| 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 | 40.1 | Very low | 78.7 | Confident | 245 Ų | 245 | 78.8 Ų | 78.8 | 100% | 1.207 | 46% | 0.46 | S | S | * | . | 0 | 140.5 | 0 | -64.7 | 149.1 | -177.3 | 0 | 0 | 107.1 | |||||
| 2 | A | 49.2 | Very low | 80.2 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 63% | 0.628 | 42% | 0.421 | S | S | * | . | trans | -78.1 | 131.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3 | G | 61.3 | Low | 81.5 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | trans | -77 | 143 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | W5 | G3-W5 PolarHBondContact O-N 2.8Š| ||
| 4 | D | 77.9 | Confident | 82.5 | Confident | 138 Ų | 138 | 66.1 Ų | 66.1 | 74% | 0.738 | 38% | 0.379 | S | S | * | . | trans | -77.6 | 63.5 | 172.8 | -66.1 | -60.4 | 0 | 0 | 0 | 110.9 | K6 | D4-K6 VanDerWaalsContact O-CG 3.31Å; D4-K6 WeakPolarHBondContact O-CG 3.31Å; D4-K6 PolarHBondContact O-NZ 2.86Å | ||
| 5 | W | 86.4 | Confident | 83.3 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | trans | -48.5 | 134 | 178.6 | -65.7 | 121.5 | 0 | 0 | 0 | 112.9 | G3 D9 I11 I25 Y40 I58 P60 | G3-W5 PolarHBondContact O-N 2.8Å; W5-D9 WeakPolarHBondContact CA-OD2 3.44Å; W5-D9 HydrophobicContact CE3-CB 4.44Å; W5-I11 HydrophobicContact CE3-CG2 4.07Å; W5-I11 HydrophobicContact CH2-CG2 4.15Å; W5-I11 HydrophobicContact CZ3-CG2 3.59Å; W5-I25 HydrophobicContact CB-CD1 3.55Å; W5-I25 HydrophobicContact CD2-CD1 3.9Å; W5-I25 HydrophobicContact CE3-CD1 3.78Å; W5-I25 HydrophobicContact CG-CD1 3.83Å; W5-Y40 HydrophobicContact CB-CD1 3.91Å; W5-Y40 HydrophobicContact CB-CE1 3.56Å; W5-Y40 HydrophobicContact CB-CE2 4.37Å; W5-Y40 HydrophobicContact CB-CG 4.46Å; W5-Y40 AromaticContact CD1-CE2 3.61Å; W5-Y40 AromaticContact CD1-CZ 3.67Å; W5-Y40 HydrophobicContact CG-CE1 4.35Å; W5-Y40 HydrophobicContact CG-CE2 4.32Å; W5-I58 HydrophobicContact CD2-CG2 3.96Å; W5-I58 HydrophobicContact CE3-CG2 4.17Å; W5-I58 HydrophobicContact CH2-CG2 3.66Å; W5-I58 HydrophobicContact CZ2-CB 4.04Å; W5-I58 HydrophobicContact CZ2-CG2 3.42Å; W5-I58 VanDerWaalsContact CZ2-CG2 3.42Å; W5-I58 HydrophobicContact CZ3-CG2 4.03Å; W5-P60 HydrophobicContact CH2-CB 4.37Å; W5-P60 HydrophobicContact CH2-CG 3.77Å; W5-P60 HydrophobicContact CZ3-CG 4.43Å | ||
| 6 | K | 88.3 | Confident | 83.9 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 53% | 0.526 | 41% | 0.41 | S | S | . | . | trans | -122.6 | 152.2 | -177.3 | -46.7 | -164.7 | -166.1 | -44.4 | 0 | 110.8 | D4 D9 I25 | D4-K6 VanDerWaalsContact O-CG 3.31Å; D4-K6 WeakPolarHBondContact O-CG 3.31Å; D4-K6 PolarHBondContact O-NZ 2.86Å; K6-D9 PolarHBondContact N-OD2 2.77Å; K6-D9 VanDerWaalsContact O-CB 3.25Å; K6-D9 WeakPolarHBondContact O-CB 3.08Å; K6-D9 PolarHBondContact O-N 2.78Å; K6-D9 VanDerWaalsContact O-N 3.11Å; K6-I25 WeakPolarHBondContact O-CB 3.4Å | ||
| 7 | P | 89.4 | Confident | 84.5 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 47% | 0.468 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 140.9 | 165.5 | -23.3 | 34.6 | 0 | 0 | 0 | 111.3 | D9 E27 | P7-D9 VanDerWaalsContact C-N 3.31Å; P7-E27 HydrophobicContact CB-CB 4.36Å; P7-E27 HydrophobicContact CB-CG 3.41Å; P7-E27 VanDerWaalsContact CB-CG 3.41Å; P7-E27 HydrophobicContact CG-CG 3.9Å |
| 8 | G | 89.9 | Confident | 85 | Confident | 48 Ų | 48 | 76.6 Ų | 76.6 | 50% | 0.495 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -13.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L10 I25 | G8-L10 PolarHBondContact O-N 2.91Å; G8-I25 PolarHBondContact N-O 3.45Å |
| 9 | D | 93.3 | Very high | 85.6 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | trans | -61 | 127.9 | 178.4 | -81.3 | -15.6 | 0 | 0 | 0 | 111.3 | W5 K6 P7 R24 I25 | W5-D9 WeakPolarHBondContact CA-OD2 3.44Å; W5-D9 HydrophobicContact CE3-CB 4.44Å; K6-D9 PolarHBondContact N-OD2 2.77Å; K6-D9 VanDerWaalsContact O-CB 3.25Å; K6-D9 WeakPolarHBondContact O-CB 3.08Å; K6-D9 PolarHBondContact O-N 2.78Å; K6-D9 VanDerWaalsContact O-N 3.11Å; P7-D9 VanDerWaalsContact C-N 3.31Å; D9-R24 CarbonylContact O-C 3.52Å; D9-R24 VanDerWaalsContact O-CA 3.27Å; D9-R24 WeakPolarHBondContact O-CA 3.49Å; D9-I25 HydrophobicContact CB-CB 4.45Å; D9-I25 HydrophobicContact CB-CD1 4.1Å; D9-I25 HydrophobicContact CB-CG1 4.23Å; D9-I25 PolarHBondContact O-N 2.78Å | ||
| 10 | L | 94.6 | Very high | 86.2 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 19% | 0.194 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.1 | 175.8 | -57.4 | -173 | 0 | 0 | 0 | 110.6 | G8 R24 F45 Y61 I84 P88 | G8-L10 PolarHBondContact O-N 2.91Å; L10-R24 HydrophobicContact CD2-CB 3.99Å; L10-F45 HydrophobicContact CD2-CE2 4.13Å; L10-F45 HydrophobicContact CD2-CZ 4.08Å; L10-Y61 VanDerWaalsContact C-CB 3.4Å; L10-Y61 HydrophobicContact CB-CD1 4.42Å; L10-Y61 HydrophobicContact CB-CG 4.3Å; L10-Y61 WeakPolarHBondContact O-CB 3.22Å; L10-Y61 PolarHBondContact O-N 3.41Å; L10-I84 HydrophobicContact CB-CD1 4.3Å; L10-I84 HydrophobicContact CB-CG1 4.36Å; L10-I84 HydrophobicContact CD1-CG1 4.13Å; L10-I84 HydrophobicContact CD2-CG1 4.21Å; L10-I84 HydrophobicContact CG-CG1 4.46Å; L10-P88 HydrophobicContact CD1-CB 4.07Å; L10-P88 HydrophobicContact CD2-CB 3.87Å |
| 11 | I | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 164.5 | -170.4 | 58.7 | 159.2 | 0 | 0 | 0 | 112.4 | W5 A13 A23 I25 I42 I58 F59 | W5-I11 HydrophobicContact CE3-CG2 4.07Å; W5-I11 HydrophobicContact CH2-CG2 4.15Å; W5-I11 HydrophobicContact CZ3-CG2 3.59Å; I11-A13 HydrophobicContact CD1-CB 4.23Å; I11-A23 HydrophobicContact CD1-CB 4.11Å; I11-A23 HydrophobicContact CG1-CB 3.91Å; I11-A23 VanDerWaalsContact CG1-O 3.29Å; I11-A23 WeakPolarHBondContact CG1-O 3.14Å; I11-A23 PolarHBondContact N-O 3.28Å; I11-A23 PolarHBondContact O-N 3.28Å; I11-I25 HydrophobicContact CD1-CG1 3.97Å; I11-I25 HydrophobicContact CG1-CG1 4.38Å; I11-I25 HydrophobicContact CG2-CD1 4.22Å; I11-I25 HydrophobicContact CG2-CG1 4.16Å; I11-I42 HydrophobicContact CD1-CD1 3.63Å; I11-I42 HydrophobicContact CD1-CG1 4.32Å; I11-I42 HydrophobicContact CD1-CG2 4Å; I11-I58 HydrophobicContact CB-CG2 3.98Å; I11-I58 HydrophobicContact CD1-CG1 4.42Å; I11-I58 HydrophobicContact CD1-CG2 3.74Å; I11-I58 HydrophobicContact CG1-CG2 4.47Å; I11-I58 HydrophobicContact CG2-CG2 3.64Å; I11-F59 CarbonylContact C-O 3.57Å; I11-F59 VanDerWaalsContact CA-O 3.27Å; I11-F59 WeakPolarHBondContact CA-O 3.48Å; I11-F59 WeakPolarHBondContact CB-O 3.18Å |
| 12 | F | 96.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.2 | 152.6 | -76.7 | -77.5 | 0 | 0 | 0 | 109.6 | H20 W21 P22 F59 Y61 N64 Y68 A69 L81 | F12-H20 HydrophobicContact CB-CB 4.15Å; F12-H20 HydrophobicContact CD1-CB 4.23Å; F12-H20 HydrophobicContact CG-CB 4.45Å; F12-W21 CarbonylContact C-O 3.58Å; F12-W21 WeakPolarHBondContact CA-O 3.39Å; F12-P22 HydrophobicContact CE1-CB 4.36Å; F12-F59 HydrophobicContact CB-CB 4.3Å; F12-F59 PolarHBondContact N-O 2.91Å; F12-F59 PolarHBondContact O-N 3.45Å; F12-Y61 AromaticContact CD2-CD2 3.98Å; F12-Y61 HydrophobicContact CD2-CD2 3.98Å; F12-Y61 HydrophobicContact CE1-CD2 4.42Å; F12-Y61 AromaticContact CE2-CD2 3.33Å; F12-Y61 HydrophobicContact CE2-CD2 3.33Å; F12-Y61 AromaticContact CE2-CE2 3.81Å; F12-Y61 HydrophobicContact CE2-CE2 3.81Å; F12-Y61 HydrophobicContact CE2-CG 4.18Å; F12-Y61 AromaticContact CZ-CD2 3.59Å; F12-Y61 HydrophobicContact CZ-CD2 3.59Å; F12-Y61 AromaticContact CZ-CE2 3.65Å; F12-Y61 HydrophobicContact CZ-CE2 3.65Å; F12-N64 HydrophobicContact CD2-CB 3.9Å; F12-N64 HydrophobicContact CE2-CB 4.4Å; F12-Y68 HydrophobicContact CB-CD2 3.99Å; F12-Y68 HydrophobicContact CD1-CD2 4.48Å; F12-Y68 HydrophobicContact CD2-CD2 4.05Å; F12-Y68 AromaticContact CG-CD2 3.91Å; F12-Y68 HydrophobicContact CG-CD2 3.91Å; F12-Y68 HydrophobicContact CG-CG 4.46Å; F12-A69 HydrophobicContact CZ-CB 4.09Å; F12-L81 HydrophobicContact CE1-CD2 4.12Å; F12-L81 HydrophobicContact CZ-CD2 4.37Å |
| 13 | A | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | I11 W21 A23 I42 F44 L53 D57 | I11-A13 HydrophobicContact CD1-CB 4.23Å; A13-W21 PolarHBondContact N-O 3.44Å; A13-W21 PolarHBondContact O-N 3.43Å; A13-A23 HydrophobicContact CB-CB 3.73Å; A13-I42 HydrophobicContact CB-CG2 3.87Å; A13-F44 HydrophobicContact CB-CD1 4.25Å; A13-F44 HydrophobicContact CB-CE1 3.46Å; A13-F44 VanDerWaalsContact CB-CE1 3.46Å; A13-F44 HydrophobicContact CB-CZ 3.9Å; A13-L53 HydrophobicContact CB-CD1 3.74Å; A13-D57 CarbonylContact C-O 3.5Å; A13-D57 WeakPolarHBondContact CA-O 3.31Å |
| 14 | K | 96.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 103.1 | -174.5 | -175.5 | 66.1 | -173.7 | 86.1 | 0 | 112.7 | Y18 D57 F59 | K14-Y18 PolarHBondContact NZ-O 2.93Å; K14-D57 HydrophobicContact CB-CB 4.39Å; K14-D57 PolarHBondContact N-O 3.12Å; K14-D57 WeakPolarHBondContact O-CB 3.37Å; K14-F59 HydrophobicContact CB-CD2 4.45Å; K14-F59 HydrophobicContact CB-CE2 3.86Å |
| 15 | M | 94 | Very high | 94 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | trans | -98.1 | 157.1 | 173.3 | -63.8 | -177.1 | 81.2 | 0 | 0 | 113 | G17 Y18 F44 A51 L53 | M15-G17 PolarHBondContact O-N 3.18Å; M15-Y18 HydrophobicContact CB-CD2 4.09Å; M15-Y18 HydrophobicContact CB-CG 4.42Å; M15-Y18 PolarHBondContact O-N 2.96Å; M15-F44 HydrophobicContact CG-CE1 4.29Å; M15-F44 HydrophobicContact CG-CZ 4Å; M15-F44 HydrophobicContact SD-CE1 3.93Å; M15-F44 HydrophobicContact SD-CE2 4.08Å; M15-F44 HydrophobicContact SD-CZ 3.45Å; M15-F44 WeakPolarHBondContact SD-CZ 3.34Å; M15-A51 HydrophobicContact CE-CB 4.47Å; M15-L53 HydrophobicContact CG-CD1 4.39Å; M15-L53 HydrophobicContact CG-CD2 4.22Å | ||
| 16 | K | 93.6 | Very high | 94.2 | Very high | 207 Ų | 207 | 47.1 Ų | 47.1 | 90% | 0.9 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 125.6 | 176.6 | -175.8 | 175.3 | -179.5 | 177 | 0 | 110.2 | Y18 | K16-Y18 VanDerWaalsContact C-N 3.3Å; K16-Y18 WeakPolarHBondContact O-CD2 3.48Å; K16-Y18 PolarHBondContact O-N 2.9Å |
| 17 | G | 93.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 3.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | M15 R74 | M15-G17 PolarHBondContact O-N 3.18Å; G17-R74 VanDerWaalsContact O-CZ 3.28Å; G17-R74 PolarHBondContact O-NH1 3.27Å; G17-R74 PolarHBondContact O-NH2 2.99Å |
| 18 | Y | 94.3 | Very high | 93.1 | Very high | 118 Ų | 118 | 49 Ų | 49 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -115 | 158.5 | 176.5 | -72.3 | -94.1 | 0 | 0 | 0 | 111.6 | K14 M15 K16 W21 | K14-Y18 PolarHBondContact NZ-O 2.93Å; M15-Y18 HydrophobicContact CB-CD2 4.09Å; M15-Y18 HydrophobicContact CB-CG 4.42Å; M15-Y18 PolarHBondContact O-N 2.96Å; K16-Y18 VanDerWaalsContact C-N 3.3Å; K16-Y18 WeakPolarHBondContact O-CD2 3.48Å; K16-Y18 PolarHBondContact O-N 2.9Å; Y18-W21 HydrophobicContact CD1-CE3 4.13Å; Y18-W21 AromaticContact CD1-CZ3 3.96Å; Y18-W21 HydrophobicContact CD1-CZ3 3.96Å |
| 19 | P | 95.4 | Very high | 91.9 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 20% | 0.195 | 27% | 0.266 | C | S | . | . | trans | -63 | 178.9 | 165.9 | 30.8 | -37.4 | 0 | 0 | 0 | 111.4 | W21 F77 | P19-W21 HydrophobicContact CG-CE3 3.79Å; P19-W21 HydrophobicContact CG-CZ3 4.09Å; P19-W21 PolarHBondContact O-N 3.14Å; P19-F77 HydrophobicContact CB-CE2 3.9Å; P19-F77 HydrophobicContact CB-CZ 4.47Å; P19-F77 HydrophobicContact CG-CD2 3.7Å; P19-F77 HydrophobicContact CG-CE2 3.49Å; P19-F77 VanDerWaalsContact CG-CE2 3.49Å; P19-F77 HydrophobicContact CG-CZ 4.44Å | ||
| 20 | H | 97.1 | Very high | 89.9 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 17% | 0.167 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 111.8 | 161.1 | -68.5 | 94.4 | 0 | 0 | 0 | 107.4 | F12 F59 Y68 F77 | F12-H20 HydrophobicContact CB-CB 4.15Å; F12-H20 HydrophobicContact CD1-CB 4.23Å; F12-H20 HydrophobicContact CG-CB 4.45Å; H20-F59 AromaticContact CD2-CD2 3.77Å; H20-F59 AromaticContact CD2-CE2 3.85Å; H20-F59 AromaticContact NE2-CE2 3.78Å; H20-Y68 HydrophobicContact CB-CD1 4.06Å; H20-Y68 HydrophobicContact CB-CD2 3.52Å; H20-Y68 HydrophobicContact CB-CE2 4.05Å; H20-Y68 HydrophobicContact CB-CG 3.55Å; H20-Y68 AromaticContact CD2-CD2 3.76Å; H20-Y68 AromaticContact CD2-CE2 3.34Å; H20-Y68 WeakPolarHBondContact CD2-CE2 3.3Å; H20-Y68 AromaticContact CD2-CZ 3.67Å; H20-Y68 AromaticContact CE1-CE1 3.48Å; H20-Y68 VanDerWaalsContact CE1-CE1 3.48Å; H20-Y68 WeakPolarHBondContact CE1-CE1 3.45Å; H20-Y68 AromaticContact CE1-CE2 3.81Å; H20-Y68 AromaticContact CE1-CZ 3.27Å; H20-Y68 PolarHBondContact CE1-OH 3.4Å; H20-Y68 AromaticContact CG-CD1 3.87Å; H20-Y68 AromaticContact CG-CD2 3.5Å; H20-Y68 AromaticContact CG-CE1 3.87Å; H20-Y68 AromaticContact CG-CE2 3.48Å; H20-Y68 VanDerWaalsContact CG-CE2 3.48Å; H20-Y68 AromaticContact CG-CG 3.73Å; H20-Y68 AromaticContact CG-CZ 3.69Å; H20-Y68 AromaticContact ND1-CD1 3.55Å; H20-Y68 AromaticContact ND1-CD2 3.99Å; H20-Y68 AromaticContact ND1-CE1 3.31Å; H20-Y68 VanDerWaalsContact ND1-CE1 3.31Å; H20-Y68 WeakPolarHBondContact ND1-CE1 3.46Å; H20-Y68 AromaticContact ND1-CE2 3.77Å; H20-Y68 AromaticContact ND1-CG 3.93Å; H20-Y68 AromaticContact ND1-CZ 3.43Å; H20-Y68 AromaticContact NE2-CE2 3.59Å; H20-Y68 AromaticContact NE2-CZ 3.43Å; H20-Y68 PolarHBondContact NE2-OH 3.07Å; H20-F77 VanDerWaalsContact O-CE2 3.3Å; H20-F77 WeakPolarHBondContact O-CE2 3.21Å |
| 21 | W | 97.4 | Very high | 88 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136 | -170.2 | -155.8 | -78.7 | 0 | 0 | 0 | 111.1 | F12 A13 Y18 P19 A23 F44 F45 T47 R74 K75 F77 | F12-W21 CarbonylContact C-O 3.58Å; F12-W21 WeakPolarHBondContact CA-O 3.39Å; A13-W21 PolarHBondContact N-O 3.44Å; A13-W21 PolarHBondContact O-N 3.43Å; Y18-W21 HydrophobicContact CD1-CE3 4.13Å; Y18-W21 AromaticContact CD1-CZ3 3.96Å; Y18-W21 HydrophobicContact CD1-CZ3 3.96Å; P19-W21 HydrophobicContact CG-CE3 3.79Å; P19-W21 HydrophobicContact CG-CZ3 4.09Å; P19-W21 PolarHBondContact O-N 3.14Å; W21-A23 PolarHBondContact O-N 3.43Å; W21-F44 HydrophobicContact CB-CD1 3.9Å; W21-F44 HydrophobicContact CB-CE1 4.18Å; W21-F44 AromaticContact CD1-CD1 3.71Å; W21-F44 AromaticContact CG-CD1 3.88Å; W21-F44 HydrophobicContact CG-CD1 3.88Å; W21-F45 PolarHBondContact NE1-O 3.43Å; W21-T47 HydrophobicContact CH2-CG2 4.46Å; W21-T47 HydrophobicContact CZ2-CG2 3.77Å; W21-R74 HydrophobicContact CH2-CB 4.13Å; W21-R74 HydrophobicContact CZ3-CB 4.22Å; W21-K75 WeakPolarHBondContact CH2-O 3.39Å; W21-F77 AromaticContact CD2-CD2 3.76Å; W21-F77 HydrophobicContact CD2-CD2 3.76Å; W21-F77 HydrophobicContact CD2-CE2 4.34Å; W21-F77 AromaticContact CE3-CD2 3.62Å; W21-F77 HydrophobicContact CE3-CD2 3.62Å; W21-F77 HydrophobicContact CE3-CE2 4.25Å; W21-F77 HydrophobicContact CG-CD2 4.38Å; W21-F77 HydrophobicContact CH2-CB 3.8Å; W21-F77 HydrophobicContact CH2-CD2 4.11Å; W21-F77 HydrophobicContact CH2-CG 4.49Å; W21-F77 HydrophobicContact CZ2-CB 3.95Å; W21-F77 HydrophobicContact CZ2-CD2 4.25Å; W21-F77 HydrophobicContact CZ3-CB 4.25Å; W21-F77 AromaticContact CZ3-CD2 3.8Å; W21-F77 HydrophobicContact CZ3-CD2 3.8Å |
| 22 | P | 96.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 123.7 | 174.5 | 26.1 | -34.3 | 0 | 0 | 0 | 110.5 | F12 F45 L81 I84 | F12-P22 HydrophobicContact CE1-CB 4.36Å; P22-F45 PolarHBondContact O-N 2.84Å; P22-L81 HydrophobicContact CB-CD2 4.07Å; P22-L81 HydrophobicContact CG-CD2 3.9Å; P22-L81 HydrophobicContact CG-CG 4.24Å; P22-I84 HydrophobicContact CB-CB 4.13Å; P22-I84 HydrophobicContact CB-CD1 3.81Å; P22-I84 HydrophobicContact CB-CG2 3.87Å |
| 23 | A | 96.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 167 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I11 A13 W21 I42 F43 F44 I84 | I11-A23 HydrophobicContact CD1-CB 4.11Å; I11-A23 HydrophobicContact CG1-CB 3.91Å; I11-A23 VanDerWaalsContact CG1-O 3.29Å; I11-A23 WeakPolarHBondContact CG1-O 3.14Å; I11-A23 PolarHBondContact N-O 3.28Å; I11-A23 PolarHBondContact O-N 3.28Å; A13-A23 HydrophobicContact CB-CB 3.73Å; W21-A23 PolarHBondContact O-N 3.43Å; A23-I42 HydrophobicContact CB-CG2 3.59Å; A23-F43 CarbonylContact C-O 3.5Å; A23-F43 WeakPolarHBondContact CA-O 3.49Å; A23-F43 WeakPolarHBondContact CB-O 3.1Å; A23-F44 HydrophobicContact CB-CD1 4.27Å; A23-I84 WeakPolarHBondContact O-CD1 3.35Å |
| 24 | R | 95.1 | Very high | 81.9 | Confident | 16 Ų | 16 | 77.1 Ų | 77.1 | 6% | 0.06 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 161.3 | 162.5 | 68.5 | 164.6 | -177.8 | -88.3 | -11.8 | 110.4 | D9 L10 D26 I42 F43 F45 P88 V90 | D9-R24 CarbonylContact O-C 3.52Å; D9-R24 VanDerWaalsContact O-CA 3.27Å; D9-R24 WeakPolarHBondContact O-CA 3.49Å; L10-R24 HydrophobicContact CD2-CB 3.99Å; R24-D26 IonicContact CZ-OD1 3.14Å; R24-D26 IonicContact NE-OD1 3.12Å; R24-D26 PolarHBondContact NE-OD1 3.32Å; R24-D26 VanDerWaalsContact NE-OD1 3.12Å; R24-D26 IonicContact NH2-OD1 2.66Å; R24-D26 PolarHBondContact NH2-OD1 2.89Å; R24-I42 WeakPolarHBondContact O-CA 3.47Å; R24-F43 HydrophobicContact CG-CB 3.94Å; R24-F43 HydrophobicContact CG-CD1 4.05Å; R24-F43 HydrophobicContact CG-CG 4.39Å; R24-F43 VanDerWaalsContact CZ-CD1 3.5Å; R24-F43 PolarHBondContact N-O 3.11Å; R24-F43 PolarHBondContact O-N 3.39Å; R24-F45 HydrophobicContact CB-CE2 3.9Å; R24-F45 HydrophobicContact CB-CZ 3.9Å; R24-F45 HydrophobicContact CG-CE2 4.33Å; R24-F45 HydrophobicContact CG-CZ 4.02Å; R24-P88 PolarHBondContact NH1-O 3.43Å; R24-V90 PolarHBondContact NH1-O 3.04Å; R24-V90 PolarHBondContact NH2-O 3.33Å |
| 25 | I | 93.6 | Very high | 79.6 | Confident | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.01 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131.5 | 163.9 | -55.2 | -171.6 | 0 | 0 | 0 | 107.8 | W5 K6 G8 D9 I11 Y40 P41 I42 I58 | W5-I25 HydrophobicContact CB-CD1 3.55Å; W5-I25 HydrophobicContact CD2-CD1 3.9Å; W5-I25 HydrophobicContact CE3-CD1 3.78Å; W5-I25 HydrophobicContact CG-CD1 3.83Å; K6-I25 WeakPolarHBondContact O-CB 3.4Å; G8-I25 PolarHBondContact N-O 3.45Å; D9-I25 HydrophobicContact CB-CB 4.45Å; D9-I25 HydrophobicContact CB-CD1 4.1Å; D9-I25 HydrophobicContact CB-CG1 4.23Å; D9-I25 PolarHBondContact O-N 2.78Å; I11-I25 HydrophobicContact CD1-CG1 3.97Å; I11-I25 HydrophobicContact CG1-CG1 4.38Å; I11-I25 HydrophobicContact CG2-CD1 4.22Å; I11-I25 HydrophobicContact CG2-CG1 4.16Å; I25-Y40 HydrophobicContact CG2-CD1 4.47Å; I25-P41 WeakPolarHBondContact CA-O 3.4Å; I25-I42 HydrophobicContact CB-CD1 4.47Å; I25-I42 HydrophobicContact CG1-CD1 3.84Å; I25-I58 HydrophobicContact CD1-CG2 4.47Å |
| 26 | D | 90.1 | Very high | 77.9 | Confident | 47 Ų | 47 | 81.5 Ų | 81.5 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 172.8 | 179.4 | -124.9 | 9.6 | 0 | 0 | 0 | 111 | R24 P41 | R24-D26 IonicContact CZ-OD1 3.14Å; R24-D26 IonicContact NE-OD1 3.12Å; R24-D26 PolarHBondContact NE-OD1 3.32Å; R24-D26 VanDerWaalsContact NE-OD1 3.12Å; R24-D26 IonicContact NH2-OD1 2.66Å; R24-D26 PolarHBondContact NH2-OD1 2.89Å; D26-P41 HydrophobicContact CB-CB 4.27Å; D26-P41 HydrophobicContact CB-CG 4.33Å; D26-P41 PolarHBondContact N-O 2.8Å; D26-P41 WeakPolarHBondContact O-CG 3.49Å |
| 27 | E | 83.1 | Confident | 76.1 | Confident | 152 Ų | 152 | 76.2 Ų | 76.2 | 71% | 0.71 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 137.1 | 169.5 | -71.8 | -176.7 | 174.2 | 0 | 0 | 110.5 | P7 P29 | P7-E27 HydrophobicContact CB-CB 4.36Å; P7-E27 HydrophobicContact CB-CG 3.41Å; P7-E27 VanDerWaalsContact CB-CG 3.41Å; P7-E27 HydrophobicContact CG-CG 3.9Å; E27-P29 WeakPolarHBondContact O-CD 3.18Å |
| 28 | V | 72.5 | Confident | 75.2 | Confident | 80 Ų | 80 | 79.4 Ų | 79.4 | 49% | 0.485 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 126.4 | 168.1 | 177.5 | 0 | 0 | 0 | 0 | 107 | D30 P41 | V28-D30 PolarHBondContact O-N 2.86Å; V28-D30 VanDerWaalsContact O-N 3.14Å; V28-P41 HydrophobicContact CG2-CG 3.72Å |
| 29 | P | 63.5 | Low | 74.8 | Confident | 94 Ų | 94 | 78.7 Ų | 78.7 | 61% | 0.61 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 120.7 | 178.9 | -27.5 | 35.7 | 0 | 0 | 0 | 111.6 | E27 A32 | E27-P29 WeakPolarHBondContact O-CD 3.18Å; P29-A32 WeakPolarHBondContact O-CB 3.25Å; P29-A32 PolarHBondContact O-N 2.96Å |
| 30 | D | 51.3 | Low | 74.5 | Confident | 175 Ų | 175 | 79.9 Ų | 79.9 | 94% | 0.936 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 141.1 | -177.2 | -166.6 | 20.2 | 0 | 0 | 0 | 111 | V28 | V28-D30 PolarHBondContact O-N 2.86Å; V28-D30 VanDerWaalsContact O-N 3.14Å |
| 31 | G | 54.6 | Low | 74.3 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 72% | 0.722 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | -10.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V33 | G31-V33 PolarHBondContact O-N 3.03Š|
| 32 | A | 52.4 | Low | 74.2 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 48% | 0.479 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -72.8 | 122.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P29 K34 | P29-A32 WeakPolarHBondContact O-CB 3.25Å; P29-A32 PolarHBondContact O-N 2.96Å; A32-K34 PolarHBondContact O-N 2.85Å |
| 33 | V | 53.5 | Low | 74.1 | Confident | 140 Ų | 140 | 78.2 Ų | 78.2 | 85% | 0.848 | 45% | 0.446 | S | S | * | . | trans | -55.2 | 108.2 | 179.2 | 178 | 0 | 0 | 0 | 0 | 110 | G31 P35 | G31-V33 PolarHBondContact O-N 3.03Å; V33-P35 WeakPolarHBondContact O-CD 3.29Å; V33-P35 WeakPolarHBondContact O-CG 3.27Å | ||
| 34 | K | 55.1 | Low | 74.1 | Confident | 194 Ų | 194 | 78.7 Ų | 78.7 | 84% | 0.843 | 45% | 0.448 | S | S | * | . | trans | -45.4 | 100.6 | -169.9 | -167 | 172.1 | -170.1 | 169.7 | 0 | 111.6 | A32 S36 | A32-K34 PolarHBondContact O-N 2.85Å; K34-S36 PolarHBondContact O-N 3.09Å | ||
| 35 | P | 48.3 | Very low | 74.1 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 58% | 0.578 | 45% | 0.445 | S | S | * | . | trans | -66.8 | 137.8 | -173 | -21.5 | 33.8 | 0 | 0 | 0 | 110.1 | V33 N37 | V33-P35 WeakPolarHBondContact O-CD 3.29Å; V33-P35 WeakPolarHBondContact O-CG 3.27Å; P35-N37 HydrophobicContact CB-CB 4.21Å; P35-N37 PolarHBondContact O-N 3.4Å | ||
| 36 | S | 57.3 | Low | 74.2 | Confident | 133 Ų | 133 | 78.3 Ų | 78.3 | 93% | 0.93 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -68.3 | 22.3 | 173.4 | -37.3 | 0 | 0 | 0 | 0 | 113.5 | K34 | K34-S36 PolarHBondContact O-N 3.09Š|
| 37 | N | 56.9 | Low | 74.3 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -108 | 117.9 | -172.7 | -138.5 | -60.4 | 0 | 0 | 0 | 107.7 | P35 K39 | P35-N37 HydrophobicContact CB-CB 4.21Å; P35-N37 PolarHBondContact O-N 3.4Å; N37-K39 PolarHBondContact O-N 2.86Å; N37-K39 WeakPolarHBondContact OD1-CD 3.38Å; N37-K39 WeakPolarHBondContact OD1-CE 3.41Å |
| 38 | I | 74.3 | Confident | 74.8 | Confident | 123 Ų | 123 | 74.4 Ų | 74.4 | 63% | 0.631 | 43% | 0.434 | S | S | * | . | trans | -76.1 | 71.5 | -176.2 | -45.4 | 172.5 | 0 | 0 | 0 | 109.1 | G54 P55 | I38-G54 WeakPolarHBondContact O-CA 3.45Å; I38-P55 HydrophobicContact CG2-CG 3.81Å; I38-P55 WeakPolarHBondContact O-CD 3.48Å | ||
| 39 | K | 86.4 | Confident | 75.8 | Confident | 104 Ų | 104 | 76.5 Ų | 76.5 | 45% | 0.452 | 44% | 0.438 | S | S | . | . | trans | -138.7 | 136.2 | -178 | -64.4 | -177.1 | -178.7 | 178.4 | 0 | 110.5 | N37 F52 L53 | N37-K39 PolarHBondContact O-N 2.86Å; N37-K39 WeakPolarHBondContact OD1-CD 3.38Å; N37-K39 WeakPolarHBondContact OD1-CE 3.41Å; K39-F52 HydrophobicContact CB-CB 4.25Å; K39-F52 HydrophobicContact CD-CB 4.3Å; K39-L53 CarbonylContact C-O 3Å; K39-L53 VanDerWaalsContact CA-O 3.22Å; K39-L53 WeakPolarHBondContact CA-O 3.42Å | ||
| 40 | Y | 89.5 | Confident | 77.1 | Confident | 54 Ų | 54 | 76 Ų | 76 | 21% | 0.212 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 140.6 | -178.8 | -57.9 | -89.8 | 0 | 0 | 0 | 109 | W5 I25 I42 F52 L53 P55 I58 | W5-Y40 HydrophobicContact CB-CD1 3.91Å; W5-Y40 HydrophobicContact CB-CE1 3.56Å; W5-Y40 HydrophobicContact CB-CE2 4.37Å; W5-Y40 HydrophobicContact CB-CG 4.46Å; W5-Y40 AromaticContact CD1-CE2 3.61Å; W5-Y40 AromaticContact CD1-CZ 3.67Å; W5-Y40 HydrophobicContact CG-CE1 4.35Å; W5-Y40 HydrophobicContact CG-CE2 4.32Å; I25-Y40 HydrophobicContact CG2-CD1 4.47Å; Y40-I42 PolarHBondContact O-N 3.21Å; Y40-F52 WeakPolarHBondContact O-CA 3.27Å; Y40-L53 PolarHBondContact N-O 3.35Å; Y40-L53 PolarHBondContact O-N 3.39Å; Y40-L53 VanDerWaalsContact O-N 3.09Å; Y40-P55 HydrophobicContact CE2-CB 4.07Å; Y40-P55 HydrophobicContact CE2-CG 4.22Å; Y40-I58 HydrophobicContact CD2-CD1 3.58Å; Y40-I58 HydrophobicContact CE2-CD1 4.46Å; Y40-I58 HydrophobicContact CG-CD1 4.11Å |
| 41 | P | 92.4 | Very high | 79.1 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.3 | 167.5 | 30.6 | -33.3 | 0 | 0 | 0 | 108.5 | I25 D26 V28 F52 | I25-P41 WeakPolarHBondContact CA-O 3.4Å; D26-P41 HydrophobicContact CB-CB 4.27Å; D26-P41 HydrophobicContact CB-CG 4.33Å; D26-P41 PolarHBondContact N-O 2.8Å; D26-P41 WeakPolarHBondContact O-CG 3.49Å; V28-P41 HydrophobicContact CG2-CG 3.72Å; P41-F52 HydrophobicContact CB-CD1 4.24Å; P41-F52 HydrophobicContact CB-CE1 3.79Å; P41-F52 HydrophobicContact CB-CZ 4.29Å; P41-F52 HydrophobicContact CG-CE1 4.46Å |
| 42 | I | 94.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.5 | -177.9 | -57.3 | -46.3 | 0 | 0 | 0 | 108.9 | I11 A13 A23 R24 I25 Y40 F44 T50 A51 L53 I58 | I11-I42 HydrophobicContact CD1-CD1 3.63Å; I11-I42 HydrophobicContact CD1-CG1 4.32Å; I11-I42 HydrophobicContact CD1-CG2 4Å; A13-I42 HydrophobicContact CB-CG2 3.87Å; A23-I42 HydrophobicContact CB-CG2 3.59Å; R24-I42 WeakPolarHBondContact O-CA 3.47Å; I25-I42 HydrophobicContact CB-CD1 4.47Å; I25-I42 HydrophobicContact CG1-CD1 3.84Å; Y40-I42 PolarHBondContact O-N 3.21Å; I42-F44 HydrophobicContact CB-CE2 4.16Å; I42-F44 HydrophobicContact CB-CZ 4.48Å; I42-F44 HydrophobicContact CG2-CD2 4.2Å; I42-F44 HydrophobicContact CG2-CE1 4.37Å; I42-F44 HydrophobicContact CG2-CE2 3.78Å; I42-F44 HydrophobicContact CG2-CZ 3.88Å; I42-T50 CarbonylContact O-C 3.56Å; I42-T50 WeakPolarHBondContact O-CA 3.34Å; I42-A51 WeakPolarHBondContact CB-O 3.49Å; I42-A51 PolarHBondContact N-O 3.05Å; I42-A51 PolarHBondContact O-N 2.96Å; I42-L53 HydrophobicContact CG1-CB 3.84Å; I42-L53 HydrophobicContact CG1-CD1 4.17Å; I42-L53 HydrophobicContact CG1-CG 3.95Å; I42-I58 HydrophobicContact CD1-CD1 3.93Å; I42-I58 HydrophobicContact CD1-CG1 4.38Å |
| 43 | F | 95 | Very high | 82.8 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.1 | 169.7 | 172.2 | -86.7 | 0 | 0 | 0 | 109.8 | A23 R24 F45 H48 T50 V90 L92 | A23-F43 CarbonylContact C-O 3.5Å; A23-F43 WeakPolarHBondContact CA-O 3.49Å; A23-F43 WeakPolarHBondContact CB-O 3.1Å; R24-F43 HydrophobicContact CG-CB 3.94Å; R24-F43 HydrophobicContact CG-CD1 4.05Å; R24-F43 HydrophobicContact CG-CG 4.39Å; R24-F43 VanDerWaalsContact CZ-CD1 3.5Å; R24-F43 PolarHBondContact N-O 3.11Å; R24-F43 PolarHBondContact O-N 3.39Å; F43-F45 HydrophobicContact CD1-CD1 4.26Å; F43-F45 HydrophobicContact CD1-CE1 4.33Å; F43-F45 AromaticContact CE1-CD1 3.76Å; F43-F45 HydrophobicContact CE1-CD1 3.76Å; F43-F45 HydrophobicContact CE1-CE1 4.04Å; F43-F45 HydrophobicContact CE1-CG 4.34Å; F43-H48 AromaticContact CE1-CD2 3.99Å; F43-H48 HydrophobicContact CE2-CB 3.72Å; F43-H48 HydrophobicContact CZ-CB 3.79Å; F43-H48 AromaticContact CZ-CD2 3.38Å; F43-H48 WeakPolarHBondContact CZ-CD2 3.49Å; F43-H48 AromaticContact CZ-CG 3.73Å; F43-T50 HydrophobicContact CB-CG2 4.38Å; F43-T50 HydrophobicContact CD2-CG2 4.1Å; F43-V90 HydrophobicContact CE1-CG1 3.98Å; F43-V90 HydrophobicContact CZ-CG1 4.12Å; F43-V90 WeakPolarHBondContact CZ-O 3.4Å; F43-L92 HydrophobicContact CD2-CG 4.45Å; F43-L92 HydrophobicContact CE2-CD2 4.3Å; F43-L92 HydrophobicContact CE2-CG 4.01Å |
| 44 | F | 96.3 | Very high | 84.6 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.4 | -178.6 | -67.3 | -95.5 | 0 | 0 | 0 | 110.9 | A13 M15 W21 A23 I42 H48 E49 A51 L53 | A13-F44 HydrophobicContact CB-CD1 4.25Å; A13-F44 HydrophobicContact CB-CE1 3.46Å; A13-F44 VanDerWaalsContact CB-CE1 3.46Å; A13-F44 HydrophobicContact CB-CZ 3.9Å; M15-F44 HydrophobicContact CG-CE1 4.29Å; M15-F44 HydrophobicContact CG-CZ 4Å; M15-F44 HydrophobicContact SD-CE1 3.93Å; M15-F44 HydrophobicContact SD-CE2 4.08Å; M15-F44 HydrophobicContact SD-CZ 3.45Å; M15-F44 WeakPolarHBondContact SD-CZ 3.34Å; W21-F44 HydrophobicContact CB-CD1 3.9Å; W21-F44 HydrophobicContact CB-CE1 4.18Å; W21-F44 AromaticContact CD1-CD1 3.71Å; W21-F44 AromaticContact CG-CD1 3.88Å; W21-F44 HydrophobicContact CG-CD1 3.88Å; A23-F44 HydrophobicContact CB-CD1 4.27Å; I42-F44 HydrophobicContact CB-CE2 4.16Å; I42-F44 HydrophobicContact CB-CZ 4.48Å; I42-F44 HydrophobicContact CG2-CD2 4.2Å; I42-F44 HydrophobicContact CG2-CE1 4.37Å; I42-F44 HydrophobicContact CG2-CE2 3.78Å; I42-F44 HydrophobicContact CG2-CZ 3.88Å; F44-H48 VanDerWaalsContact O-CA 3.24Å; F44-H48 WeakPolarHBondContact O-CA 3.44Å; F44-H48 PolarHBondContact O-N 2.8Å; F44-E49 WeakPolarHBondContact CD2-O 3.31Å; F44-E49 PolarHBondContact N-O 2.78Å; F44-A51 HydrophobicContact CE2-CB 3.94Å; F44-L53 HydrophobicContact CZ-CD1 4.1Å |
| 45 | F | 95.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 144.9 | 176.3 | -66.1 | -75.5 | 0 | 0 | 0 | 110.9 | L10 W21 P22 R24 F43 T47 G80 E83 I84 P88 V90 | L10-F45 HydrophobicContact CD2-CE2 4.13Å; L10-F45 HydrophobicContact CD2-CZ 4.08Å; W21-F45 PolarHBondContact NE1-O 3.43Å; P22-F45 PolarHBondContact O-N 2.84Å; R24-F45 HydrophobicContact CB-CE2 3.9Å; R24-F45 HydrophobicContact CB-CZ 3.9Å; R24-F45 HydrophobicContact CG-CE2 4.33Å; R24-F45 HydrophobicContact CG-CZ 4.02Å; F43-F45 HydrophobicContact CD1-CD1 4.26Å; F43-F45 HydrophobicContact CD1-CE1 4.33Å; F43-F45 AromaticContact CE1-CD1 3.76Å; F43-F45 HydrophobicContact CE1-CD1 3.76Å; F43-F45 HydrophobicContact CE1-CE1 4.04Å; F43-F45 HydrophobicContact CE1-CG 4.34Å; F45-T47 PolarHBondContact O-N 2.81Å; F45-G80 WeakPolarHBondContact CB-O 3.1Å; F45-G80 WeakPolarHBondContact O-CA 3.44Å; F45-E83 WeakPolarHBondContact CA-OE2 3.5Å; F45-E83 HydrophobicContact CB-CB 4.03Å; F45-E83 WeakPolarHBondContact CB-OE2 3.48Å; F45-E83 HydrophobicContact CD1-CB 3.77Å; F45-E83 HydrophobicContact CG-CB 4.19Å; F45-I84 HydrophobicContact CD2-CB 3.66Å; F45-I84 HydrophobicContact CD2-CD1 3.8Å; F45-I84 HydrophobicContact CD2-CG1 3.84Å; F45-I84 HydrophobicContact CE2-CB 3.81Å; F45-I84 HydrophobicContact CE2-CD1 3.7Å; F45-I84 HydrophobicContact CE2-CG1 3.56Å; F45-I84 HydrophobicContact CG-CB 4.21Å; F45-I84 HydrophobicContact CZ-CB 4.47Å; F45-I84 HydrophobicContact CZ-CG1 4.33Å; F45-P88 WeakPolarHBondContact CE1-O 3.34Å; F45-P88 HydrophobicContact CZ-CB 4.37Å; F45-P88 VanDerWaalsContact CZ-O 3.31Å; F45-P88 WeakPolarHBondContact CZ-O 3.32Å; F45-V90 HydrophobicContact CD1-CG1 3.79Å; F45-V90 HydrophobicContact CE1-CG1 3.85Å |
| 46 | G | 94.8 | Very high | 88.4 | Confident | 11 Ų | 11 | 61 Ų | 61 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | -2.7 | -180 | 0 | 0 | 0 | 0 | 0 | 116.6 | G76 E83 | G46-G76 WeakPolarHBondContact CA-O 3.47Å; G46-G76 WeakPolarHBondContact O-CA 3.48Å; G46-E83 PolarHBondContact N-OE2 2.83Å |
| 47 | T | 93.9 | Very high | 90.1 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 32% | 0.319 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -19.1 | 159.3 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | W21 F45 E49 | W21-T47 HydrophobicContact CH2-CG2 4.46Å; W21-T47 HydrophobicContact CZ2-CG2 3.77Å; F45-T47 PolarHBondContact O-N 2.81Å; T47-E49 PolarHBondContact O-N 3.09Å; T47-E49 PolarHBondContact OG1-OE2 3.23Å |
| 48 | H | 93.3 | Very high | 91.9 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 30% | 0.296 | 27% | 0.272 | S | S | . | . | trans | 57.2 | 13.7 | -176.7 | -50.9 | 156.6 | 0 | 0 | 0 | 113.9 | F43 F44 E83 L92 | F43-H48 AromaticContact CE1-CD2 3.99Å; F43-H48 HydrophobicContact CE2-CB 3.72Å; F43-H48 HydrophobicContact CZ-CB 3.79Å; F43-H48 AromaticContact CZ-CD2 3.38Å; F43-H48 WeakPolarHBondContact CZ-CD2 3.49Å; F43-H48 AromaticContact CZ-CG 3.73Å; F44-H48 VanDerWaalsContact O-CA 3.24Å; F44-H48 WeakPolarHBondContact O-CA 3.44Å; F44-H48 PolarHBondContact O-N 2.8Å; H48-E83 IonicContact CD2-OE1 3.71Å; H48-E83 IonicContact CD2-OE2 2.93Å; H48-E83 IonicContact CE1-OE1 3.73Å; H48-E83 PolarHBondContact CE1-OE1 3.23Å; H48-E83 VanDerWaalsContact NE2-CD 3.31Å; H48-E83 IonicContact NE2-OE1 3.34Å; H48-E83 PolarHBondContact NE2-OE1 3.05Å; H48-E83 IonicContact NE2-OE2 3.45Å; H48-E83 PolarHBondContact NE2-OE2 3.02Å; H48-L92 HydrophobicContact CB-CD2 3.97Å; H48-L92 WeakPolarHBondContact O-CD2 3.42Å | ||
| 49 | E | 92.9 | Very high | 92.8 | Very high | 125 Ų | 125 | 50.4 Ų | 50.4 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | trans | -66.4 | 153.5 | 172.3 | -66.7 | 172.9 | 127.9 | 0 | 0 | 110.5 | F44 T47 | F44-E49 WeakPolarHBondContact CD2-O 3.31Å; F44-E49 PolarHBondContact N-O 2.78Å; T47-E49 PolarHBondContact O-N 3.09Å; T47-E49 PolarHBondContact OG1-OE2 3.23Å | ||
| 50 | T | 91.9 | Very high | 93.2 | Very high | 82 Ų | 82 | 47.3 Ų | 47.3 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.2 | 175.1 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | I42 F43 L92 | I42-T50 CarbonylContact O-C 3.56Å; I42-T50 WeakPolarHBondContact O-CA 3.34Å; F43-T50 HydrophobicContact CB-CG2 4.38Å; F43-T50 HydrophobicContact CD2-CG2 4.1Å; T50-L92 HydrophobicContact CG2-CD1 4.25Å |
| 51 | A | 92.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 157.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | M15 I42 F44 | M15-A51 HydrophobicContact CE-CB 4.47Å; I42-A51 WeakPolarHBondContact CB-O 3.49Å; I42-A51 PolarHBondContact N-O 3.05Å; I42-A51 PolarHBondContact O-N 2.96Å; F44-A51 HydrophobicContact CE2-CB 3.94Å |
| 52 | F | 92.2 | Very high | 93.4 | Very high | 131 Ų | 131 | 50.9 Ų | 50.9 | 58% | 0.575 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106.6 | 178 | -70.5 | -86.4 | 0 | 0 | 0 | 111.9 | K39 Y40 P41 | K39-F52 HydrophobicContact CB-CB 4.25Å; K39-F52 HydrophobicContact CD-CB 4.3Å; Y40-F52 WeakPolarHBondContact O-CA 3.27Å; P41-F52 HydrophobicContact CB-CD1 4.24Å; P41-F52 HydrophobicContact CB-CE1 3.79Å; P41-F52 HydrophobicContact CB-CZ 4.29Å; P41-F52 HydrophobicContact CG-CE1 4.46Å |
| 53 | L | 92.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 146.6 | 178.6 | -61.9 | -170.8 | 0 | 0 | 0 | 112.4 | A13 M15 K39 Y40 I42 F44 D57 I58 | A13-L53 HydrophobicContact CB-CD1 3.74Å; M15-L53 HydrophobicContact CG-CD1 4.39Å; M15-L53 HydrophobicContact CG-CD2 4.22Å; K39-L53 CarbonylContact C-O 3Å; K39-L53 VanDerWaalsContact CA-O 3.22Å; K39-L53 WeakPolarHBondContact CA-O 3.42Å; Y40-L53 PolarHBondContact N-O 3.35Å; Y40-L53 PolarHBondContact O-N 3.39Å; Y40-L53 VanDerWaalsContact O-N 3.09Å; I42-L53 HydrophobicContact CG1-CB 3.84Å; I42-L53 HydrophobicContact CG1-CD1 4.17Å; I42-L53 HydrophobicContact CG1-CG 3.95Å; F44-L53 HydrophobicContact CZ-CD1 4.1Å; L53-D57 HydrophobicContact CB-CB 4.39Å; L53-D57 HydrophobicContact CD1-CB 4.26Å; L53-I58 HydrophobicContact CB-CD1 4.46Å; L53-I58 HydrophobicContact CB-CG1 4.27Å |
| 54 | G | 91.4 | Very high | 93.2 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | trans | -83.7 | 160.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I38 K56 D57 | I38-G54 WeakPolarHBondContact O-CA 3.45Å; G54-K56 PolarHBondContact O-N 3.19Å; G54-D57 PolarHBondContact O-N 2.89Å | ||
| 55 | P | 90.8 | Very high | 93 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 25% | 0.253 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 1.5 | -176 | 27.3 | -35.2 | 0 | 0 | 0 | 115.2 | I38 Y40 | I38-P55 HydrophobicContact CG2-CG 3.81Å; I38-P55 WeakPolarHBondContact O-CD 3.48Å; Y40-P55 HydrophobicContact CE2-CB 4.07Å; Y40-P55 HydrophobicContact CE2-CG 4.22Å |
| 56 | K | 91.9 | Very high | 92.9 | Very high | 183 Ų | 183 | 71.6 Ų | 71.6 | 80% | 0.796 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -23.3 | 168.3 | -65.9 | -176.8 | 178.6 | -179.6 | 0 | 112.8 | G54 | G54-K56 PolarHBondContact O-N 3.19Š|
| 57 | D | 93.8 | Very high | 92.8 | Very high | 66 Ų | 66 | 77.3 Ų | 77.3 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -106.9 | 10.4 | -175.1 | -60 | -60.9 | 0 | 0 | 0 | 111.9 | A13 K14 L53 G54 | A13-D57 CarbonylContact C-O 3.5Å; A13-D57 WeakPolarHBondContact CA-O 3.31Å; K14-D57 HydrophobicContact CB-CB 4.39Å; K14-D57 PolarHBondContact N-O 3.12Å; K14-D57 WeakPolarHBondContact O-CB 3.37Å; L53-D57 HydrophobicContact CB-CB 4.39Å; L53-D57 HydrophobicContact CD1-CB 4.26Å; G54-D57 PolarHBondContact O-N 2.89Å |
| 58 | I | 94.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 76.5 Ų | 76.5 | 4% | 0.036 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.7 | -176.7 | -58.4 | 172.3 | 0 | 0 | 0 | 108.7 | W5 I11 I25 Y40 I42 L53 | W5-I58 HydrophobicContact CD2-CG2 3.96Å; W5-I58 HydrophobicContact CE3-CG2 4.17Å; W5-I58 HydrophobicContact CH2-CG2 3.66Å; W5-I58 HydrophobicContact CZ2-CB 4.04Å; W5-I58 HydrophobicContact CZ2-CG2 3.42Å; W5-I58 VanDerWaalsContact CZ2-CG2 3.42Å; W5-I58 HydrophobicContact CZ3-CG2 4.03Å; I11-I58 HydrophobicContact CB-CG2 3.98Å; I11-I58 HydrophobicContact CD1-CG1 4.42Å; I11-I58 HydrophobicContact CD1-CG2 3.74Å; I11-I58 HydrophobicContact CG1-CG2 4.47Å; I11-I58 HydrophobicContact CG2-CG2 3.64Å; I25-I58 HydrophobicContact CD1-CG2 4.47Å; Y40-I58 HydrophobicContact CD2-CD1 3.58Å; Y40-I58 HydrophobicContact CE2-CD1 4.46Å; Y40-I58 HydrophobicContact CG-CD1 4.11Å; I42-I58 HydrophobicContact CD1-CD1 3.93Å; I42-I58 HydrophobicContact CD1-CG1 4.38Å; L53-I58 HydrophobicContact CB-CD1 4.46Å; L53-I58 HydrophobicContact CB-CG1 4.27Å |
| 59 | F | 94.1 | Very high | 92.7 | Very high | 58 Ų | 58 | 74.7 Ų | 74.7 | 25% | 0.254 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.8 | -177.2 | -58.9 | -93.1 | 0 | 0 | 0 | 109.9 | I11 F12 K14 H20 Y61 Y68 | I11-F59 CarbonylContact C-O 3.57Å; I11-F59 VanDerWaalsContact CA-O 3.27Å; I11-F59 WeakPolarHBondContact CA-O 3.48Å; I11-F59 WeakPolarHBondContact CB-O 3.18Å; F12-F59 HydrophobicContact CB-CB 4.3Å; F12-F59 PolarHBondContact N-O 2.91Å; F12-F59 PolarHBondContact O-N 3.45Å; K14-F59 HydrophobicContact CB-CD2 4.45Å; K14-F59 HydrophobicContact CB-CE2 3.86Å; H20-F59 AromaticContact CD2-CD2 3.77Å; H20-F59 AromaticContact CD2-CE2 3.85Å; H20-F59 AromaticContact NE2-CE2 3.78Å; F59-Y61 PolarHBondContact O-N 2.66Å; F59-Y68 HydrophobicContact CG-CE2 4.43Å |
| 60 | P | 94.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 75 Ų | 75 | 25% | 0.247 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 131.1 | -177.5 | -19 | 30.7 | 0 | 0 | 0 | 111.5 | W5 Q62 Q63 N64 | W5-P60 HydrophobicContact CH2-CB 4.37Å; W5-P60 HydrophobicContact CH2-CG 3.77Å; W5-P60 HydrophobicContact CZ3-CG 4.43Å; P60-Q62 PolarHBondContact O-N 2.91Å; P60-Q63 HydrophobicContact CB-CB 4.23Å; P60-Q63 HydrophobicContact CB-CG 4.19Å; P60-N64 WeakPolarHBondContact O-CB 3.18Å; P60-N64 PolarHBondContact O-N 2.81Å; P60-N64 PolarHBondContact O-OD1 2.94Å |
| 61 | Y | 93.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 76.7 Ų | 76.7 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.7 | -50.5 | -174.8 | 170 | -98.8 | 0 | 0 | 0 | 112.1 | L10 F12 F59 Q63 N64 K65 I84 E85 | L10-Y61 VanDerWaalsContact C-CB 3.4Å; L10-Y61 HydrophobicContact CB-CD1 4.42Å; L10-Y61 HydrophobicContact CB-CG 4.3Å; L10-Y61 WeakPolarHBondContact O-CB 3.22Å; L10-Y61 PolarHBondContact O-N 3.41Å; F12-Y61 AromaticContact CD2-CD2 3.98Å; F12-Y61 HydrophobicContact CD2-CD2 3.98Å; F12-Y61 HydrophobicContact CE1-CD2 4.42Å; F12-Y61 AromaticContact CE2-CD2 3.33Å; F12-Y61 HydrophobicContact CE2-CD2 3.33Å; F12-Y61 AromaticContact CE2-CE2 3.81Å; F12-Y61 HydrophobicContact CE2-CE2 3.81Å; F12-Y61 HydrophobicContact CE2-CG 4.18Å; F12-Y61 AromaticContact CZ-CD2 3.59Å; F12-Y61 HydrophobicContact CZ-CD2 3.59Å; F12-Y61 AromaticContact CZ-CE2 3.65Å; F12-Y61 HydrophobicContact CZ-CE2 3.65Å; F59-Y61 PolarHBondContact O-N 2.66Å; Y61-Q63 PolarHBondContact O-N 3.01Å; Y61-N64 CarbonylContact O-C 3.57Å; Y61-N64 PolarHBondContact O-N 2.89Å; Y61-K65 HydrophobicContact CE1-CD 3.98Å; Y61-K65 WeakPolarHBondContact O-CA 3.46Å; Y61-K65 WeakPolarHBondContact O-CB 3.37Å; Y61-K65 PolarHBondContact O-N 3.47Å; Y61-K65 WeakPolarHBondContact OH-CD 3.23Å; Y61-K65 VanDerWaalsContact OH-CE 3.23Å; Y61-K65 WeakPolarHBondContact OH-CE 3.47Å; Y61-K65 PolarHBondContact OH-NZ 3.26Å; Y61-I84 HydrophobicContact CD2-CD1 3.41Å; Y61-I84 VanDerWaalsContact CD2-CD1 3.41Å; Y61-I84 HydrophobicContact CD2-CG1 4.07Å; Y61-I84 HydrophobicContact CD2-CG2 4.39Å; Y61-I84 HydrophobicContact CE2-CD1 3.8Å; Y61-I84 HydrophobicContact CE2-CG1 4.06Å; Y61-I84 HydrophobicContact CE2-CG2 3.62Å; Y61-I84 HydrophobicContact CG-CD1 3.9Å; Y61-I84 HydrophobicContact CG-CG1 4.39Å; Y61-E85 WeakPolarHBondContact OH-CG 3.41Å; Y61-E85 PolarHBondContact OH-OE1 3Å |
| 62 | Q | 91.6 | Very high | 92.8 | Very high | 132 Ų | 132 | 78 Ų | 78 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.6 | -44 | -175.1 | -66.9 | 80.2 | -6.7 | 0 | 0 | 111.9 | P60 N64 | P60-Q62 PolarHBondContact O-N 2.91Å; Q62-N64 VanDerWaalsContact C-N 3.3Å; Q62-N64 PolarHBondContact O-N 3.32Å |
| 63 | Q | 93.3 | Very high | 92.9 | Very high | 164 Ų | 164 | 82.1 Ų | 82.1 | 77% | 0.766 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.4 | -26.4 | -179.7 | -62.9 | -178 | -4.5 | 0 | 0 | 113 | P60 Y61 | P60-Q63 HydrophobicContact CB-CB 4.23Å; P60-Q63 HydrophobicContact CB-CG 4.19Å; Y61-Q63 PolarHBondContact O-N 3.01Å |
| 64 | N | 92 | Very high | 92.9 | Very high | 24 Ų | 24 | 86.1 Ų | 86.1 | 13% | 0.128 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -107.1 | -0.8 | -175.4 | -72.8 | 89 | 0 | 0 | 0 | 114.1 | F12 P60 Y61 Q62 E66 K67 Y68 | F12-N64 HydrophobicContact CD2-CB 3.9Å; F12-N64 HydrophobicContact CE2-CB 4.4Å; P60-N64 WeakPolarHBondContact O-CB 3.18Å; P60-N64 PolarHBondContact O-N 2.81Å; P60-N64 PolarHBondContact O-OD1 2.94Å; Y61-N64 CarbonylContact O-C 3.57Å; Y61-N64 PolarHBondContact O-N 2.89Å; Q62-N64 VanDerWaalsContact C-N 3.3Å; Q62-N64 PolarHBondContact O-N 3.32Å; N64-E66 PolarHBondContact O-N 3.38Å; N64-K67 WeakPolarHBondContact O-CB 3.22Å; N64-K67 PolarHBondContact O-N 2.93Å; N64-Y68 HydrophobicContact CB-CD2 3.66Å; N64-Y68 HydrophobicContact CB-CE2 3.88Å; N64-Y68 WeakPolarHBondContact ND2-CE2 3.1Å; N64-Y68 PolarHBondContact O-N 2.87Å |
| 65 | K | 92.6 | Very high | 93 | Very high | 74 Ų | 74 | 94.9 Ų | 94.9 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -51.5 | -56.9 | -175.5 | -174.9 | 170.6 | 179.5 | 154.1 | 0 | 112.5 | Y61 K67 Y68 A69 E85 | Y61-K65 HydrophobicContact CE1-CD 3.98Å; Y61-K65 WeakPolarHBondContact O-CA 3.46Å; Y61-K65 WeakPolarHBondContact O-CB 3.37Å; Y61-K65 PolarHBondContact O-N 3.47Å; Y61-K65 WeakPolarHBondContact OH-CD 3.23Å; Y61-K65 VanDerWaalsContact OH-CE 3.23Å; Y61-K65 WeakPolarHBondContact OH-CE 3.47Å; Y61-K65 PolarHBondContact OH-NZ 3.26Å; K65-K67 PolarHBondContact O-N 3.33Å; K65-K67 VanDerWaalsContact O-N 3.09Å; K65-Y68 PolarHBondContact O-N 2.81Å; K65-A69 HydrophobicContact CG-CB 3.87Å; K65-A69 WeakPolarHBondContact O-CA 3.46Å; K65-A69 WeakPolarHBondContact O-CB 3.18Å; K65-A69 PolarHBondContact O-N 2.78Å; K65-E85 WeakPolarHBondContact CE-OE1 3.42Å; K65-E85 IonicContact NZ-OE1 2.66Å; K65-E85 PolarHBondContact NZ-OE1 3.14Å; K65-E85 IonicContact NZ-OE2 3.45Å; K65-E85 PolarHBondContact NZ-OE2 3.46Å |
| 66 | E | 92.4 | Very high | 93 | Very high | 183 Ų | 183 | 93.6 Ų | 93.6 | 86% | 0.855 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.3 | -28.5 | -179.5 | -59 | -178.9 | 176 | 0 | 0 | 113.7 | N64 K70 | N64-E66 PolarHBondContact O-N 3.38Å; E66-K70 WeakPolarHBondContact O-CE 3.3Å |
| 67 | K | 93.6 | Very high | 93.2 | Very high | 131 Ų | 131 | 85 Ų | 85 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -83.8 | -39.6 | -177.9 | -161.4 | -177.5 | 176.8 | -165.2 | 0 | 112.1 | N64 K65 | N64-K67 WeakPolarHBondContact O-CB 3.22Å; N64-K67 PolarHBondContact O-N 2.93Å; K65-K67 PolarHBondContact O-N 3.33Å; K65-K67 VanDerWaalsContact O-N 3.09Å |
| 68 | Y | 93.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 85.4 Ų | 85.4 | 13% | 0.133 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -117.3 | -19 | -167.2 | -59 | -26.6 | 0 | 0 | 0 | 115.5 | F12 H20 F59 N64 K65 K70 | F12-Y68 HydrophobicContact CB-CD2 3.99Å; F12-Y68 HydrophobicContact CD1-CD2 4.48Å; F12-Y68 HydrophobicContact CD2-CD2 4.05Å; F12-Y68 AromaticContact CG-CD2 3.91Å; F12-Y68 HydrophobicContact CG-CD2 3.91Å; F12-Y68 HydrophobicContact CG-CG 4.46Å; H20-Y68 HydrophobicContact CB-CD1 4.06Å; H20-Y68 HydrophobicContact CB-CD2 3.52Å; H20-Y68 HydrophobicContact CB-CE2 4.05Å; H20-Y68 HydrophobicContact CB-CG 3.55Å; H20-Y68 AromaticContact CD2-CD2 3.76Å; H20-Y68 AromaticContact CD2-CE2 3.34Å; H20-Y68 WeakPolarHBondContact CD2-CE2 3.3Å; H20-Y68 AromaticContact CD2-CZ 3.67Å; H20-Y68 AromaticContact CE1-CE1 3.48Å; H20-Y68 VanDerWaalsContact CE1-CE1 3.48Å; H20-Y68 WeakPolarHBondContact CE1-CE1 3.45Å; H20-Y68 AromaticContact CE1-CE2 3.81Å; H20-Y68 AromaticContact CE1-CZ 3.27Å; H20-Y68 PolarHBondContact CE1-OH 3.4Å; H20-Y68 AromaticContact CG-CD1 3.87Å; H20-Y68 AromaticContact CG-CD2 3.5Å; H20-Y68 AromaticContact CG-CE1 3.87Å; H20-Y68 AromaticContact CG-CE2 3.48Å; H20-Y68 VanDerWaalsContact CG-CE2 3.48Å; H20-Y68 AromaticContact CG-CG 3.73Å; H20-Y68 AromaticContact CG-CZ 3.69Å; H20-Y68 AromaticContact ND1-CD1 3.55Å; H20-Y68 AromaticContact ND1-CD2 3.99Å; H20-Y68 AromaticContact ND1-CE1 3.31Å; H20-Y68 VanDerWaalsContact ND1-CE1 3.31Å; H20-Y68 WeakPolarHBondContact ND1-CE1 3.46Å; H20-Y68 AromaticContact ND1-CE2 3.77Å; H20-Y68 AromaticContact ND1-CG 3.93Å; H20-Y68 AromaticContact ND1-CZ 3.43Å; H20-Y68 AromaticContact NE2-CE2 3.59Å; H20-Y68 AromaticContact NE2-CZ 3.43Å; H20-Y68 PolarHBondContact NE2-OH 3.07Å; F59-Y68 HydrophobicContact CG-CE2 4.43Å; N64-Y68 HydrophobicContact CB-CD2 3.66Å; N64-Y68 HydrophobicContact CB-CE2 3.88Å; N64-Y68 WeakPolarHBondContact ND2-CE2 3.1Å; N64-Y68 PolarHBondContact O-N 2.87Å; K65-Y68 PolarHBondContact O-N 2.81Å; Y68-K70 PolarHBondContact O-N 3.15Å |
| 69 | A | 91.9 | Very high | 93.3 | Very high | 26 Ų | 26 | 90.7 Ų | 90.7 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | trans | -75.8 | 40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F12 K65 L81 | F12-A69 HydrophobicContact CZ-CB 4.09Å; K65-A69 HydrophobicContact CG-CB 3.87Å; K65-A69 WeakPolarHBondContact O-CA 3.46Å; K65-A69 WeakPolarHBondContact O-CB 3.18Å; K65-A69 PolarHBondContact O-N 2.78Å; A69-L81 HydrophobicContact CB-CD2 3.94Å | ||
| 70 | K | 93.6 | Very high | 93.4 | Very high | 133 Ų | 133 | 88 Ų | 88 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | trans | -97.9 | 124.7 | -177.1 | -61.4 | -172.9 | -179 | -173.4 | 0 | 109.5 | E66 Y68 N72 F77 | E66-K70 WeakPolarHBondContact O-CE 3.3Å; Y68-K70 PolarHBondContact O-N 3.15Å; K70-N72 PolarHBondContact O-N 2.94Å; K70-F77 WeakPolarHBondContact O-CE1 3.46Å | ||
| 71 | P | 92.4 | Very high | 93.4 | Very high | 116 Ų | 116 | 87 Ų | 87 | 75% | 0.753 | 41% | 0.412 | S | S | * | . | trans | -51.4 | 137.4 | -177.3 | -30.3 | 35.7 | 0 | 0 | 0 | 113.7 | N78 | P71-N78 WeakPolarHBondContact CA-OD1 3.44Š| ||
| 72 | N | 93.3 | Very high | 93.4 | Very high | 55 Ų | 55 | 93.7 Ų | 93.7 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | trans | -125.6 | 160.5 | -170.8 | -155.4 | -46 | 0 | 0 | 0 | 110.9 | K70 R74 F77 N78 | K70-N72 PolarHBondContact O-N 2.94Å; N72-R74 PolarHBondContact OD1-N 3.5Å; N72-F77 HydrophobicContact CB-CB 4.05Å; N72-F77 HydrophobicContact CB-CD1 3.25Å; N72-F77 HydrophobicContact CB-CD2 4.36Å; N72-F77 HydrophobicContact CB-CE1 3.69Å; N72-F77 HydrophobicContact CB-CG 3.62Å; N72-F77 HydrophobicContact CB-CZ 4.42Å; N72-N78 PolarHBondContact N-OD1 2.87Å; N72-N78 PolarHBondContact O-ND2 2.72Å; N72-N78 PolarHBondContact O-OD1 3.06Å | ||
| 73 | K | 94 | Very high | 93.6 | Very high | 216 Ų | 216 | 88.2 Ų | 88.2 | 94% | 0.939 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -89.3 | -1.4 | 178.6 | -64.7 | -176.1 | 179.2 | -179.7 | 0 | 113.5 | ||
| 74 | R | 92.1 | Very high | 93.6 | Very high | 102 Ų | 102 | 80.6 Ų | 80.6 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -76.8 | 138.3 | 175 | -67 | -166.6 | 177.8 | -151.2 | 2.6 | 110.9 | G17 W21 N72 F77 | G17-R74 VanDerWaalsContact O-CZ 3.28Å; G17-R74 PolarHBondContact O-NH1 3.27Å; G17-R74 PolarHBondContact O-NH2 2.99Å; W21-R74 HydrophobicContact CH2-CB 4.13Å; W21-R74 HydrophobicContact CZ3-CB 4.22Å; N72-R74 PolarHBondContact OD1-N 3.5Å; R74-F77 HydrophobicContact CB-CB 4.33Å; R74-F77 PolarHBondContact O-N 2.91Å |
| 75 | K | 93.1 | Very high | 93.6 | Very high | 200 Ų | 200 | 84.1 Ų | 84.1 | 87% | 0.87 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 145.8 | 169.9 | -62 | -173.5 | 176.4 | -170.4 | 0 | 109.9 | W21 F77 | W21-K75 WeakPolarHBondContact CH2-O 3.39Å; K75-F77 PolarHBondContact O-N 2.68Å |
| 76 | G | 92.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 85 Ų | 85 | 12% | 0.124 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | -21.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | G46 E79 G80 | G46-G76 WeakPolarHBondContact CA-O 3.47Å; G46-G76 WeakPolarHBondContact O-CA 3.48Å; G76-E79 PolarHBondContact O-N 3.14Å; G76-G80 PolarHBondContact O-N 2.78Å |
| 77 | F | 95.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.2 | -47.3 | -171.9 | -171.9 | -87.5 | 0 | 0 | 0 | 113.7 | P19 H20 W21 K70 N72 R74 K75 E79 G80 L81 | P19-F77 HydrophobicContact CB-CE2 3.9Å; P19-F77 HydrophobicContact CB-CZ 4.47Å; P19-F77 HydrophobicContact CG-CD2 3.7Å; P19-F77 HydrophobicContact CG-CE2 3.49Å; P19-F77 VanDerWaalsContact CG-CE2 3.49Å; P19-F77 HydrophobicContact CG-CZ 4.44Å; H20-F77 VanDerWaalsContact O-CE2 3.3Å; H20-F77 WeakPolarHBondContact O-CE2 3.21Å; W21-F77 AromaticContact CD2-CD2 3.76Å; W21-F77 HydrophobicContact CD2-CD2 3.76Å; W21-F77 HydrophobicContact CD2-CE2 4.34Å; W21-F77 AromaticContact CE3-CD2 3.62Å; W21-F77 HydrophobicContact CE3-CD2 3.62Å; W21-F77 HydrophobicContact CE3-CE2 4.25Å; W21-F77 HydrophobicContact CG-CD2 4.38Å; W21-F77 HydrophobicContact CH2-CB 3.8Å; W21-F77 HydrophobicContact CH2-CD2 4.11Å; W21-F77 HydrophobicContact CH2-CG 4.49Å; W21-F77 HydrophobicContact CZ2-CB 3.95Å; W21-F77 HydrophobicContact CZ2-CD2 4.25Å; W21-F77 HydrophobicContact CZ3-CB 4.25Å; W21-F77 AromaticContact CZ3-CD2 3.8Å; W21-F77 HydrophobicContact CZ3-CD2 3.8Å; K70-F77 WeakPolarHBondContact O-CE1 3.46Å; N72-F77 HydrophobicContact CB-CB 4.05Å; N72-F77 HydrophobicContact CB-CD1 3.25Å; N72-F77 HydrophobicContact CB-CD2 4.36Å; N72-F77 HydrophobicContact CB-CE1 3.69Å; N72-F77 HydrophobicContact CB-CG 3.62Å; N72-F77 HydrophobicContact CB-CZ 4.42Å; R74-F77 HydrophobicContact CB-CB 4.33Å; R74-F77 PolarHBondContact O-N 2.91Å; K75-F77 PolarHBondContact O-N 2.68Å; F77-E79 VanDerWaalsContact C-N 3.29Å; F77-G80 PolarHBondContact O-N 3Å; F77-L81 HydrophobicContact CD1-CD1 4.03Å; F77-L81 HydrophobicContact CD1-CG 4.2Å; F77-L81 HydrophobicContact CE1-CD1 3.58Å; F77-L81 HydrophobicContact CE1-CD2 4.39Å; F77-L81 HydrophobicContact CE1-CG 3.9Å; F77-L81 HydrophobicContact CZ-CD1 4.49Å; F77-L81 PolarHBondContact O-N 3.36Å |
| 78 | N | 95.1 | Very high | 92.8 | Very high | 75 Ų | 75 | 75.7 Ų | 75.7 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.9 | -28.9 | -179 | -55.8 | -35.2 | 0 | 0 | 0 | 111.8 | P71 N72 L81 W82 | P71-N78 WeakPolarHBondContact CA-OD1 3.44Å; N72-N78 PolarHBondContact N-OD1 2.87Å; N72-N78 PolarHBondContact O-ND2 2.72Å; N72-N78 PolarHBondContact O-OD1 3.06Å; N78-L81 PolarHBondContact O-N 2.86Å; N78-W82 PolarHBondContact O-N 2.89Å; N78-W82 VanDerWaalsContact O-N 3.14Å |
| 79 | E | 94.6 | Very high | 92.1 | Very high | 118 Ų | 118 | 82.8 Ų | 82.8 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.6 | -46.5 | 172.3 | -176.7 | 164.3 | -150.6 | 0 | 0 | 109.9 | G76 F77 L81 W82 E83 | G76-E79 PolarHBondContact O-N 3.14Å; F77-E79 VanDerWaalsContact C-N 3.29Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 3.28Å; E79-W82 CarbonylContact O-C 3.47Å; E79-W82 WeakPolarHBondContact O-CA 3.36Å; E79-W82 WeakPolarHBondContact O-CB 3.34Å; E79-W82 PolarHBondContact O-N 2.78Å; E79-E83 WeakPolarHBondContact O-CG 3.38Å; E79-E83 PolarHBondContact O-N 3.08Å |
| 80 | G | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.6 | -31.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F45 G76 F77 W82 I84 | F45-G80 WeakPolarHBondContact CB-O 3.1Å; F45-G80 WeakPolarHBondContact O-CA 3.44Å; G76-G80 PolarHBondContact O-N 2.78Å; F77-G80 PolarHBondContact O-N 3Å; G80-W82 VanDerWaalsContact C-N 3.3Å; G80-I84 WeakPolarHBondContact O-CB 3.38Å; G80-I84 VanDerWaalsContact O-CG2 3.3Å; G80-I84 WeakPolarHBondContact O-CG2 3.45Å; G80-I84 PolarHBondContact O-N 3.04Å |
| 81 | L | 95.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 81.7 Ų | 81.7 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.5 | -29.2 | 170.3 | -74.1 | -175.5 | 0 | 0 | 0 | 112.5 | F12 P22 A69 F77 N78 E79 I84 E85 | F12-L81 HydrophobicContact CE1-CD2 4.12Å; F12-L81 HydrophobicContact CZ-CD2 4.37Å; P22-L81 HydrophobicContact CB-CD2 4.07Å; P22-L81 HydrophobicContact CG-CD2 3.9Å; P22-L81 HydrophobicContact CG-CG 4.24Å; A69-L81 HydrophobicContact CB-CD2 3.94Å; F77-L81 HydrophobicContact CD1-CD1 4.03Å; F77-L81 HydrophobicContact CD1-CG 4.2Å; F77-L81 HydrophobicContact CE1-CD1 3.58Å; F77-L81 HydrophobicContact CE1-CD2 4.39Å; F77-L81 HydrophobicContact CE1-CG 3.9Å; F77-L81 HydrophobicContact CZ-CD1 4.49Å; F77-L81 PolarHBondContact O-N 3.36Å; N78-L81 PolarHBondContact O-N 2.86Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 3.28Å; L81-I84 WeakPolarHBondContact O-CG2 3.46Å; L81-E85 WeakPolarHBondContact O-CG 3.24Å |
| 82 | W | 94.8 | Very high | 89.2 | Confident | 153 Ų | 153 | 80.1 Ų | 80.1 | 58% | 0.58 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -78.8 | -43.9 | 174.3 | -176.5 | 84.4 | 0 | 0 | 0 | 111.3 | N78 E79 G80 E85 N86 | N78-W82 PolarHBondContact O-N 2.89Å; N78-W82 VanDerWaalsContact O-N 3.14Å; E79-W82 CarbonylContact O-C 3.47Å; E79-W82 WeakPolarHBondContact O-CA 3.36Å; E79-W82 WeakPolarHBondContact O-CB 3.34Å; E79-W82 PolarHBondContact O-N 2.78Å; G80-W82 VanDerWaalsContact C-N 3.3Å; W82-E85 PolarHBondContact O-N 2.82Å; W82-N86 HydrophobicContact CD2-CB 4.11Å; W82-N86 HydrophobicContact CE3-CB 4.37Å; W82-N86 HydrophobicContact CH2-CB 3.97Å; W82-N86 HydrophobicContact CZ2-CB 3.68Å; W82-N86 HydrophobicContact CZ3-CB 4.31Å; W82-N86 PolarHBondContact NE1-ND2 3.18Å; W82-N86 WeakPolarHBondContact O-CB 3.37Å; W82-N86 PolarHBondContact O-N 3.38Å; W82-N86 PolarHBondContact O-ND2 2.99Å |
| 83 | E | 94.9 | Very high | 86.7 | Confident | 18 Ų | 18 | 84.6 Ų | 84.6 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 177.7 | -74.2 | -174.8 | 164 | 0 | 0 | 113.2 | F45 G46 H48 E79 E85 N86 N87 | F45-E83 WeakPolarHBondContact CA-OE2 3.5Å; F45-E83 HydrophobicContact CB-CB 4.03Å; F45-E83 WeakPolarHBondContact CB-OE2 3.48Å; F45-E83 HydrophobicContact CD1-CB 3.77Å; F45-E83 HydrophobicContact CG-CB 4.19Å; G46-E83 PolarHBondContact N-OE2 2.83Å; H48-E83 IonicContact CD2-OE1 3.71Å; H48-E83 IonicContact CD2-OE2 2.93Å; H48-E83 IonicContact CE1-OE1 3.73Å; H48-E83 PolarHBondContact CE1-OE1 3.23Å; H48-E83 VanDerWaalsContact NE2-CD 3.31Å; H48-E83 IonicContact NE2-OE1 3.34Å; H48-E83 PolarHBondContact NE2-OE1 3.05Å; H48-E83 IonicContact NE2-OE2 3.45Å; H48-E83 PolarHBondContact NE2-OE2 3.02Å; E79-E83 WeakPolarHBondContact O-CG 3.38Å; E79-E83 PolarHBondContact O-N 3.08Å; E83-E85 PolarHBondContact O-N 2.92Å; E83-E85 VanDerWaalsContact O-N 3.08Å; E83-N86 PolarHBondContact O-N 3.49Å; E83-N87 CarbonylContact O-C 3.6Å; E83-N87 WeakPolarHBondContact O-CA 3.46Å; E83-N87 PolarHBondContact O-N 2.9Å |
| 84 | I | 93.7 | Very high | 84.2 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 2% | 0.015 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -20.6 | 179.6 | -165 | 160.7 | 0 | 0 | 0 | 113 | L10 P22 A23 F45 Y61 G80 L81 | L10-I84 HydrophobicContact CB-CD1 4.3Å; L10-I84 HydrophobicContact CB-CG1 4.36Å; L10-I84 HydrophobicContact CD1-CG1 4.13Å; L10-I84 HydrophobicContact CD2-CG1 4.21Å; L10-I84 HydrophobicContact CG-CG1 4.46Å; P22-I84 HydrophobicContact CB-CB 4.13Å; P22-I84 HydrophobicContact CB-CD1 3.81Å; P22-I84 HydrophobicContact CB-CG2 3.87Å; A23-I84 WeakPolarHBondContact O-CD1 3.35Å; F45-I84 HydrophobicContact CD2-CB 3.66Å; F45-I84 HydrophobicContact CD2-CD1 3.8Å; F45-I84 HydrophobicContact CD2-CG1 3.84Å; F45-I84 HydrophobicContact CE2-CB 3.81Å; F45-I84 HydrophobicContact CE2-CD1 3.7Å; F45-I84 HydrophobicContact CE2-CG1 3.56Å; F45-I84 HydrophobicContact CG-CB 4.21Å; F45-I84 HydrophobicContact CZ-CB 4.47Å; F45-I84 HydrophobicContact CZ-CG1 4.33Å; Y61-I84 HydrophobicContact CD2-CD1 3.41Å; Y61-I84 VanDerWaalsContact CD2-CD1 3.41Å; Y61-I84 HydrophobicContact CD2-CG1 4.07Å; Y61-I84 HydrophobicContact CD2-CG2 4.39Å; Y61-I84 HydrophobicContact CE2-CD1 3.8Å; Y61-I84 HydrophobicContact CE2-CG1 4.06Å; Y61-I84 HydrophobicContact CE2-CG2 3.62Å; Y61-I84 HydrophobicContact CG-CD1 3.9Å; Y61-I84 HydrophobicContact CG-CG1 4.39Å; G80-I84 WeakPolarHBondContact O-CB 3.38Å; G80-I84 VanDerWaalsContact O-CG2 3.3Å; G80-I84 WeakPolarHBondContact O-CG2 3.45Å; G80-I84 PolarHBondContact O-N 3.04Å; L81-I84 WeakPolarHBondContact O-CG2 3.46Å |
| 85 | E | 91.6 | Very high | 81.3 | Confident | 98 Ų | 98 | 78.4 Ų | 78.4 | 46% | 0.458 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -95.7 | -37.6 | 176.9 | -65.4 | -175.3 | -170.7 | 0 | 0 | 113.3 | Y61 K65 L81 W82 E83 | Y61-E85 WeakPolarHBondContact OH-CG 3.41Å; Y61-E85 PolarHBondContact OH-OE1 3Å; K65-E85 WeakPolarHBondContact CE-OE1 3.42Å; K65-E85 IonicContact NZ-OE1 2.66Å; K65-E85 PolarHBondContact NZ-OE1 3.14Å; K65-E85 IonicContact NZ-OE2 3.45Å; K65-E85 PolarHBondContact NZ-OE2 3.46Å; L81-E85 WeakPolarHBondContact O-CG 3.24Å; W82-E85 PolarHBondContact O-N 2.82Å; E83-E85 PolarHBondContact O-N 2.92Å; E83-E85 VanDerWaalsContact O-N 3.08Å |
| 86 | N | 90.8 | Very high | 78.5 | Confident | 94 Ų | 94 | 75.7 Ų | 75.7 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -110.2 | -24.5 | -168.2 | -64.1 | -98.9 | 0 | 0 | 0 | 113.6 | W82 E83 | W82-N86 HydrophobicContact CD2-CB 4.11Å; W82-N86 HydrophobicContact CE3-CB 4.37Å; W82-N86 HydrophobicContact CH2-CB 3.97Å; W82-N86 HydrophobicContact CZ2-CB 3.68Å; W82-N86 HydrophobicContact CZ3-CB 4.31Å; W82-N86 PolarHBondContact NE1-ND2 3.18Å; W82-N86 WeakPolarHBondContact O-CB 3.37Å; W82-N86 PolarHBondContact O-N 3.38Å; W82-N86 PolarHBondContact O-ND2 2.99Å; E83-N86 PolarHBondContact O-N 3.49Å |
| 87 | N | 87.8 | Confident | 75.7 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | trans | -145.8 | 59.4 | 178.4 | -166.9 | 7 | 0 | 0 | 0 | 112.4 | E83 K89 V90 | E83-N87 CarbonylContact O-C 3.6Å; E83-N87 WeakPolarHBondContact O-CA 3.46Å; E83-N87 PolarHBondContact O-N 2.9Å; N87-K89 PolarHBondContact O-N 2.77Å; N87-V90 WeakPolarHBondContact O-CG1 3.46Å; N87-V90 PolarHBondContact O-N 3.46Å; N87-V90 VanDerWaalsContact O-N 3.14Å | ||
| 88 | P | 83.5 | Confident | 73.1 | Confident | 45 Ų | 45 | 87 Ų | 87 | 29% | 0.292 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.8 | -177.3 | 23.4 | -34.1 | 0 | 0 | 0 | 113.9 | L10 R24 F45 | L10-P88 HydrophobicContact CD1-CB 4.07Å; L10-P88 HydrophobicContact CD2-CB 3.87Å; R24-P88 PolarHBondContact NH1-O 3.43Å; F45-P88 WeakPolarHBondContact CE1-O 3.34Å; F45-P88 HydrophobicContact CZ-CB 4.37Å; F45-P88 VanDerWaalsContact CZ-O 3.31Å; F45-P88 WeakPolarHBondContact CZ-O 3.32Å |
| 89 | K | 78.5 | Confident | 70.7 | Confident | 182 Ų | 182 | 89 Ų | 89 | 79% | 0.791 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 18.2 | 179.4 | -62.9 | -170.4 | 177.7 | -173.7 | 0 | 114 | N87 E91 | N87-K89 PolarHBondContact O-N 2.77Å; K89-E91 PolarHBondContact O-N 3.04Å |
| 90 | V | 79.3 | Confident | 68.1 | Low | 23 Ų | 23 | 88.5 Ų | 88.5 | 14% | 0.139 | 49% | 0.486 | C | S | . | . | trans | -63.3 | 96.7 | 174.2 | 63 | 0 | 0 | 0 | 0 | 110.7 | R24 F43 F45 N87 | R24-V90 PolarHBondContact NH1-O 3.04Å; R24-V90 PolarHBondContact NH2-O 3.33Å; F43-V90 HydrophobicContact CE1-CG1 3.98Å; F43-V90 HydrophobicContact CZ-CG1 4.12Å; F43-V90 WeakPolarHBondContact CZ-O 3.4Å; F45-V90 HydrophobicContact CD1-CG1 3.79Å; F45-V90 HydrophobicContact CE1-CG1 3.85Å; N87-V90 WeakPolarHBondContact O-CG1 3.46Å; N87-V90 PolarHBondContact O-N 3.46Å; N87-V90 VanDerWaalsContact O-N 3.14Å | ||
| 91 | E | 74.5 | Confident | 65.9 | Low | 114 Ų | 114 | 95 Ų | 95 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | trans | -67.4 | 156.7 | 170.3 | -67.5 | -164.9 | 152.4 | 0 | 0 | 110.3 | K89 T93 K96 | K89-E91 PolarHBondContact O-N 3.04Å; E91-T93 PolarHBondContact O-N 2.93Å; E91-K96 IonicContact OE1-NZ 2.66Å; E91-K96 PolarHBondContact OE1-NZ 3.08Å; E91-K96 IonicContact OE2-NZ 3.74Å; E91-K96 PolarHBondContact OE2-NZ 3.34Å | ||
| 92 | L | 62.2 | Low | 63.4 | Low | 83 Ų | 83 | 99 Ų | 99 | 44% | 0.435 | 56% | 0.558 | S | S | . | * | trans | -59.7 | 121.1 | 162.2 | -82.3 | 169.9 | 0 | 0 | 0 | 109 | F43 H48 T50 A94 | F43-L92 HydrophobicContact CD2-CG 4.45Å; F43-L92 HydrophobicContact CE2-CD2 4.3Å; F43-L92 HydrophobicContact CE2-CG 4.01Å; H48-L92 HydrophobicContact CB-CD2 3.97Å; H48-L92 WeakPolarHBondContact O-CD2 3.42Å; T50-L92 HydrophobicContact CG2-CD1 4.25Å; L92-A94 HydrophobicContact CB-CB 4.43Å; L92-A94 PolarHBondContact O-N 2.84Å | ||
| 93 | T | 40.7 | Very low | 60.7 | Low | 148 Ų | 148 | 101 Ų | 101 | 91% | 0.908 | 57% | 0.571 | S | S | * | * | trans | -74 | 43.3 | 169.3 | -43.2 | 0 | 0 | 0 | 0 | 111.5 | E91 | E91-T93 PolarHBondContact O-N 2.93Š| ||
| 94 | A | 41.6 | Very low | 58.1 | Low | 63 Ų | 63 | 108.7 Ų | 108.7 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -84.4 | 129.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | L92 K96 | L92-A94 HydrophobicContact CB-CB 4.43Å; L92-A94 PolarHBondContact O-N 2.84Å; A94-K96 PolarHBondContact O-N 3.5Å |
| 95 | P | 32.3 | Very low | 55.8 | Low | 126 Ų | 126 | 117 Ų | 117 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | -58.8 | 112.9 | 178.3 | -25.2 | 34.7 | 0 | 0 | 0 | 111.1 | P97 | P95-P97 WeakPolarHBondContact O-CD 3.27Å; P95-P97 VanDerWaalsContact O-N 3.16Å | ||
| 96 | K | 33.1 | Very low | 53.4 | Low | 142 Ų | 142 | 122 Ų | 122 | 62% | 0.617 | 67% | 0.671 | S | S | * | * | trans | -55.1 | 118.7 | 166.6 | -77.1 | 169.5 | 173.3 | 162.4 | 0 | 107 | E91 A94 V98 | E91-K96 IonicContact OE1-NZ 2.66Å; E91-K96 PolarHBondContact OE1-NZ 3.08Å; E91-K96 IonicContact OE2-NZ 3.74Å; E91-K96 PolarHBondContact OE2-NZ 3.34Å; A94-K96 PolarHBondContact O-N 3.5Å; K96-V98 PolarHBondContact O-N 3.27Å | ||
| 97 | P | 34.7 | Very low | 50.8 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | trans | -71 | 100.1 | -173.1 | 27.3 | -33.6 | 0 | 0 | 0 | 109.6 | P95 | P95-P97 WeakPolarHBondContact O-CD 3.27Å; P95-P97 VanDerWaalsContact O-N 3.16Å | ||
| 98 | V | 40.3 | Very low | 48.5 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 125.2 | 172.5 | -72.8 | 0 | 0 | 0 | 0 | 109.5 | K96 | K96-V98 PolarHBondContact O-N 3.27Š|
| 99 | P | 45.3 | Very low | 46.6 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -67 | 138.9 | 171.1 | 28.3 | -32.9 | 0 | 0 | 0 | 109.2 | ||
| 100 | P | 40.4 | Very low | 44.5 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 133.3 | -179.8 | 27.4 | -33.8 | 0 | 0 | 0 | 110.9 | S102 | P100-S102 PolarHBondContact O-N 2.85Š|
| 101 | P | 48.4 | Very low | 42.4 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -83.2 | 77.3 | -175.9 | 33.6 | -35.9 | 0 | 0 | 0 | 112.1 | ||
| 102 | S | 42.4 | Very low | 40.9 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -163 | 73.5 | 173.7 | 51.2 | 0 | 0 | 0 | 0 | 115.7 | P100 | P100-S102 PolarHBondContact O-N 2.85Š| ||
| 103 | F | 38.1 | Very low | 39.5 | Very low | 194 Ų | 194 | 140 Ų | 140 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -162.5 | 68 | 146.2 | -154.4 | -100.1 | 0 | 0 | 0 | 114.6 | ||||
| 104 | L | 41.6 | Very low | 39 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | trans | -147.1 | 73.9 | 156 | -85.2 | -171.1 | 0 | 0 | 0 | 109.6 | ||||
| 105 | E | 45.2 | Very low | 38.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -129.5 | 113.8 | 162.8 | -171.3 | 165.9 | -131.4 | 0 | 0 | 106.3 | ||||
| 106 | K | 41.5 | Very low | 38.8 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -157.9 | 117.7 | 170.5 | -167.7 | 154.6 | -170.7 | 168.7 | 0 | 110.2 | ||||
| 107 | D | 35.9 | Very low | 38.8 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -60.7 | 151 | -173.8 | -51.3 | -106.8 | 0 | 0 | 0 | 113.7 | ||||
| 108 | L | 39.7 | Very low | 38.8 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | trans | -146.6 | 98.3 | 148.2 | -118.7 | 164.9 | 0 | 0 | 0 | 108.8 | ||||
| 109 | E | 42.9 | Very low | 38.5 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | -85 | 139.9 | -174.6 | -178.5 | -170.6 | 149.6 | 0 | 0 | 112.5 | ||||
| 110 | S | 34.9 | Very low | 37.9 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -169.5 | 126.9 | 153.1 | -77.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 111 | G | 34.2 | Very low | 37.8 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -74.9 | -175 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 112 | P | 43.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | -147.9 | 155.8 | 65.3 | 39.4 | -21.1 | 0 | 0 | 0 | 118.3 | |||||
| 113 | E | 31.9 | Very low | 36.4 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | 45.3 | 144.1 | 129.1 | -52.6 | 176.2 | 154.3 | 0 | 0 | 124.2 | |||||
| 114 | G | 31.2 | Very low | 36.3 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 94.1 | 130 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 115 | E | 34.8 | Very low | 36.2 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | cis | 55.4 | 133.2 | 36 | -62.9 | -163.7 | 117.5 | 0 | 0 | 113.3 | ||||
| 116 | E | 34.3 | Very low | 35.3 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | cis | -149 | 162.5 | 24.2 | 63.2 | -163.8 | 114.2 | 0 | 0 | 114.5 | ||||
| 117 | D | 33.3 | Very low | 35 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | 48.9 | 152.1 | 157.9 | -105.7 | -93.7 | 0 | 0 | 0 | 122.2 | ||||
| 118 | A | 34.9 | Very low | 34.9 | Very low | 77 Ų | 77 | 139 Ų | 139 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -157.8 | 149.1 | 18.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 119 | V | 34.4 | Very low | 34.2 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 47.2 | 98.4 | 131.1 | -179.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 120 | D | 32.6 | Very low | 33.6 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | 81.4 | 113 | 85.7 | -179.7 | 47.2 | 0 | 0 | 0 | 116.7 | |||||
| 121 | K | 38.3 | Very low | 33.3 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | -177.4 | 112.3 | 117.3 | -99.3 | 158.7 | -165.4 | 167.1 | 0 | 114 | |||||
| 122 | G | 28 | Very low | 33.1 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -103.3 | 141.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 123 | V | 33.2 | Very low | 32.4 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -135.8 | 113.7 | 157.2 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 124 | K | 35.3 | Very low | 32.3 | Very low | 200 Ų | 200 | 137.8 Ų | 137.8 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | trans | -102.8 | 141 | 152.5 | -71.5 | -177.5 | 178 | 177.5 | 0 | 106.2 | ||||
| 125 | P | 39.7 | Very low | 32.2 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | -141.3 | -171.6 | 81.5 | 43.1 | -27.7 | 0 | 0 | 0 | 111.5 | |||||
| 126 | K | 25.7 | Very low | 31.8 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | cis | -152.7 | 149.4 | 8.8 | -168.2 | 76.3 | 175.2 | -173.1 | 0 | 108.7 | ||||
| 127 | V | 36.7 | Very low | 31.7 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -110.9 | 143.8 | 161.9 | -127.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 128 | P | 32.7 | Very low | 31.5 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | -134.7 | -175.7 | 72.9 | 27.6 | -5.8 | 0 | 0 | 0 | 112.6 | |||||
| 129 | G | 26.1 | Very low | 31.3 | Very low | 62 Ų | 62 | 146.5 Ų | 146.5 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | cis | 124.9 | 152.5 | 1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 130 | K | 30.4 | Very low | 31 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | 78.8 | 144.6 | -169.8 | -61.3 | -166.7 | 155.9 | -75.6 | 0 | 114.3 | ||||
| 131 | E | 27.8 | Very low | 31.1 | Very low | 153 Ų | 153 | 153.3 Ų | 153.3 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | cis | 134.7 | 156.7 | -2 | -92.6 | 172.2 | 155.6 | 0 | 0 | 107.4 | ||||
| 132 | A | 30.5 | Very low | 30.8 | Very low | 93 Ų | 93 | 154.1 Ų | 154.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 68 | 154.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 133 | E | 28.2 | Very low | 31.4 | Very low | 180 Ų | 180 | 159.6 Ų | 159.6 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | cis | -171.4 | -177.9 | -38.6 | -120.9 | 165.5 | -171.2 | 0 | 0 | 107.6 | ||||
| 134 | Q | 30.2 | Very low | 31.3 | Very low | 156 Ų | 156 | 162.2 Ų | 162.2 | 73% | 0.729 | 82% | 0.815 | S | S | * | * | trans | 70.3 | 120 | 169.6 | -61.4 | -163.5 | -78.4 | 0 | 0 | 115.8 | ||||
| 135 | E | 28.9 | Very low | 31 | Very low | 163 Ų | 163 | 155.3 Ų | 155.3 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | 76.2 | 112.7 | 68.1 | -68.2 | 158.7 | -161.9 | 0 | 0 | 113.1 | |||||
| 136 | N | 26.4 | Very low | 30.5 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | -152.8 | 139.5 | 126 | -150.9 | 47.9 | 0 | 0 | 0 | 109.7 | |||||
| 137 | E | 33 | Very low | 30.9 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -91.6 | 166.5 | 160.8 | -62.3 | 174 | 139.3 | 0 | 0 | 108.1 | ||||
| 138 | E | 27.8 | Very low | 30.8 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -176.1 | 149.2 | 131.8 | -102.2 | 162.9 | -174.3 | 0 | 0 | 110.1 | ||||
| 139 | E | 31.6 | Very low | 30.7 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -105.3 | 163.4 | -177.9 | -55.3 | 176.3 | 132.4 | 0 | 0 | 109.6 | ||||
| 140 | E | 28.7 | Very low | 30.9 | Very low | 200 Ų | 200 | 156.3 Ų | 156.3 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | trans | -159 | 147.3 | 139.7 | -118.7 | 170.1 | -164.7 | 0 | 0 | 111.2 | ||||
| 141 | E | 35 | Very low | 30.9 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -105.6 | 155 | 177.8 | -56.9 | -177.5 | 129.3 | 0 | 0 | 110.5 | ||||
| 142 | E | 30 | Very low | 30.9 | Very low | 207 Ų | 207 | 151.7 Ų | 151.7 | 97% | 0.967 | 79% | 0.792 | S | S | * | * | trans | -145.3 | 153.7 | 147.2 | -81.8 | -152.4 | 140.7 | 0 | 0 | 110.7 | ||||
| 143 | E | 42.5 | Very low | 31.6 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -129.2 | 135.2 | -174.5 | -167.7 | -152 | -125.9 | 0 | 0 | 112.6 | ||||
| 144 | E | 30.7 | Very low | 31.9 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -159.2 | 157.5 | 147.5 | -100.4 | -147.1 | 140.9 | 0 | 0 | 108.7 | ||||
| 145 | G | 28.7 | Very low | 32.1 | Very low | 55 Ų | 55 | 151.4 Ų | 151.4 | 57% | 0.567 | 79% | 0.788 | S | S | * | * | cis | 157.7 | 151.7 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 146 | S | 28.1 | Very low | 32.2 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 72.6 | 151.4 | 159.6 | -157 | 0 | 0 | 0 | 0 | 120 | ||||
| 147 | L | 35.3 | Very low | 32.3 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | cis | -169.5 | 161.8 | -30.5 | -97.6 | -178.4 | 0 | 0 | 0 | 107.3 | ||||
| 148 | M | 33.9 | Very low | 32.1 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 64% | 0.635 | 78% | 0.783 | S | S | * | * | cis | -126 | -110.8 | -14 | -165 | 173.3 | 60.7 | 0 | 0 | 110.3 | E150 | M148-E150 HydrophobicContact CE-CB 4.26Å; M148-E150 HydrophobicContact CE-CG 3.92Å; M148-E150 WeakPolarHBondContact CE-OE2 3.41Å | ||
| 149 | S | 31.8 | Very low | 32.2 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | cis | -151.6 | 131.5 | -3.3 | -79.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 150 | E | 30.2 | Very low | 32.2 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | 60.8 | 129.9 | 100.7 | -103.1 | -167.6 | 76.8 | 0 | 0 | 117.5 | M148 | M148-E150 HydrophobicContact CE-CB 4.26Å; M148-E150 HydrophobicContact CE-CG 3.92Å; M148-E150 WeakPolarHBondContact CE-OE2 3.41Å | |||
| 151 | Q | 30.2 | Very low | 32.3 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | cis | -138.5 | 164.5 | 13.8 | -71.6 | 177.8 | -12.9 | 0 | 0 | 113.9 | ||||
| 152 | G | 26.3 | Very low | 32.1 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -94.6 | -147.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 153 | P | 46 | Very low | 32.1 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | cis | -138.5 | 165.6 | 14.7 | 41.9 | -24.2 | 0 | 0 | 0 | 118.2 | ||||
| 154 | Q | 35.2 | Very low | 31.6 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | 29.4 | 151.6 | 140 | -53.4 | -174.5 | 4.8 | 0 | 0 | 122.1 | ||||
| 155 | I | 33.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 128 Ų | 128 | 65% | 0.651 | 73% | 0.728 | S | S | * | * | -170.1 | 136.6 | 66.6 | -87.8 | -175.4 | 0 | 0 | 0 | 111.8 | |||||
| 156 | Q | 31.5 | Very low | 31.5 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | 49.3 | 158.8 | 149.3 | -67.1 | 165 | 11.7 | 0 | 0 | 121.9 | ||||
| 157 | D | 28.3 | Very low | 32.6 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | cis | -170.5 | 170.6 | -22.1 | -178.8 | -152 | 0 | 0 | 0 | 108.6 | ||||
| 158 | V | 29.2 | Very low | 32.2 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | trans | 57.6 | 149.4 | 170 | -66.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 159 | S | 29.3 | Very low | 32.1 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | cis | -163.6 | 156.6 | -15.1 | -106.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 160 | A | 31.5 | Very low | 32.3 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | trans | 62.6 | 115 | 147.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 161 | Q | 32 | Very low | 32.2 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | 60.1 | 115.1 | 130.6 | -63.9 | 178.6 | -17.5 | 0 | 0 | 120.4 | ||||
| 162 | K | 30.1 | Very low | 31.9 | Very low | 169 Ų | 169 | 141 Ų | 141 | 74% | 0.735 | 77% | 0.765 | S | S | * | * | 66.6 | 111 | 83.5 | -85.3 | -175 | 166.1 | -80.9 | 0 | 114.5 | |||||
| 163 | E | 29.5 | Very low | 32 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | 82.6 | 133.1 | 94.6 | -131.5 | 177.1 | 125.6 | 0 | 0 | 111.9 | |||||
| 164 | S | 32.3 | Very low | 31.3 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | cis | -170.6 | 177.5 | 40.5 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 165 | T | 28 | Very low | 31 | Very low | 126 Ų | 126 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 55.8 | 111.8 | 152.7 | 54 | 0 | 0 | 0 | 0 | 124 | ||||
| 166 | D | 29.4 | Very low | 30.9 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | 36.6 | 165.9 | 106.2 | -121 | -139.8 | 0 | 0 | 0 | 122.3 | |||||
| 167 | P | 51.4 | Low | 30.8 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | -135.8 | -176 | -106.1 | 39.7 | -18.6 | 0 | 0 | 0 | 115.7 | |||||
| 168 | S | 27.5 | Very low | 30.7 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | -154.8 | 156.2 | 163.3 | -91.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 169 | K | 31.7 | Very low | 30.7 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | trans | -85.9 | 178 | 176.2 | -59 | 174 | -178.9 | 169.1 | 0 | 109.4 | ||||
| 170 | P | 35.5 | Very low | 31 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | cis | -152.6 | -173.8 | 17 | 45.6 | -24.1 | 0 | 0 | 0 | 119.5 | ||||
| 171 | K | 28.8 | Very low | 31.1 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | 65.4 | 111.1 | 145.1 | -79.6 | 166.6 | -178.7 | 175.2 | 0 | 122.5 | ||||
| 172 | R | 24 | Very low | 31.1 | Very low | 252 Ų | 252 | 148.6 Ų | 148.6 | 95% | 0.951 | 76% | 0.755 | S | S | * | * | 62 | 107.6 | 112 | -166 | -168.7 | -160.7 | -168.2 | 7.8 | 120.1 | |||||
| 173 | G | 27.1 | Very low | 31.5 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -156.5 | 152 | 163 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 174 | R | 32.8 | Very low | 31.8 | Very low | 247 Ų | 247 | 146.5 Ų | 146.5 | 93% | 0.932 | 75% | 0.746 | S | S | * | * | trans | -163.9 | 125.7 | -174.7 | 174.6 | -169.4 | 177.7 | -161.9 | 2.1 | 114.2 | ||||
| 175 | K | 27.4 | Very low | 31.9 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | 178.8 | 138.2 | 145.9 | -100.3 | 170.7 | 179.8 | -178.5 | 0 | 108.3 | ||||
| 176 | K | 32.6 | Very low | 32 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | 77.6 | 137.6 | 66.8 | -152.4 | 176.5 | -177.7 | -171.6 | 0 | 110.2 | |||||
| 177 | K | 29.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 54% | 0.543 | 76% | 0.755 | S | S | . | * | cis | -155.9 | 155.4 | 38.9 | -167 | -158.3 | -179.9 | -161.7 | 0 | 114.3 | E179 | K177-E179 HydrophobicContact CD-CG 3.79Å; K177-E179 WeakPolarHBondContact CE-OE1 3.4Å; K177-E179 HydrophobicContact CG-CG 4.19Å; K177-E179 IonicContact NZ-OE1 2.97Å; K177-E179 PolarHBondContact NZ-OE1 3.03Å | ||
| 178 | G | 25.8 | Very low | 32.1 | Very low | 68 Ų | 68 | 151.7 Ų | 151.7 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -167.1 | 99.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 179 | E | 29.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 149.3 Ų | 149.3 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | 80.4 | 100.6 | 79.4 | -71.6 | 178.3 | 165.9 | 0 | 0 | 110.6 | K177 | K177-E179 HydrophobicContact CD-CG 3.79Å; K177-E179 WeakPolarHBondContact CE-OE1 3.4Å; K177-E179 HydrophobicContact CG-CG 4.19Å; K177-E179 IonicContact NZ-OE1 2.97Å; K177-E179 PolarHBondContact NZ-OE1 3.03Å | |||
| 180 | Q | 35.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | 87 | 138 | 81.9 | -87.8 | 166.6 | -117.8 | 0 | 0 | 109.8 | |||||
| 181 | E | 32.2 | Very low | 33 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -152.2 | 176.8 | 18.5 | -104.9 | 134.3 | -145 | 0 | 0 | 109 | ||||
| 182 | N | 32 | Very low | 33.1 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -175.3 | 172.1 | -26.3 | -177.7 | 30.6 | 0 | 0 | 0 | 110 | ||||
| 183 | E | 40.1 | Very low | 33.9 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 59% | 0.593 | 74% | 0.744 | S | S | * | * | trans | 82.6 | 136.5 | 162.8 | -50.5 | -148.6 | 149.8 | 0 | 0 | 118.5 | ||||
| 184 | K | 36.2 | Very low | 34.9 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | cis | -153.7 | 164.8 | -4.5 | -121.8 | 167.3 | -175 | 146.5 | 0 | 112.5 | ||||
| 185 | D | 33.3 | Very low | 34.8 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -17 | 165.6 | 169.3 | -65.2 | -91.9 | 0 | 0 | 0 | 121.3 | ||||
| 186 | E | 30.6 | Very low | 34.9 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | cis | -144 | -169.7 | 17.1 | -146 | 170.2 | 155.1 | 0 | 0 | 113.6 | ||||
| 187 | D | 36.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 122 Ų | 122 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -101.9 | -148.7 | -155.1 | -154.6 | 25 | 0 | 0 | 0 | 114.1 | ||||
| 188 | P | 45.7 | Very low | 35 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | -133.1 | -167.7 | -128.2 | 44.5 | -23.7 | 0 | 0 | 0 | 115.7 | |||||
| 189 | G | 30.1 | Very low | 35.6 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | 100.6 | 127.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 190 | S | 36.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -78.9 | 159.2 | 166.5 | -41.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 191 | P | 47.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | -150.4 | -166.2 | 87.1 | 36.4 | -15.7 | 0 | 0 | 0 | 115.2 | |||||
| 192 | V | 31.1 | Very low | 36.9 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 85.4 | 154.2 | 166.7 | -32.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 193 | S | 40.7 | Very low | 36.9 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -135.5 | 174.4 | 172.6 | -59 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 194 | P | 47 | Very low | 36.5 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | cis | -144.3 | -166.9 | 15.7 | 43.2 | -22.9 | 0 | 0 | 0 | 116.3 | ||||
| 195 | S | 30.4 | Very low | 36.9 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 89.2 | 146.2 | 150.9 | -151.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 196 | G | 29.9 | Very low | 37.3 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 79.9 | 139.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 197 | G | 30.7 | Very low | 38.3 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | 174.9 | 153.8 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 198 | D | 34.3 | Very low | 38.4 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | 56.8 | 93.8 | 168.7 | -134.6 | -109 | 0 | 0 | 0 | 121.8 | ||||
| 199 | A | 37 | Very low | 38 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | 47.3 | 160.7 | 111.3 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 200 | P | 51.5 | Low | 38.2 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | -126.2 | 175.4 | -170.2 | 42.3 | -28.3 | 0 | 0 | 0 | 115.6 | ||||
| 201 | K | 35.9 | Very low | 38.3 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | 172.5 | 124.7 | 127.3 | -91.9 | 152.1 | -171.5 | 164.2 | 0 | 117.6 | |||||
| 202 | R | 37.3 | Very low | 37.7 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | 58.4 | 141.2 | 124.4 | -58.2 | 171.5 | 85 | -162 | 17.7 | 123.1 | |||||
| 203 | R | 33.1 | Very low | 37.7 | Very low | 215 Ų | 215 | 143.9 Ų | 143.9 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | 68.3 | 135.7 | 155.9 | -66.9 | 165.8 | 170.4 | -174.9 | -5.7 | 116.1 | ||||
| 204 | G | 31.4 | Very low | 37.2 | Very low | 74 Ų | 74 | 145.4 Ų | 145.4 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | cis | 124.1 | 118.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 205 | R | 43.3 | Very low | 36.6 | Very low | 253 Ų | 253 | 146.7 Ų | 146.7 | 96% | 0.955 | 78% | 0.782 | S | S | * | * | trans | -161.1 | 152 | 169.6 | -105.9 | 171.1 | -174.2 | -168 | 0.2 | 112.7 | ||||
| 206 | K | 42.4 | Very low | 36.7 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -121.3 | -179.5 | 157.1 | -78.1 | -167.6 | 178.4 | -172.6 | 0 | 106.1 | ||||
| 207 | P | 52.7 | Low | 36.9 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | -121.1 | -146.2 | 4.3 | 28.6 | -1.8 | 0 | 0 | 0 | 111.2 | ||||
| 208 | K | 36.8 | Very low | 36.8 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -177.7 | 145.6 | 36.2 | -150.7 | -174.3 | -178.6 | -170.3 | 0 | 113.1 | ||||
| 209 | T | 37.1 | Very low | 37.1 | Very low | 109 Ų | 109 | 155.7 Ų | 155.7 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | 53.3 | 163.4 | 145.8 | 47.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 210 | E | 36.1 | Very low | 36.7 | Very low | 170 Ų | 170 | 161 Ų | 161 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | cis | 172.8 | 142.3 | -29.9 | 176.8 | 171 | -161.1 | 0 | 0 | 109.7 | ||||
| 211 | K | 38.5 | Very low | 35.6 | Very low | 200 Ų | 200 | 159 Ų | 159 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | 155.4 | 169.7 | 159.2 | -93.8 | 177.9 | 176.2 | -174.7 | 0 | 110.6 | ||||
| 212 | L | 34.9 | Very low | 35.4 | Very low | 143 Ų | 143 | 157 Ų | 157 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | -172.5 | 162 | -55.7 | -130.3 | 161 | 0 | 0 | 0 | 108.5 | |||||
| 213 | L | 30.2 | Very low | 34.9 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 70.6 | 135 | 178.2 | -58.1 | 166 | 0 | 0 | 0 | 115.5 | ||||
| 214 | L | 31.5 | Very low | 34.9 | Very low | 143 Ų | 143 | 146 Ų | 146 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | cis | 105.1 | 118.8 | 5.8 | -161.9 | 76.8 | 0 | 0 | 0 | 115.9 | ||||
| 215 | L | 33.6 | Very low | 35 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 45.1 | 125.1 | 162.9 | -95.1 | 63 | 0 | 0 | 0 | 120.8 | ||||
| 216 | Q | 32.8 | Very low | 34.7 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | -153.6 | 163.7 | 111.9 | -163 | 52.6 | 48.4 | 0 | 0 | 109.6 | |||||
| 217 | Q | 34.7 | Very low | 34.3 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 66% | 0.659 | 76% | 0.764 | S | S | * | * | trans | -116.5 | 144.9 | -173.6 | 151.2 | -172 | 1.7 | 0 | 0 | 110 | ||||
| 218 | D | 28.4 | Very low | 33.3 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -165.3 | 175 | 132.7 | -125.5 | -51.8 | 0 | 0 | 0 | 115.1 | ||||
| 219 | Q | 40.5 | Very low | 33.1 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -123.5 | -163.2 | -178.3 | -66 | -174.3 | 101.7 | 0 | 0 | 112.7 | ||||
| 220 | H | 29.1 | Very low | 33 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | 75.8 | 147.5 | -169.4 | -57.2 | -98 | 0 | 0 | 0 | 114.6 | ||||
| 221 | G | 28.3 | Very low | 33 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | cis | 161 | 146.4 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 222 | S | 31.1 | Very low | 32.9 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 97% | 0.972 | 75% | 0.75 | S | S | * | * | trans | 61.9 | 159.4 | -175.3 | -68 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 223 | G | 26.5 | Very low | 32.9 | Very low | 58 Ų | 58 | 138.6 Ų | 138.6 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | cis | 159.3 | 154.3 | -8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 224 | S | 33.7 | Very low | 33.2 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 60.9 | 157.5 | 168.5 | 10.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 225 | E | 33.9 | Very low | 33.4 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | cis | -167.5 | 166 | -15.3 | -115.5 | 164.3 | 156.5 | 0 | 0 | 110.1 | ||||
| 226 | M | 35.7 | Very low | 33.6 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 65.4 | 152.7 | 156.1 | -77.8 | -48.5 | -117.2 | 0 | 0 | 120 | ||||
| 227 | E | 33.6 | Very low | 33.6 | Very low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | cis | -141.1 | 148.2 | 2.2 | -83.5 | -137.5 | 77.2 | 0 | 0 | 114.8 | ||||
| 228 | T | 31.9 | Very low | 33.5 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | 54.9 | 148.1 | 140.6 | 63.7 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 229 | N | 33.6 | Very low | 33.9 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 93.3 | 100.9 | 149.3 | -128.8 | 54.7 | 0 | 0 | 0 | 118.3 | ||||
| 230 | E | 34.7 | Very low | 33.3 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | 63 | 137.4 | 75.6 | -102.5 | -145.2 | 83.8 | 0 | 0 | 115.3 | |||||
| 231 | S | 36.7 | Very low | 33.4 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | cis | -142.9 | -177.6 | 16.5 | -49.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 232 | E | 35.1 | Very low | 33.6 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | trans | -69.5 | -174.8 | 172.4 | -56.5 | -172.5 | 87.3 | 0 | 0 | 113.5 | K234 | E232-K234 IonicContact OE1-NZ 3.5Š| ||
| 233 | K | 35.6 | Very low | 33.7 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | cis | -173.1 | 134.2 | 36.9 | -138.4 | -175.9 | -150 | 77.7 | 0 | 116.5 | ||||
| 234 | K | 35.8 | Very low | 34.3 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 60% | 0.6 | 74% | 0.738 | S | S | * | * | trans | 39.3 | 118.1 | 138.6 | -66.2 | 172.6 | -175.3 | 145.5 | 0 | 124 | E232 | E232-K234 IonicContact OE1-NZ 3.5Š| ||
| 235 | R | 36.1 | Very low | 34 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | 81.6 | 129.4 | 115.9 | -71.3 | 178.5 | 171.1 | -174.7 | -3.1 | 124.5 | |||||
| 236 | K | 37.1 | Very low | 33.6 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | 90.2 | 119.1 | 128.3 | -84.6 | -172.7 | 171.7 | -174.4 | 0 | 123.7 | |||||
| 237 | R | 34.1 | Very low | 33.2 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | 80.1 | 139.6 | 128.1 | -75.7 | -177.2 | 172.3 | -176.4 | -6.8 | 122.9 | |||||
| 238 | A | 33 | Very low | 32.9 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | 68.4 | 162.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 239 | A | 35.8 | Very low | 32.9 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -172.3 | 163.6 | -33.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 240 | E | 28.8 | Very low | 32.8 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | 60.4 | 171.8 | 173.1 | -72.9 | 174.8 | 72.8 | 0 | 0 | 115.6 | ||||
| 241 | D | 30.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | cis | -162.4 | -177.3 | -40.8 | -178.7 | -121.3 | 0 | 0 | 0 | 107.5 | ||||
| 242 | K | 31.5 | Very low | 32.3 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | trans | 86.5 | 109.4 | 160.3 | -55.9 | -170.1 | 178.6 | 178.5 | 0 | 120.5 | ||||
| 243 | Q | 33.3 | Very low | 32.1 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -58.4 | 161.9 | 145.8 | -70.2 | -94.9 | -68.9 | 0 | 0 | 111.8 | ||||
| 244 | P | 39.3 | Very low | 31.8 | Very low | 113 Ų | 113 | 154 Ų | 154 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | -156 | 177.3 | 87.3 | 42.8 | -23.1 | 0 | 0 | 0 | 118.1 | |||||
| 245 | S | 27.2 | Very low | 31.5 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 11.4 | 156.1 | 149.2 | 59.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 246 | G | 25.8 | Very low | 31 | Very low | 71 Ų | 71 | 146.7 Ų | 146.7 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | cis | -164.6 | -155.8 | 10.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 247 | E | 27.6 | Very low | 30.7 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | cis | -154.9 | 167.7 | 9.6 | -76.9 | -174.6 | 96.1 | 0 | 0 | 112.4 | ||||
| 248 | E | 28.2 | Very low | 30.4 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 14.5 | 154.4 | 157.7 | -53.7 | -154.1 | 123.2 | 0 | 0 | 125 | K250 | E248-K250 IonicContact OE1-NZ 3.89Å; E248-K250 PolarHBondContact OE1-NZ 2.92Å; E248-K250 WeakPolarHBondContact OE2-CE 3.5Å; E248-K250 IonicContact OE2-NZ 3.47Å; E248-K250 PolarHBondContact OE2-NZ 3.32Å | ||
| 249 | E | 31.3 | Very low | 30.2 | Very low | 145 Ų | 145 | 144 Ų | 144 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | cis | -154.8 | -100.5 | -30.7 | -173.4 | -144.7 | 122.3 | 0 | 0 | 109.1 | R251 | E249-R251 PolarHBondContact OE1-N 3.25Å; E249-R251 VanDerWaalsContact OE1-N 3.11Å | ||
| 250 | K | 30.8 | Very low | 30 | Very low | 105 Ų | 105 | 149 Ų | 149 | 46% | 0.457 | 76% | 0.759 | S | S | . | * | cis | -153.6 | 119 | -16.2 | -142.3 | 140.3 | -154.2 | 85.3 | 0 | 114.4 | E248 | E248-K250 IonicContact OE1-NZ 3.89Å; E248-K250 PolarHBondContact OE1-NZ 2.92Å; E248-K250 WeakPolarHBondContact OE2-CE 3.5Å; E248-K250 IonicContact OE2-NZ 3.47Å; E248-K250 PolarHBondContact OE2-NZ 3.32Å | ||
| 251 | R | 30.7 | Very low | 30 | Very low | 217 Ų | 217 | 147.7 Ų | 147.7 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | trans | 73 | 153.3 | 168.4 | -59.6 | 165.3 | 172.9 | 166.8 | -1.2 | 118.4 | E249 | E249-R251 PolarHBondContact OE1-N 3.25Å; E249-R251 VanDerWaalsContact OE1-N 3.11Å | ||
| 252 | K | 31.6 | Very low | 30 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | cis | -151.8 | -162.9 | 15.8 | -143.6 | 172.5 | -176.7 | 178.3 | 0 | 113.2 | ||||
| 253 | K | 30.9 | Very low | 29.9 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -146.7 | 140.8 | -168.2 | 162.7 | -89.3 | -171.7 | -176.1 | 0 | 115.3 | E255 | K253-E255 IonicContact NZ-OE1 2.6Å; K253-E255 PolarHBondContact NZ-OE1 2.81Å; K253-E255 IonicContact NZ-OE2 3.98Å; K253-E255 PolarHBondContact NZ-OE2 3Å | ||
| 254 | R | 28.1 | Very low | 29.8 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -173.3 | 125.7 | 152.9 | -69.1 | -141.7 | 98.1 | 147.6 | 7.2 | 109.5 | ||||
| 255 | E | 28.9 | Very low | 29.5 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | 77.3 | 125.9 | 67.8 | -69.8 | 169.5 | 142.8 | 0 | 0 | 115.3 | K253 | K253-E255 IonicContact NZ-OE1 2.6Å; K253-E255 PolarHBondContact NZ-OE1 2.81Å; K253-E255 IonicContact NZ-OE2 3.98Å; K253-E255 PolarHBondContact NZ-OE2 3Å | |||
| 256 | G | 26.6 | Very low | 29.6 | Very low | 72 Ų | 72 | 148.2 Ų | 148.2 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | cis | 162.8 | 171.2 | -11.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 257 | S | 31.1 | Very low | 29.8 | Very low | 122 Ų | 122 | 150 Ų | 150 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | 79.3 | 137.5 | 150.9 | -59.3 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 258 | K | 27.8 | Very low | 29.8 | Very low | 215 Ų | 215 | 148.1 Ų | 148.1 | 94% | 0.935 | 75% | 0.75 | S | S | * | * | trans | 68.8 | 142 | 163.5 | -65.8 | -177.7 | 175.8 | -177.8 | 0 | 119.3 | ||||
| 259 | G | 28.4 | Very low | 30 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | cis | 147.4 | 140.8 | -17.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 260 | K | 31.6 | Very low | 30.3 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 67.2 | 122.1 | 170.2 | -71.8 | -167.8 | 169 | -87.7 | 0 | 116.6 | ||||
| 261 | E | 28.8 | Very low | 30.3 | Very low | 163 Ų | 163 | 151.1 Ų | 151.1 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | 83.3 | 121.7 | 67.3 | -78.5 | -178.3 | 138.8 | 0 | 0 | 114.7 | |||||
| 262 | A | 29.8 | Very low | 30.4 | Very low | 110 Ų | 110 | 150 Ų | 150 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -162.8 | 152.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 263 | E | 29.3 | Very low | 30.5 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -128.2 | 160.1 | -174.4 | -170.2 | -162.6 | 114.9 | 0 | 0 | 110.3 | ||||
| 264 | L | 31.6 | Very low | 30.6 | Very low | 127 Ų | 127 | 149.5 Ų | 149.5 | 67% | 0.665 | 78% | 0.776 | S | S | * | * | trans | 137.1 | 127.6 | 137.4 | -72.8 | 162.2 | 0 | 0 | 0 | 116.6 | ||||
| 265 | K | 32.9 | Very low | 30.7 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 53.5 | 134.7 | 134.7 | -71.1 | -176.5 | 176.5 | -90.7 | 0 | 121.4 | ||||
| 266 | E | 29.1 | Very low | 30.7 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | 101 | 119.8 | 38.1 | -179.2 | -166.3 | -171.1 | 0 | 0 | 112.7 | ||||
| 267 | A | 30.7 | Very low | 30.7 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | -171.4 | 152.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 268 | E | 27.1 | Very low | 30.7 | Very low | 146 Ų | 146 | 147 Ų | 147 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | -133.5 | 151.6 | 179.1 | -164.3 | -127.3 | 103.9 | 0 | 0 | 111 | K270 | E268-K270 IonicContact OE1-NZ 2.85Å; E268-K270 PolarHBondContact OE1-NZ 3.47Å; E268-K270 IonicContact OE2-NZ 2.65Å; E268-K270 PolarHBondContact OE2-NZ 3.18Å | ||
| 269 | A | 32.4 | Very low | 30.8 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -164.8 | 157.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 270 | K | 37.5 | Very low | 30.7 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -136.9 | 149.7 | -177.2 | -51.4 | 174.9 | 179.2 | 76.7 | 0 | 112.6 | E268 | E268-K270 IonicContact OE1-NZ 2.85Å; E268-K270 PolarHBondContact OE1-NZ 3.47Å; E268-K270 IonicContact OE2-NZ 2.65Å; E268-K270 PolarHBondContact OE2-NZ 3.18Å | ||
| 271 | K | 30.5 | Very low | 30.6 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | 152.1 | 169.7 | 142.7 | -86.5 | 163.4 | -179.2 | 176.5 | 0 | 113.1 | ||||
| 272 | K | 33.6 | Very low | 30.6 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | -176.3 | 140.7 | -51.3 | -152.3 | -178.8 | -178.5 | 174 | 0 | 111.4 | |||||
| 273 | K | 34.1 | Very low | 30.7 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | 84.5 | 122.5 | 144.5 | -146.9 | -155.8 | -177.3 | -170.8 | 0 | 122.4 | ||||
| 274 | K | 32.5 | Very low | 30.7 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 59.7 | 164.2 | 145.6 | -89.9 | 171.8 | 153 | -77 | 0 | 119.6 | ||||
| 275 | D | 30.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | cis | -147.6 | -173.9 | 6.3 | -131.7 | -34 | 0 | 0 | 0 | 114.7 | ||||
| 276 | N | 29.3 | Very low | 30.4 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -84.6 | 159.7 | -175.8 | -170.5 | 24.5 | 0 | 0 | 0 | 115.7 | ||||
| 277 | G | 27.3 | Very low | 30.8 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 179.3 | 152.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 278 | S | 31.1 | Very low | 30.9 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -144.7 | 147.5 | -170.6 | -179.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 279 | S | 29.7 | Very low | 31.1 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | 167.1 | 150.6 | 158 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 280 | G | 25.8 | Very low | 31.1 | Very low | 63 Ų | 63 | 142.5 Ų | 142.5 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | cis | 159.5 | 147 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 281 | S | 28.3 | Very low | 30.6 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 49.4 | 129.8 | 167.8 | -68.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 282 | D | 30 | Very low | 30.7 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | 79.2 | 132.4 | 59.4 | -48.2 | -38.4 | 0 | 0 | 0 | 112.1 | |||||
| 283 | D | 31 | Very low | 30.9 | Very low | 166 Ų | 166 | 142 Ų | 142 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | cis | -165.4 | -161.5 | -10.7 | -166.1 | -172.5 | 0 | 0 | 0 | 109.1 | ||||
| 284 | D | 30.4 | Very low | 31 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 111.8 | 173.9 | 163.1 | -153.9 | -103.1 | 0 | 0 | 0 | 118.8 | ||||
| 285 | E | 28.6 | Very low | 31.4 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | -143.5 | 169.2 | -124.6 | -157.1 | -100.7 | 109.4 | 0 | 0 | 113.7 | |||||
| 286 | S | 29.9 | Very low | 31.4 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 55% | 0.552 | 77% | 0.772 | S | S | * | * | trans | 73.9 | 154.2 | 157.9 | 97.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 287 | Q | 37.5 | Very low | 31.2 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -142.8 | 149.6 | 1.1 | -62.5 | -170.7 | 11.2 | 0 | 0 | 113.3 | ||||
| 288 | K | 33.1 | Very low | 31.5 | Very low | 191 Ų | 191 | 142 Ų | 142 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | 53 | 149.6 | 139.8 | -81.5 | 165.6 | -177.9 | 153.3 | 0 | 121 | ||||
| 289 | S | 30.4 | Very low | 31.2 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | cis | -158.9 | 148.3 | 28.5 | 101 | 0 | 0 | 0 | 0 | 116 | ||||
| 290 | K | 32.5 | Very low | 31.4 | Very low | 204 Ų | 204 | 143.8 Ų | 143.8 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | 53.6 | 125.4 | 146.7 | -58.7 | 168.6 | -177.6 | 172.6 | 0 | 119.6 | ||||
| 291 | G | 26.8 | Very low | 31.6 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | cis | 154.3 | 175.4 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 292 | R | 33.5 | Very low | 31.8 | Very low | 246 Ų | 246 | 149.7 Ų | 149.7 | 93% | 0.928 | 76% | 0.762 | S | S | * | * | trans | 72.7 | 124.4 | 171.1 | -151.2 | -175.2 | -160.8 | -140.7 | 5.2 | 114.7 | ||||
| 293 | R | 36.6 | Very low | 31.7 | Very low | 229 Ų | 229 | 150.2 Ų | 150.2 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | cis | -161.6 | 173.3 | -6.7 | -111.4 | -165.1 | 171.7 | -167.7 | -1.4 | 106.7 | ||||
| 294 | K | 37.6 | Very low | 31.6 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | cis | 166.1 | 124.1 | -39.7 | 169.9 | 52.2 | 178.9 | 177.6 | 0 | 108.9 | ||||
| 295 | L | 39.7 | Very low | 31.7 | Very low | 125 Ų | 125 | 149 Ų | 149 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | trans | 88.8 | 153.4 | 173.9 | -62.4 | 178.6 | 0 | 0 | 0 | 117.6 | ||||
| 296 | Q | 31 | Very low | 31.7 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | cis | -131.5 | 169.6 | 10.8 | -149.5 | 145.3 | 4.9 | 0 | 0 | 114 | ||||
| 297 | N | 25.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -152.7 | 149.3 | -162.7 | -179.2 | 45.1 | 0 | 0 | 0 | 112.9 | ||||
| 298 | A | 32.8 | Very low | 31.2 | Very low | 77 Ų | 77 | 157 Ų | 157 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | 53.2 | 150.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 299 | E | 26 | Very low | 30.9 | Very low | 196 Ų | 196 | 152.1 Ų | 152.1 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | -151.2 | 163.1 | 127 | -82.7 | -125.9 | 113.2 | 0 | 0 | 108.7 | |||||
| 300 | A | 32.6 | Very low | 30.8 | Very low | 95 Ų | 95 | 155.4 Ų | 155.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -161.5 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 301 | D | 30 | Very low | 30.7 | Very low | 125 Ų | 125 | 153 Ų | 153 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | 93 | 145.5 | 150.6 | -152.1 | -159.8 | 0 | 0 | 0 | 120.5 | ||||
| 302 | K | 33.4 | Very low | 31.6 | Very low | 164 Ų | 164 | 154.5 Ų | 154.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 51.7 | 115.9 | 162.3 | -79.8 | 152 | -162.1 | 144.6 | 0 | 125.1 | ||||
| 303 | D | 28 | Very low | 31.5 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | 60.7 | 157.6 | 104.9 | -147.5 | -12.6 | 0 | 0 | 0 | 121.3 | |||||
| 304 | G | 29.2 | Very low | 31.4 | Very low | 63 Ų | 63 | 150.1 Ų | 150.1 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | trans | 124.4 | 52.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 305 | R | 30.9 | Very low | 31.3 | Very low | 228 Ų | 228 | 145.9 Ų | 145.9 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | 26 | 122.5 | 149.6 | -100.6 | -174 | -76.2 | -124.9 | -5.2 | 122.4 | ||||
| 306 | R | 29.6 | Very low | 31 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | 87.2 | 137.2 | 120.3 | -162.5 | -175.1 | -168.1 | 177.4 | 6.2 | 121.9 | |||||
| 307 | W | 26.3 | Very low | 31.6 | Very low | 188 Ų | 188 | 146 Ų | 146 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | trans | 77.4 | 145.1 | 159.4 | -88.7 | -34.2 | 0 | 0 | 0 | 118.6 | ||||
| 308 | K | 30.1 | Very low | 31.9 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | cis | -163.9 | 155.5 | -6 | -168.2 | 174.4 | -179.5 | -171.5 | 0 | 111.5 | ||||
| 309 | A | 26.7 | Very low | 32 | Very low | 89 Ų | 89 | 152 Ų | 152 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 67.9 | 142.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 310 | D | 28.4 | Very low | 32.5 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | cis | -134.5 | 165.5 | 45.8 | -136.1 | -122.4 | 0 | 0 | 0 | 115.6 | ||||
| 311 | E | 31.2 | Very low | 32.6 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -158.9 | 164.5 | 179.3 | -120.2 | -140.3 | 95.6 | 0 | 0 | 107.9 | ||||
| 312 | P | 45.4 | Very low | 33.2 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | cis | -138.5 | -177.5 | 18.4 | 43.5 | -26.6 | 0 | 0 | 0 | 115.9 | ||||
| 313 | R | 30.8 | Very low | 33.4 | Very low | 237 Ų | 237 | 152.2 Ų | 152.2 | 89% | 0.894 | 76% | 0.756 | S | S | * | * | -171.6 | 103.2 | 125.1 | -161.1 | 160.4 | -172.6 | 154 | 2.3 | 114.3 | |||||
| 314 | E | 34.5 | Very low | 33.8 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | -10.6 | 154.8 | 142.2 | -60.6 | -68.4 | 101.5 | 0 | 0 | 117.9 | ||||
| 315 | A | 35 | Very low | 34.2 | Very low | 73 Ų | 73 | 152.9 Ų | 152.9 | 60% | 0.603 | 75% | 0.752 | S | S | * | * | cis | -166.1 | 173 | -11.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 316 | D | 34.3 | Very low | 34.2 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | cis | -173.7 | 129.2 | 49.8 | -149.4 | -146.6 | 0 | 0 | 0 | 105.2 | ||||
| 317 | K | 42.6 | Very low | 34.8 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 74% | 0.735 | 75% | 0.748 | S | S | * | * | 69.7 | 106.8 | 66.6 | -70.8 | -179.9 | -179.6 | 161.1 | 0 | 116.9 | |||||
| 318 | E | 32.3 | Very low | 35.5 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 94% | 0.935 | 76% | 0.756 | S | S | * | * | trans | -172.7 | 162.9 | 130.2 | -103.4 | -170.3 | 159.6 | 0 | 0 | 106.4 | ||||
| 319 | D | 35.1 | Very low | 36.3 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | -164.4 | -171.8 | -66.3 | -165.5 | -80.6 | 0 | 0 | 0 | 104.1 | |||||
| 320 | V | 36.5 | Very low | 37.6 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | 76.6 | 101.7 | 163.2 | -168.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 321 | K | 35 | Very low | 38.7 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 66.1 | 93.4 | 145.1 | -68.7 | 173.8 | -179.1 | 168.1 | 0 | 120.4 | P323 | K321-P323 WeakPolarHBondContact O-CD 3.44Š| ||
| 322 | K | 41.2 | Very low | 40.4 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64 | 134.3 | 133.4 | -169.3 | -167.5 | -165.8 | -169.6 | 0 | 110.4 | E324 | K322-E324 WeakPolarHBondContact CE-OE2 3.48Å; K322-E324 IonicContact NZ-OE2 3.02Å; K322-E324 PolarHBondContact NZ-OE2 2.8Å |
| 323 | P | 37.5 | Very low | 42.4 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 133.2 | 146.6 | 32.7 | -29.1 | 0 | 0 | 0 | 109.8 | K321 | K321-P323 WeakPolarHBondContact O-CD 3.44Š|
| 324 | E | 36.8 | Very low | 45.2 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 172.1 | 178 | -160.7 | 172.3 | 118 | 0 | 0 | 111.6 | K322 | K322-E324 WeakPolarHBondContact CE-OE2 3.48Å; K322-E324 IonicContact NZ-OE2 3.02Å; K322-E324 PolarHBondContact NZ-OE2 2.8Å |
| 325 | A | 39 | Very low | 47.8 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 68% | 0.683 | S | S | * | * | trans | 63.4 | 52.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 326 | G | 30.5 | Very low | 50.5 | Low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | trans | -102.8 | 103.2 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K328 | G326-K328 VanDerWaalsContact C-N 3.35Å; G326-K328 PolarHBondContact O-N 3.22Å | ||
| 327 | P | 42.1 | Very low | 53.3 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 80% | 0.799 | 65% | 0.654 | S | S | * | * | trans | -64.3 | 102.7 | 166.9 | 27.3 | -31.6 | 0 | 0 | 0 | 106.7 | K329 | P327-K329 PolarHBondContact O-N 3.06Š| ||
| 328 | K | 39.9 | Very low | 55.8 | Low | 198 Ų | 198 | 118.6 Ų | 118.6 | 86% | 0.861 | 62% | 0.619 | S | S | * | * | trans | -55 | 107.3 | 174.8 | -71.2 | -177.2 | 179.5 | -179 | 0 | 106.6 | G326 K330 | G326-K328 VanDerWaalsContact C-N 3.35Å; G326-K328 PolarHBondContact O-N 3.22Å; K328-K330 PolarHBondContact O-N 2.75Å | ||
| 329 | K | 47.1 | Very low | 58.7 | Low | 197 Ų | 197 | 114 Ų | 114 | 86% | 0.857 | 60% | 0.598 | S | S | * | * | trans | -56.6 | 95.9 | 162.9 | -74.4 | -176.4 | 179.5 | 178.6 | 0 | 104.5 | P327 E331 | P327-K329 PolarHBondContact O-N 3.06Å; K329-E331 PolarHBondContact O-N 3.41Å | ||
| 330 | K | 54.8 | Low | 61.6 | Low | 187 Ų | 187 | 111.6 Ų | 111.6 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | trans | -70.6 | 86.4 | -179.4 | -177.9 | -179 | -178 | -179.9 | 0 | 104.7 | K328 M332 | K328-K330 PolarHBondContact O-N 2.75Å; K330-M332 PolarHBondContact O-N 2.78Å | ||
| 331 | E | 51.2 | Low | 64.4 | Low | 180 Ų | 180 | 106.4 Ų | 106.4 | 84% | 0.841 | 55% | 0.549 | S | S | * | . | trans | -48.6 | 111 | -177.3 | -66.7 | -160.7 | 112.2 | 0 | 0 | 107.1 | K329 S333 | K329-E331 PolarHBondContact O-N 3.41Å; E331-S333 PolarHBondContact O-N 2.82Å | ||
| 332 | M | 67.3 | Low | 67.3 | Low | 75 Ų | 75 | 98.1 Ų | 98.1 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | trans | -63.2 | 118.1 | -167.3 | 54.9 | 178.9 | -57.2 | 0 | 0 | 106.9 | K330 T334 K337 K340 | K330-M332 PolarHBondContact O-N 2.78Å; M332-T334 PolarHBondContact O-N 3.48Å; M332-K337 HydrophobicContact CE-CB 4.4Å; M332-K337 HydrophobicContact CE-CG 3.75Å; M332-K337 HydrophobicContact CG-CD 4.21Å; M332-K337 HydrophobicContact CG-CG 3.64Å; M332-K337 VanDerWaalsContact O-CE 3.31Å; M332-K337 WeakPolarHBondContact O-CE 3.49Å; M332-K337 HydrophobicContact SD-CG 3.98Å; M332-K340 HydrophobicContact CE-CB 4.39Å; M332-K340 HydrophobicContact CE-CD 3.98Å | ||
| 333 | S | 87.7 | Confident | 69.8 | Low | 64 Ų | 64 | 92.5 Ų | 92.5 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | trans | -47.2 | 141.3 | -173.7 | 176.7 | 0 | 0 | 0 | 0 | 110 | E331 D335 L336 K337 | E331-S333 PolarHBondContact O-N 2.82Å; S333-D335 CarbonylContact O-C 3.57Å; S333-D335 PolarHBondContact O-N 3.29Å; S333-D335 PolarHBondContact OG-N 2.83Å; S333-L336 CarbonylContact O-C 3.56Å; S333-L336 WeakPolarHBondContact O-CA 3.37Å; S333-L336 WeakPolarHBondContact O-CB 3.37Å; S333-L336 PolarHBondContact O-N 3.37Å; S333-K337 PolarHBondContact O-N 3.01Å | ||
| 334 | T | 88.3 | Confident | 72.5 | Confident | 42 Ų | 42 | 89.6 Ų | 89.6 | 26% | 0.258 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -50.7 | -32.4 | 177 | -47.3 | 0 | 0 | 0 | 0 | 111.4 | M332 K337 L338 | M332-T334 PolarHBondContact O-N 3.48Å; T334-K337 PolarHBondContact O-N 2.82Å; T334-L338 HydrophobicContact CG2-CD1 4.33Å; T334-L338 WeakPolarHBondContact O-CD1 3.05Å; T334-L338 VanDerWaalsContact O-CG 3.25Å; T334-L338 WeakPolarHBondContact O-CG 3.45Å; T334-L338 PolarHBondContact O-N 3.27Å |
| 335 | D | 89.4 | Confident | 75.3 | Confident | 39 Ų | 39 | 82.5 Ų | 82.5 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 170.9 | -153.7 | -97 | 0 | 0 | 0 | 113.3 | S333 L338 Q339 K378 H379 | S333-D335 CarbonylContact O-C 3.57Å; S333-D335 PolarHBondContact O-N 3.29Å; S333-D335 PolarHBondContact OG-N 2.83Å; D335-L338 PolarHBondContact O-N 2.89Å; D335-Q339 PolarHBondContact O-N 3.14Å; D335-Q339 VanDerWaalsContact O-N 3.08Å; D335-K378 VanDerWaalsContact OD2-CD 3.32Å; D335-K378 WeakPolarHBondContact OD2-CD 3.49Å; D335-K378 IonicContact OD2-NZ 2.63Å; D335-H379 PolarHBondContact O-CE1 3.33Å; D335-H379 VanDerWaalsContact O-CE1 3.29Å; D335-H379 PolarHBondContact O-NE2 3.01Å; D335-H379 IonicContact OD1-CE1 2.78Å; D335-H379 IonicContact OD1-NE2 3.6Å; D335-H379 PolarHBondContact OD1-NE2 2.66Å; D335-H379 IonicContact OD2-CD2 3.41Å; D335-H379 IonicContact OD2-NE2 3.06Å; D335-H379 PolarHBondContact OD2-NE2 3.15Å |
| 336 | L | 92.6 | Very high | 77.9 | Confident | 87 Ų | 87 | 83.4 Ų | 83.4 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71 | -32.3 | 175.4 | -69.9 | 170.8 | 0 | 0 | 0 | 112.7 | S333 K340 | S333-L336 CarbonylContact O-C 3.56Å; S333-L336 WeakPolarHBondContact O-CA 3.37Å; S333-L336 WeakPolarHBondContact O-CB 3.37Å; S333-L336 PolarHBondContact O-N 3.37Å; L336-K340 WeakPolarHBondContact O-CB 3.33Å; L336-K340 PolarHBondContact O-N 3.37Å |
| 337 | K | 92.6 | Very high | 80.9 | Confident | 64 Ų | 64 | 85.7 Ų | 85.7 | 28% | 0.278 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 172.5 | -68.1 | -172.1 | 179.4 | -173.1 | 0 | 110.7 | M332 S333 T334 Q339 K340 L341 L369 | M332-K337 HydrophobicContact CE-CB 4.4Å; M332-K337 HydrophobicContact CE-CG 3.75Å; M332-K337 HydrophobicContact CG-CD 4.21Å; M332-K337 HydrophobicContact CG-CG 3.64Å; M332-K337 VanDerWaalsContact O-CE 3.31Å; M332-K337 WeakPolarHBondContact O-CE 3.49Å; M332-K337 HydrophobicContact SD-CG 3.98Å; S333-K337 PolarHBondContact O-N 3.01Å; T334-K337 PolarHBondContact O-N 2.82Å; K337-Q339 VanDerWaalsContact C-N 3.34Å; K337-Q339 PolarHBondContact O-N 2.92Å; K337-K340 PolarHBondContact O-N 3.46Å; K337-L341 WeakPolarHBondContact O-CB 3.42Å; K337-L341 WeakPolarHBondContact O-CD1 3.44Å; K337-L341 VanDerWaalsContact O-CG 3.27Å; K337-L341 WeakPolarHBondContact O-CG 3.49Å; K337-L341 PolarHBondContact O-N 3.34Å; K337-L369 HydrophobicContact CB-CD1 3.84Å; K337-L369 HydrophobicContact CD-CD1 4.18Å; K337-L369 HydrophobicContact CD-CD2 3.5Å; K337-L369 HydrophobicContact CD-CG 4.48Å |
| 338 | L | 94 | Very high | 83.2 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 178.1 | -70 | 165.3 | 0 | 0 | 0 | 112 | T334 D335 L341 H342 V371 H375 L382 | T334-L338 HydrophobicContact CG2-CD1 4.33Å; T334-L338 WeakPolarHBondContact O-CD1 3.05Å; T334-L338 VanDerWaalsContact O-CG 3.25Å; T334-L338 WeakPolarHBondContact O-CG 3.45Å; T334-L338 PolarHBondContact O-N 3.27Å; D335-L338 PolarHBondContact O-N 2.89Å; L338-L341 PolarHBondContact O-N 3.07Å; L338-H342 WeakPolarHBondContact O-CB 3.42Å; L338-H342 PolarHBondContact O-N 3.31Å; L338-V371 HydrophobicContact CD1-CG1 3.95Å; L338-V371 HydrophobicContact CD1-CG2 4.35Å; L338-V371 HydrophobicContact CD2-CG1 4.48Å; L338-V371 HydrophobicContact CD2-CG2 3.88Å; L338-H375 HydrophobicContact CD1-CB 3.76Å; L338-L382 HydrophobicContact CB-CD2 4.42Å; L338-L382 HydrophobicContact CD2-CD2 3.76Å |
| 339 | Q | 94.6 | Very high | 85.6 | Confident | 105 Ų | 105 | 72.4 Ų | 72.4 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175 | -169.2 | -177.8 | 2.9 | 0 | 0 | 112.8 | D335 K337 S343 | D335-Q339 PolarHBondContact O-N 3.14Å; D335-Q339 VanDerWaalsContact O-N 3.08Å; K337-Q339 VanDerWaalsContact C-N 3.34Å; K337-Q339 PolarHBondContact O-N 2.92Å; Q339-S343 PolarHBondContact O-N 3.48Å; Q339-S343 PolarHBondContact O-OG 2.89Å |
| 340 | K | 95.1 | Very high | 87.5 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -52.5 | 173.6 | -179.5 | -178.7 | 179.9 | -69.9 | 0 | 110.3 | M332 L336 K337 H342 S343 E344 | M332-K340 HydrophobicContact CE-CB 4.39Å; M332-K340 HydrophobicContact CE-CD 3.98Å; L336-K340 WeakPolarHBondContact O-CB 3.33Å; L336-K340 PolarHBondContact O-N 3.37Å; K337-K340 PolarHBondContact O-N 3.46Å; K340-H342 PolarHBondContact O-N 3.01Å; K340-S343 CarbonylContact O-C 3.54Å; K340-S343 WeakPolarHBondContact O-CA 3.31Å; K340-S343 VanDerWaalsContact O-CB 3.31Å; K340-S343 WeakPolarHBondContact O-CB 3.37Å; K340-S343 PolarHBondContact O-N 2.86Å; K340-E344 IonicContact NZ-OE2 2.62Å; K340-E344 PolarHBondContact NZ-OE2 2.81Å; K340-E344 PolarHBondContact O-N 3.48Å |
| 341 | L | 95.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.5 | -35.8 | -175.9 | -68 | 163.6 | 0 | 0 | 0 | 112.7 | K337 L338 S343 E344 I345 A362 E365 I366 L369 | K337-L341 WeakPolarHBondContact O-CB 3.42Å; K337-L341 WeakPolarHBondContact O-CD1 3.44Å; K337-L341 VanDerWaalsContact O-CG 3.27Å; K337-L341 WeakPolarHBondContact O-CG 3.49Å; K337-L341 PolarHBondContact O-N 3.34Å; L338-L341 PolarHBondContact O-N 3.07Å; L341-S343 VanDerWaalsContact C-N 3.27Å; L341-S343 PolarHBondContact O-N 3.08Å; L341-E344 WeakPolarHBondContact O-CB 3.39Å; L341-E344 PolarHBondContact O-N 3.46Å; L341-I345 WeakPolarHBondContact O-CB 3.35Å; L341-I345 VanDerWaalsContact O-CG1 3.29Å; L341-I345 WeakPolarHBondContact O-CG1 3.44Å; L341-I345 PolarHBondContact O-N 2.94Å; L341-A362 HydrophobicContact CD2-CB 3.91Å; L341-E365 HydrophobicContact CD1-CB 3.8Å; L341-E365 HydrophobicContact CD1-CG 3.79Å; L341-E365 HydrophobicContact CD2-CB 3.77Å; L341-E365 HydrophobicContact CD2-CG 4.22Å; L341-E365 HydrophobicContact CG-CB 4.45Å; L341-I366 HydrophobicContact CB-CD1 3.88Å; L341-I366 HydrophobicContact CB-CG1 3.73Å; L341-I366 HydrophobicContact CD1-CG1 3.79Å; L341-I366 HydrophobicContact CG-CG1 4.31Å; L341-L369 HydrophobicContact CD1-CD1 3.61Å |
| 342 | H | 95.3 | Very high | 89.8 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.065 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.6 | -39.4 | 169.2 | 179.2 | -136.8 | 0 | 0 | 0 | 112.5 | L338 K340 K346 E381 L382 T385 | L338-H342 WeakPolarHBondContact O-CB 3.42Å; L338-H342 PolarHBondContact O-N 3.31Å; K340-H342 PolarHBondContact O-N 3.01Å; H342-K346 WeakPolarHBondContact NE2-CD 3.28Å; H342-K346 WeakPolarHBondContact O-CB 3.25Å; H342-K346 WeakPolarHBondContact O-CD 3.39Å; H342-K346 WeakPolarHBondContact O-CG 3.31Å; H342-K346 PolarHBondContact O-N 2.96Å; H342-E381 VanDerWaalsContact CE1-CB 3.43Å; H342-E381 WeakPolarHBondContact CE1-CB 3.26Å; H342-E381 IonicContact CE1-OE2 2.72Å; H342-E381 PolarHBondContact CE1-OE2 3.08Å; H342-E381 PolarHBondContact NE2-O 2.9Å; H342-L382 HydrophobicContact CB-CB 4.27Å; H342-L382 HydrophobicContact CB-CD1 3.98Å; H342-T385 PolarHBondContact NE2-OG1 3.44Å |
| 343 | S | 95.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 67 Ų | 67 | 33% | 0.329 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.7 | -44.6 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | Q339 K340 L341 I345 K346 I347 | Q339-S343 PolarHBondContact O-N 3.48Å; Q339-S343 PolarHBondContact O-OG 2.89Å; K340-S343 CarbonylContact O-C 3.54Å; K340-S343 WeakPolarHBondContact O-CA 3.31Å; K340-S343 VanDerWaalsContact O-CB 3.31Å; K340-S343 WeakPolarHBondContact O-CB 3.37Å; K340-S343 PolarHBondContact O-N 2.86Å; L341-S343 VanDerWaalsContact C-N 3.27Å; L341-S343 PolarHBondContact O-N 3.08Å; S343-I345 VanDerWaalsContact C-N 3.31Å; S343-I345 PolarHBondContact O-N 3.43Å; S343-K346 PolarHBondContact O-N 3.26Å; S343-K346 VanDerWaalsContact O-N 3.11Å; S343-I347 VanDerWaalsContact O-CG1 3.31Å; S343-I347 WeakPolarHBondContact O-CG1 3.2Å; S343-I347 PolarHBondContact O-N 2.98Å |
| 344 | E | 94.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 67.3 Ų | 67.3 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -53.3 | -47.2 | 175.5 | -150.2 | 82.2 | -114.4 | 0 | 0 | 111.1 | K340 L341 I347 S348 A362 | K340-E344 IonicContact NZ-OE2 2.62Å; K340-E344 PolarHBondContact NZ-OE2 2.81Å; K340-E344 PolarHBondContact O-N 3.48Å; L341-E344 WeakPolarHBondContact O-CB 3.39Å; L341-E344 PolarHBondContact O-N 3.46Å; E344-I347 PolarHBondContact O-N 3.29Å; E344-S348 VanDerWaalsContact O-CB 3.3Å; E344-S348 WeakPolarHBondContact O-CB 3.28Å; E344-S348 PolarHBondContact O-N 3.5Å; E344-S348 PolarHBondContact O-OG 2.85Å; E344-A362 HydrophobicContact CB-CB 4.19Å; E344-A362 HydrophobicContact CG-CB 4.21Å |
| 345 | I | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 177 | -72.9 | 170 | 0 | 0 | 0 | 111.7 | L341 S343 I347 S348 L349 A362 L363 I366 T385 I389 | L341-I345 WeakPolarHBondContact O-CB 3.35Å; L341-I345 VanDerWaalsContact O-CG1 3.29Å; L341-I345 WeakPolarHBondContact O-CG1 3.44Å; L341-I345 PolarHBondContact O-N 2.94Å; S343-I345 VanDerWaalsContact C-N 3.31Å; S343-I345 PolarHBondContact O-N 3.43Å; I345-I347 VanDerWaalsContact C-N 3.29Å; I345-I347 PolarHBondContact O-N 3.45Å; I345-S348 PolarHBondContact O-N 3.08Å; I345-L349 HydrophobicContact CG2-CD1 4.22Å; I345-L349 WeakPolarHBondContact O-CB 3.26Å; I345-L349 PolarHBondContact O-N 3.48Å; I345-A362 HydrophobicContact CD1-CB 4.17Å; I345-A362 HydrophobicContact CG1-CB 3.65Å; I345-L363 HydrophobicContact CD1-CD2 3.79Å; I345-L363 HydrophobicContact CD1-CG 4.09Å; I345-I366 HydrophobicContact CD1-CD1 3.47Å; I345-I366 VanDerWaalsContact CD1-CD1 3.47Å; I345-T385 HydrophobicContact CG2-CG2 4.3Å; I345-I389 HydrophobicContact CG2-CD1 3.26Å |
| 346 | K | 93.1 | Very high | 90.6 | Very high | 107 Ų | 107 | 68 Ų | 68 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -29.6 | 176.5 | -80.5 | 164.9 | 56.9 | -178.4 | 0 | 113 | H342 S343 T385 | H342-K346 WeakPolarHBondContact NE2-CD 3.28Å; H342-K346 WeakPolarHBondContact O-CB 3.25Å; H342-K346 WeakPolarHBondContact O-CD 3.39Å; H342-K346 WeakPolarHBondContact O-CG 3.31Å; H342-K346 PolarHBondContact O-N 2.96Å; S343-K346 PolarHBondContact O-N 3.26Å; S343-K346 VanDerWaalsContact O-N 3.11Å; K346-T385 HydrophobicContact CG-CG2 4.22Å |
| 347 | I | 93.2 | Very high | 90.7 | Very high | 113 Ų | 113 | 71.5 Ų | 71.5 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -80.2 | -44.1 | 175.2 | -67.4 | 163.2 | 0 | 0 | 0 | 110.3 | S343 E344 I345 L349 K350 | S343-I347 VanDerWaalsContact O-CG1 3.31Å; S343-I347 WeakPolarHBondContact O-CG1 3.2Å; S343-I347 PolarHBondContact O-N 2.98Å; E344-I347 PolarHBondContact O-N 3.29Å; I345-I347 VanDerWaalsContact C-N 3.29Å; I345-I347 PolarHBondContact O-N 3.45Å; I347-L349 VanDerWaalsContact C-N 3.3Å; I347-L349 PolarHBondContact O-N 2.94Å; I347-K350 WeakPolarHBondContact O-CB 3.48Å; I347-K350 PolarHBondContact O-N 3.29Å |
| 348 | S | 91.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 73.8 Ų | 73.8 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.7 | -32.4 | 179.3 | -56 | 0 | 0 | 0 | 0 | 112.6 | E344 I345 P354 D355 K358 | E344-S348 VanDerWaalsContact O-CB 3.3Å; E344-S348 WeakPolarHBondContact O-CB 3.28Å; E344-S348 PolarHBondContact O-N 3.5Å; E344-S348 PolarHBondContact O-OG 2.85Å; I345-S348 PolarHBondContact O-N 3.08Å; S348-P354 CarbonylContact O-C 3.6Å; S348-P354 WeakPolarHBondContact O-CA 3.41Å; S348-D355 PolarHBondContact O-N 2.88Å; S348-K358 WeakPolarHBondContact OG-CB 3.29Å |
| 349 | L | 89.6 | Confident | 90.8 | Very high | 37 Ų | 37 | 73.8 Ų | 73.8 | 19% | 0.194 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 28.4 | 176.1 | -59.6 | -178.9 | 0 | 0 | 0 | 113.3 | I345 I347 C359 I389 F392 I398 | I345-L349 HydrophobicContact CG2-CD1 4.22Å; I345-L349 WeakPolarHBondContact O-CB 3.26Å; I345-L349 PolarHBondContact O-N 3.48Å; I347-L349 VanDerWaalsContact C-N 3.3Å; I347-L349 PolarHBondContact O-N 2.94Å; L349-C359 HydrophobicContact CD2-CB 3.98Å; L349-C359 HydrophobicContact CG-CB 4.23Å; L349-I389 HydrophobicContact CD1-CB 4.47Å; L349-I389 HydrophobicContact CD1-CD1 3.65Å; L349-I389 HydrophobicContact CD1-CG1 3.55Å; L349-I389 HydrophobicContact CD1-CG2 4.13Å; L349-F392 HydrophobicContact CD2-CD2 4.46Å; L349-F392 HydrophobicContact CD2-CE1 4.04Å; L349-F392 HydrophobicContact CD2-CE2 3.96Å; L349-F392 HydrophobicContact CD2-CZ 3.71Å; L349-I398 HydrophobicContact CD2-CD1 4.23Å |
| 350 | K | 87.1 | Confident | 90.8 | Very high | 117 Ų | 117 | 70.2 Ų | 70.2 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | trans | -73.3 | 137 | 176.8 | -169.8 | 169.9 | -176.7 | -75.6 | 0 | 110.3 | I347 D352 N353 | I347-K350 WeakPolarHBondContact O-CB 3.48Å; I347-K350 PolarHBondContact O-N 3.29Å; K350-D352 WeakPolarHBondContact CG-OD2 3.44Å; K350-D352 IonicContact NZ-OD2 2.61Å; K350-D352 PolarHBondContact NZ-OD2 2.86Å; K350-D352 PolarHBondContact O-N 2.81Å; K350-D352 VanDerWaalsContact O-N 3.09Å; K350-N353 CarbonylContact O-C 3.38Å; K350-N353 PolarHBondContact O-N 3.27Å | ||
| 351 | I | 76.4 | Confident | 90.8 | Very high | 164 Ų | 164 | 70.4 Ų | 70.4 | 84% | 0.841 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -34.6 | -167.2 | -61.6 | 172.1 | 0 | 0 | 0 | 112.9 | ||
| 352 | D | 79.3 | Confident | 90.9 | Very high | 106 Ų | 106 | 70.5 Ų | 70.5 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -29.9 | -173 | -36.4 | -86.8 | 0 | 0 | 0 | 113.4 | K350 | K350-D352 WeakPolarHBondContact CG-OD2 3.44Å; K350-D352 IonicContact NZ-OD2 2.61Å; K350-D352 PolarHBondContact NZ-OD2 2.86Å; K350-D352 PolarHBondContact O-N 2.81Å; K350-D352 VanDerWaalsContact O-N 3.09Å |
| 353 | N | 76.3 | Confident | 90.9 | Very high | 138 Ų | 138 | 69.9 Ų | 69.9 | 74% | 0.738 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -158.5 | 95.5 | -178.6 | -82.3 | -81.8 | 0 | 0 | 0 | 109.8 | K350 D355 | K350-N353 CarbonylContact O-C 3.38Å; K350-N353 PolarHBondContact O-N 3.27Å; N353-D355 PolarHBondContact O-N 3.33Å |
| 354 | P | 87.9 | Confident | 90.9 | Very high | 71 Ų | 71 | 72 Ų | 72 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | trans | -79.2 | 110.5 | 179.3 | 29.7 | -33.2 | 0 | 0 | 0 | 112.4 | S348 V356 F392 | S348-P354 CarbonylContact O-C 3.6Å; S348-P354 WeakPolarHBondContact O-CA 3.41Å; P354-V356 PolarHBondContact O-N 3.36Å; P354-F392 HydrophobicContact CB-CZ 4.28Å | ||
| 355 | D | 92.9 | Very high | 91 | Very high | 50 Ų | 50 | 72.7 Ų | 72.7 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | trans | -84.6 | 95.2 | 172.8 | -166.1 | -38.1 | 0 | 0 | 0 | 110.8 | S348 N353 K357 K358 C359 | S348-D355 PolarHBondContact O-N 2.88Å; N353-D355 PolarHBondContact O-N 3.33Å; D355-K357 VanDerWaalsContact C-N 3.31Å; D355-K357 PolarHBondContact O-N 2.84Å; D355-K357 PolarHBondContact OD1-N 3.47Å; D355-K357 VanDerWaalsContact OD1-N 3.14Å; D355-K358 HydrophobicContact CB-CB 4.3Å; D355-K358 PolarHBondContact OD1-N 2.85Å; D355-K358 WeakPolarHBondContact OD2-CD 3.38Å; D355-K358 WeakPolarHBondContact OD2-CG 3.35Å; D355-K358 IonicContact OD2-NZ 2.7Å; D355-K358 PolarHBondContact OD2-NZ 2.78Å; D355-C359 WeakPolarHBondContact O-CB 3.48Å; D355-C359 PolarHBondContact O-N 3.17Å | ||
| 356 | V | 92.4 | Very high | 90.9 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | -179.8 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | P354 L360 I398 | P354-V356 PolarHBondContact O-N 3.36Å; V356-L360 HydrophobicContact CG1-CD1 4.01Å; V356-L360 WeakPolarHBondContact O-CG 3.3Å; V356-L360 PolarHBondContact O-N 3.48Å; V356-I398 HydrophobicContact CB-CD1 4.22Å; V356-I398 HydrophobicContact CG1-CD1 3.83Å; V356-I398 HydrophobicContact CG1-CG1 4.42Å; V356-I398 HydrophobicContact CG2-CD1 4.39Å |
| 357 | K | 93.6 | Very high | 90.9 | Very high | 161 Ų | 161 | 68.4 Ų | 68.4 | 70% | 0.7 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.3 | -53.8 | -175.8 | -68.1 | -172.4 | 177.4 | -175.7 | 0 | 111 | D355 C359 L360 D361 | D355-K357 VanDerWaalsContact C-N 3.31Å; D355-K357 PolarHBondContact O-N 2.84Å; D355-K357 PolarHBondContact OD1-N 3.47Å; D355-K357 VanDerWaalsContact OD1-N 3.14Å; K357-C359 PolarHBondContact O-N 2.88Å; K357-C359 VanDerWaalsContact O-N 3.17Å; K357-L360 WeakPolarHBondContact O-CA 3.44Å; K357-L360 WeakPolarHBondContact O-CB 3.31Å; K357-L360 PolarHBondContact O-N 2.92Å; K357-D361 PolarHBondContact O-N 2.7Å |
| 358 | K | 93.7 | Very high | 90.9 | Very high | 112 Ų | 112 | 67.5 Ų | 67.5 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.2 | -32.8 | 177.7 | -69.5 | -173.6 | -173 | 66.3 | 0 | 112.7 | S348 D355 A362 | S348-K358 WeakPolarHBondContact OG-CB 3.29Å; D355-K358 HydrophobicContact CB-CB 4.3Å; D355-K358 PolarHBondContact OD1-N 2.85Å; D355-K358 WeakPolarHBondContact OD2-CD 3.38Å; D355-K358 WeakPolarHBondContact OD2-CG 3.35Å; D355-K358 IonicContact OD2-NZ 2.7Å; D355-K358 PolarHBondContact OD2-NZ 2.78Å; K358-A362 VanDerWaalsContact O-CB 3.29Å; K358-A362 WeakPolarHBondContact O-CB 3.16Å; K358-A362 PolarHBondContact O-N 3.38Å |
| 359 | C | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | L349 D355 K357 L363 I398 | L349-C359 HydrophobicContact CD2-CB 3.98Å; L349-C359 HydrophobicContact CG-CB 4.23Å; D355-C359 WeakPolarHBondContact O-CB 3.48Å; D355-C359 PolarHBondContact O-N 3.17Å; K357-C359 PolarHBondContact O-N 2.88Å; K357-C359 VanDerWaalsContact O-N 3.17Å; C359-L363 WeakPolarHBondContact O-CB 3.49Å; C359-L363 WeakPolarHBondContact O-CD1 3.45Å; C359-L363 WeakPolarHBondContact O-CG 3.31Å; C359-L363 PolarHBondContact O-N 3.5Å; C359-I398 HydrophobicContact CB-CD1 3.75Å |
| 360 | L | 94.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 75 Ų | 75 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 175.7 | -74.5 | 170.5 | 0 | 0 | 0 | 112.5 | V356 K357 L363 D364 D397 I398 K401 | V356-L360 HydrophobicContact CG1-CD1 4.01Å; V356-L360 WeakPolarHBondContact O-CG 3.3Å; V356-L360 PolarHBondContact O-N 3.48Å; K357-L360 WeakPolarHBondContact O-CA 3.44Å; K357-L360 WeakPolarHBondContact O-CB 3.31Å; K357-L360 PolarHBondContact O-N 2.92Å; L360-L363 PolarHBondContact O-N 2.99Å; L360-D364 PolarHBondContact O-N 2.79Å; L360-D364 VanDerWaalsContact O-N 3.07Å; L360-D397 HydrophobicContact CD1-CB 4.15Å; L360-D397 HydrophobicContact CD2-CB 3.83Å; L360-I398 HydrophobicContact CD1-CG1 4.45Å; L360-I398 HydrophobicContact CD2-CB 4.45Å; L360-I398 HydrophobicContact CD2-CG1 3.59Å; L360-I398 HydrophobicContact CG-CD1 4.36Å; L360-I398 HydrophobicContact CG-CG1 3.67Å; L360-K401 HydrophobicContact CD2-CD 3.64Å; L360-K401 PolarHBondContact O-NZ 2.98Å |
| 361 | D | 96.1 | Very high | 90.9 | Very high | 99 Ų | 99 | 69.9 Ų | 69.9 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 177.6 | -57.4 | -31.6 | 0 | 0 | 0 | 110.8 | K357 L363 D364 E365 | K357-D361 PolarHBondContact O-N 2.7Å; D361-L363 VanDerWaalsContact C-N 3.26Å; D361-L363 PolarHBondContact O-N 3Å; D361-D364 PolarHBondContact O-N 2.83Å; D361-D364 VanDerWaalsContact O-N 3.07Å; D361-E365 PolarHBondContact O-N 3.4Å |
| 362 | A | 96.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.4 | -28.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L341 E344 I345 K358 I366 | L341-A362 HydrophobicContact CD2-CB 3.91Å; E344-A362 HydrophobicContact CB-CB 4.19Å; E344-A362 HydrophobicContact CG-CB 4.21Å; I345-A362 HydrophobicContact CD1-CB 4.17Å; I345-A362 HydrophobicContact CG1-CB 3.65Å; K358-A362 VanDerWaalsContact O-CB 3.29Å; K358-A362 WeakPolarHBondContact O-CB 3.16Å; K358-A362 PolarHBondContact O-N 3.38Å; A362-I366 VanDerWaalsContact O-CG1 3.31Å; A362-I366 WeakPolarHBondContact O-CG1 3.38Å; A362-I366 PolarHBondContact O-N 2.83Å; A362-I366 VanDerWaalsContact O-N 3.15Å |
| 363 | L | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71 | -35.1 | 171.2 | -70.9 | 167 | 0 | 0 | 0 | 112 | I345 C359 L360 D361 I366 G367 L386 I398 K401 L405 | I345-L363 HydrophobicContact CD1-CD2 3.79Å; I345-L363 HydrophobicContact CD1-CG 4.09Å; C359-L363 WeakPolarHBondContact O-CB 3.49Å; C359-L363 WeakPolarHBondContact O-CD1 3.45Å; C359-L363 WeakPolarHBondContact O-CG 3.31Å; C359-L363 PolarHBondContact O-N 3.5Å; L360-L363 PolarHBondContact O-N 2.99Å; D361-L363 VanDerWaalsContact C-N 3.26Å; D361-L363 PolarHBondContact O-N 3Å; L363-I366 PolarHBondContact O-N 2.78Å; L363-G367 PolarHBondContact O-N 2.92Å; L363-L386 HydrophobicContact CD2-CD2 3.43Å; L363-L386 VanDerWaalsContact CD2-CD2 3.43Å; L363-I398 HydrophobicContact CD1-CG2 4.43Å; L363-K401 HydrophobicContact CB-CD 3.89Å; L363-K401 HydrophobicContact CB-CG 4.11Å; L363-K401 HydrophobicContact CD1-CD 4.44Å; L363-L405 HydrophobicContact CB-CD1 3.91Å; L363-L405 HydrophobicContact CD2-CD1 3.72Å; L363-L405 HydrophobicContact CG-CD1 4.4Å; L363-L405 VanDerWaalsContact O-CD1 3.31Å; L363-L405 WeakPolarHBondContact O-CD1 3.29Å |
| 364 | D | 95.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 172 | -87.1 | -25.2 | 0 | 0 | 0 | 112.9 | L360 D361 I366 G367 S368 K401 | L360-D364 PolarHBondContact O-N 2.79Å; L360-D364 VanDerWaalsContact O-N 3.07Å; D361-D364 PolarHBondContact O-N 2.83Å; D361-D364 VanDerWaalsContact O-N 3.07Å; D364-I366 VanDerWaalsContact C-N 3.31Å; D364-I366 PolarHBondContact O-N 3.49Å; D364-G367 WeakPolarHBondContact O-CA 3.3Å; D364-G367 PolarHBondContact O-N 3.3Å; D364-S368 WeakPolarHBondContact O-CB 3.37Å; D364-S368 PolarHBondContact O-N 2.86Å; D364-S368 PolarHBondContact O-OG 2.98Å; D364-K401 WeakPolarHBondContact OD1-CE 3.39Å; D364-K401 IonicContact OD1-NZ 2.68Å; D364-K401 PolarHBondContact OD1-NZ 3.07Å; D364-K401 VanDerWaalsContact OD1-NZ 3.14Å; D364-K401 WeakPolarHBondContact OD2-CE 3.45Å; D364-K401 IonicContact OD2-NZ 2.68Å; D364-K401 PolarHBondContact OD2-NZ 3.25Å |
| 365 | E | 95.8 | Very high | 92.6 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 35% | 0.346 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.3 | -158.5 | -174.5 | 144.5 | 0 | 0 | 110.1 | L341 D361 G367 S368 L369 | L341-E365 HydrophobicContact CD1-CB 3.8Å; L341-E365 HydrophobicContact CD1-CG 3.79Å; L341-E365 HydrophobicContact CD2-CB 3.77Å; L341-E365 HydrophobicContact CD2-CG 4.22Å; L341-E365 HydrophobicContact CG-CB 4.45Å; D361-E365 PolarHBondContact O-N 3.4Å; E365-G367 VanDerWaalsContact C-N 3.31Å; E365-G367 PolarHBondContact O-N 3.37Å; E365-S368 PolarHBondContact O-OG 3.24Å; E365-S368 VanDerWaalsContact O-OG 3.1Å; E365-L369 HydrophobicContact CG-CD1 4.48Å; E365-L369 WeakPolarHBondContact O-CB 3.44Å; E365-L369 WeakPolarHBondContact O-CD1 2.86Å; E365-L369 WeakPolarHBondContact O-CG 3.46Å; E365-L369 PolarHBondContact O-N 2.88Å; E365-L369 VanDerWaalsContact O-N 3.1Å |
| 366 | I | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 170.4 | -70.5 | 175.2 | 0 | 0 | 0 | 112.5 | L341 I345 A362 L363 D364 L382 L405 F409 | L341-I366 HydrophobicContact CB-CD1 3.88Å; L341-I366 HydrophobicContact CB-CG1 3.73Å; L341-I366 HydrophobicContact CD1-CG1 3.79Å; L341-I366 HydrophobicContact CG-CG1 4.31Å; I345-I366 HydrophobicContact CD1-CD1 3.47Å; I345-I366 VanDerWaalsContact CD1-CD1 3.47Å; A362-I366 VanDerWaalsContact O-CG1 3.31Å; A362-I366 WeakPolarHBondContact O-CG1 3.38Å; A362-I366 PolarHBondContact O-N 2.83Å; A362-I366 VanDerWaalsContact O-N 3.15Å; L363-I366 PolarHBondContact O-N 2.78Å; D364-I366 VanDerWaalsContact C-N 3.31Å; D364-I366 PolarHBondContact O-N 3.49Å; I366-L382 HydrophobicContact CD1-CD1 3.75Å; I366-L382 HydrophobicContact CD1-CD2 4.01Å; I366-L382 HydrophobicContact CD1-CG 4.45Å; I366-L405 HydrophobicContact CG2-CD1 4.31Å; I366-L405 HydrophobicContact CG2-CD2 4.46Å; I366-F409 HydrophobicContact CG2-CE2 3.69Å; I366-F409 HydrophobicContact CG2-CZ 3.59Å |
| 367 | G | 92.2 | Very high | 92.3 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.1 | -38.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L363 D364 E365 L405 K408 | L363-G367 PolarHBondContact O-N 2.92Å; D364-G367 WeakPolarHBondContact O-CA 3.3Å; D364-G367 PolarHBondContact O-N 3.3Å; E365-G367 VanDerWaalsContact C-N 3.31Å; E365-G367 PolarHBondContact O-N 3.37Å; G367-L405 VanDerWaalsContact CA-CD2 3.41Å; G367-K408 PolarHBondContact O-NZ 2.95Å |
| 368 | S | 92.8 | Very high | 92.1 | Very high | 93 Ų | 93 | 57.8 Ų | 57.8 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -80.5 | -24 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | D364 E365 | D364-S368 WeakPolarHBondContact O-CB 3.37Å; D364-S368 PolarHBondContact O-N 2.86Å; D364-S368 PolarHBondContact O-OG 2.98Å; E365-S368 PolarHBondContact O-OG 3.24Å; E365-S368 VanDerWaalsContact O-OG 3.1Å |
| 369 | L | 91.4 | Very high | 92 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -63.7 | 139.4 | 175.5 | -78.4 | 166.9 | 0 | 0 | 0 | 112.8 | K337 L341 E365 V371 | K337-L369 HydrophobicContact CB-CD1 3.84Å; K337-L369 HydrophobicContact CD-CD1 4.18Å; K337-L369 HydrophobicContact CD-CD2 3.5Å; K337-L369 HydrophobicContact CD-CG 4.48Å; L341-L369 HydrophobicContact CD1-CD1 3.61Å; E365-L369 HydrophobicContact CG-CD1 4.48Å; E365-L369 WeakPolarHBondContact O-CB 3.44Å; E365-L369 WeakPolarHBondContact O-CD1 2.86Å; E365-L369 WeakPolarHBondContact O-CG 3.46Å; E365-L369 PolarHBondContact O-N 2.88Å; E365-L369 VanDerWaalsContact O-N 3.1Å; L369-V371 HydrophobicContact CB-CG2 3.91Å; L369-V371 PolarHBondContact O-N 3.16Å |
| 370 | Q | 87.8 | Confident | 91.9 | Very high | 177 Ų | 177 | 57.1 Ų | 57.1 | 83% | 0.827 | 30% | 0.302 | S | S | * | . | trans | -76.3 | 75.1 | 171.2 | -69.2 | -174.2 | -9.9 | 0 | 0 | 110.5 | ||||
| 371 | V | 89.1 | Confident | 91.9 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | trans | -82.2 | 130.2 | 178.5 | -168.8 | 0 | 0 | 0 | 0 | 110.3 | L338 L369 H375 L376 F409 | L338-V371 HydrophobicContact CD1-CG1 3.95Å; L338-V371 HydrophobicContact CD1-CG2 4.35Å; L338-V371 HydrophobicContact CD2-CG1 4.48Å; L338-V371 HydrophobicContact CD2-CG2 3.88Å; L369-V371 HydrophobicContact CB-CG2 3.91Å; L369-V371 PolarHBondContact O-N 3.16Å; V371-H375 HydrophobicContact CG1-CB 3.86Å; V371-L376 HydrophobicContact CG1-CD2 3.38Å; V371-L376 HydrophobicContact CG1-CG 3.83Å; V371-F409 HydrophobicContact CB-CE1 3.98Å; V371-F409 HydrophobicContact CG1-CE1 4.25Å; V371-F409 HydrophobicContact CG2-CE1 4.17Å; V371-F409 HydrophobicContact CG2-CZ 4.29Å | ||
| 372 | T | 89.3 | Confident | 91.7 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | trans | -107.1 | 163.5 | 176.2 | 73.6 | 0 | 0 | 0 | 0 | 111.7 | Q374 H375 L376 | T372-Q374 PolarHBondContact O-N 3.4Å; T372-Q374 VanDerWaalsContact O-N 3.14Å; T372-H375 WeakPolarHBondContact O-CA 3.44Å; T372-H375 WeakPolarHBondContact O-CB 3.09Å; T372-H375 PolarHBondContact O-N 3.31Å; T372-H375 PolarHBondContact OG1-ND1 3.42Å; T372-L376 PolarHBondContact O-N 2.98Å; T372-L376 VanDerWaalsContact O-N 3.12Å | ||
| 373 | T | 87.9 | Confident | 91.6 | Very high | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -52.7 | -37.5 | -179.4 | -47.9 | 0 | 0 | 0 | 0 | 113.2 | L376 Q377 F413 | T373-L376 PolarHBondContact O-N 3.27Å; T373-Q377 WeakPolarHBondContact O-CG 3.32Å; T373-Q377 PolarHBondContact O-N 3.08Å; T373-F413 HydrophobicContact CG2-CD1 4.11Å; T373-F413 HydrophobicContact CG2-CE1 4.26Å |
| 374 | Q | 88.2 | Confident | 91.6 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 176.6 | -48.9 | -170.5 | 2.3 | 0 | 0 | 113 | T372 L376 Q377 K378 E417 | T372-Q374 PolarHBondContact O-N 3.4Å; T372-Q374 VanDerWaalsContact O-N 3.14Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-Q377 PolarHBondContact O-N 3.11Å; Q374-K378 WeakPolarHBondContact O-CG 3.49Å; Q374-K378 PolarHBondContact O-N 2.91Å; Q374-K378 VanDerWaalsContact O-N 3.16Å; Q374-E417 WeakPolarHBondContact CG-OE1 3.44Å; Q374-E417 PolarHBondContact NE2-OE1 2.78Å; Q374-E417 VanDerWaalsContact NE2-OE1 3.08Å |
| 375 | H | 89.9 | Confident | 91.6 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 17% | 0.171 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 173.1 | -66.1 | 96.2 | 0 | 0 | 0 | 110.4 | L338 V371 T372 Q377 K378 H379 | L338-H375 HydrophobicContact CD1-CB 3.76Å; V371-H375 HydrophobicContact CG1-CB 3.86Å; T372-H375 WeakPolarHBondContact O-CA 3.44Å; T372-H375 WeakPolarHBondContact O-CB 3.09Å; T372-H375 PolarHBondContact O-N 3.31Å; T372-H375 PolarHBondContact OG1-ND1 3.42Å; H375-Q377 VanDerWaalsContact C-N 3.35Å; H375-Q377 PolarHBondContact O-N 3.47Å; H375-K378 PolarHBondContact O-N 3.24Å; H375-H379 WeakPolarHBondContact O-CB 3.03Å; H375-H379 PolarHBondContact O-CD2 3.14Å; H375-H379 VanDerWaalsContact O-CD2 3.23Å; H375-H379 PolarHBondContact O-N 3.1Å |
| 376 | L | 89 | Confident | 91.5 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 177.5 | -58.8 | -179.5 | 0 | 0 | 0 | 113.5 | V371 T372 T373 Q374 H379 S380 I383 F409 M412 F413 | V371-L376 HydrophobicContact CG1-CD2 3.38Å; V371-L376 HydrophobicContact CG1-CG 3.83Å; T372-L376 PolarHBondContact O-N 2.98Å; T372-L376 VanDerWaalsContact O-N 3.12Å; T373-L376 PolarHBondContact O-N 3.27Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; L376-H379 CarbonylContact O-C 3.55Å; L376-S380 PolarHBondContact O-N 3.06Å; L376-I383 HydrophobicContact CD2-CD1 4.1Å; L376-F409 HydrophobicContact CD1-CB 3.76Å; L376-F409 HydrophobicContact CD1-CD1 3.81Å; L376-F409 HydrophobicContact CD1-CG 4.02Å; L376-F409 HydrophobicContact CD2-CB 4.24Å; L376-F409 HydrophobicContact CD2-CD1 3.7Å; L376-F409 HydrophobicContact CD2-CD2 4.21Å; L376-F409 HydrophobicContact CD2-CE1 4.05Å; L376-F409 HydrophobicContact CD2-CG 3.79Å; L376-F409 HydrophobicContact CD2-CZ 4.45Å; L376-F409 HydrophobicContact CG-CD1 4.36Å; L376-M412 HydrophobicContact CD1-CB 4.14Å; L376-M412 HydrophobicContact CD1-SD 3.79Å; L376-F413 HydrophobicContact CB-CD2 4.43Å; L376-F413 HydrophobicContact CB-CE2 3.52Å; L376-F413 HydrophobicContact CB-CZ 3.7Å; L376-F413 HydrophobicContact CD1-CD2 4.19Å; L376-F413 HydrophobicContact CD1-CE2 4.05Å; L376-F413 HydrophobicContact CG-CE2 4.43Å |
| 377 | Q | 89.4 | Confident | 91.6 | Very high | 114 Ų | 114 | 59.7 Ų | 59.7 | 53% | 0.533 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 174.2 | -74.3 | 170.3 | 1.7 | 0 | 0 | 111.6 | T373 Q374 H375 F413 | T373-Q377 WeakPolarHBondContact O-CG 3.32Å; T373-Q377 PolarHBondContact O-N 3.08Å; Q374-Q377 PolarHBondContact O-N 3.11Å; H375-Q377 VanDerWaalsContact C-N 3.35Å; H375-Q377 PolarHBondContact O-N 3.47Å; Q377-F413 HydrophobicContact CG-CE1 3.67Å; Q377-F413 HydrophobicContact CG-CZ 4.03Å |
| 378 | K | 90.6 | Very high | 91.7 | Very high | 139 Ų | 139 | 66.5 Ų | 66.5 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.2 | -53.8 | 174.3 | -68.5 | 173.9 | -178.6 | 178.9 | 0 | 111.5 | D335 Q374 H375 S380 | D335-K378 VanDerWaalsContact OD2-CD 3.32Å; D335-K378 WeakPolarHBondContact OD2-CD 3.49Å; D335-K378 IonicContact OD2-NZ 2.63Å; Q374-K378 WeakPolarHBondContact O-CG 3.49Å; Q374-K378 PolarHBondContact O-N 2.91Å; Q374-K378 VanDerWaalsContact O-N 3.16Å; H375-K378 PolarHBondContact O-N 3.24Å; K378-S380 PolarHBondContact O-N 3.48Å |
| 379 | H | 91.7 | Very high | 91.7 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 43.8 | -175.3 | -62.6 | -74.6 | 0 | 0 | 0 | 112.5 | D335 H375 L376 E381 L382 | D335-H379 PolarHBondContact O-CE1 3.33Å; D335-H379 VanDerWaalsContact O-CE1 3.29Å; D335-H379 PolarHBondContact O-NE2 3.01Å; D335-H379 IonicContact OD1-CE1 2.78Å; D335-H379 IonicContact OD1-NE2 3.6Å; D335-H379 PolarHBondContact OD1-NE2 2.66Å; D335-H379 IonicContact OD2-CD2 3.41Å; D335-H379 IonicContact OD2-NE2 3.06Å; D335-H379 PolarHBondContact OD2-NE2 3.15Å; H375-H379 WeakPolarHBondContact O-CB 3.03Å; H375-H379 PolarHBondContact O-CD2 3.14Å; H375-H379 VanDerWaalsContact O-CD2 3.23Å; H375-H379 PolarHBondContact O-N 3.1Å; L376-H379 CarbonylContact O-C 3.55Å; H379-E381 PolarHBondContact O-N 2.83Å; H379-L382 HydrophobicContact CB-CB 4.34Å; H379-L382 WeakPolarHBondContact O-CB 3.29Å; H379-L382 PolarHBondContact O-N 3.14Å |
| 380 | S | 92.4 | Very high | 91.9 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -27.7 | -178.9 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | L376 K378 L382 I383 A384 | L376-S380 PolarHBondContact O-N 3.06Å; K378-S380 PolarHBondContact O-N 3.48Å; S380-L382 VanDerWaalsContact C-N 3.3Å; S380-L382 PolarHBondContact O-N 3.22Å; S380-I383 PolarHBondContact O-N 3.39Å; S380-A384 PolarHBondContact O-N 2.74Å |
| 381 | E | 94.1 | Very high | 92.2 | Very high | 122 Ų | 122 | 65.3 Ų | 65.3 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63 | -33.6 | 171.5 | -70.2 | -161.2 | -166.2 | 0 | 0 | 113.2 | H342 H379 A384 T385 | H342-E381 VanDerWaalsContact CE1-CB 3.43Å; H342-E381 WeakPolarHBondContact CE1-CB 3.26Å; H342-E381 IonicContact CE1-OE2 2.72Å; H342-E381 PolarHBondContact CE1-OE2 3.08Å; H342-E381 PolarHBondContact NE2-O 2.9Å; H379-E381 PolarHBondContact O-N 2.83Å; E381-A384 PolarHBondContact O-N 2.86Å; E381-T385 VanDerWaalsContact O-CB 3.31Å; E381-T385 WeakPolarHBondContact O-CB 3.16Å; E381-T385 PolarHBondContact O-N 2.91Å; E381-T385 PolarHBondContact O-OG1 2.99Å |
| 382 | L | 93.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 176.1 | 173.8 | 60.1 | 0 | 0 | 0 | 110.3 | L338 H342 I366 H379 S380 A384 T385 L386 | L338-L382 HydrophobicContact CB-CD2 4.42Å; L338-L382 HydrophobicContact CD2-CD2 3.76Å; H342-L382 HydrophobicContact CB-CB 4.27Å; H342-L382 HydrophobicContact CB-CD1 3.98Å; I366-L382 HydrophobicContact CD1-CD1 3.75Å; I366-L382 HydrophobicContact CD1-CD2 4.01Å; I366-L382 HydrophobicContact CD1-CG 4.45Å; H379-L382 HydrophobicContact CB-CB 4.34Å; H379-L382 WeakPolarHBondContact O-CB 3.29Å; H379-L382 PolarHBondContact O-N 3.14Å; S380-L382 VanDerWaalsContact C-N 3.3Å; S380-L382 PolarHBondContact O-N 3.22Å; L382-A384 PolarHBondContact O-N 3.05Å; L382-T385 WeakPolarHBondContact O-CB 3.45Å; L382-T385 PolarHBondContact O-N 2.92Å; L382-T385 VanDerWaalsContact O-N 3.11Å; L382-L386 HydrophobicContact CD1-CD1 4.37Å; L382-L386 HydrophobicContact CD1-CG 4.25Å; L382-L386 HydrophobicContact CG-CD1 4.24Å; L382-L386 WeakPolarHBondContact O-CG 3.15Å; L382-L386 PolarHBondContact O-N 3.31Å |
| 383 | I | 93.6 | Very high | 92.4 | Very high | 28 Ų | 28 | 73.1 Ų | 73.1 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 173.7 | -62.6 | -54.1 | 0 | 0 | 0 | 111.6 | L376 S380 T385 L386 K387 Y406 F409 | L376-I383 HydrophobicContact CD2-CD1 4.1Å; S380-I383 PolarHBondContact O-N 3.39Å; I383-T385 PolarHBondContact O-N 3.36Å; I383-L386 HydrophobicContact CD1-CD1 4.25Å; I383-K387 WeakPolarHBondContact O-CB 3.26Å; I383-K387 PolarHBondContact O-N 3.2Å; I383-Y406 HydrophobicContact CG2-CD2 4.26Å; I383-Y406 HydrophobicContact CG2-CE2 3.86Å; I383-F409 HydrophobicContact CD1-CB 3.68Å; I383-F409 HydrophobicContact CD1-CD2 3.48Å; I383-F409 VanDerWaalsContact CD1-CD2 3.48Å; I383-F409 HydrophobicContact CD1-CE2 4.42Å; I383-F409 HydrophobicContact CD1-CG 3.88Å |
| 384 | A | 95.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 75.8 Ų | 75.8 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -30.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S380 E381 L382 K388 | S380-A384 PolarHBondContact O-N 2.74Å; E381-A384 PolarHBondContact O-N 2.86Å; L382-A384 PolarHBondContact O-N 3.05Å; A384-K388 WeakPolarHBondContact O-CG 3.47Å; A384-K388 PolarHBondContact O-N 2.88Å |
| 385 | T | 94.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 71.4 Ų | 71.4 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -76.2 | -50.2 | 178.6 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | H342 I345 K346 E381 L382 I383 K387 K388 I389 | H342-T385 PolarHBondContact NE2-OG1 3.44Å; I345-T385 HydrophobicContact CG2-CG2 4.3Å; K346-T385 HydrophobicContact CG-CG2 4.22Å; E381-T385 VanDerWaalsContact O-CB 3.31Å; E381-T385 WeakPolarHBondContact O-CB 3.16Å; E381-T385 PolarHBondContact O-N 2.91Å; E381-T385 PolarHBondContact O-OG1 2.99Å; L382-T385 WeakPolarHBondContact O-CB 3.45Å; L382-T385 PolarHBondContact O-N 2.92Å; L382-T385 VanDerWaalsContact O-N 3.11Å; I383-T385 PolarHBondContact O-N 3.36Å; T385-K387 PolarHBondContact O-N 3.47Å; T385-K388 WeakPolarHBondContact O-CA 3.15Å; T385-K388 WeakPolarHBondContact O-CB 3.38Å; T385-K388 PolarHBondContact O-N 2.96Å; T385-I389 HydrophobicContact CG2-CD1 3.9Å; T385-I389 VanDerWaalsContact O-CG1 3.32Å; T385-I389 WeakPolarHBondContact O-CG1 3.03Å; T385-I389 PolarHBondContact O-N 2.97Å |
| 386 | L | 94.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -51.8 | -43.9 | 170.5 | -70.2 | 168.2 | 0 | 0 | 0 | 111.3 | L363 L382 I383 K388 I389 R390 A402 F409 | L363-L386 HydrophobicContact CD2-CD2 3.43Å; L363-L386 VanDerWaalsContact CD2-CD2 3.43Å; L382-L386 HydrophobicContact CD1-CD1 4.37Å; L382-L386 HydrophobicContact CD1-CG 4.25Å; L382-L386 HydrophobicContact CG-CD1 4.24Å; L382-L386 WeakPolarHBondContact O-CG 3.15Å; L382-L386 PolarHBondContact O-N 3.31Å; I383-L386 HydrophobicContact CD1-CD1 4.25Å; L386-K388 PolarHBondContact O-N 2.9Å; L386-I389 PolarHBondContact O-N 3.39Å; L386-R390 WeakPolarHBondContact O-CG 3.33Å; L386-R390 PolarHBondContact O-N 2.87Å; L386-A402 HydrophobicContact CD2-CB 4.27Å; L386-F409 HydrophobicContact CD1-CD2 3.81Å; L386-F409 HydrophobicContact CD1-CE2 3.75Å |
| 387 | K | 95.3 | Very high | 93.2 | Very high | 127 Ų | 127 | 79.1 Ų | 79.1 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.7 | -26.4 | 176.6 | -166.9 | 177 | 179.6 | 179.5 | 0 | 114.4 | I383 T385 Y406 | I383-K387 WeakPolarHBondContact O-CB 3.26Å; I383-K387 PolarHBondContact O-N 3.2Å; T385-K387 PolarHBondContact O-N 3.47Å; K387-Y406 HydrophobicContact CB-CD2 4.06Å; K387-Y406 HydrophobicContact CB-CE2 3.69Å; K387-Y406 HydrophobicContact CD-CE2 4.05Å; K387-Y406 HydrophobicContact CG-CE2 3.92Å |
| 388 | K | 94.2 | Very high | 93.4 | Very high | 159 Ų | 159 | 73.7 Ų | 73.7 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -79.5 | -41.9 | 171.2 | -67.9 | 172.7 | -178.8 | 179.8 | 0 | 111.4 | A384 T385 L386 R390 K391 | A384-K388 WeakPolarHBondContact O-CG 3.47Å; A384-K388 PolarHBondContact O-N 2.88Å; T385-K388 WeakPolarHBondContact O-CA 3.15Å; T385-K388 WeakPolarHBondContact O-CB 3.38Å; T385-K388 PolarHBondContact O-N 2.96Å; L386-K388 PolarHBondContact O-N 2.9Å; K388-R390 PolarHBondContact O-N 2.97Å; K388-K391 PolarHBondContact O-N 3.3Å |
| 389 | I | 93.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -29.4 | -177.7 | -62.7 | 169.1 | 0 | 0 | 0 | 111.8 | I345 L349 T385 L386 K391 F392 I398 A402 | I345-I389 HydrophobicContact CG2-CD1 3.26Å; L349-I389 HydrophobicContact CD1-CB 4.47Å; L349-I389 HydrophobicContact CD1-CD1 3.65Å; L349-I389 HydrophobicContact CD1-CG1 3.55Å; L349-I389 HydrophobicContact CD1-CG2 4.13Å; T385-I389 HydrophobicContact CG2-CD1 3.9Å; T385-I389 VanDerWaalsContact O-CG1 3.32Å; T385-I389 WeakPolarHBondContact O-CG1 3.03Å; T385-I389 PolarHBondContact O-N 2.97Å; L386-I389 PolarHBondContact O-N 3.39Å; I389-K391 PolarHBondContact O-N 3.03Å; I389-F392 WeakPolarHBondContact O-CB 3.36Å; I389-F392 PolarHBondContact O-N 2.99Å; I389-I398 HydrophobicContact CG2-CG2 3.25Å; I389-A402 HydrophobicContact CB-CB 3.98Å; I389-A402 HydrophobicContact CG2-CB 3.58Å |
| 390 | R | 95.3 | Very high | 93.8 | Very high | 84 Ų | 84 | 71.2 Ų | 71.2 | 32% | 0.317 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 4.5 | 166 | -68.4 | -171.5 | 68 | -161.4 | -6.4 | 116.2 | L386 K388 A402 T403 Y406 | L386-R390 WeakPolarHBondContact O-CG 3.33Å; L386-R390 PolarHBondContact O-N 2.87Å; K388-R390 PolarHBondContact O-N 2.97Å; R390-A402 HydrophobicContact CG-CB 4.11Å; R390-T403 WeakPolarHBondContact CG-OG1 3.32Å; R390-T403 PolarHBondContact NE-OG1 3.04Å; R390-Y406 VanDerWaalsContact NH1-CD1 3.28Å |
| 391 | K | 93.1 | Very high | 93.9 | Very high | 175 Ų | 175 | 69.7 Ų | 69.7 | 76% | 0.761 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | 9.8 | 171 | -59.7 | -169.5 | 174.7 | -166.6 | 0 | 112.7 | K388 I389 K393 | K388-K391 PolarHBondContact O-N 3.3Å; I389-K391 PolarHBondContact O-N 3.03Å; K391-K393 PolarHBondContact O-N 3.21Å |
| 392 | F | 91.9 | Very high | 94 | Very high | 45 Ų | 45 | 63.9 Ų | 63.9 | 20% | 0.197 | 32% | 0.315 | C | S | . | . | trans | -76.9 | 101.1 | -178.2 | -174.3 | -103.4 | 0 | 0 | 0 | 110 | L349 P354 I389 A394 I398 M399 | L349-F392 HydrophobicContact CD2-CD2 4.46Å; L349-F392 HydrophobicContact CD2-CE1 4.04Å; L349-F392 HydrophobicContact CD2-CE2 3.96Å; L349-F392 HydrophobicContact CD2-CZ 3.71Å; P354-F392 HydrophobicContact CB-CZ 4.28Å; I389-F392 WeakPolarHBondContact O-CB 3.36Å; I389-F392 PolarHBondContact O-N 2.99Å; F392-A394 VanDerWaalsContact C-N 3.32Å; F392-A394 HydrophobicContact CD1-CB 4.42Å; F392-A394 HydrophobicContact CE1-CB 3.77Å; F392-A394 HydrophobicContact CE2-CB 4.34Å; F392-A394 HydrophobicContact CZ-CB 3.73Å; F392-A394 PolarHBondContact O-N 3.07Å; F392-I398 HydrophobicContact CB-CG2 4.37Å; F392-I398 HydrophobicContact CD1-CB 4.2Å; F392-I398 HydrophobicContact CD1-CD1 4.39Å; F392-I398 HydrophobicContact CD1-CG2 3.77Å; F392-I398 HydrophobicContact CE1-CD1 4.1Å; F392-I398 HydrophobicContact CE1-CG2 4.46Å; F392-I398 HydrophobicContact CG-CG2 4.34Å; F392-M399 WeakPolarHBondContact O-CE 3.17Å | ||
| 393 | K | 90.8 | Very high | 94.2 | Very high | 196 Ų | 196 | 65.1 Ų | 65.1 | 85% | 0.852 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.5 | -175.3 | -71.1 | -170.7 | 171.7 | -169.2 | 0 | 115.2 | K391 | K391-K393 PolarHBondContact O-N 3.21Š|
| 394 | A | 89.1 | Confident | 94.3 | Very high | 75 Ų | 75 | 70.3 Ų | 70.3 | 62% | 0.62 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -4.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F392 | F392-A394 VanDerWaalsContact C-N 3.32Å; F392-A394 HydrophobicContact CD1-CB 4.42Å; F392-A394 HydrophobicContact CE1-CB 3.77Å; F392-A394 HydrophobicContact CE2-CB 4.34Å; F392-A394 HydrophobicContact CZ-CB 3.73Å; F392-A394 PolarHBondContact O-N 3.07Å |
| 395 | S | 93.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | trans | -152.6 | 126.1 | 162.2 | 158.6 | 0 | 0 | 0 | 0 | 108.2 | D397 I398 M399 | S395-D397 PolarHBondContact OG-N 3.08Å; S395-D397 PolarHBondContact OG-OD2 3.05Å; S395-I398 PolarHBondContact OG-N 2.66Å; S395-M399 PolarHBondContact O-N 3.19Å | ||
| 396 | Q | 95.3 | Very high | 94.2 | Very high | 100 Ų | 100 | 69.3 Ų | 69.3 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 178.9 | -174 | 56.4 | 36.1 | 0 | 0 | 110.8 | I398 M399 D400 | Q396-I398 VanDerWaalsContact C-N 3.29Å; Q396-I398 PolarHBondContact O-N 3.17Å; Q396-M399 WeakPolarHBondContact O-CA 3.45Å; Q396-M399 VanDerWaalsContact O-CB 3.32Å; Q396-M399 WeakPolarHBondContact O-CB 3.39Å; Q396-M399 PolarHBondContact O-N 3.34Å; Q396-D400 WeakPolarHBondContact CG-OD2 3.36Å; Q396-D400 PolarHBondContact NE2-OD1 3.1Å; Q396-D400 VanDerWaalsContact NE2-OD1 3.17Å; Q396-D400 PolarHBondContact NE2-OD2 2.88Å; Q396-D400 PolarHBondContact O-N 3.02Å |
| 397 | D | 94.1 | Very high | 94.2 | Very high | 102 Ų | 102 | 72.5 Ų | 72.5 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.5 | -43.7 | 177.4 | -36 | -83.7 | 0 | 0 | 0 | 111.3 | L360 S395 M399 D400 K401 | L360-D397 HydrophobicContact CD1-CB 4.15Å; L360-D397 HydrophobicContact CD2-CB 3.83Å; S395-D397 PolarHBondContact OG-N 3.08Å; S395-D397 PolarHBondContact OG-OD2 3.05Å; D397-M399 VanDerWaalsContact C-N 3.33Å; D397-M399 PolarHBondContact O-N 3.02Å; D397-D400 PolarHBondContact O-N 3.07Å; D397-K401 WeakPolarHBondContact O-CB 3.47Å; D397-K401 PolarHBondContact O-N 2.95Å |
| 398 | I | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 175.4 | -74.3 | -179.1 | 0 | 0 | 0 | 110.9 | L349 V356 C359 L360 L363 I389 F392 S395 Q396 A402 | L349-I398 HydrophobicContact CD2-CD1 4.23Å; V356-I398 HydrophobicContact CB-CD1 4.22Å; V356-I398 HydrophobicContact CG1-CD1 3.83Å; V356-I398 HydrophobicContact CG1-CG1 4.42Å; V356-I398 HydrophobicContact CG2-CD1 4.39Å; C359-I398 HydrophobicContact CB-CD1 3.75Å; L360-I398 HydrophobicContact CD1-CG1 4.45Å; L360-I398 HydrophobicContact CD2-CB 4.45Å; L360-I398 HydrophobicContact CD2-CG1 3.59Å; L360-I398 HydrophobicContact CG-CD1 4.36Å; L360-I398 HydrophobicContact CG-CG1 3.67Å; L363-I398 HydrophobicContact CD1-CG2 4.43Å; I389-I398 HydrophobicContact CG2-CG2 3.25Å; F392-I398 HydrophobicContact CB-CG2 4.37Å; F392-I398 HydrophobicContact CD1-CB 4.2Å; F392-I398 HydrophobicContact CD1-CD1 4.39Å; F392-I398 HydrophobicContact CD1-CG2 3.77Å; F392-I398 HydrophobicContact CE1-CD1 4.1Å; F392-I398 HydrophobicContact CE1-CG2 4.46Å; F392-I398 HydrophobicContact CG-CG2 4.34Å; S395-I398 PolarHBondContact OG-N 2.66Å; Q396-I398 VanDerWaalsContact C-N 3.29Å; Q396-I398 PolarHBondContact O-N 3.17Å; I398-A402 WeakPolarHBondContact O-CB 3.48Å; I398-A402 PolarHBondContact O-N 2.91Å |
| 399 | M | 95.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 63 Ų | 63 | 18% | 0.177 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -43.3 | -179.6 | -160.1 | -168 | -45.8 | 0 | 0 | 112.2 | F392 S395 Q396 D397 T403 | F392-M399 WeakPolarHBondContact O-CE 3.17Å; S395-M399 PolarHBondContact O-N 3.19Å; Q396-M399 WeakPolarHBondContact O-CA 3.45Å; Q396-M399 VanDerWaalsContact O-CB 3.32Å; Q396-M399 WeakPolarHBondContact O-CB 3.39Å; Q396-M399 PolarHBondContact O-N 3.34Å; D397-M399 VanDerWaalsContact C-N 3.33Å; D397-M399 PolarHBondContact O-N 3.02Å; M399-T403 VanDerWaalsContact O-CB 3.3Å; M399-T403 WeakPolarHBondContact O-CB 3.47Å; M399-T403 PolarHBondContact O-N 3.33Å; M399-T403 PolarHBondContact O-OG1 2.83Å |
| 400 | D | 95.7 | Very high | 93.7 | Very high | 77 Ų | 77 | 67.9 Ų | 67.9 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.1 | -42.5 | -177.3 | -69.7 | -32 | 0 | 0 | 0 | 111.7 | Q396 D397 A402 T403 M404 | Q396-D400 WeakPolarHBondContact CG-OD2 3.36Å; Q396-D400 PolarHBondContact NE2-OD1 3.1Å; Q396-D400 VanDerWaalsContact NE2-OD1 3.17Å; Q396-D400 PolarHBondContact NE2-OD2 2.88Å; Q396-D400 PolarHBondContact O-N 3.02Å; D397-D400 PolarHBondContact O-N 3.07Å; D400-A402 PolarHBondContact O-N 3.45Å; D400-T403 CarbonylContact O-C 3.52Å; D400-T403 WeakPolarHBondContact O-CA 3.46Å; D400-T403 VanDerWaalsContact O-CB 3.29Å; D400-T403 WeakPolarHBondContact O-CB 3.31Å; D400-T403 PolarHBondContact O-N 3.5Å; D400-M404 WeakPolarHBondContact O-CG 3.48Å; D400-M404 PolarHBondContact O-N 2.92Å |
| 401 | K | 95 | Very high | 93.3 | Very high | 41 Ų | 41 | 67.6 Ų | 67.6 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 174.3 | -161.8 | 175 | -161.3 | 174.8 | 0 | 111.6 | L360 L363 D364 D397 T403 M404 L405 | L360-K401 HydrophobicContact CD2-CD 3.64Å; L360-K401 PolarHBondContact O-NZ 2.98Å; L363-K401 HydrophobicContact CB-CD 3.89Å; L363-K401 HydrophobicContact CB-CG 4.11Å; L363-K401 HydrophobicContact CD1-CD 4.44Å; D364-K401 WeakPolarHBondContact OD1-CE 3.39Å; D364-K401 IonicContact OD1-NZ 2.68Å; D364-K401 PolarHBondContact OD1-NZ 3.07Å; D364-K401 VanDerWaalsContact OD1-NZ 3.14Å; D364-K401 WeakPolarHBondContact OD2-CE 3.45Å; D364-K401 IonicContact OD2-NZ 2.68Å; D364-K401 PolarHBondContact OD2-NZ 3.25Å; D397-K401 WeakPolarHBondContact O-CB 3.47Å; D397-K401 PolarHBondContact O-N 2.95Å; K401-T403 VanDerWaalsContact C-N 3.26Å; K401-T403 PolarHBondContact O-N 3.15Å; K401-M404 PolarHBondContact O-N 3.24Å; K401-L405 VanDerWaalsContact O-CG 3.29Å; K401-L405 WeakPolarHBondContact O-CG 3.31Å; K401-L405 PolarHBondContact O-N 3.12Å |
| 402 | A | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -27.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | L386 I389 R390 I398 D400 Y406 | L386-A402 HydrophobicContact CD2-CB 4.27Å; I389-A402 HydrophobicContact CB-CB 3.98Å; I389-A402 HydrophobicContact CG2-CB 3.58Å; R390-A402 HydrophobicContact CG-CB 4.11Å; I398-A402 WeakPolarHBondContact O-CB 3.48Å; I398-A402 PolarHBondContact O-N 2.91Å; D400-A402 PolarHBondContact O-N 3.45Å; A402-Y406 WeakPolarHBondContact O-CB 3.15Å; A402-Y406 PolarHBondContact O-N 3.1Å |
| 403 | T | 96.3 | Very high | 92.3 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 17% | 0.172 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.4 | -46.7 | 173 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | R390 M399 D400 K401 Y406 N407 | R390-T403 WeakPolarHBondContact CG-OG1 3.32Å; R390-T403 PolarHBondContact NE-OG1 3.04Å; M399-T403 VanDerWaalsContact O-CB 3.3Å; M399-T403 WeakPolarHBondContact O-CB 3.47Å; M399-T403 PolarHBondContact O-N 3.33Å; M399-T403 PolarHBondContact O-OG1 2.83Å; D400-T403 CarbonylContact O-C 3.52Å; D400-T403 WeakPolarHBondContact O-CA 3.46Å; D400-T403 VanDerWaalsContact O-CB 3.29Å; D400-T403 WeakPolarHBondContact O-CB 3.31Å; D400-T403 PolarHBondContact O-N 3.5Å; K401-T403 VanDerWaalsContact C-N 3.26Å; K401-T403 PolarHBondContact O-N 3.15Å; T403-Y406 PolarHBondContact O-N 3.43Å; T403-N407 VanDerWaalsContact O-CB 3.31Å; T403-N407 WeakPolarHBondContact O-CB 3.48Å; T403-N407 PolarHBondContact O-N 2.85Å; T403-N407 PolarHBondContact O-ND2 2.88Å |
| 404 | M | 95.7 | Very high | 91.8 | Very high | 137 Ų | 137 | 60.7 Ų | 60.7 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.8 | -50.8 | 173.9 | -71.1 | 168.4 | 59.2 | 0 | 0 | 111.2 | D400 K401 N407 K408 | D400-M404 WeakPolarHBondContact O-CG 3.48Å; D400-M404 PolarHBondContact O-N 2.92Å; K401-M404 PolarHBondContact O-N 3.24Å; M404-N407 PolarHBondContact O-N 3.48Å; M404-K408 WeakPolarHBondContact O-CB 3.39Å; M404-K408 PolarHBondContact O-N 3.11Å |
| 405 | L | 94.9 | Very high | 91 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | -179.5 | -66.9 | 169.2 | 0 | 0 | 0 | 112.5 | L363 I366 G367 K401 N407 K408 F409 | L363-L405 HydrophobicContact CB-CD1 3.91Å; L363-L405 HydrophobicContact CD2-CD1 3.72Å; L363-L405 HydrophobicContact CG-CD1 4.4Å; L363-L405 VanDerWaalsContact O-CD1 3.31Å; L363-L405 WeakPolarHBondContact O-CD1 3.29Å; I366-L405 HydrophobicContact CG2-CD1 4.31Å; I366-L405 HydrophobicContact CG2-CD2 4.46Å; G367-L405 VanDerWaalsContact CA-CD2 3.41Å; K401-L405 VanDerWaalsContact O-CG 3.29Å; K401-L405 WeakPolarHBondContact O-CG 3.31Å; K401-L405 PolarHBondContact O-N 3.12Å; L405-N407 VanDerWaalsContact C-N 3.28Å; L405-N407 PolarHBondContact O-N 3.23Å; L405-K408 PolarHBondContact O-N 3.35Å; L405-F409 HydrophobicContact CB-CE2 4.24Å; L405-F409 WeakPolarHBondContact O-CB 3.41Å; L405-F409 WeakPolarHBondContact O-CD2 3.46Å; L405-F409 VanDerWaalsContact O-CG 3.26Å; L405-F409 WeakPolarHBondContact O-CG 3.46Å; L405-F409 PolarHBondContact O-N 3.14Å |
| 406 | Y | 94.8 | Very high | 89.2 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 175 | -177.7 | -90.4 | 0 | 0 | 0 | 112 | I383 K387 R390 A402 T403 K410 | I383-Y406 HydrophobicContact CG2-CD2 4.26Å; I383-Y406 HydrophobicContact CG2-CE2 3.86Å; K387-Y406 HydrophobicContact CB-CD2 4.06Å; K387-Y406 HydrophobicContact CB-CE2 3.69Å; K387-Y406 HydrophobicContact CD-CE2 4.05Å; K387-Y406 HydrophobicContact CG-CE2 3.92Å; R390-Y406 VanDerWaalsContact NH1-CD1 3.28Å; A402-Y406 WeakPolarHBondContact O-CB 3.15Å; A402-Y406 PolarHBondContact O-N 3.1Å; T403-Y406 PolarHBondContact O-N 3.43Å; Y406-K410 HydrophobicContact CE1-CD 4.42Å; Y406-K410 WeakPolarHBondContact O-CB 3.37Å; Y406-K410 PolarHBondContact O-N 3.21Å |
| 407 | N | 93.5 | Very high | 87.3 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.1 | -43.6 | 176.8 | -71 | -14.1 | 0 | 0 | 0 | 111.6 | T403 M404 L405 F409 K410 T411 | T403-N407 VanDerWaalsContact O-CB 3.31Å; T403-N407 WeakPolarHBondContact O-CB 3.48Å; T403-N407 PolarHBondContact O-N 2.85Å; T403-N407 PolarHBondContact O-ND2 2.88Å; M404-N407 PolarHBondContact O-N 3.48Å; L405-N407 VanDerWaalsContact C-N 3.28Å; L405-N407 PolarHBondContact O-N 3.23Å; N407-F409 VanDerWaalsContact C-N 3.31Å; N407-F409 PolarHBondContact O-N 3.38Å; N407-K410 PolarHBondContact O-N 2.86Å; N407-K410 VanDerWaalsContact O-N 3.16Å; N407-T411 PolarHBondContact O-N 3.34Å; N407-T411 PolarHBondContact O-OG1 3.29Å |
| 408 | K | 91.3 | Very high | 85.2 | Confident | 85 Ų | 85 | 58.4 Ų | 58.4 | 37% | 0.37 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.4 | -43 | 172.7 | 178.3 | -179.6 | 178.5 | 179.6 | 0 | 111.9 | G367 M404 L405 T411 M412 | G367-K408 PolarHBondContact O-NZ 2.95Å; M404-K408 WeakPolarHBondContact O-CB 3.39Å; M404-K408 PolarHBondContact O-N 3.11Å; L405-K408 PolarHBondContact O-N 3.35Å; K408-T411 PolarHBondContact O-OG1 3.43Å; K408-M412 HydrophobicContact CG-CE 4.05Å; K408-M412 WeakPolarHBondContact O-CG 3.5Å; K408-M412 PolarHBondContact O-N 3.47Å |
| 409 | F | 92.3 | Very high | 83.2 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.009 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.8 | -34 | 176.6 | -61.9 | -33.1 | 0 | 0 | 0 | 112.9 | I366 V371 L376 I383 L386 L405 N407 M412 F413 | I366-F409 HydrophobicContact CG2-CE2 3.69Å; I366-F409 HydrophobicContact CG2-CZ 3.59Å; V371-F409 HydrophobicContact CB-CE1 3.98Å; V371-F409 HydrophobicContact CG1-CE1 4.25Å; V371-F409 HydrophobicContact CG2-CE1 4.17Å; V371-F409 HydrophobicContact CG2-CZ 4.29Å; L376-F409 HydrophobicContact CD1-CB 3.76Å; L376-F409 HydrophobicContact CD1-CD1 3.81Å; L376-F409 HydrophobicContact CD1-CG 4.02Å; L376-F409 HydrophobicContact CD2-CB 4.24Å; L376-F409 HydrophobicContact CD2-CD1 3.7Å; L376-F409 HydrophobicContact CD2-CD2 4.21Å; L376-F409 HydrophobicContact CD2-CE1 4.05Å; L376-F409 HydrophobicContact CD2-CG 3.79Å; L376-F409 HydrophobicContact CD2-CZ 4.45Å; L376-F409 HydrophobicContact CG-CD1 4.36Å; I383-F409 HydrophobicContact CD1-CB 3.68Å; I383-F409 HydrophobicContact CD1-CD2 3.48Å; I383-F409 VanDerWaalsContact CD1-CD2 3.48Å; I383-F409 HydrophobicContact CD1-CE2 4.42Å; I383-F409 HydrophobicContact CD1-CG 3.88Å; L386-F409 HydrophobicContact CD1-CD2 3.81Å; L386-F409 HydrophobicContact CD1-CE2 3.75Å; L405-F409 HydrophobicContact CB-CE2 4.24Å; L405-F409 WeakPolarHBondContact O-CB 3.41Å; L405-F409 WeakPolarHBondContact O-CD2 3.46Å; L405-F409 VanDerWaalsContact O-CG 3.26Å; L405-F409 WeakPolarHBondContact O-CG 3.46Å; L405-F409 PolarHBondContact O-N 3.14Å; N407-F409 VanDerWaalsContact C-N 3.31Å; N407-F409 PolarHBondContact O-N 3.38Å; F409-M412 HydrophobicContact CD1-CE 4.31Å; F409-M412 HydrophobicContact CD1-SD 3.9Å; F409-M412 PolarHBondContact O-N 3.43Å; F409-F413 WeakPolarHBondContact O-CD2 3.49Å; F409-F413 PolarHBondContact O-N 3Å |
| 410 | K | 90.1 | Very high | 81.4 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 47% | 0.474 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 173.7 | -175.5 | -165.7 | 173.1 | -157.7 | 0 | 111.9 | Y406 N407 F413 L414 | Y406-K410 HydrophobicContact CE1-CD 4.42Å; Y406-K410 WeakPolarHBondContact O-CB 3.37Å; Y406-K410 PolarHBondContact O-N 3.21Å; N407-K410 PolarHBondContact O-N 2.86Å; N407-K410 VanDerWaalsContact O-N 3.16Å; K410-F413 PolarHBondContact O-N 3.39Å; K410-L414 HydrophobicContact CD-CD1 4.49Å; K410-L414 HydrophobicContact CG-CD1 4.03Å; K410-L414 WeakPolarHBondContact O-CG 3.34Å; K410-L414 PolarHBondContact O-N 3Å; K410-L414 VanDerWaalsContact O-N 3.14Å |
| 411 | T | 86.5 | Confident | 79.6 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.6 | -41.1 | 176.4 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | N407 K408 F413 L414 V415 | N407-T411 PolarHBondContact O-N 3.34Å; N407-T411 PolarHBondContact O-OG1 3.29Å; K408-T411 PolarHBondContact O-OG1 3.43Å; T411-F413 VanDerWaalsContact C-N 3.26Å; T411-F413 PolarHBondContact O-N 2.93Å; T411-L414 PolarHBondContact O-N 3.16Å; T411-V415 WeakPolarHBondContact O-CG2 3.43Å; T411-V415 PolarHBondContact O-N 3.3Å |
| 412 | M | 82.8 | Confident | 77.7 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -53.3 | -42.6 | 171 | -69.3 | 173.1 | -174.7 | 0 | 0 | 112.6 | L376 K408 F409 G416 | L376-M412 HydrophobicContact CD1-CB 4.14Å; L376-M412 HydrophobicContact CD1-SD 3.79Å; K408-M412 HydrophobicContact CG-CE 4.05Å; K408-M412 WeakPolarHBondContact O-CG 3.5Å; K408-M412 PolarHBondContact O-N 3.47Å; F409-M412 HydrophobicContact CD1-CE 4.31Å; F409-M412 HydrophobicContact CD1-SD 3.9Å; F409-M412 PolarHBondContact O-N 3.43Å; M412-G416 PolarHBondContact O-N 3.44Å |
| 413 | F | 82.1 | Confident | 76.1 | Confident | 92 Ų | 92 | 71 Ų | 71 | 40% | 0.404 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.7 | -27.8 | 175.6 | -90.2 | -67.1 | 0 | 0 | 0 | 114.6 | T373 L376 Q377 F409 K410 T411 | T373-F413 HydrophobicContact CG2-CD1 4.11Å; T373-F413 HydrophobicContact CG2-CE1 4.26Å; L376-F413 HydrophobicContact CB-CD2 4.43Å; L376-F413 HydrophobicContact CB-CE2 3.52Å; L376-F413 HydrophobicContact CB-CZ 3.7Å; L376-F413 HydrophobicContact CD1-CD2 4.19Å; L376-F413 HydrophobicContact CD1-CE2 4.05Å; L376-F413 HydrophobicContact CG-CE2 4.43Å; Q377-F413 HydrophobicContact CG-CE1 3.67Å; Q377-F413 HydrophobicContact CG-CZ 4.03Å; F409-F413 WeakPolarHBondContact O-CD2 3.49Å; F409-F413 PolarHBondContact O-N 3Å; K410-F413 PolarHBondContact O-N 3.39Å; T411-F413 VanDerWaalsContact C-N 3.26Å; T411-F413 PolarHBondContact O-N 2.93Å |
| 414 | L | 78.8 | Confident | 74.5 | Confident | 129 Ų | 129 | 76.8 Ų | 76.8 | 68% | 0.675 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -87.7 | -37.8 | -177.7 | -77.5 | 166.9 | 0 | 0 | 0 | 113.1 | K410 T411 | K410-L414 HydrophobicContact CD-CD1 4.49Å; K410-L414 HydrophobicContact CG-CD1 4.03Å; K410-L414 WeakPolarHBondContact O-CG 3.34Å; K410-L414 PolarHBondContact O-N 3Å; K410-L414 VanDerWaalsContact O-N 3.14Å; T411-L414 PolarHBondContact O-N 3.16Å |
| 415 | V | 71.9 | Confident | 73.3 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 58% | 0.576 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -73 | -41.9 | 174.8 | 177 | 0 | 0 | 0 | 0 | 110.1 | T411 D419 | T411-V415 WeakPolarHBondContact O-CG2 3.43Å; T411-V415 PolarHBondContact O-N 3.3Å; V415-D419 HydrophobicContact CG1-CB 3.63Å |
| 416 | G | 55.9 | Low | 72 | Confident | 27 Ų | 27 | 79 Ų | 79 | 28% | 0.278 | 44% | 0.435 | S | S | . | . | trans | 74.5 | 172.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M412 G418 | M412-G416 PolarHBondContact O-N 3.44Å; G416-G418 PolarHBondContact O-N 3.37Å; G416-G418 VanDerWaalsContact O-N 3.08Å | ||
| 417 | E | 55.3 | Low | 71 | Confident | 74 Ų | 74 | 81.9 Ų | 81.9 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -6.6 | -174.5 | -57.7 | -177.2 | 138 | 0 | 0 | 113.7 | Q374 D419 C420 V421 | Q374-E417 WeakPolarHBondContact CG-OE1 3.44Å; Q374-E417 PolarHBondContact NE2-OE1 2.78Å; Q374-E417 VanDerWaalsContact NE2-OE1 3.08Å; E417-D419 VanDerWaalsContact C-N 3.28Å; E417-D419 PolarHBondContact O-N 3.22Å; E417-C420 PolarHBondContact O-SG 3.14Å; E417-V421 WeakPolarHBondContact O-CB 3.36Å; E417-V421 VanDerWaalsContact O-CG2 3.29Å; E417-V421 WeakPolarHBondContact O-CG2 3.45Å; E417-V421 PolarHBondContact O-N 3.44Å; E417-V421 VanDerWaalsContact O-N 3.1Å |
| 418 | G | 49.4 | Very low | 70.3 | Confident | 44 Ų | 44 | 85.9 Ų | 85.9 | 45% | 0.454 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.9 | -37.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G416 L422 | G416-G418 PolarHBondContact O-N 3.37Å; G416-G418 VanDerWaalsContact O-N 3.08Å; G418-L422 VanDerWaalsContact O-CB 3.28Å; G418-L422 WeakPolarHBondContact O-CB 3.29Å; G418-L422 WeakPolarHBondContact O-CD1 3.47Å; G418-L422 WeakPolarHBondContact O-CG 3.27Å; G418-L422 PolarHBondContact O-N 2.72Å |
| 419 | D | 54.5 | Low | 69.5 | Low | 101 Ų | 101 | 84.7 Ų | 84.7 | 54% | 0.54 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -75.4 | -40.9 | -176.3 | -170.3 | 42.1 | 0 | 0 | 0 | 112.8 | V415 E417 V421 L422 S423 | V415-D419 HydrophobicContact CG1-CB 3.63Å; E417-D419 VanDerWaalsContact C-N 3.28Å; E417-D419 PolarHBondContact O-N 3.22Å; D419-V421 VanDerWaalsContact C-N 3.34Å; D419-V421 PolarHBondContact O-N 2.91Å; D419-L422 PolarHBondContact O-N 3.46Å; D419-S423 WeakPolarHBondContact O-CB 3.31Å; D419-S423 PolarHBondContact O-N 3.39Å |
| 420 | C | 56.6 | Low | 68.9 | Low | 78 Ų | 78 | 89.6 Ų | 89.6 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.2 | -31.3 | 174.7 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | E417 Q424 | E417-C420 PolarHBondContact O-SG 3.14Å; C420-Q424 WeakPolarHBondContact O-CG 3.3Å; C420-Q424 PolarHBondContact O-N 3.11Å |
| 421 | V | 57.9 | Low | 68.2 | Low | 78 Ų | 78 | 86.9 Ų | 86.9 | 47% | 0.473 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.7 | -42.8 | 171.6 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | E417 D419 S423 Q424 V425 | E417-V421 WeakPolarHBondContact O-CB 3.36Å; E417-V421 VanDerWaalsContact O-CG2 3.29Å; E417-V421 WeakPolarHBondContact O-CG2 3.45Å; E417-V421 PolarHBondContact O-N 3.44Å; E417-V421 VanDerWaalsContact O-N 3.1Å; D419-V421 VanDerWaalsContact C-N 3.34Å; D419-V421 PolarHBondContact O-N 2.91Å; V421-S423 VanDerWaalsContact C-N 3.34Å; V421-S423 PolarHBondContact O-N 2.96Å; V421-Q424 PolarHBondContact O-N 3.17Å; V421-V425 HydrophobicContact CG1-CG2 4.34Å; V421-V425 WeakPolarHBondContact O-CB 3.29Å; V421-V425 VanDerWaalsContact O-CG2 3.3Å; V421-V425 WeakPolarHBondContact O-CG2 3.39Å; V421-V425 PolarHBondContact O-N 3.43Å |
| 422 | L | 55.3 | Low | 67.8 | Low | 104 Ų | 104 | 89.1 Ų | 89.1 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 173.1 | -81.1 | 165.9 | 0 | 0 | 0 | 111 | G418 D419 Q424 V425 L426 | G418-L422 VanDerWaalsContact O-CB 3.28Å; G418-L422 WeakPolarHBondContact O-CB 3.29Å; G418-L422 WeakPolarHBondContact O-CD1 3.47Å; G418-L422 WeakPolarHBondContact O-CG 3.27Å; G418-L422 PolarHBondContact O-N 2.72Å; D419-L422 PolarHBondContact O-N 3.46Å; L422-Q424 PolarHBondContact O-N 3.43Å; L422-V425 PolarHBondContact O-N 3.37Å; L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.41Å; L422-L426 VanDerWaalsContact O-CG 3.28Å; L422-L426 WeakPolarHBondContact O-CG 3.25Å; L422-L426 PolarHBondContact O-N 3.43Å |
| 423 | S | 62.4 | Low | 67.6 | Low | 59 Ų | 59 | 92.7 Ų | 92.7 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 175.9 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | D419 V421 N427 | D419-S423 WeakPolarHBondContact O-CB 3.31Å; D419-S423 PolarHBondContact O-N 3.39Å; V421-S423 VanDerWaalsContact C-N 3.34Å; V421-S423 PolarHBondContact O-N 2.96Å; S423-N427 WeakPolarHBondContact O-CB 3.2Å; S423-N427 PolarHBondContact O-N 3.41Å; S423-N427 PolarHBondContact O-ND2 3.47Å; S423-N427 PolarHBondContact OG-ND2 2.87Å |
| 424 | Q | 62.8 | Low | 67.3 | Low | 148 Ų | 148 | 97 Ų | 97 | 69% | 0.692 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 173.8 | -79.9 | -170.1 | -8.7 | 0 | 0 | 113 | C420 V421 L422 K428 | C420-Q424 WeakPolarHBondContact O-CG 3.3Å; C420-Q424 PolarHBondContact O-N 3.11Å; V421-Q424 PolarHBondContact O-N 3.17Å; L422-Q424 PolarHBondContact O-N 3.43Å; Q424-K428 VanDerWaalsContact O-CB 3.31Å; Q424-K428 WeakPolarHBondContact O-CB 3.34Å; Q424-K428 PolarHBondContact O-N 3.43Å |
| 425 | V | 69.7 | Low | 67.2 | Low | 89 Ų | 89 | 97.4 Ų | 97.4 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 179 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | V421 L422 K428 S429 | V421-V425 HydrophobicContact CG1-CG2 4.34Å; V421-V425 WeakPolarHBondContact O-CB 3.29Å; V421-V425 VanDerWaalsContact O-CG2 3.3Å; V421-V425 WeakPolarHBondContact O-CG2 3.39Å; V421-V425 PolarHBondContact O-N 3.43Å; L422-V425 PolarHBondContact O-N 3.37Å; V425-K428 PolarHBondContact O-N 3.08Å; V425-S429 VanDerWaalsContact O-CB 3.26Å; V425-S429 WeakPolarHBondContact O-CB 3.45Å; V425-S429 PolarHBondContact O-N 2.95Å |
| 426 | L | 67.7 | Low | 67.1 | Low | 107 Ų | 107 | 98 Ų | 98 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -48.4 | 174.9 | -76.3 | 166 | 0 | 0 | 0 | 111.6 | L422 K428 S429 L430 | L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.41Å; L422-L426 VanDerWaalsContact O-CG 3.28Å; L422-L426 WeakPolarHBondContact O-CG 3.25Å; L422-L426 PolarHBondContact O-N 3.43Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 3.47Å; L426-S429 PolarHBondContact O-N 2.88Å; L426-L430 WeakPolarHBondContact O-CB 3.31Å; L426-L430 VanDerWaalsContact O-CG 3.31Å; L426-L430 WeakPolarHBondContact O-CG 3.33Å; L426-L430 PolarHBondContact O-N 3.24Å |
| 427 | N | 75.1 | Confident | 68 | Low | 102 Ų | 102 | 102.8 Ų | 102.8 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 177.3 | -81.8 | -77.1 | 0 | 0 | 0 | 112 | S423 L430 A431 | S423-N427 WeakPolarHBondContact O-CB 3.2Å; S423-N427 PolarHBondContact O-N 3.41Å; S423-N427 PolarHBondContact O-ND2 3.47Å; S423-N427 PolarHBondContact OG-ND2 2.87Å; N427-L430 PolarHBondContact O-N 3.39Å; N427-A431 PolarHBondContact O-N 3.37Å; N427-A431 VanDerWaalsContact O-N 3.08Å |
| 428 | K | 78.1 | Confident | 69 | Low | 152 Ų | 152 | 105.8 Ų | 105.8 | 66% | 0.661 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65 | -45.6 | 175 | -172.4 | 175.3 | 178.7 | -177.8 | 0 | 111.8 | Q424 V425 L426 L430 A431 E432 | Q424-K428 VanDerWaalsContact O-CB 3.31Å; Q424-K428 WeakPolarHBondContact O-CB 3.34Å; Q424-K428 PolarHBondContact O-N 3.43Å; V425-K428 PolarHBondContact O-N 3.08Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 3.47Å; K428-L430 VanDerWaalsContact C-N 3.32Å; K428-L430 PolarHBondContact O-N 3.29Å; K428-A431 PolarHBondContact O-N 3Å; K428-E432 WeakPolarHBondContact O-CB 3.44Å; K428-E432 PolarHBondContact O-N 3.47Å |
| 429 | S | 74.8 | Confident | 70.3 | Confident | 60 Ų | 60 | 106.7 Ų | 106.7 | 42% | 0.42 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -34.2 | 178.3 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | V425 L426 Q433 | V425-S429 VanDerWaalsContact O-CB 3.26Å; V425-S429 WeakPolarHBondContact O-CB 3.45Å; V425-S429 PolarHBondContact O-N 2.95Å; L426-S429 PolarHBondContact O-N 2.88Å; S429-Q433 VanDerWaalsContact O-CB 3.26Å; S429-Q433 WeakPolarHBondContact O-CB 3.38Å; S429-Q433 PolarHBondContact O-N 2.97Å |
| 430 | L | 79.6 | Confident | 71.3 | Confident | 105 Ų | 105 | 108 Ų | 108 | 55% | 0.55 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.9 | -40 | 173.7 | -77.7 | 166.2 | 0 | 0 | 0 | 112.3 | L426 N427 K428 R434 | L426-L430 WeakPolarHBondContact O-CB 3.31Å; L426-L430 VanDerWaalsContact O-CG 3.31Å; L426-L430 WeakPolarHBondContact O-CG 3.33Å; L426-L430 PolarHBondContact O-N 3.24Å; N427-L430 PolarHBondContact O-N 3.39Å; K428-L430 VanDerWaalsContact C-N 3.32Å; K428-L430 PolarHBondContact O-N 3.29Å; L430-R434 WeakPolarHBondContact O-CG 3.39Å; L430-R434 PolarHBondContact O-N 3.38Å |
| 431 | A | 75.6 | Confident | 72.1 | Confident | 52 Ų | 52 | 112.2 Ų | 112.2 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.3 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N427 K428 R434 Q435 | N427-A431 PolarHBondContact O-N 3.37Å; N427-A431 VanDerWaalsContact O-N 3.08Å; K428-A431 PolarHBondContact O-N 3Å; A431-R434 PolarHBondContact O-N 2.78Å; A431-Q435 PolarHBondContact O-N 2.9Å; A431-Q435 VanDerWaalsContact O-N 3.08Å |
| 432 | E | 78 | Confident | 72.5 | Confident | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.1 | -38.6 | 177.7 | -166.5 | 161.9 | -154.4 | 0 | 0 | 111.7 | K428 Q435 H436 | K428-E432 WeakPolarHBondContact O-CB 3.44Å; K428-E432 PolarHBondContact O-N 3.47Å; E432-Q435 PolarHBondContact O-N 3.4Å; E432-H436 PolarHBondContact O-N 2.89Å |
| 433 | Q | 78.3 | Confident | 73.2 | Confident | 126 Ų | 126 | 107.2 Ų | 107.2 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.2 | -38 | 174 | -175.9 | 163.2 | -33.6 | 0 | 0 | 112.8 | S429 H436 E437 | S429-Q433 VanDerWaalsContact O-CB 3.26Å; S429-Q433 WeakPolarHBondContact O-CB 3.38Å; S429-Q433 PolarHBondContact O-N 2.97Å; Q433-H436 PolarHBondContact O-N 3.45Å; Q433-E437 PolarHBondContact O-N 3.34Å |
| 434 | R | 75.4 | Confident | 73.2 | Confident | 181 Ų | 181 | 110.2 Ų | 110.2 | 68% | 0.683 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.6 | -46.9 | 172.6 | -79.8 | -178.8 | 176.7 | -127.1 | 1.5 | 111.8 | L430 A431 H436 E437 E438 | L430-R434 WeakPolarHBondContact O-CG 3.39Å; L430-R434 PolarHBondContact O-N 3.38Å; A431-R434 PolarHBondContact O-N 2.78Å; R434-H436 VanDerWaalsContact C-N 3.3Å; R434-H436 PolarHBondContact O-N 2.93Å; R434-E437 WeakPolarHBondContact O-CB 3.43Å; R434-E437 PolarHBondContact O-N 2.68Å; R434-E437 VanDerWaalsContact O-N 3.14Å; R434-E438 WeakPolarHBondContact O-CG 3.43Å; R434-E438 PolarHBondContact O-N 3.03Å |
| 435 | Q | 76.9 | Confident | 73.3 | Confident | 139 Ų | 139 | 109 Ų | 109 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.5 | -38.4 | 177.1 | -71.2 | -174.1 | -6.3 | 0 | 0 | 112.4 | A431 E432 A439 | A431-Q435 PolarHBondContact O-N 2.9Å; A431-Q435 VanDerWaalsContact O-N 3.08Å; E432-Q435 PolarHBondContact O-N 3.4Å; Q435-A439 VanDerWaalsContact O-CB 3.25Å; Q435-A439 WeakPolarHBondContact O-CB 3.34Å; Q435-A439 PolarHBondContact O-N 2.63Å |
| 436 | H | 70.8 | Confident | 72.8 | Confident | 108 Ų | 108 | 113.3 Ų | 113.3 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.9 | -33.4 | 175.2 | 178.1 | -126.6 | 0 | 0 | 0 | 113 | E432 Q433 R434 K440 | E432-H436 PolarHBondContact O-N 2.89Å; Q433-H436 PolarHBondContact O-N 3.45Å; R434-H436 VanDerWaalsContact C-N 3.3Å; R434-H436 PolarHBondContact O-N 2.93Å; H436-K440 WeakPolarHBondContact NE2-CE 3.38Å; H436-K440 WeakPolarHBondContact O-CB 3.47Å; H436-K440 WeakPolarHBondContact O-CG 3.32Å; H436-K440 PolarHBondContact O-N 2.6Å; H436-K440 VanDerWaalsContact O-N 3.08Å |
| 437 | E | 73.4 | Confident | 72.4 | Confident | 126 Ų | 126 | 110.9 Ų | 110.9 | 59% | 0.589 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.1 | -46.9 | 172.1 | -168.5 | -174.4 | 144.7 | 0 | 0 | 111.6 | Q433 R434 A439 K440 R441 | Q433-E437 PolarHBondContact O-N 3.34Å; R434-E437 WeakPolarHBondContact O-CB 3.43Å; R434-E437 PolarHBondContact O-N 2.68Å; R434-E437 VanDerWaalsContact O-N 3.14Å; E437-A439 PolarHBondContact O-N 2.97Å; E437-K440 PolarHBondContact O-N 3.22Å; E437-R441 WeakPolarHBondContact O-CB 3.49Å; E437-R441 PolarHBondContact O-N 2.77Å |
| 438 | E | 76.7 | Confident | 71.5 | Confident | 137 Ų | 137 | 111.8 Ų | 111.8 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.3 | -41.5 | 176.5 | -71 | -175.5 | 131.4 | 0 | 0 | 111.9 | R434 K440 R441 G442 | R434-E438 WeakPolarHBondContact O-CG 3.43Å; R434-E438 PolarHBondContact O-N 3.03Å; E438-K440 VanDerWaalsContact C-N 3.34Å; E438-K440 PolarHBondContact O-N 2.68Å; E438-R441 PolarHBondContact O-N 2.97Å; E438-G442 PolarHBondContact O-N 2.63Å |
| 439 | A | 76.5 | Confident | 70.3 | Confident | 63 Ų | 63 | 112.1 Ų | 112.1 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.5 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q435 E437 A443 | Q435-A439 VanDerWaalsContact O-CB 3.25Å; Q435-A439 WeakPolarHBondContact O-CB 3.34Å; Q435-A439 PolarHBondContact O-N 2.63Å; E437-A439 PolarHBondContact O-N 2.97Å; A439-A443 WeakPolarHBondContact O-CB 3.16Å; A439-A443 PolarHBondContact O-N 3.09Å |
| 440 | K | 76.4 | Confident | 69.4 | Low | 128 Ų | 128 | 115.2 Ų | 115.2 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.7 | -42.2 | 173.7 | -81.5 | -176.7 | 172.4 | -177.7 | 0 | 112.6 | H436 E437 E438 G442 A443 L444 | H436-K440 WeakPolarHBondContact NE2-CE 3.38Å; H436-K440 WeakPolarHBondContact O-CB 3.47Å; H436-K440 WeakPolarHBondContact O-CG 3.32Å; H436-K440 PolarHBondContact O-N 2.6Å; H436-K440 VanDerWaalsContact O-N 3.08Å; E437-K440 PolarHBondContact O-N 3.22Å; E438-K440 VanDerWaalsContact C-N 3.34Å; E438-K440 PolarHBondContact O-N 2.68Å; K440-G442 VanDerWaalsContact C-N 3.34Å; K440-G442 PolarHBondContact O-N 2.98Å; K440-A443 PolarHBondContact O-N 3.2Å; K440-L444 WeakPolarHBondContact O-CB 3.31Å; K440-L444 PolarHBondContact O-N 3.35Å |
| 441 | R | 72.4 | Confident | 68.1 | Low | 168 Ų | 168 | 118.5 Ų | 118.5 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.8 | -39.8 | 177.5 | -165.7 | 178.1 | -174.7 | -159.4 | 3.2 | 111.5 | E437 E438 K445 | E437-R441 WeakPolarHBondContact O-CB 3.49Å; E437-R441 PolarHBondContact O-N 2.77Å; E438-R441 PolarHBondContact O-N 2.97Å; R441-K445 WeakPolarHBondContact O-CG 3.39Å; R441-K445 PolarHBondContact O-N 2.87Å; R441-K445 VanDerWaalsContact O-N 3.08Å |
| 442 | G | 67.7 | Low | 66.7 | Low | 29 Ų | 29 | 123.1 Ų | 123.1 | 30% | 0.299 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.9 | -36.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E438 K440 R446 | E438-G442 PolarHBondContact O-N 2.63Å; K440-G442 VanDerWaalsContact C-N 3.34Å; K440-G442 PolarHBondContact O-N 2.98Å; G442-R446 WeakPolarHBondContact O-CG 3.49Å; G442-R446 PolarHBondContact O-N 3.18Å; G442-R446 PolarHBondContact O-NE 3.22Å |
| 443 | A | 68.3 | Low | 65.2 | Low | 48 Ų | 48 | 121 Ų | 121 | 40% | 0.397 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.9 | -43.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A439 K440 R446 A447 | A439-A443 WeakPolarHBondContact O-CB 3.16Å; A439-A443 PolarHBondContact O-N 3.09Å; K440-A443 PolarHBondContact O-N 3.2Å; A443-R446 PolarHBondContact O-N 2.91Å; A443-A447 PolarHBondContact O-N 2.82Å |
| 444 | L | 63.4 | Low | 63.8 | Low | 121 Ų | 121 | 117.8 Ų | 117.8 | 63% | 0.634 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.1 | -49 | 179.3 | -165.5 | 72.4 | 0 | 0 | 0 | 111.4 | K440 R446 A447 E448 | K440-L444 WeakPolarHBondContact O-CB 3.31Å; K440-L444 PolarHBondContact O-N 3.35Å; L444-R446 VanDerWaalsContact C-N 3.28Å; L444-R446 PolarHBondContact O-N 2.89Å; L444-A447 CarbonylContact O-C 3.56Å; L444-A447 WeakPolarHBondContact O-CA 3.31Å; L444-A447 WeakPolarHBondContact O-CB 3.41Å; L444-A447 PolarHBondContact O-N 2.8Å; L444-E448 PolarHBondContact O-N 2.84Å |
| 445 | K | 65.3 | Low | 62.4 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 54% | 0.535 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -56.9 | -38.6 | 176.2 | -75.5 | -175.3 | 172.2 | -164.4 | 0 | 113.1 | R441 E448 H449 | R441-K445 WeakPolarHBondContact O-CG 3.39Å; R441-K445 PolarHBondContact O-N 2.87Å; R441-K445 VanDerWaalsContact O-N 3.08Å; K445-E448 WeakPolarHBondContact O-CB 3.38Å; K445-E448 PolarHBondContact O-N 3Å; K445-H449 PolarHBondContact O-N 2.88Å |
| 446 | R | 59.2 | Low | 60.5 | Low | 180 Ų | 180 | 115.8 Ų | 115.8 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.4 | -35.4 | 174.4 | -73.7 | -176.4 | -65.5 | -149 | 2 | 112.7 | G442 A443 L444 E448 V450 | G442-R446 WeakPolarHBondContact O-CG 3.49Å; G442-R446 PolarHBondContact O-N 3.18Å; G442-R446 PolarHBondContact O-NE 3.22Å; A443-R446 PolarHBondContact O-N 2.91Å; L444-R446 VanDerWaalsContact C-N 3.28Å; L444-R446 PolarHBondContact O-N 2.89Å; R446-E448 VanDerWaalsContact C-N 3.3Å; R446-V450 VanDerWaalsContact O-CG2 3.27Å; R446-V450 WeakPolarHBondContact O-CG2 3.47Å; R446-V450 PolarHBondContact O-N 2.74Å |
| 447 | A | 59 | Low | 59.1 | Low | 55 Ų | 55 | 119.6 Ų | 119.6 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -72.4 | -23.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A443 L444 | A443-A447 PolarHBondContact O-N 2.82Å; L444-A447 CarbonylContact O-C 3.56Å; L444-A447 WeakPolarHBondContact O-CA 3.31Å; L444-A447 WeakPolarHBondContact O-CB 3.41Å; L444-A447 PolarHBondContact O-N 2.8Å |
| 448 | E | 54.8 | Low | 57.7 | Low | 122 Ų | 122 | 120.5 Ų | 120.5 | 57% | 0.57 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.6 | -50.2 | 176.5 | -151.9 | 173 | 132.8 | 0 | 0 | 111 | L444 K445 R446 V450 K451 | L444-E448 PolarHBondContact O-N 2.84Å; K445-E448 WeakPolarHBondContact O-CB 3.38Å; K445-E448 PolarHBondContact O-N 3Å; R446-E448 VanDerWaalsContact C-N 3.3Å; E448-V450 PolarHBondContact O-N 2.62Å; E448-V450 VanDerWaalsContact O-N 3.15Å; E448-K451 PolarHBondContact O-N 2.83Å |
| 449 | H | 54.3 | Low | 55.8 | Low | 159 Ų | 159 | 119.1 Ų | 119.1 | 74% | 0.736 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.7 | -22.2 | 175.4 | -78.7 | 24.9 | 0 | 0 | 0 | 114.1 | K445 K451 | K445-H449 PolarHBondContact O-N 2.88Å; H449-K451 VanDerWaalsContact C-N 3.28Å; H449-K451 PolarHBondContact O-N 2.61Å |
| 450 | V | 55.3 | Low | 53.7 | Low | 125 Ų | 125 | 123.9 Ų | 123.9 | 76% | 0.758 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.5 | -12.2 | 174.2 | 167.1 | 0 | 0 | 0 | 0 | 112.8 | R446 E448 | R446-V450 VanDerWaalsContact O-CG2 3.27Å; R446-V450 WeakPolarHBondContact O-CG2 3.47Å; R446-V450 PolarHBondContact O-N 2.74Å; E448-V450 PolarHBondContact O-N 2.62Å; E448-V450 VanDerWaalsContact O-N 3.15Å |
| 451 | K | 53.3 | Low | 51.5 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -97.6 | -25.8 | 179.6 | -71.8 | -176.1 | 174.9 | -174.5 | 0 | 114.9 | E448 H449 | E448-K451 PolarHBondContact O-N 2.83Å; H449-K451 VanDerWaalsContact C-N 3.28Å; H449-K451 PolarHBondContact O-N 2.61Å |
| 452 | D | 44.9 | Very low | 49.6 | Very low | 150 Ų | 150 | 121.1 Ų | 121.1 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -82.1 | -25 | -175.1 | -120.4 | -116 | 0 | 0 | 0 | 113.5 | G454 | D452-G454 PolarHBondContact O-N 3.02Å |
| 453 | G | 47.1 | Very low | 47.9 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 81% | 0.814 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 30.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 454 | G | 48.3 | Very low | 46.2 | Very low | 60 Ų | 60 | 127.3 Ų | 127.3 | 62% | 0.619 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -16.4 | -160 | 0 | 0 | 0 | 0 | 0 | 117.6 | D452 | D452-G454 PolarHBondContact O-N 3.02Š|
| 455 | T | 45.9 | Very low | 45.8 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -151.2 | 112.3 | -176.1 | 50.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 456 | D | 36.6 | Very low | 44.1 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | -173.7 | 168.6 | 100.6 | -134.5 | -56.8 | 0 | 0 | 0 | 113.1 | |||||
| 457 | K | 41.9 | Very low | 42.8 | Very low | 187 Ų | 187 | 126.2 Ų | 126.2 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 54.7 | 93.3 | 163.7 | -67.5 | -176.2 | 179.7 | 174.8 | 0 | 120.1 | ||||
| 458 | V | 45.3 | Very low | 41.5 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -75.4 | 130.2 | 142.8 | 39.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 459 | S | 36.1 | Very low | 40.4 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -170.7 | 108.2 | 160.5 | 175 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 460 | N | 31.7 | Very low | 39.2 | Very low | 164 Ų | 164 | 132 Ų | 132 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | 21.2 | 142.8 | 155.7 | -72.2 | 5.9 | 0 | 0 | 0 | 123.8 | ||||
| 461 | G | 30.8 | Very low | 38.1 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 123.5 | 86.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 462 | D | 32.4 | Very low | 37.1 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | 83 | 153.6 | 68.3 | -167.4 | -136.5 | 0 | 0 | 0 | 113.5 | |||||
| 463 | A | 32.2 | Very low | 36.5 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | 74.2 | 129.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 464 | S | 32.8 | Very low | 35.8 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -126.1 | 169.3 | 161.8 | -163.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 465 | P | 55.1 | Low | 35 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -140.5 | -143.2 | 15 | 38.8 | -13.9 | 0 | 0 | 0 | 113.5 | ||||
| 466 | E | 30.1 | Very low | 34.4 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 72.2 | 155.3 | 168.8 | -72.5 | -168.7 | 83.7 | 0 | 0 | 118.8 | ||||
| 467 | E | 30.8 | Very low | 34.4 | Very low | 132 Ų | 132 | 136 Ų | 136 | 62% | 0.617 | 76% | 0.76 | S | S | * | * | cis | -166.1 | 168.8 | -42.3 | -137.5 | -149.6 | 121.2 | 0 | 0 | 110.3 | ||||
| 468 | K | 32 | Very low | 34.1 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 65% | 0.648 | 76% | 0.759 | S | S | * | * | trans | 65.9 | 128 | 163 | -67.2 | -179.7 | -178 | 73.7 | 0 | 117.9 | ||||
| 469 | K | 32.5 | Very low | 33.4 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | 65 | 147.8 | 99.4 | -66.1 | -169.8 | 165.2 | -169.8 | 0 | 115.7 | |||||
| 470 | T | 28.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | cis | -153.7 | 176.2 | 18.1 | -17.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 471 | D | 30.6 | Very low | 33.4 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -67.9 | 178.3 | 178.1 | -53.2 | -109.2 | 0 | 0 | 0 | 118 | ||||
| 472 | K | 33.6 | Very low | 33.6 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 70% | 0.704 | 76% | 0.76 | S | S | * | * | trans | 79.3 | 137 | 168.5 | -73.5 | -160 | 152.5 | -147.9 | 0 | 118.1 | E474 | K472-E474 IonicContact NZ-OE2 2.63Å; K472-E474 PolarHBondContact NZ-OE2 2.65Å | ||
| 473 | M | 32.4 | Very low | 33.8 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | cis | 94.7 | 140.8 | 19.2 | -163.1 | -160.8 | 161.9 | 0 | 0 | 114.4 | ||||
| 474 | E | 32.4 | Very low | 35 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | trans | 74.6 | 155.2 | 177.3 | -50.9 | 174.6 | 110.5 | 0 | 0 | 114.6 | K472 | K472-E474 IonicContact NZ-OE2 2.63Å; K472-E474 PolarHBondContact NZ-OE2 2.65Å | ||
| 475 | D | 30.4 | Very low | 35.7 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | cis | -166.9 | -175.5 | -33.9 | -176.1 | -138.7 | 0 | 0 | 0 | 108.3 | ||||
| 476 | A | 34.6 | Very low | 34.9 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 63% | 0.628 | 76% | 0.757 | S | S | * | * | trans | 76.4 | 93.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 477 | S | 35 | Very low | 35.2 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -14.5 | 135.8 | 133.8 | 160.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 478 | A | 35.7 | Very low | 35.6 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | 168.2 | 157.8 | 117.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 479 | G | 31 | Very low | 35.9 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 88.7 | 145.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 480 | E | 34.2 | Very low | 36.2 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | cis | -152.6 | 168.4 | -13.8 | -163.3 | 150.2 | 100 | 0 | 0 | 110 | ||||
| 481 | N | 34.3 | Very low | 36.9 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -79.6 | 144.5 | -173.1 | -63.1 | -84.9 | 0 | 0 | 0 | 112.8 | ||||
| 482 | H | 34.5 | Very low | 37.2 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -156.6 | 149 | 132.3 | -118.6 | -72.4 | 0 | 0 | 0 | 115.3 | ||||
| 483 | S | 37.7 | Very low | 37.4 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -165.2 | 175.2 | 169.1 | -75.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 484 | P | 57.6 | Low | 37.7 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | cis | -109.6 | -141.7 | -17.3 | 28.7 | -6.6 | 0 | 0 | 0 | 109.4 | ||||
| 485 | P | 45.7 | Very low | 38 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | -131.8 | 175.1 | 78 | 39.4 | -28.9 | 0 | 0 | 0 | 114.7 | |||||
| 486 | K | 39.2 | Very low | 38.4 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -147.9 | 173.9 | 179.3 | -170.6 | 176.9 | -180 | -176.9 | 0 | 107.4 | ||||
| 487 | L | 36.3 | Very low | 38.7 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | 85.1 | 147.8 | 172.6 | -47.9 | 171.6 | 0 | 0 | 0 | 114.2 | ||||
| 488 | Q | 39.3 | Very low | 39 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 66% | 0.664 | 82% | 0.82 | S | S | * | * | cis | -170.2 | 156.8 | -21.2 | 175.2 | 168.8 | -42.9 | 0 | 0 | 108.3 | ||||
| 489 | E | 37.3 | Very low | 39.2 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | 69 | 159.2 | 161.9 | -103 | 167.8 | 86 | 0 | 0 | 117.7 | ||||
| 490 | S | 39.2 | Very low | 39.9 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | cis | -140.8 | 148 | -2.7 | -45.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 491 | A | 43.8 | Very low | 40.4 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 100% | 1.512 | 82% | 0.824 | S | S | * | * | trans | -176.3 | 0 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110 |
Retrieved 491 of 491 residues in 404.7 ms
(Link to these results)