CD2-CG 4.31Å; W92-Q99 HydrophobicContact CE3-CB 3.62Å; W92-Q99 HydrophobicContact CE3-CG 3.93Å; W92-Q99 HydrophobicContact CH2-CB 4.19Å; W92-Q99 HydrophobicContact CH2-CG 3.91Å; W92-Q99 HydrophobicContact CZ2-CG 4.32Å; W92-Q99 HydrophobicContact CZ3-CB 3.5Å; W92-Q99 HydrophobicContact CZ3-CG 3.73Å |
| 93 | D | 91.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.3 | 160.8 | 168.7 | 29 | 0 | 0 | 0 | 108.7 | L95 S96 G97 E98 L100 | D93-L95 VanDerWaalsContact C-N 3.3Å; D93-L95 PolarHBondContact OD1-N 3.41Å; D93-S96 WeakPolarHBondContact CB-OG 3.33Å; D93-S96 WeakPolarHBondContact OD2-CB 3.02Å; D93-S96 PolarHBondContact OD2-N 3.43Å; D93-S96 PolarHBondContact OD2-OG 2.89Å; D93-G97 WeakPolarHBondContact O-CA 3.36Å; D93-G97 PolarHBondContact O-N 2.93Å; D93-E98 PolarHBondContact N-O 3.46Å; D93-L100 HydrophobicContact CB-CD1 4.23Å; D93-L100 HydrophobicContact CB-CD2 4.23Å; D93-L100 HydrophobicContact CB-CG 4.32Å |
| 94 | I | 88.4 | Confident | 92.6 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28.7 | -179.4 | -62.6 | 164.7 | 0 | 0 | 0 | 111.1 | L37 V49 L73 H78 A80 | L37-I94 HydrophobicContact CD1-CG2 3.68Å; V49-I94 HydrophobicContact CG1-CG2 3.69Å; V49-I94 HydrophobicContact CG2-CG2 4.06Å; L73-I94 HydrophobicContact CD2-CD1 3.9Å; H78-I94 WeakPolarHBondContact O-CB 3.29Å; H78-I94 WeakPolarHBondContact O-CD1 3.38Å; H78-I94 WeakPolarHBondContact O-CG1 3.2Å; H78-I94 PolarHBondContact O-N 3.14Å; A80-I94 HydrophobicContact CB-CD1 4.18Å; A80-I94 HydrophobicContact CB-CG1 3.75Å |
| 95 | L | 85.6 | Confident | 92.1 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 29% | 0.293 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -57.7 | -174.6 | -58.2 | -179.3 | 0 | 0 | 0 | 111.8 | L37 H58 Q59 H78 D93 | L37-L95 HydrophobicContact CD1-CD2 4.36Å; H58-L95 PolarHBondContact NE2-O 2.89Å; Q59-L95 PolarHBondContact NE2-O 3.03Å; H78-L95 HydrophobicContact CB-CD1 4.42Å; H78-L95 HydrophobicContact CB-CG 4.39Å; D93-L95 VanDerWaalsContact C-N 3.3Å; D93-L95 PolarHBondContact OD1-N 3.41Å |
| 96 | S | 86.8 | Confident | 91.5 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -23.1 | 176.5 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | Q59 D93 E98 | Q59-S96 PolarHBondContact NE2-O 3.46Å; D93-S96 WeakPolarHBondContact CB-OG 3.33Å; D93-S96 WeakPolarHBondContact OD2-CB 3.02Å; D93-S96 PolarHBondContact OD2-N 3.43Å; D93-S96 PolarHBondContact OD2-OG 2.89Å; S96-E98 WeakPolarHBondContact OG-CB 3.31Å; S96-E98 PolarHBondContact OG-N 3.23Å |
| 97 | G | 87.5 | Confident | 91 | Very high | 15 Ų | 15 | 69 Ų | 69 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | trans | 77.5 | 3.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L61 D93 | L61-G97 WeakPolarHBondContact CD2-O 3.33Å; D93-G97 WeakPolarHBondContact O-CA 3.36Å; D93-G97 PolarHBondContact O-N 2.93Å | ||
| 98 | E | 91.1 | Very high | 90.8 | Very high | 133 Ų | 133 | 69.3 Ų | 69.3 | 62% | 0.621 | 32% | 0.321 | S | S | * | . | trans | -72.4 | 147.6 | -176.5 | -70 | -164.6 | 164 | 0 | 0 | 113.6 | W92 D93 S96 L100 | W92-E98 CarbonylContact C-O 3.53Å; W92-E98 WeakPolarHBondContact CA-O 3.27Å; D93-E98 PolarHBondContact N-O 3.46Å; S96-E98 WeakPolarHBondContact OG-CB 3.31Å; S96-E98 PolarHBondContact OG-N 3.23Å; E98-L100 PolarHBondContact O-N 2.78Å | ||
| 99 | Q | 94.6 | Very high | 90.7 | Very high | 82 Ų | 82 | 71.3 Ų | 71.3 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | trans | -88.5 | 88.5 | -179.7 | -169.8 | -157.6 | -117.9 | 0 | 0 | 111.2 | A91 W92 R101 V102 | A91-Q99 CarbonylContact O-C 3.6Å; W92-Q99 HydrophobicContact CD2-CB 4.4Å; W92-Q99 HydrophobicContact CD2-CG 4.31Å; W92-Q99 HydrophobicContact CE3-CB 3.62Å; W92-Q99 HydrophobicContact CE3-CG 3.93Å; W92-Q99 HydrophobicContact CH2-CB 4.19Å; W92-Q99 HydrophobicContact CH2-CG 3.91Å; W92-Q99 HydrophobicContact CZ2-CG 4.32Å; W92-Q99 HydrophobicContact CZ3-CB 3.5Å; W92-Q99 HydrophobicContact CZ3-CG 3.73Å; Q99-R101 PolarHBondContact O-N 3.04Å; Q99-V102 HydrophobicContact CG-CG2 4.17Å | ||
| 100 | L | 92.8 | Very high | 90.5 | Very high | 90 Ų | 90 | 71.2 Ų | 71.2 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | trans | -57 | -47.5 | -177.6 | -56.3 | 176.6 | 0 | 0 | 0 | 113.9 | T79 A91 D93 E98 | T79-L100 HydrophobicContact CG2-CD1 4.26Å; A91-L100 HydrophobicContact CB-CB 4.32Å; A91-L100 PolarHBondContact O-N 2.9Å; D93-L100 HydrophobicContact CB-CD1 4.23Å; D93-L100 HydrophobicContact CB-CD2 4.23Å; D93-L100 HydrophobicContact CB-CG 4.32Å; E98-L100 PolarHBondContact O-N 2.78Å | ||
| 101 | R | 93.4 | Very high | 90.3 | Very high | 173 Ų | 173 | 74.1 Ų | 74.1 | 65% | 0.653 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155.3 | -177.6 | -63.7 | -170.7 | -177.8 | -179.9 | 2.9 | 113 | R90 A91 Q99 F103 | R90-R101 WeakPolarHBondContact CA-O 3.35Å; A91-R101 HydrophobicContact CB-CB 4.22Å; A91-R101 PolarHBondContact N-O 3.08Å; A91-R101 PolarHBondContact O-N 2.87Å; Q99-R101 PolarHBondContact O-N 3.04Å; R101-F103 HydrophobicContact CB-CE2 4.16Å; R101-F103 HydrophobicContact CB-CZ 4.17Å |
| 102 | V | 94.8 | Very high | 90 | Very high | 33 Ų | 33 | 76.4 Ų | 76.4 | 20% | 0.2 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 115.9 | 171.2 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | T88 I89 R90 Q99 R104 | T88-V102 HydrophobicContact CG2-CG1 4.07Å; I89-V102 CarbonylContact O-C 3.6Å; I89-V102 WeakPolarHBondContact O-CA 3.38Å; R90-V102 HydrophobicContact CG-CB 4.37Å; R90-V102 HydrophobicContact CG-CG1 3.99Å; R90-V102 HydrophobicContact CG-CG2 4.05Å; Q99-V102 HydrophobicContact CG-CG2 4.17Å; V102-R104 HydrophobicContact CG1-CG 3.93Å |
| 103 | F | 93 | Very high | 89.7 | Confident | 70 Ų | 70 | 77 Ų | 77 | 31% | 0.307 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.8 | 176.5 | -50 | -91.7 | 0 | 0 | 0 | 109 | F81 T88 I89 A91 R101 | F81-F103 HydrophobicContact CE1-CE2 4.48Å; T88-F103 WeakPolarHBondContact CA-O 3.35Å; I89-F103 HydrophobicContact CB-CB 4.17Å; I89-F103 HydrophobicContact CB-CD2 3.92Å; I89-F103 HydrophobicContact CB-CG 4.45Å; I89-F103 HydrophobicContact CG2-CD2 4.03Å; I89-F103 PolarHBondContact N-O 3.26Å; I89-F103 VanDerWaalsContact N-O 3.11Å; I89-F103 PolarHBondContact O-N 2.84Å; A91-F103 HydrophobicContact CB-CE2 4.28Å; R101-F103 HydrophobicContact CB-CE2 4.16Å; R101-F103 HydrophobicContact CB-CZ 4.17Å |
| 104 | R | 91.9 | Very high | 89.5 | Confident | 172 Ų | 172 | 79.3 Ų | 79.3 | 65% | 0.649 | 38% | 0.38 | S | S | * | . | trans | -112.7 | 14 | -174.6 | -65 | -167.2 | 168 | 87.1 | -4.5 | 114.3 | T88 V102 H106 | T88-R104 HydrophobicContact CG2-CG 3.99Å; V102-R104 HydrophobicContact CG1-CG 3.93Å; R104-H106 PolarHBondContact O-N 3.47Å | ||
| 105 | E | 85.6 | Confident | 89 | Confident | 180 Ų | 180 | 80.7 Ų | 80.7 | 84% | 0.841 | 39% | 0.39 | S | S | * | . | trans | -72.6 | -11.2 | -177.9 | -61.6 | 177.5 | -175.7 | 0 | 0 | 113 | ||||
| 106 | H | 83.2 | Confident | 88.7 | Confident | 45 Ų | 45 | 80.5 Ų | 80.5 | 21% | 0.208 | 39% | 0.393 | C | S | . | . | trans | -85.9 | 121.9 | -178.9 | -64.6 | -76.5 | 0 | 0 | 0 | 111.6 | A87 I89 R104 G108 V110 R261 | A87-H106 VanDerWaalsContact CB-O 3.31Å; A87-H106 WeakPolarHBondContact CB-O 3.34Å; A87-H106 WeakPolarHBondContact O-CB 3.25Å; I89-H106 VanDerWaalsContact CD1-NE2 3.27Å; I89-H106 WeakPolarHBondContact CD1-NE2 3.48Å; R104-H106 PolarHBondContact O-N 3.47Å; H106-G108 PolarHBondContact O-N 3.1Å; H106-V110 HydrophobicContact CB-CG2 4.28Å; H106-R261 PolarHBondContact ND1-NH2 3.16Å | ||
| 107 | R | 84.3 | Confident | 87.5 | Confident | 246 Ų | 246 | 85 Ų | 85 | 93% | 0.928 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -79.1 | 18.6 | 172.6 | -64.1 | -175.6 | 174.3 | -177.3 | -2.7 | 115.8 | ||
| 108 | G | 88.8 | Confident | 85.9 | Confident | 23 Ų | 23 | 87.6 Ų | 87.6 | 24% | 0.237 | 42% | 0.422 | C | S | . | . | S | Bend | trans | 171.2 | 170 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A87 H106 R261 | A87-G108 VanDerWaalsContact CB-C 3.45Å; A87-G108 WeakPolarHBondContact CB-O 3.47Å; H106-G108 PolarHBondContact O-N 3.1Å; G108-R261 VanDerWaalsContact C-NH1 3.34Å; G108-R261 PolarHBondContact O-NH1 3.22Å |
| 109 | S | 91.3 | Very high | 83.8 | Confident | 53 Ų | 53 | 86.3 Ų | 86.3 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | trans | -41.5 | 133.8 | -172.5 | -55.6 | 0 | 0 | 0 | 0 | 115.1 | R261 | S109-R261 PolarHBondContact O-NH1 3.02Š| ||
| 110 | V | 92.2 | Very high | 81.4 | Confident | 3 Ų | 3 | 85.8 Ų | 85.8 | 2% | 0.018 | 45% | 0.451 | C | S | . | . | trans | -93.7 | 112.6 | 172.7 | -175 | 0 | 0 | 0 | 0 | 108.2 | S84 I89 H106 L113 | S84-V110 PolarHBondContact O-N 3Å; I89-V110 HydrophobicContact CD1-CG1 4.43Å; I89-V110 HydrophobicContact CG1-CG1 4.09Å; I89-V110 HydrophobicContact CG1-CG2 3.95Å; H106-V110 HydrophobicContact CB-CG2 4.28Å; V110-L113 HydrophobicContact CG1-CD2 3.93Å; V110-L113 HydrophobicContact CG1-CG 4.23Å | ||
| 111 | I | 90.4 | Very high | 78.7 | Confident | 79 Ų | 79 | 88 Ų | 88 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | trans | -98.7 | -24.5 | -170.5 | 62.6 | 170 | 0 | 0 | 0 | 114 | L69 R262 | L69-I111 HydrophobicContact CD1-CG2 4.08Å; I111-R262 HydrophobicContact CD1-CB 3.74Å | ||
| 112 | C | 88.4 | Confident | 76.3 | Confident | 51 Ų | 51 | 87.8 Ų | 87.8 | 35% | 0.345 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152.7 | 173.4 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | R260 | C112-R260 PolarHBondContact O-N 3.15Å |
| 113 | L | 89.2 | Confident | 73.5 | Confident | 19 Ų | 19 | 90.4 Ų | 90.4 | 10% | 0.099 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 149.1 | 175.2 | -69.1 | 173.5 | 0 | 0 | 0 | 108 | V72 F81 I89 V110 L257 A259 | V72-L113 HydrophobicContact CB-CB 4.39Å; V72-L113 HydrophobicContact CG2-CB 3.65Å; V72-L113 WeakPolarHBondContact CG2-O 3.45Å; F81-L113 HydrophobicContact CB-CD1 4.16Å; I89-L113 HydrophobicContact CD1-CD2 3.64Å; I89-L113 HydrophobicContact CG1-CD2 4.07Å; I89-L113 HydrophobicContact CG2-CD1 4.13Å; I89-L113 HydrophobicContact CG2-CD2 4.34Å; V110-L113 HydrophobicContact CG1-CD2 3.93Å; V110-L113 HydrophobicContact CG1-CG 4.23Å; L113-L257 HydrophobicContact CB-CD1 4.38Å; L113-L257 HydrophobicContact CD2-CD1 4.4Å; L113-L257 HydrophobicContact CD2-CD2 4.45Å; L113-L257 HydrophobicContact CD2-CG 4.47Å; L113-A259 HydrophobicContact CD2-CB 3.66Å |
| 114 | E | 87.1 | Confident | 71.1 | Confident | 81 Ų | 81 | 93.8 Ų | 93.8 | 38% | 0.379 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 116 | -177.8 | -175.7 | 176.8 | -174.5 | 0 | 0 | 107.9 | V258 R260 | E114-V258 HydrophobicContact CB-CB 4.39Å; E114-V258 PolarHBondContact N-O 3.15Å; E114-V258 PolarHBondContact O-N 2.99Å; E114-R260 VanDerWaalsContact CD-NH2 3.31Å; E114-R260 IonicContact OE1-NH2 3.95Å; E114-R260 PolarHBondContact OE1-NH2 3.37Å; E114-R260 VanDerWaalsContact OE1-NH2 3.12Å; E114-R260 IonicContact OE2-CZ 2.93Å; E114-R260 IonicContact OE2-NE 3.13Å; E114-R260 PolarHBondContact OE2-NE 3.23Å; E114-R260 IonicContact OE2-NH2 3.12Å; E114-R260 PolarHBondContact OE2-NH2 3.11Å |
| 115 | C | 77.6 | Confident | 68.5 | Low | 36 Ų | 36 | 88.5 Ų | 88.5 | 24% | 0.243 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.3 | 168.7 | 169.5 | 0 | 0 | 0 | 0 | 107.9 | V72 F255 | V72-C115 HydrophobicContact CG1-CB 3.44Å; V72-C115 VanDerWaalsContact CG1-CB 3.44Å; C115-F255 HydrophobicContact CB-CE2 4.21Å; C115-F255 VanDerWaalsContact SG-CE2 3.51Å |
| 116 | S | 77.9 | Confident | 66.8 | Low | 51 Ų | 51 | 85.8 Ų | 85.8 | 36% | 0.357 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.2 | 164.3 | 62.1 | 0 | 0 | 0 | 0 | 109.3 | S256 | S116-S256 PolarHBondContact N-O 3.07Å; S116-S256 PolarHBondContact O-N 2.82Å; S116-S256 WeakPolarHBondContact OG-CB 3.27Å; S116-S256 PolarHBondContact OG-O 3.03Å |
| 117 | R | 63.3 | Low | 64.6 | Low | 149 Ų | 149 | 88.6 Ų | 88.6 | 56% | 0.562 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 115.4 | 169.2 | -63.9 | 179.7 | 63.5 | 77.8 | -0.1 | 107.2 | D74 P76 A119 | D74-R117 IonicContact OD1-NH1 3.79Å; D74-R117 PolarHBondContact OD1-NH1 3.24Å; P76-R117 VanDerWaalsContact CG-NH1 3.3Å; R117-A119 PolarHBondContact O-N 2.85Å |
| 118 | A | 53.5 | Low | 62.6 | Low | 71 Ų | 71 | 82.6 Ų | 82.6 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | trans | -66.4 | 118.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G120 G254 | A118-G120 VanDerWaalsContact C-N 3.34Å; A118-G120 PolarHBondContact O-N 2.77Å; A118-G254 VanDerWaalsContact CB-O 3.3Å; A118-G254 WeakPolarHBondContact CB-O 3.26Å; A118-G254 PolarHBondContact N-O 3.22Å | ||
| 119 | A | 46.9 | Very low | 60.1 | Low | 105 Ų | 105 | 92.5 Ų | 92.5 | 87% | 0.868 | 58% | 0.576 | S | S | * | * | trans | -69.6 | 91.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R117 T121 | R117-A119 PolarHBondContact O-N 2.85Å; A119-T121 PolarHBondContact O-N 3.07Å | ||
| 120 | G | 43.9 | Very low | 57.3 | Low | 72 Ų | 72 | 94.5 Ų | 94.5 | 74% | 0.742 | 59% | 0.59 | S | S | * | * | trans | -59.3 | 120.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A118 | A118-G120 VanDerWaalsContact C-N 3.34Å; A118-G120 PolarHBondContact O-N 2.77Å | ||
| 121 | T | 36.1 | Very low | 54.7 | Low | 137 Ų | 137 | 102.4 Ų | 102.4 | 84% | 0.84 | 63% | 0.631 | S | S | * | * | trans | 6.2 | 107 | 171.6 | -50.7 | 0 | 0 | 0 | 0 | 116.5 | A119 A123 | A119-T121 PolarHBondContact O-N 3.07Å; T121-A123 PolarHBondContact O-N 2.85Å | ||
| 122 | L | 42 | Very low | 52 | Low | 168 Ų | 168 | 106.9 Ų | 106.9 | 88% | 0.88 | 65% | 0.651 | S | S | * | * | trans | -53.8 | 122.2 | 167.1 | -71.9 | 168.2 | 0 | 0 | 0 | 110.6 | ||||
| 123 | A | 37.3 | Very low | 49.2 | Very low | 87 Ų | 87 | 109.1 Ų | 109.1 | 72% | 0.719 | 67% | 0.667 | S | S | * | * | trans | -67.2 | 138.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T121 G125 | T121-A123 PolarHBondContact O-N 2.85Å; A123-G125 VanDerWaalsContact C-N 3.33Å; A123-G125 PolarHBondContact O-N 3.25Å | ||
| 124 | P | 41.5 | Very low | 46.3 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | trans | -75.1 | 83.5 | 180 | 30.4 | -34.7 | 0 | 0 | 0 | 111.2 | ||||
| 125 | G | 38.9 | Very low | 43.4 | Very low | 62 Ų | 62 | 114.1 Ų | 114.1 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | trans | -117.7 | 128.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A123 | A123-G125 VanDerWaalsContact C-N 3.33Å; A123-G125 PolarHBondContact O-N 3.25Å | ||
| 126 | P | 47.9 | Very low | 40.9 | Very low | 123 Ų | 123 | 115.8 Ų | 115.8 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | -78.8 | 157 | -179.5 | 31.6 | -34.7 | 0 | 0 | 0 | 113.2 | ||||
| 127 | S | 37.2 | Very low | 38.5 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 81.4 | 87.9 | 160 | -54.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 128 | T | 43.1 | Very low | 36.9 | Very low | 119 Ų | 119 | 119 Ų | 119 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | 57.2 | 103.4 | 129.3 | 60 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 129 | R | 35.5 | Very low | 35.9 | Very low | 231 Ų | 231 | 119.4 Ų | 119.4 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | -163.4 | 153.3 | 99 | -118.2 | 161.8 | -77.1 | -150.9 | -1.8 | 114.9 | |||||
| 130 | S | 32.8 | Very low | 35 | Very low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | 32.9 | 87.6 | 160.9 | -59.3 | 0 | 0 | 0 | 0 | 119.1 | E132 | S130-E132 PolarHBondContact O-N 3.44Š| ||
| 131 | L | 37.3 | Very low | 34.4 | Very low | 168 Ų | 168 | 122 Ų | 122 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -88.4 | 86.3 | 148.7 | -133 | 154.2 | 0 | 0 | 0 | 107.2 | S133 | L131-S133 PolarHBondContact O-N 3.42Š| ||
| 132 | E | 35.2 | Very low | 34.1 | Very low | 174 Ų | 174 | 124.5 Ų | 124.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -74.6 | 73.3 | 174.3 | -71.6 | -165.1 | 138.4 | 0 | 0 | 110.4 | S130 C134 | S130-E132 PolarHBondContact O-N 3.44Å; E132-C134 PolarHBondContact O-N 2.8Å; E132-C134 VanDerWaalsContact O-N 3.08Å | ||
| 133 | S | 29.7 | Very low | 33.6 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | -63.5 | 105.6 | 168.6 | -176 | 0 | 0 | 0 | 0 | 109.2 | L131 G135 | L131-S133 PolarHBondContact O-N 3.42Å; S133-G135 VanDerWaalsContact C-N 3.27Å; S133-G135 PolarHBondContact O-N 3.48Å | ||
| 134 | C | 27.2 | Very low | 33.3 | Very low | 131 Ų | 131 | 123.7 Ų | 123.7 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -67.2 | 86.9 | 171.3 | -74.3 | 0 | 0 | 0 | 0 | 109.7 | E132 | E132-C134 PolarHBondContact O-N 2.8Å; E132-C134 VanDerWaalsContact O-N 3.08Å | ||
| 135 | G | 27 | Very low | 32.9 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -72 | 140.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | S133 | S133-G135 VanDerWaalsContact C-N 3.27Å; S133-G135 PolarHBondContact O-N 3.48Å | ||
| 136 | G | 25.4 | Very low | 32.6 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 152 | 108.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 137 | C | 26.3 | Very low | 31.9 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | cis | -144.7 | 133.5 | -0.6 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 138 | S | 29.9 | Very low | 31.6 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 97% | 0.965 | 81% | 0.812 | S | S | * | * | trans | -117.3 | 101.7 | 169.8 | -69 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 139 | G | 32.9 | Very low | 31 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 154.5 | 56.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 140 | A | 27.4 | Very low | 30.5 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | -147.2 | 58.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H142 | A140-H142 VanDerWaalsContact C-N 3.3Å; A140-H142 PolarHBondContact O-N 2.93Å | ||
| 141 | T | 32.4 | Very low | 30.3 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -72.8 | 84.6 | 162.4 | 46.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 142 | H | 28.3 | Very low | 29.8 | Very low | 189 Ų | 189 | 124.3 Ų | 124.3 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | trans | -161 | 145.6 | 148.9 | -95.5 | -59.8 | 0 | 0 | 0 | 111.2 | A140 | A140-H142 VanDerWaalsContact C-N 3.3Å; A140-H142 PolarHBondContact O-N 2.93Å | ||
| 143 | S | 32.1 | Very low | 29.3 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -76.9 | 132.4 | -177.9 | 51.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 144 | S | 30.8 | Very low | 29 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -159.9 | 142.5 | 139.7 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 145 | S | 34.6 | Very low | 29 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | trans | -91.7 | 138.2 | 171.6 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 146 | T | 30.9 | Very low | 29.2 | Very low | 130 Ų | 130 | 131 Ų | 131 | 80% | 0.798 | 84% | 0.837 | S | S | * | * | trans | 174.5 | 148 | 134.9 | -76.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 147 | A | 34.9 | Very low | 29.6 | Very low | 100 Ų | 100 | 133 Ų | 133 | 83% | 0.826 | 84% | 0.838 | S | S | * | * | trans | -76.1 | 131.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 148 | S | 29.8 | Very low | 30 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -135.8 | 146.1 | 174.1 | -85.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 149 | R | 30.7 | Very low | 30 | Very low | 239 Ų | 239 | 137.3 Ų | 137.3 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -82.7 | 127.8 | 176.1 | -77.5 | 167.7 | -96.7 | -164 | -8.2 | 109.7 | T151 | R149-T151 PolarHBondContact O-N 2.68Š| ||
| 150 | C | 25.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 91% | 0.912 | 84% | 0.835 | S | S | * | * | trans | -80 | 80.2 | 175.5 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | A152 | C150-A152 PolarHBondContact O-N 2.78Š| ||
| 151 | T | 28.7 | Very low | 30 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | trans | -77.6 | 103.4 | 160.6 | 48.2 | 0 | 0 | 0 | 0 | 109.1 | R149 R153 | R149-T151 PolarHBondContact O-N 2.68Å; T151-R153 PolarHBondContact O-N 3.12Å | ||
| 152 | A | 26.6 | Very low | 29.9 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -63.9 | 130.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C150 | C150-A152 PolarHBondContact O-N 2.78Š| ||
| 153 | R | 24.4 | Very low | 30.5 | Very low | 237 Ų | 237 | 137 Ų | 137 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | trans | -128.6 | 109.1 | 173.5 | -163.1 | 179.5 | -152.6 | -89.6 | 2 | 108.5 | T151 S155 | T151-R153 PolarHBondContact O-N 3.12Å; R153-S155 PolarHBondContact O-N 3.26Å | ||
| 154 | C | 23.9 | Very low | 30.2 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 133.5 | -177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 155 | S | 26.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 154.7 | 167.4 | 40.8 | 0 | 0 | 0 | 0 | 110.8 | R153 | R153-S155 PolarHBondContact O-N 3.26Š|
| 156 | T | 32.1 | Very low | 30 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 82% | 0.816 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 155 | -169 | 45 | 0 | 0 | 0 | 0 | 114 | ||
| 157 | P | 33.7 | Very low | 29.8 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 159.4 | 173.2 | 32.4 | -36.6 | 0 | 0 | 0 | 112.6 | ||
| 158 | P | 33.2 | Very low | 29.4 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 153.5 | 179.2 | 32.1 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 159 | R | 29.8 | Very low | 29.2 | Very low | 230 Ų | 230 | 136.5 Ų | 136.5 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 136.9 | 163.2 | -85.2 | 179.7 | 159.2 | -140.7 | -1.8 | 110 | ||
| 160 | T | 30.6 | Very low | 28.9 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 91% | 0.908 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 148.6 | 156.6 | 24.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 161 | T | 30.7 | Very low | 28.9 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | trans | -141.9 | 116.1 | -174.6 | 50 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 162 | A | 30.7 | Very low | 28.9 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -155.7 | 147.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 163 | P | 40.4 | Very low | 29 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | trans | -110 | 159.6 | -168.5 | 39.8 | -32.9 | 0 | 0 | 0 | 114.7 | ||||
| 164 | C | 25.7 | Very low | 29.4 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -126.2 | 149.8 | 154.7 | -74.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 165 | A | 29.2 | Very low | 30 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -112.6 | 163.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 166 | S | 31.4 | Very low | 30.2 | Very low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | 49 | 116.4 | 156.7 | 58.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 167 | G | 27.4 | Very low | 30.1 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -178.7 | 134.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 168 | T | 27.2 | Very low | 30.7 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -118.7 | 162.9 | -171.2 | -34 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 169 | C | 24.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | 91.6 | 138.1 | 155.6 | -61.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 170 | A | 25.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | 59.3 | 141.7 | 159 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 171 | G | 24.5 | Very low | 31 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | cis | 162.6 | 138.8 | -9.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 172 | S | 30.1 | Very low | 30.8 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -150.6 | 117.9 | 163.3 | -81.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 173 | E | 27.3 | Very low | 30.7 | Very low | 195 Ų | 195 | 127.7 Ų | 127.7 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -87.5 | 149.8 | 168.9 | -62.3 | -179.7 | 86.3 | 0 | 0 | 110.5 | ||||
| 174 | V | 32.7 | Very low | 30.1 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -174 | 144.7 | 130.1 | 140.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 175 | P | 37.5 | Very low | 30.2 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | -112.7 | 163.9 | -139.9 | 39.8 | -33.5 | 0 | 0 | 0 | 117.4 | ||||
| 176 | R | 30.4 | Very low | 30.3 | Very low | 243 Ų | 243 | 131 Ų | 131 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | 23 | 125.4 | 138.1 | -53.5 | 167.5 | -177 | 143.7 | 1.7 | 116.2 | ||||
| 177 | G | 29.9 | Very low | 30 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | 116.3 | -168.3 | 34.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 178 | P | 45.8 | Very low | 30 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -89.7 | -124.6 | -10.7 | 3.7 | 20.4 | 0 | 0 | 0 | 109.9 | ||||
| 179 | L | 29.1 | Very low | 30 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | cis | -143.4 | -172.8 | -1 | -110.2 | -174.7 | 0 | 0 | 0 | 110.8 | ||||
| 180 | R | 29.8 | Very low | 30.2 | Very low | 224 Ų | 224 | 127.8 Ų | 127.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -151.4 | -170.5 | -172 | -52.1 | 175.1 | 67.7 | -150.1 | 4.5 | 108.3 | ||||
| 181 | P | 41.6 | Very low | 30.3 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | cis | -127.6 | 179.6 | -8 | 34.9 | -11.5 | 0 | 0 | 0 | 112.6 | ||||
| 182 | C | 27.2 | Very low | 30.5 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | -163.2 | 163.4 | 77.8 | -97.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 183 | A | 27.9 | Very low | 30.2 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -9.9 | 138.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 184 | A | 28.4 | Very low | 30.3 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | cis | 74.4 | 137.6 | 44.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 185 | S | 28.2 | Very low | 30.2 | Very low | 82 Ų | 82 | 135 Ų | 135 | 57% | 0.573 | 78% | 0.783 | S | S | * | * | cis | -171.4 | 166.3 | -11.5 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 186 | R | 29.5 | Very low | 30.1 | Very low | 240 Ų | 240 | 135.8 Ų | 135.8 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | 71.9 | 153 | 163.9 | -53 | 149 | -159.6 | -111.6 | 1.7 | 115 | ||||
| 187 | G | 26.2 | Very low | 30.3 | Very low | 65 Ų | 65 | 130.3 Ų | 130.3 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | cis | -153.4 | 146.1 | -8.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 188 | S | 27.3 | Very low | 30.5 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | 76 | 76.1 | 68 | -60.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 189 | S | 27.7 | Very low | 30.2 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 165.5 | 161.7 | 145.2 | -80 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 190 | A | 27.1 | Very low | 30 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | cis | -171.1 | 141.5 | -34.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 191 | T | 27.3 | Very low | 30 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 30.9 | 105.3 | 147.3 | -47.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 192 | R | 29 | Very low | 29.5 | Very low | 236 Ų | 236 | 136 Ų | 136 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | -156.5 | 140.6 | 127.1 | -155.4 | 144.7 | -67.3 | -117.8 | 3.4 | 113.2 | |||||
| 193 | W | 25.3 | Very low | 29.8 | Very low | 247 Ų | 247 | 136.1 Ų | 136.1 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 136.8 | 164.6 | -76.9 | 66.7 | 0 | 0 | 0 | 109.7 | ||
| 194 | A | 28.5 | Very low | 29.9 | Very low | 102 Ų | 102 | 137 Ų | 137 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 122.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 195 | A | 31.6 | Very low | 31 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 152.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 196 | P | 34.5 | Very low | 31.1 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 150.9 | 177.5 | 29.9 | -35.5 | 0 | 0 | 0 | 112 | ||
| 197 | P | 34.9 | Very low | 31.1 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 156.8 | 176.8 | 28.6 | -34.8 | 0 | 0 | 0 | 112.7 | ||
| 198 | R | 33.3 | Very low | 31.9 | Very low | 245 Ų | 245 | 134.4 Ų | 134.4 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -111.2 | 164.7 | 178.4 | -96.9 | -170.2 | 176 | -139 | 1.2 | 111.8 | ||||
| 199 | P | 39.6 | Very low | 31.9 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | trans | -94.2 | 165.1 | -158.8 | 36.8 | -38 | 0 | 0 | 0 | 115.8 | ||||
| 200 | C | 25.7 | Very low | 32 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -140.1 | 153.8 | 163.1 | -71.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 201 | S | 29.2 | Very low | 32.1 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | cis | -162.9 | 170.6 | -6.4 | 37.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 202 | R | 31.2 | Very low | 32.8 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | trans | -73.7 | 172.2 | 174.4 | -68.4 | -169.3 | -176.7 | 177.4 | -2.6 | 113.2 | D204 | R202-D204 WeakPolarHBondContact CD-OD2 3.5Å; R202-D204 IonicContact CZ-OD1 2.68Å; R202-D204 IonicContact CZ-OD2 3.8Å; R202-D204 IonicContact NE-OD2 3.07Å; R202-D204 VanDerWaalsContact NH1-CG 3.3Å; R202-D204 IonicContact NH1-OD1 2.78Å; R202-D204 PolarHBondContact NH1-OD1 2.88Å; R202-D204 VanDerWaalsContact NH1-OD1 3.07Å; R202-D204 IonicContact NH1-OD2 3.81Å; R202-D204 PolarHBondContact NH1-OD2 2.87Å | ||
| 203 | P | 33.9 | Very low | 32.8 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -126.1 | 163.6 | 110.4 | 37.4 | -33.6 | 0 | 0 | 0 | 114.9 | |||||
| 204 | D | 29.8 | Very low | 33 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 58% | 0.583 | 80% | 0.799 | S | S | * | * | trans | -117.3 | -156.7 | 173.9 | -61.3 | -76.8 | 0 | 0 | 0 | 110.1 | R202 | R202-D204 WeakPolarHBondContact CD-OD2 3.5Å; R202-D204 IonicContact CZ-OD1 2.68Å; R202-D204 IonicContact CZ-OD2 3.8Å; R202-D204 IonicContact NE-OD2 3.07Å; R202-D204 VanDerWaalsContact NH1-CG 3.3Å; R202-D204 IonicContact NH1-OD1 2.78Å; R202-D204 PolarHBondContact NH1-OD1 2.88Å; R202-D204 VanDerWaalsContact NH1-OD1 3.07Å; R202-D204 IonicContact NH1-OD2 3.81Å; R202-D204 PolarHBondContact NH1-OD2 2.87Å | ||
| 205 | P | 51.6 | Low | 33.1 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | -135 | 164.6 | -98.6 | 41.9 | -24.7 | 0 | 0 | 0 | 119.3 | |||||
| 206 | A | 30 | Very low | 33.4 | Very low | 106 Ų | 106 | 134 Ų | 134 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | -163.8 | 165.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 207 | G | 30.2 | Very low | 33.4 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | 129.3 | 141.8 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 208 | P | 42 | Very low | 33.1 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | cis | -131.1 | 175.4 | -0.5 | 43.3 | -27.3 | 0 | 0 | 0 | 116.7 | ||||
| 209 | L | 27.8 | Very low | 33.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 33.9 | 131.5 | 153.9 | -92 | 73.2 | 0 | 0 | 0 | 123.2 | ||||
| 210 | Q | 29.4 | Very low | 32.9 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | -159.6 | 155.3 | 103.7 | -106.5 | -175.4 | 25.6 | 0 | 0 | 112.9 | |||||
| 211 | T | 29.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -146.4 | 147.3 | 175.6 | -9.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 212 | P | 41.8 | Very low | 33.2 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -141.5 | -169.4 | 83.9 | 41.3 | -24.5 | 0 | 0 | 0 | 111.4 | |||||
| 213 | A | 29.7 | Very low | 33.4 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | cis | -141 | -178.2 | 5.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 214 | Q | 29.5 | Very low | 33.2 | Very low | 169 Ų | 169 | 122.2 Ų | 122.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -113.3 | 157.2 | -172.5 | -64.7 | -170.7 | -2.2 | 0 | 0 | 115.1 | ||||
| 215 | T | 30 | Very low | 33.2 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | 68.9 | 160.4 | 147.6 | 39 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 216 | P | 38.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | cis | -114.2 | 173.8 | 10.9 | 41.3 | -31.2 | 0 | 0 | 0 | 116.9 | ||||
| 217 | S | 32.8 | Very low | 32.1 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -72.9 | 139.1 | 176.2 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 218 | G | 28.6 | Very low | 32.1 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -144.2 | 88.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q220 | G218-Q220 PolarHBondContact O-N 2.93Š| ||
| 219 | S | 37.4 | Very low | 31.3 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -85.3 | 101.5 | 179.9 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 220 | Q | 31.9 | Very low | 31.4 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -132.7 | 116.9 | 163.6 | -66.4 | -166.5 | 35.9 | 0 | 0 | 110.4 | G218 A222 | G218-Q220 PolarHBondContact O-N 2.93Å; Q220-A222 PolarHBondContact O-N 3.23Å | ||
| 221 | S | 29.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -78.7 | 109.8 | 174.7 | 52.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 222 | A | 31.6 | Very low | 30.8 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | -59.3 | 136.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q220 | Q220-A222 PolarHBondContact O-N 3.23Š| ||
| 223 | P | 34.7 | Very low | 30.1 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | -64.1 | 143.1 | 176.8 | 27.7 | -34.4 | 0 | 0 | 0 | 109.9 | C225 | P223-C225 PolarHBondContact O-N 3.01Å; P223-C225 VanDerWaalsContact O-N 3.09Å | ||
| 224 | P | 31.5 | Very low | 30.1 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 57% | 0.571 | 80% | 0.799 | S | S | * | * | trans | -63.9 | 116 | 177.6 | 26 | -33.3 | 0 | 0 | 0 | 109.9 | Y226 | P224-Y226 VanDerWaalsContact C-N 3.3Å; P224-Y226 HydrophobicContact CG-CE2 4.12Å; P224-Y226 VanDerWaalsContact O-CD2 3.26Å; P224-Y226 WeakPolarHBondContact O-CD2 3.3Å; P224-Y226 PolarHBondContact O-N 2.81Å | ||
| 225 | C | 28.5 | Very low | 30.1 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -66.5 | 90 | 170.3 | -66.1 | 0 | 0 | 0 | 0 | 109.6 | P223 | P223-C225 PolarHBondContact O-N 3.01Å; P223-C225 VanDerWaalsContact O-N 3.09Å | ||
| 226 | Y | 30.2 | Very low | 30.1 | Very low | 192 Ų | 192 | 142.9 Ų | 142.9 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56 | 128.4 | 174.2 | -62.9 | -81.8 | 0 | 0 | 0 | 110 | P224 R228 | P224-Y226 VanDerWaalsContact C-N 3.3Å; P224-Y226 HydrophobicContact CG-CE2 4.12Å; P224-Y226 VanDerWaalsContact O-CD2 3.26Å; P224-Y226 WeakPolarHBondContact O-CD2 3.3Å; P224-Y226 PolarHBondContact O-N 2.81Å; Y226-R228 PolarHBondContact O-N 2.91Å |
| 227 | P | 29.6 | Very low | 29.7 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 121.9 | 174 | 26.3 | -32.8 | 0 | 0 | 0 | 109 | W229 | P227-W229 PolarHBondContact O-N 2.82Å; P227-W229 VanDerWaalsContact O-N 3.16Å |
| 228 | R | 28.5 | Very low | 29.6 | Very low | 243 Ų | 243 | 145.7 Ų | 145.7 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 118 | 169 | -82.6 | -174.2 | 169.4 | -166.5 | -2.3 | 108.6 | Y226 | Y226-R228 PolarHBondContact O-N 2.91Š|
| 229 | W | 25.4 | Very low | 29.6 | Very low | 240 Ų | 240 | 145.5 Ų | 145.5 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 137.6 | 161.7 | -58.2 | 88.4 | 0 | 0 | 0 | 109.6 | P227 | P227-W229 PolarHBondContact O-N 2.82Å; P227-W229 VanDerWaalsContact O-N 3.16Å |
| 230 | W | 30.9 | Very low | 29.3 | Very low | 218 Ų | 218 | 144.7 Ų | 144.7 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -153.2 | 179.8 | 166 | -133.2 | -148 | 0 | 0 | 0 | 115.2 | ||||
| 231 | R | 22.6 | Very low | 29.1 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | trans | -86 | 157.8 | -137.1 | -69.1 | 169.7 | 172.2 | -141.3 | -5.6 | 115.4 | ||||
| 232 | P | 22.6 | Very low | 29.1 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -57.5 | 137.5 | 156.6 | -16.9 | 30.5 | 0 | 0 | 0 | 110.5 | ||||
| 233 | M | 28.1 | Very low | 29.2 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -94.3 | 106.1 | 170.7 | -76.2 | -70.8 | -72.9 | 0 | 0 | 109.4 | ||||
| 234 | A | 29.4 | Very low | 28.8 | Very low | 92 Ų | 92 | 152 Ų | 152 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -85.1 | 120.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | E236 | A234-E236 PolarHBondContact O-N 3.06Å; A234-E236 VanDerWaalsContact O-N 3.15Å | ||
| 235 | G | 29.3 | Very low | 28.5 | Very low | 85 Ų | 85 | 158.2 Ų | 158.2 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | trans | -83.1 | 80.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G237 | G235-G237 PolarHBondContact O-N 3.21Å; G235-G237 VanDerWaalsContact O-N 3.14Å | ||
| 236 | E | 30.9 | Very low | 28.6 | Very low | 154 Ų | 154 | 159.7 Ų | 159.7 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | -72.4 | 98.8 | 169 | -79.4 | -162.1 | 109.7 | 0 | 0 | 111.7 | A234 R238 | A234-E236 PolarHBondContact O-N 3.06Å; A234-E236 VanDerWaalsContact O-N 3.15Å; E236-R238 PolarHBondContact O-N 2.98Å; E236-R238 IonicContact OE2-NH2 3.62Å | ||
| 237 | G | 28.6 | Very low | 28.3 | Very low | 80 Ų | 80 | 159.9 Ų | 159.9 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -75.8 | 98.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G235 G239 | G235-G237 PolarHBondContact O-N 3.21Å; G235-G237 VanDerWaalsContact O-N 3.14Å; G237-G239 PolarHBondContact O-N 3.11Å; G237-G239 VanDerWaalsContact O-N 3.07Å | ||
| 238 | R | 31.5 | Very low | 28.2 | Very low | 225 Ų | 225 | 159.9 Ų | 159.9 | 85% | 0.849 | 83% | 0.832 | S | S | * | * | trans | -73.3 | 95.1 | 173.2 | -61.3 | -175.3 | -156.7 | -87.1 | -12.1 | 111.2 | E236 | E236-R238 PolarHBondContact O-N 2.98Å; E236-R238 IonicContact OE2-NH2 3.62Å | ||
| 239 | G | 28.9 | Very low | 28.2 | Very low | 74 Ų | 74 | 154.3 Ų | 154.3 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | -108.6 | 114.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G237 | G237-G239 PolarHBondContact O-N 3.11Å; G237-G239 VanDerWaalsContact O-N 3.07Å | ||
| 240 | A | 30.2 | Very low | 28.4 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -88.2 | 117.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 241 | R | 28.7 | Very low | 28.2 | Very low | 250 Ų | 250 | 147.2 Ų | 147.2 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -140.2 | 147.3 | 158 | -77.5 | -164.4 | 171 | -149.1 | -3.1 | 110.6 | ||||
| 242 | K | 29.5 | Very low | 28.5 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -88.5 | 164.1 | 174 | -103.3 | -169.1 | 175.1 | -175.2 | 0 | 110.9 | ||||
| 243 | P | 34.3 | Very low | 29.4 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -84.3 | 150 | -145.6 | 31.8 | -37.7 | 0 | 0 | 0 | 115.3 | ||||
| 244 | G | 25.1 | Very low | 29.9 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -139.7 | 118.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 245 | R | 26.7 | Very low | 30.8 | Very low | 220 Ų | 220 | 134.1 Ų | 134.1 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | 2.1 | 127.7 | 170.4 | -160.2 | 173.7 | -173.1 | -162.8 | 2.7 | 120.3 | ||||
| 246 | E | 28.8 | Very low | 32 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 18.4 | 109.4 | 152.7 | -58.6 | 164 | 98.7 | 0 | 0 | 119.5 | ||||
| 247 | E | 25 | Very low | 33.3 | Very low | 195 Ų | 195 | 127.7 Ų | 127.7 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | -140 | 143.8 | 124.1 | -109.9 | -170.5 | 116.5 | 0 | 0 | 109 | |||||
| 248 | S | 27.3 | Very low | 35.2 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 122.6 | -174.9 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | S250 | S248-S250 PolarHBondContact O-N 3.02Å; S248-S250 VanDerWaalsContact O-N 3.11Å |
| 249 | P | 28.6 | Very low | 36.4 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 116.4 | 174.4 | 26.9 | -32.7 | 0 | 0 | 0 | 109.6 | ||
| 250 | S | 28.6 | Very low | 37.2 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 158.3 | 170.7 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | S248 A252 | S248-S250 PolarHBondContact O-N 3.02Å; S248-S250 VanDerWaalsContact O-N 3.11Å; S250-A252 PolarHBondContact O-N 3.28Å |
| 251 | Q | 28.6 | Very low | 37.9 | Very low | 197 Ų | 197 | 121.2 Ų | 121.2 | 92% | 0.921 | 66% | 0.655 | S | S | * | * | trans | -54.2 | 109.1 | -167 | -63.2 | 173.4 | 8.8 | 0 | 0 | 112.2 | S253 | Q251-S253 PolarHBondContact O-N 3.25Š| ||
| 252 | A | 29 | Very low | 38.2 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -65.6 | 109.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S250 G254 | S250-A252 PolarHBondContact O-N 3.28Å; A252-G254 PolarHBondContact O-N 2.88Å | ||
| 253 | S | 39.6 | Very low | 38.2 | Very low | 91 Ų | 91 | 120.1 Ų | 120.1 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | trans | -63.6 | 117.8 | 175.4 | 44.9 | 0 | 0 | 0 | 0 | 109.9 | Q251 F255 | Q251-S253 PolarHBondContact O-N 3.25Å; S253-F255 VanDerWaalsContact C-N 3.29Å; S253-F255 PolarHBondContact O-N 3.14Å | ||
| 254 | G | 39.1 | Very low | 38.1 | Very low | 45 Ų | 45 | 122.2 Ų | 122.2 | 46% | 0.464 | 64% | 0.644 | S | S | . | * | trans | -70.1 | 80.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A118 A252 | A118-G254 VanDerWaalsContact CB-O 3.3Å; A118-G254 WeakPolarHBondContact CB-O 3.26Å; A118-G254 PolarHBondContact N-O 3.22Å; A252-G254 PolarHBondContact O-N 2.88Å | ||
| 255 | F | 48.7 | Very low | 38.3 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 33% | 0.329 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 134.2 | 179.4 | 171.7 | -91.5 | 0 | 0 | 0 | 111 | D74 F81 C115 S253 L257 | D74-F255 HydrophobicContact CB-CD2 4.33Å; D74-F255 HydrophobicContact CB-CE2 3.99Å; F81-F255 HydrophobicContact CD2-CZ 4.09Å; F81-F255 HydrophobicContact CE1-CE1 4.47Å; F81-F255 HydrophobicContact CE1-CZ 4.29Å; F81-F255 HydrophobicContact CE2-CE1 4.15Å; F81-F255 AromaticContact CE2-CE2 3.9Å; F81-F255 HydrophobicContact CE2-CE2 3.9Å; F81-F255 AromaticContact CE2-CZ 3.34Å; F81-F255 HydrophobicContact CE2-CZ 3.34Å; F81-F255 AromaticContact CZ-CE1 3.79Å; F81-F255 HydrophobicContact CZ-CE1 3.79Å; F81-F255 HydrophobicContact CZ-CE2 4.35Å; F81-F255 AromaticContact CZ-CZ 3.46Å; F81-F255 HydrophobicContact CZ-CZ 3.46Å; F81-F255 VanDerWaalsContact CZ-CZ 3.46Å; C115-F255 HydrophobicContact CB-CE2 4.21Å; C115-F255 VanDerWaalsContact SG-CE2 3.51Å; S253-F255 VanDerWaalsContact C-N 3.29Å; S253-F255 PolarHBondContact O-N 3.14Å; F255-L257 HydrophobicContact CE1-CB 3.72Å; F255-L257 HydrophobicContact CZ-CB 3.75Å; F255-L257 HydrophobicContact CZ-CD1 4.32Å |
| 256 | S | 54.8 | Low | 38.5 | Very low | 62 Ų | 62 | 127 Ų | 127 | 43% | 0.434 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -136.2 | 119 | 167.2 | -167.8 | 0 | 0 | 0 | 0 | 111 | S116 | S116-S256 PolarHBondContact N-O 3.07Å; S116-S256 PolarHBondContact O-N 2.82Å; S116-S256 WeakPolarHBondContact OG-CB 3.27Å; S116-S256 PolarHBondContact OG-O 3.03Å |
| 257 | L | 58.8 | Low | 38.6 | Very low | 41 Ų | 41 | 125.3 Ų | 125.3 | 22% | 0.215 | 65% | 0.65 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.2 | 119.9 | 173.5 | -175.5 | 69.7 | 0 | 0 | 0 | 109.3 | F81 I89 L113 F255 | F81-L257 HydrophobicContact CB-CD1 4.34Å; F81-L257 HydrophobicContact CB-CD2 4.35Å; F81-L257 HydrophobicContact CD1-CD2 3.62Å; F81-L257 HydrophobicContact CE1-CD2 4.08Å; F81-L257 HydrophobicContact CG-CD1 4.25Å; F81-L257 HydrophobicContact CG-CD2 4.04Å; I89-L257 HydrophobicContact CG2-CD2 4.18Å; L113-L257 HydrophobicContact CB-CD1 4.38Å; L113-L257 HydrophobicContact CD2-CD1 4.4Å; L113-L257 HydrophobicContact CD2-CD2 4.45Å; L113-L257 HydrophobicContact CD2-CG 4.47Å; F255-L257 HydrophobicContact CE1-CB 3.72Å; F255-L257 HydrophobicContact CZ-CB 3.75Å; F255-L257 HydrophobicContact CZ-CD1 4.32Å |
| 258 | V | 67.1 | Low | 39.1 | Very low | 57 Ų | 57 | 120 Ų | 120 | 35% | 0.345 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 119.6 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | E114 R260 | E114-V258 HydrophobicContact CB-CB 4.39Å; E114-V258 PolarHBondContact N-O 3.15Å; E114-V258 PolarHBondContact O-N 2.99Å; V258-R260 HydrophobicContact CG1-CG 4.08Å |
| 259 | A | 57.3 | Low | 39.7 | Very low | 34 Ų | 34 | 120.4 Ų | 120.4 | 28% | 0.281 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | I89 L113 | I89-A259 HydrophobicContact CD1-CB 3.59Å; L113-A259 HydrophobicContact CD2-CB 3.66Å |
| 260 | R | 45.1 | Very low | 39.9 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 53% | 0.525 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 144.1 | -178.5 | -50.2 | -173.7 | -171.8 | -145.1 | 10 | 110.9 | C112 E114 V258 | C112-R260 PolarHBondContact O-N 3.15Å; E114-R260 VanDerWaalsContact CD-NH2 3.31Å; E114-R260 IonicContact OE1-NH2 3.95Å; E114-R260 PolarHBondContact OE1-NH2 3.37Å; E114-R260 VanDerWaalsContact OE1-NH2 3.12Å; E114-R260 IonicContact OE2-CZ 2.93Å; E114-R260 IonicContact OE2-NE 3.13Å; E114-R260 PolarHBondContact OE2-NE 3.23Å; E114-R260 IonicContact OE2-NH2 3.12Å; E114-R260 PolarHBondContact OE2-NH2 3.11Å; V258-R260 HydrophobicContact CG1-CG 4.08Å |
| 261 | R | 45 | Very low | 40.5 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 45% | 0.449 | 63% | 0.632 | S | S | . | * | trans | -98.3 | 157.2 | 167.9 | -68.1 | -163.3 | -176.1 | -67.2 | -6 | 111.2 | H106 G108 S109 | H106-R261 PolarHBondContact ND1-NH2 3.16Å; G108-R261 VanDerWaalsContact C-NH1 3.34Å; G108-R261 PolarHBondContact O-NH1 3.22Å; S109-R261 PolarHBondContact O-NH1 3.02Å | ||
| 262 | R | 35.2 | Very low | 41 | Very low | 209 Ų | 209 | 120 Ų | 120 | 79% | 0.789 | 63% | 0.628 | S | S | * | * | trans | -77.9 | 135 | 149.2 | -172.1 | 175.2 | -167.2 | 159.7 | 4.9 | 108.1 | I111 E264 | I111-R262 HydrophobicContact CD1-CB 3.74Å; R262-E264 PolarHBondContact O-N 2.86Å | ||
| 263 | W | 29.8 | Very low | 41.3 | Very low | 222 Ų | 222 | 120.3 Ų | 120.3 | 84% | 0.841 | 62% | 0.622 | S | S | * | * | trans | -69.4 | 115.4 | 175.7 | -168.6 | -75.7 | 0 | 0 | 0 | 110 | ||||
| 264 | E | 32.7 | Very low | 41.5 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | trans | -85 | 142 | 162.9 | -72.6 | -176.5 | 156.8 | 0 | 0 | 108.9 | R262 E266 | R262-E264 PolarHBondContact O-N 2.86Å; E264-E266 PolarHBondContact O-N 3.19Å | ||
| 265 | R | 29.2 | Very low | 41.3 | Very low | 228 Ų | 228 | 129.1 Ų | 129.1 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | trans | -78.7 | 91.9 | -179 | -78.3 | -169.5 | -80.5 | -167.4 | -3.8 | 109.8 | C267 | R265-C267 PolarHBondContact O-N 3.38Š| ||
| 266 | E | 30 | Very low | 41.2 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | trans | -60.9 | 99.7 | 156.5 | -72.6 | -177.4 | 136.3 | 0 | 0 | 108.5 | E264 S268 | E264-E266 PolarHBondContact O-N 3.19Å; E266-S268 PolarHBondContact O-N 3.39Å; E266-S268 VanDerWaalsContact O-N 3.15Å | ||
| 267 | C | 31 | Very low | 40.7 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 85% | 0.845 | 71% | 0.708 | S | S | * | * | trans | -70.6 | 99.3 | 159.6 | -74.4 | 0 | 0 | 0 | 0 | 107 | R265 | R265-C267 PolarHBondContact O-N 3.38Š| ||
| 268 | S | 35.8 | Very low | 39.8 | Very low | 83 Ų | 83 | 146.8 Ų | 146.8 | 58% | 0.58 | 73% | 0.733 | S | S | * | * | trans | -56.8 | 144.5 | -168.3 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | E266 W270 | E266-S268 PolarHBondContact O-N 3.39Å; E266-S268 VanDerWaalsContact O-N 3.15Å; S268-W270 PolarHBondContact O-N 3.09Å | ||
| 269 | P | 39.7 | Very low | 38.4 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -79.6 | 88.5 | -175.6 | 32.9 | -36 | 0 | 0 | 0 | 111.8 | ||||
| 270 | W | 33.3 | Very low | 37.3 | Very low | 234 Ų | 234 | 158.1 Ų | 158.1 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | trans | -129.2 | 112.5 | 169.7 | -65.6 | 94.4 | 0 | 0 | 0 | 110.1 | S268 | S268-W270 PolarHBondContact O-N 3.09Š| ||
| 271 | G | 41.5 | Very low | 36.9 | Very low | 63 Ų | 63 | 159.2 Ų | 159.2 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 170.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 272 | P | 37.8 | Very low | 36.3 | Very low | 128 Ų | 128 | 161.7 Ų | 161.7 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.4 | 179.4 | 26.5 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 273 | P | 36.7 | Very low | 36.4 | Very low | 107 Ų | 107 | 158.5 Ų | 158.5 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 152.9 | 178.8 | 30.5 | -35.5 | 0 | 0 | 0 | 111.6 | ||
| 274 | P | 42.3 | Very low | 36.9 | Very low | 124 Ų | 124 | 154 Ų | 154 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 140.8 | 174.1 | 30.5 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 275 | F | 35 | Very low | 37.2 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 133.3 | 170.5 | -63.4 | -90.7 | 0 | 0 | 0 | 110.6 | ||
| 276 | P | 48 | Very low | 37.9 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 153.4 | 153.1 | 33.8 | -31.3 | 0 | 0 | 0 | 110.4 | ||
| 277 | F | 43.6 | Very low | 38.6 | Very low | 285 Ų | 285 | 144.5 Ų | 144.5 | 100% | 1.25 | 82% | 0.817 | S | S | * | * | trans | -85.1 | 0 | 160.2 | -82.1 | -94.6 | 0 | 0 | 0 | 110 |
Retrieved 277 of 277 residues in 35.3 ms
(Link to these results)