| 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 | 34.6 | Very low | 65.9 | Low | 243 Ų | 243 | 95.1 Ų | 95.1 | 100% | 1.197 | 45% | 0.453 | S | S | * | . | 0 | 113.5 | 0 | -169.5 | 169.7 | -176.3 | 0 | 0 | 105.9 | |||||
| 2 | Q | 33.2 | Very low | 68.2 | Low | 184 Ų | 184 | 87.2 Ų | 87.2 | 86% | 0.86 | 42% | 0.415 | S | S | * | . | trans | -65.8 | 137.4 | -177.4 | -73.6 | 169.2 | -28.6 | 0 | 0 | 109.5 | K4 | Q2-K4 VanDerWaalsContact C-N 3.29Å; Q2-K4 PolarHBondContact O-N 2.66Å | ||
| 3 | L | 39 | Very low | 70.1 | Confident | 174 Ų | 174 | 80.5 Ų | 80.5 | 91% | 0.911 | 38% | 0.383 | S | S | * | . | trans | -66.1 | 96.4 | 163.8 | -76.4 | 111.2 | 0 | 0 | 0 | 107.3 | D5 | L3-D5 PolarHBondContact O-N 2.76Š| ||
| 4 | K | 45.3 | Very low | 71.6 | Confident | 131 Ų | 131 | 78.1 Ų | 78.1 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | trans | -61.7 | 121.8 | 165.9 | -84.7 | -177.6 | 155.5 | -163.1 | 0 | 107.6 | Q2 R6 D60 | Q2-K4 VanDerWaalsContact C-N 3.29Å; Q2-K4 PolarHBondContact O-N 2.66Å; K4-R6 PolarHBondContact O-N 3.47Å; K4-D60 HydrophobicContact CB-CB 4.5Å; K4-D60 HydrophobicContact CD-CB 4.37Å; K4-D60 WeakPolarHBondContact CD-OD2 3.39Å; K4-D60 IonicContact NZ-OD2 3.59Å; K4-D60 PolarHBondContact NZ-OD2 3.25Å | ||
| 5 | D | 61.9 | Low | 73.1 | Confident | 96 Ų | 96 | 73.8 Ų | 73.8 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | trans | -39.8 | 107.6 | 167.6 | -78.4 | 0.9 | 0 | 0 | 0 | 111.9 | L3 D60 K61 | L3-D5 PolarHBondContact O-N 2.76Å; D5-D60 WeakPolarHBondContact O-CA 3.48Å; D5-K61 HydrophobicContact CB-CB 4.28Å; D5-K61 HydrophobicContact CB-CD 3.51Å; D5-K61 HydrophobicContact CB-CG 3.81Å; D5-K61 VanDerWaalsContact CG-NZ 3.29Å; D5-K61 PolarHBondContact O-N 2.92Å; D5-K61 WeakPolarHBondContact OD2-CD 3.34Å; D5-K61 WeakPolarHBondContact OD2-CE 3.48Å; D5-K61 IonicContact OD2-NZ 2.69Å; D5-K61 PolarHBondContact OD2-NZ 3.19Å | ||
| 6 | R | 70.5 | Confident | 74.2 | Confident | 155 Ų | 155 | 69.2 Ų | 69.2 | 59% | 0.585 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 164 | 169.2 | -66 | -165.9 | -179.5 | -168.9 | 0.8 | 110.9 | K4 D58 L59 | K4-R6 PolarHBondContact O-N 3.47Å; R6-D58 VanDerWaalsContact CD-OD2 3.32Å; R6-D58 WeakPolarHBondContact CD-OD2 3.4Å; R6-D58 IonicContact CZ-OD2 2.67Å; R6-D58 IonicContact NE-OD2 3.6Å; R6-D58 IonicContact NH1-OD2 3.51Å; R6-D58 PolarHBondContact NH1-OD2 3.07Å; R6-L59 CarbonylContact C-O 3.55Å; R6-L59 VanDerWaalsContact CA-O 3.28Å; R6-L59 WeakPolarHBondContact CA-O 3.44Å |
| 7 | C | 78.5 | Confident | 75.2 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.034 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 132.6 | 173.3 | 50 | 0 | 0 | 0 | 0 | 108.8 | L59 L64 I129 | C7-L59 PolarHBondContact N-O 3.28Å; C7-L59 PolarHBondContact O-N 3.11Å; C7-L59 VanDerWaalsContact O-N 3.1Å; C7-L59 PolarHBondContact SG-O 3.43Å; C7-L59 VanDerWaalsContact SG-O 3.34Å; C7-L64 HydrophobicContact CB-CD2 4.44Å; C7-L64 VanDerWaalsContact SG-CD2 3.5Å; C7-I129 HydrophobicContact CB-CG2 3.89Å |
| 8 | L | 87.4 | Confident | 76 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 118 | 178 | -75.7 | 158 | 0 | 0 | 0 | 108.7 | V10 A56 D58 I129 D130 | L8-V10 HydrophobicContact CB-CG2 4.15Å; L8-A56 HydrophobicContact CD2-CB 4.26Å; L8-D58 HydrophobicContact CD2-CB 4.48Å; L8-I129 CarbonylContact O-C 3.51Å; L8-I129 VanDerWaalsContact O-CA 3.28Å; L8-I129 WeakPolarHBondContact O-CA 3.45Å; L8-D130 HydrophobicContact CB-CB 4.31Å; L8-D130 PolarHBondContact N-O 3.5Å; L8-D130 VanDerWaalsContact N-O 3.09Å; L8-D130 PolarHBondContact O-N 3.48Å |
| 9 | V | 89.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.9 | 169.9 | 176.8 | 0 | 0 | 0 | 0 | 107.7 | F33 A56 W57 L59 L64 L98 I127 | V9-F33 HydrophobicContact CB-CE1 4.32Å; V9-F33 HydrophobicContact CG1-CE1 4.24Å; V9-F33 HydrophobicContact CG2-CE1 4.38Å; V9-A56 WeakPolarHBondContact O-CA 3.47Å; V9-W57 PolarHBondContact N-O 2.98Å; V9-W57 PolarHBondContact O-N 3.41Å; V9-L59 HydrophobicContact CB-CD1 4.31Å; V9-L59 HydrophobicContact CG2-CD1 4.01Å; V9-L59 HydrophobicContact CG2-CD2 4.36Å; V9-L64 HydrophobicContact CG2-CD1 3.92Å; V9-L98 HydrophobicContact CG1-CD2 3.72Å; V9-I127 HydrophobicContact CG1-CD1 4.24Å; V9-I127 HydrophobicContact CG1-CG1 4.36Å |
| 10 | V | 91.6 | Very high | 77.6 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129 | -172.6 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | L8 E54 A56 I127 Y128 D130 | L8-V10 HydrophobicContact CB-CG2 4.15Å; V10-E54 HydrophobicContact CG1-CB 3.82Å; V10-E54 HydrophobicContact CG1-CG 4.3Å; V10-A56 HydrophobicContact CG2-CB 4.02Å; V10-I127 WeakPolarHBondContact O-CA 3.41Å; V10-I127 WeakPolarHBondContact O-CG1 3.47Å; V10-Y128 HydrophobicContact CB-CD1 4.35Å; V10-Y128 HydrophobicContact CB-CD2 4.02Å; V10-Y128 HydrophobicContact CB-CE1 4.04Å; V10-Y128 HydrophobicContact CB-CE2 3.64Å; V10-Y128 HydrophobicContact CB-CG 4.36Å; V10-Y128 HydrophobicContact CG1-CE1 3.87Å; V10-Y128 HydrophobicContact CG1-CE2 4.02Å; V10-Y128 HydrophobicContact CG2-CD2 4.37Å; V10-Y128 HydrophobicContact CG2-CE2 3.86Å; V10-Y128 PolarHBondContact N-O 2.86Å; V10-Y128 PolarHBondContact O-N 3.27Å; V10-D130 HydrophobicContact CG2-CB 4.07Å |
| 11 | V | 93.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 111.3 | 167.4 | 174 | 0 | 0 | 0 | 0 | 108.4 | L13 E54 L55 W57 L74 V76 L96 S126 I127 | V11-L13 HydrophobicContact CG1-CD2 4.01Å; V11-L13 HydrophobicContact CG1-CG 4.16Å; V11-E54 CarbonylContact O-C 3.45Å; V11-E54 VanDerWaalsContact O-CA 3.31Å; V11-E54 WeakPolarHBondContact O-CA 3.38Å; V11-L55 HydrophobicContact CB-CB 4.47Å; V11-L55 PolarHBondContact N-O 3.27Å; V11-L55 PolarHBondContact O-N 3.24Å; V11-W57 HydrophobicContact CB-CZ3 4.18Å; V11-W57 HydrophobicContact CG2-CZ3 3.79Å; V11-L74 HydrophobicContact CG2-CD2 3.51Å; V11-V76 HydrophobicContact CG1-CG2 4.37Å; V11-L96 HydrophobicContact CB-CD1 4.28Å; V11-L96 HydrophobicContact CG1-CD1 3.52Å; V11-L96 HydrophobicContact CG2-CD1 3.72Å; V11-S126 WeakPolarHBondContact CA-O 3.44Å; V11-I127 HydrophobicContact CG2-CB 4.48Å; V11-I127 HydrophobicContact CG2-CD1 3.82Å; V11-I127 HydrophobicContact CG2-CG1 3.78Å |
| 12 | A | 93.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E54 Y107 A125 S126 Y128 | A12-E54 HydrophobicContact CB-CG 3.95Å; A12-E54 VanDerWaalsContact CB-OE1 3.23Å; A12-E54 WeakPolarHBondContact CB-OE1 3.34Å; A12-Y107 HydrophobicContact CB-CE1 3.69Å; A12-A125 CarbonylContact O-C 3.34Å; A12-A125 WeakPolarHBondContact O-CA 3.47Å; A12-A125 VanDerWaalsContact O-CB 3.28Å; A12-A125 WeakPolarHBondContact O-CB 3.43Å; A12-S126 PolarHBondContact N-O 2.68Å; A12-S126 PolarHBondContact O-N 3.29Å; A12-Y128 HydrophobicContact CB-CE1 4.03Å |
| 13 | L | 92.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 110.9 | 179 | -59.7 | 171.9 | 0 | 0 | 0 | 107.1 | V11 C29 T40 F51 E52 Q53 L55 F94 V123 A125 | V11-L13 HydrophobicContact CG1-CD2 4.01Å; V11-L13 HydrophobicContact CG1-CG 4.16Å; L13-C29 HydrophobicContact CD1-CB 3.56Å; L13-T40 HydrophobicContact CD1-CG2 3.47Å; L13-T40 VanDerWaalsContact CD1-CG2 3.47Å; L13-F51 HydrophobicContact CB-CB 3.95Å; L13-F51 HydrophobicContact CB-CG 4.39Å; L13-F51 CarbonylContact O-C 3.6Å; L13-F51 VanDerWaalsContact O-CB 3.26Å; L13-F51 WeakPolarHBondContact O-CB 3.36Å; L13-E52 WeakPolarHBondContact O-CA 3.46Å; L13-E52 PolarHBondContact O-N 3.42Å; L13-Q53 PolarHBondContact N-O 2.9Å; L13-Q53 PolarHBondContact O-N 2.9Å; L13-L55 HydrophobicContact CD1-CD1 4.24Å; L13-F94 HydrophobicContact CD2-CZ 3.76Å; L13-V123 HydrophobicContact CD2-CG1 4.23Å; L13-A125 HydrophobicContact CD2-CB 3.88Å |
| 14 | I | 91.1 | Very high | 85.7 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -60.7 | -171.6 | -56.7 | -56.4 | 0 | 0 | 0 | 110.9 | F51 E52 Y107 F124 | I14-F51 PolarHBondContact O-N 3.46Å; I14-E52 PolarHBondContact O-N 3.45Å; I14-Y107 HydrophobicContact CD1-CD1 4.46Å; I14-Y107 HydrophobicContact CD1-CE1 3.78Å; I14-Y107 HydrophobicContact CG1-CD1 3.7Å; I14-Y107 HydrophobicContact CG1-CE1 3.52Å; I14-F124 HydrophobicContact CB-CD1 4.03Å; I14-F124 HydrophobicContact CG1-CD1 4.4Å; I14-F124 HydrophobicContact CG2-CD1 4.25Å; I14-F124 PolarHBondContact N-O 2.78Å |
| 15 | T | 93.9 | Very high | 87.9 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 8% | 0.08 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 156.5 | -172.4 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | P49 Q50 W109 V123 F124 | T15-P49 CarbonylContact C-O 3.47Å; T15-P49 VanDerWaalsContact CA-O 3.26Å; T15-P49 WeakPolarHBondContact CA-O 3.3Å; T15-P49 PolarHBondContact OG1-O 3.42Å; T15-Q50 VanDerWaalsContact CB-OE1 3.28Å; T15-Q50 VanDerWaalsContact OG1-CD 3.24Å; T15-Q50 PolarHBondContact OG1-NE2 2.91Å; T15-Q50 PolarHBondContact OG1-OE1 2.85Å; T15-W109 HydrophobicContact CG2-CH2 3.89Å; T15-W109 HydrophobicContact CG2-CZ2 4.38Å; T15-V123 CarbonylContact O-C 3.55Å; T15-F124 HydrophobicContact CG2-CB 3.83Å; T15-F124 HydrophobicContact CG2-CD1 4.42Å; T15-F124 PolarHBondContact O-N 2.99Å |
| 16 | G | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 166.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E48 P49 A122 | G16-E48 WeakPolarHBondContact O-CA 3.4Å; G16-P49 PolarHBondContact N-O 2.93Å; G16-A122 CarbonylContact C-O 3.59Å; G16-A122 WeakPolarHBondContact CA-O 3.47Å |
| 17 | R | 91 | Very high | 90.5 | Very high | 89 Ų | 89 | 37 Ų | 37 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 154.7 | 167 | 71.7 | -174.9 | 179.5 | -170.4 | -0.3 | 111.9 | F19 E47 W109 P121 A122 | R17-F19 WeakPolarHBondContact O-CD2 3.3Å; R17-F19 PolarHBondContact O-N 3.48Å; R17-E47 CarbonylContact C-O 3.6Å; R17-W109 HydrophobicContact CB-CH2 3.91Å; R17-W109 HydrophobicContact CB-CZ3 3.85Å; R17-W109 HydrophobicContact CG-CE3 3.91Å; R17-W109 HydrophobicContact CG-CH2 3.87Å; R17-W109 HydrophobicContact CG-CZ3 3.44Å; R17-W109 VanDerWaalsContact CG-CZ3 3.44Å; R17-P121 VanDerWaalsContact O-CA 3.3Å; R17-P121 WeakPolarHBondContact O-CA 3.37Å; R17-A122 HydrophobicContact CG-CB 4.2Å; R17-A122 PolarHBondContact N-O 3.44Å; R17-A122 PolarHBondContact O-N 3.04Å |
| 18 | N | 89.8 | Confident | 91.3 | Very high | 68 Ų | 68 | 37.2 Ų | 37.2 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 62.1 | 29.1 | 176.8 | -52.5 | 1.8 | 0 | 0 | 0 | 113.6 | E47 G119 | N18-E47 PolarHBondContact N-O 2.96Å; N18-G119 WeakPolarHBondContact CB-O 3.47Å |
| 19 | F | 92.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 149.4 | 165.6 | -73.1 | -103.4 | 0 | 0 | 0 | 109.5 | R17 L27 N46 E47 P49 V78 I112 Y117 P121 V123 | R17-F19 WeakPolarHBondContact O-CD2 3.3Å; R17-F19 PolarHBondContact O-N 3.48Å; F19-L27 HydrophobicContact CD1-CD1 3.7Å; F19-L27 HydrophobicContact CD1-CD2 4.11Å; F19-L27 HydrophobicContact CE1-CD1 3.75Å; F19-L27 HydrophobicContact CE1-CD2 3.89Å; F19-L27 HydrophobicContact CG-CD1 4.32Å; F19-L27 HydrophobicContact CZ-CD1 4.41Å; F19-N46 VanDerWaalsContact CB-O 3.27Å; F19-N46 WeakPolarHBondContact CB-O 3.39Å; F19-E47 PolarHBondContact N-O 3.34Å; F19-E47 WeakPolarHBondContact O-CA 3.38Å; F19-P49 HydrophobicContact CD2-CG 3.86Å; F19-P49 HydrophobicContact CE2-CG 3.98Å; F19-P49 HydrophobicContact CG-CG 4.23Å; F19-P49 HydrophobicContact CZ-CG 4.4Å; F19-V78 HydrophobicContact CE1-CG1 4.29Å; F19-I112 HydrophobicContact CE1-CD1 3.95Å; F19-I112 HydrophobicContact CE2-CD1 4.47Å; F19-I112 HydrophobicContact CZ-CD1 3.59Å; F19-Y117 HydrophobicContact CD1-CE2 4.37Å; F19-P121 HydrophobicContact CD1-CB 4.22Å; F19-P121 HydrophobicContact CD2-CB 3.87Å; F19-P121 HydrophobicContact CE1-CB 4.28Å; F19-P121 HydrophobicContact CE2-CB 3.92Å; F19-P121 HydrophobicContact CG-CB 4.03Å; F19-P121 HydrophobicContact CZ-CB 4.15Å; F19-V123 HydrophobicContact CE2-CG2 4.39Å; F19-V123 HydrophobicContact CZ-CG2 4.07Å |
| 20 | P | 91.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 34% | 0.344 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -82 | 130.3 | 168 | 32.3 | -31.2 | 0 | 0 | 0 | 110 | R22 H45 Y117 | P20-R22 PolarHBondContact O-N 3.45Å; P20-H45 PolarHBondContact O-CE1 3.2Å; P20-H45 PolarHBondContact O-ND1 2.88Å; P20-Y117 HydrophobicContact CG-CD1 3.83Å; P20-Y117 HydrophobicContact CG-CD2 3.56Å; P20-Y117 HydrophobicContact CG-CE1 4.07Å; P20-Y117 HydrophobicContact CG-CE2 3.77Å; P20-Y117 HydrophobicContact CG-CG 3.58Å |
| 21 | N | 90.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 37.6 Ų | 37.6 | 51% | 0.508 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 123.8 | 176.9 | -171.8 | -11.1 | 0 | 0 | 0 | 111.9 | P23 H45 E47 | N21-P23 WeakPolarHBondContact OD1-CD 3.19Å; N21-H45 PolarHBondContact OD1-O 3.45Å; N21-E47 HydrophobicContact CB-CG 4.28Å |
| 22 | R | 90.3 | Very high | 92 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | trans | -133.2 | 81.6 | 177.5 | -74.8 | 174.1 | 67 | 162.1 | -9.9 | 109.1 | P20 T24 H25 H45 E89 Y117 | P20-R22 PolarHBondContact O-N 3.45Å; R22-T24 PolarHBondContact O-N 3.27Å; R22-H25 HydrophobicContact CB-CB 4.06Å; R22-H25 PolarHBondContact NH2-CD2 3.29Å; R22-H25 PolarHBondContact NH2-NE2 3.47Å; R22-H25 WeakPolarHBondContact O-CB 3.39Å; R22-H25 PolarHBondContact O-N 3.4Å; R22-H45 CarbonylContact C-O 3.49Å; R22-H45 HydrophobicContact CB-CB 4.27Å; R22-H45 PolarHBondContact N-O 3.45Å; R22-E89 IonicContact CZ-OE2 3.8Å; R22-E89 VanDerWaalsContact CZ-OE2 3.25Å; R22-E89 IonicContact NH1-OE2 3.04Å; R22-E89 PolarHBondContact NH1-OE2 2.91Å; R22-E89 IonicContact NH2-OE2 2.8Å; R22-E89 PolarHBondContact NH2-OE2 3.05Å; R22-Y117 PolarHBondContact NH1-OH 3.37Å | ||
| 23 | P | 86.3 | Confident | 91.8 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 75% | 0.747 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7.3 | -166.9 | 26.7 | -36.1 | 0 | 0 | 0 | 116 | N21 | N21-P23 WeakPolarHBondContact OD1-CD 3.19Š|
| 24 | T | 87.7 | Confident | 91.3 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 14.5 | 171.8 | 72.8 | 0 | 0 | 0 | 0 | 112.9 | R22 S83 | R22-T24 PolarHBondContact O-N 3.27Å; T24-S83 PolarHBondContact O-N 3.13Å; T24-S83 PolarHBondContact O-OG 2.86Å; T24-S83 VanDerWaalsContact O-OG 3.13Å |
| 25 | H | 91.3 | Very high | 90.9 | Very high | 31 Ų | 31 | 52 Ų | 52 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154.4 | -176.3 | -66.9 | 66.5 | 0 | 0 | 0 | 111 | R22 H45 A80 V81 | R22-H25 HydrophobicContact CB-CB 4.06Å; R22-H25 PolarHBondContact NH2-CD2 3.29Å; R22-H25 PolarHBondContact NH2-NE2 3.47Å; R22-H25 WeakPolarHBondContact O-CB 3.39Å; R22-H25 PolarHBondContact O-N 3.4Å; H25-H45 HydrophobicContact CB-CB 4.05Å; H25-H45 WeakPolarHBondContact O-CB 3.35Å; H25-H45 PolarHBondContact O-N 2.85Å; H25-H45 VanDerWaalsContact O-N 3.14Å; H25-A80 HydrophobicContact CB-CB 4.5Å; H25-V81 CarbonylContact C-O 3.59Å; H25-V81 WeakPolarHBondContact CA-O 3.34Å |
| 26 | H | 93.4 | Very high | 90.6 | Very high | 59 Ų | 59 | 56.5 Ų | 56.5 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 153 | 171.2 | -55.2 | -81.5 | 0 | 0 | 0 | 110.5 | P42 V43 A80 V81 S83 | H26-P42 HydrophobicContact CB-CB 3.52Å; H26-V43 CarbonylContact C-O 3.58Å; H26-V43 WeakPolarHBondContact CA-O 3.37Å; H26-V43 VanDerWaalsContact CB-O 3.29Å; H26-V43 WeakPolarHBondContact CB-O 3.43Å; H26-A80 CarbonylContact O-C 3.56Å; H26-A80 VanDerWaalsContact O-CA 3.3Å; H26-A80 WeakPolarHBondContact O-CA 3.26Å; H26-V81 PolarHBondContact N-O 2.88Å; H26-V81 PolarHBondContact O-N 2.88Å; H26-S83 PolarHBondContact CD2-OG 2.75Å; H26-S83 VanDerWaalsContact CD2-OG 3.26Å; H26-S83 PolarHBondContact NE2-OG 2.76Å |
| 27 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.3 | 174.5 | -71.8 | 167.4 | 0 | 0 | 0 | 109.9 | F19 V43 H45 P49 F51 V78 S79 I91 | F19-L27 HydrophobicContact CD1-CD1 3.7Å; F19-L27 HydrophobicContact CD1-CD2 4.11Å; F19-L27 HydrophobicContact CE1-CD1 3.75Å; F19-L27 HydrophobicContact CE1-CD2 3.89Å; F19-L27 HydrophobicContact CG-CD1 4.32Å; F19-L27 HydrophobicContact CZ-CD1 4.41Å; L27-V43 HydrophobicContact CB-CB 4.49Å; L27-V43 PolarHBondContact N-O 3.27Å; L27-V43 PolarHBondContact O-N 3.43Å; L27-H45 HydrophobicContact CD1-CB 4.4Å; L27-H45 HydrophobicContact CG-CB 4.03Å; L27-P49 HydrophobicContact CD1-CB 3.66Å; L27-P49 HydrophobicContact CD1-CG 3.54Å; L27-F51 HydrophobicContact CB-CE1 4.08Å; L27-F51 HydrophobicContact CB-CZ 4.3Å; L27-F51 HydrophobicContact CD1-CZ 4.35Å; L27-V78 HydrophobicContact CD2-CG1 4.17Å; L27-S79 WeakPolarHBondContact CA-O 3.29Å; L27-I91 HydrophobicContact CD2-CD1 3.26Å |
| 28 | V | 94.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.7 | 172.6 | 173.2 | 0 | 0 | 0 | 0 | 108.4 | P42 S79 V81 | V28-P42 HydrophobicContact CG2-CB 4.06Å; V28-P42 HydrophobicContact CG2-CG 4.2Å; V28-S79 PolarHBondContact N-O 3.49Å; V28-S79 PolarHBondContact O-N 3.36Å; V28-V81 HydrophobicContact CB-CG2 4.24Å; V28-V81 HydrophobicContact CG2-CG2 3.84Å |
| 29 | C | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.1 | 169.6 | -67.1 | 0 | 0 | 0 | 0 | 109.1 | L13 S39 T40 V76 T77 | L13-C29 HydrophobicContact CD1-CB 3.56Å; C29-S39 CarbonylContact O-C 3.57Å; C29-S39 WeakPolarHBondContact O-CA 3.47Å; C29-T40 HydrophobicContact CB-CG2 3.93Å; C29-T40 PolarHBondContact N-OG1 3.43Å; C29-T40 PolarHBondContact O-N 2.89Å; C29-V76 HydrophobicContact CB-CG1 4.01Å; C29-T77 CarbonylContact C-O 3.52Å; C29-T77 WeakPolarHBondContact CA-O 3.48Å |
| 30 | E | 95.3 | Very high | 91.1 | Very high | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.5 | -175.2 | -174.2 | -177.7 | 115.8 | 0 | 0 | 110.2 | V37 L38 T77 K88 | E30-V37 HydrophobicContact CG-CG1 3.56Å; E30-L38 WeakPolarHBondContact CA-O 3.48Å; E30-T77 PolarHBondContact N-O 3.28Å; E30-T77 PolarHBondContact O-N 2.9Å; E30-K88 IonicContact OE2-NZ 3.74Å; E30-K88 PolarHBondContact OE2-NZ 2.91Å |
| 31 | A | 94.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V37 L38 L55 W57 L74 V76 | A31-V37 WeakPolarHBondContact O-CA 3.2Å; A31-L38 PolarHBondContact N-O 2.87Å; A31-L38 PolarHBondContact O-N 2.93Å; A31-L55 HydrophobicContact CB-CD1 4.35Å; A31-W57 HydrophobicContact CB-CH2 3.61Å; A31-W57 HydrophobicContact CB-CZ2 3.84Å; A31-L74 HydrophobicContact CB-CD1 4.24Å; A31-L74 HydrophobicContact CB-CG 4.47Å; A31-V76 HydrophobicContact CB-CG2 4.21Å |
| 32 | K | 92.3 | Very high | 91.3 | Very high | 126 Ų | 126 | 60.6 Ų | 60.6 | 55% | 0.548 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.3 | -179.6 | -178.1 | 166.6 | -172.7 | 171 | 0 | 111.2 | E36 V37 L74 | K32-E36 WeakPolarHBondContact CA-O 3.41Å; K32-E36 WeakPolarHBondContact CG-O 3.03Å; K32-V37 HydrophobicContact CB-CG2 4.02Å; K32-V37 HydrophobicContact CD-CG2 3.85Å; K32-V37 HydrophobicContact CG-CG2 3.85Å; K32-L74 VanDerWaalsContact O-CD1 3.24Å; K32-L74 WeakPolarHBondContact O-CD1 3.41Å |
| 33 | F | 89.5 | Confident | 91.4 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 142.8 | 176.5 | -161.7 | -150.2 | 0 | 0 | 0 | 109.9 | V9 N35 E36 W57 L59 H67 L74 L98 | V9-F33 HydrophobicContact CB-CE1 4.32Å; V9-F33 HydrophobicContact CG1-CE1 4.24Å; V9-F33 HydrophobicContact CG2-CE1 4.38Å; F33-N35 PolarHBondContact O-N 3.42Å; F33-E36 PolarHBondContact N-O 3.17Å; F33-E36 WeakPolarHBondContact O-CA 3.48Å; F33-E36 PolarHBondContact O-N 2.6Å; F33-W57 HydrophobicContact CB-CD2 3.93Å; F33-W57 HydrophobicContact CB-CG 3.94Å; F33-W57 HydrophobicContact CB-CZ2 4.49Å; F33-W57 HydrophobicContact CD1-CB 3.91Å; F33-W57 HydrophobicContact CD1-CD2 4.15Å; F33-W57 HydrophobicContact CD1-CE3 4.48Å; F33-W57 AromaticContact CD1-CG 3.91Å; F33-W57 HydrophobicContact CD1-CG 3.91Å; F33-W57 HydrophobicContact CG-CG 4.44Å; F33-L59 HydrophobicContact CD1-CD1 3.94Å; F33-L59 HydrophobicContact CE1-CD1 3.5Å; F33-L59 VanDerWaalsContact CE1-CD1 3.5Å; F33-L59 HydrophobicContact CE1-CD2 3.67Å; F33-L59 HydrophobicContact CE1-CG 4.24Å; F33-L59 HydrophobicContact CZ-CD1 4.34Å; F33-L59 HydrophobicContact CZ-CD2 3.7Å; F33-H67 AromaticContact CE2-CD2 3.85Å; F33-H67 AromaticContact CE2-CE1 3.82Å; F33-H67 AromaticContact CE2-CG 3.99Å; F33-H67 AromaticContact CE2-ND1 3.97Å; F33-H67 AromaticContact CE2-NE2 3.76Å; F33-H67 AromaticContact CZ-CD2 3.68Å; F33-H67 AromaticContact CZ-NE2 3.99Å; F33-L74 HydrophobicContact CB-CD1 3.82Å; F33-L74 HydrophobicContact CG-CD1 4.24Å; F33-L98 HydrophobicContact CD2-CD1 4.38Å; F33-L98 HydrophobicContact CE1-CD1 4.3Å; F33-L98 HydrophobicContact CE1-CD2 3.98Å; F33-L98 HydrophobicContact CE2-CD1 3.46Å; F33-L98 VanDerWaalsContact CE2-CD1 3.46Å; F33-L98 HydrophobicContact CZ-CD1 3.41Å; F33-L98 VanDerWaalsContact CZ-CD1 3.41Å; F33-L98 HydrophobicContact CZ-CD2 3.84Å; F33-L98 HydrophobicContact CZ-CG 4.31Å |
| 34 | N | 82.3 | Confident | 91.7 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 41.8 | 180 | -69 | -4 | 0 | 0 | 0 | 116.1 | E36 L59 H67 | N34-E36 PolarHBondContact O-N 3.2Å; N34-L59 WeakPolarHBondContact ND2-CG 3.36Å; N34-H67 PolarHBondContact OD1-NE2 2.91Å; N34-H67 VanDerWaalsContact OD1-NE2 3.09Å |
| 35 | N | 81.1 | Confident | 91.9 | Very high | 143 Ų | 143 | 55.9 Ų | 55.9 | 77% | 0.765 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -15.8 | -174 | -60 | -48.3 | 0 | 0 | 0 | 116.5 | F33 | F33-N35 PolarHBondContact O-N 3.42Š|
| 36 | E | 89.2 | Confident | 91.9 | Very high | 108 Ų | 108 | 56.6 Ų | 56.6 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 149.4 | 173.4 | -63.3 | 177.7 | 163.5 | 0 | 0 | 111.6 | K32 F33 N34 | K32-E36 WeakPolarHBondContact CA-O 3.41Å; K32-E36 WeakPolarHBondContact CG-O 3.03Å; F33-E36 PolarHBondContact N-O 3.17Å; F33-E36 WeakPolarHBondContact O-CA 3.48Å; F33-E36 PolarHBondContact O-N 2.6Å; N34-E36 PolarHBondContact O-N 3.2Å |
| 37 | V | 92.2 | Very high | 91.7 | Very high | 75 Ų | 75 | 59.2 Ų | 59.2 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.3 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | E30 A31 K32 | E30-V37 HydrophobicContact CG-CG1 3.56Å; A31-V37 WeakPolarHBondContact O-CA 3.2Å; K32-V37 HydrophobicContact CB-CG2 4.02Å; K32-V37 HydrophobicContact CD-CG2 3.85Å; K32-V37 HydrophobicContact CG-CG2 3.85Å |
| 38 | L | 94 | Very high | 91.5 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 28% | 0.277 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 145.4 | 174.7 | -56.9 | 179.7 | 0 | 0 | 0 | 109.2 | E30 A31 L55 A56 W57 | E30-L38 WeakPolarHBondContact CA-O 3.48Å; A31-L38 PolarHBondContact N-O 2.87Å; A31-L38 PolarHBondContact O-N 2.93Å; L38-L55 HydrophobicContact CB-CB 4.18Å; L38-L55 HydrophobicContact CB-CD1 4.44Å; L38-L55 HydrophobicContact CB-CD2 4.12Å; L38-L55 HydrophobicContact CB-CG 4.48Å; L38-L55 HydrophobicContact CD1-CB 4.29Å; L38-A56 VanDerWaalsContact CD1-O 3.23Å; L38-A56 WeakPolarHBondContact CD1-O 3.37Å; L38-W57 HydrophobicContact CB-CH2 4.32Å; L38-W57 HydrophobicContact CB-CZ2 3.72Å; L38-W57 HydrophobicContact CD1-CD2 3.86Å; L38-W57 HydrophobicContact CD1-CE3 4.38Å; L38-W57 HydrophobicContact CD1-CG 4.21Å; L38-W57 HydrophobicContact CD1-CH2 4.31Å; L38-W57 HydrophobicContact CD1-CZ2 3.81Å; L38-W57 HydrophobicContact CG-CZ2 3.83Å |
| 39 | S | 94 | Very high | 91.3 | Very high | 62 Ų | 62 | 61.1 Ų | 61.1 | 43% | 0.434 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.4 | 178.3 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | C29 | C29-S39 CarbonylContact O-C 3.57Å; C29-S39 WeakPolarHBondContact O-CA 3.47Å |
| 40 | T | 94.5 | Very high | 91 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 156 | 169.8 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | L13 C29 Q53 L55 | L13-T40 HydrophobicContact CD1-CG2 3.47Å; L13-T40 VanDerWaalsContact CD1-CG2 3.47Å; C29-T40 HydrophobicContact CB-CG2 3.93Å; C29-T40 PolarHBondContact N-OG1 3.43Å; C29-T40 PolarHBondContact O-N 2.89Å; T40-Q53 VanDerWaalsContact CA-OE1 3.24Å; T40-Q53 HydrophobicContact CG2-CB 4.26Å; T40-L55 HydrophobicContact CG2-CD2 4.29Å |
| 41 | D | 92.5 | Very high | 90.8 | Very high | 119 Ų | 119 | 62.1 Ų | 62.1 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 157 | 159.3 | -71.5 | -41.7 | 0 | 0 | 0 | 111 | V43 | D41-V43 PolarHBondContact O-N 2.94Š|
| 42 | P | 92.6 | Very high | 90.6 | Very high | 83 Ų | 83 | 69.1 Ų | 69.1 | 54% | 0.539 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 118.6 | -175.8 | -14.2 | 30.6 | 0 | 0 | 0 | 112.7 | H26 V28 | H26-P42 HydrophobicContact CB-CB 3.52Å; V28-P42 HydrophobicContact CG2-CB 4.06Å; V28-P42 HydrophobicContact CG2-CG 4.2Å |
| 43 | V | 92 | Very high | 90.5 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 148.3 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | H26 L27 D41 H45 P49 Q50 F51 | H26-V43 CarbonylContact C-O 3.58Å; H26-V43 WeakPolarHBondContact CA-O 3.37Å; H26-V43 VanDerWaalsContact CB-O 3.29Å; H26-V43 WeakPolarHBondContact CB-O 3.43Å; L27-V43 HydrophobicContact CB-CB 4.49Å; L27-V43 PolarHBondContact N-O 3.27Å; L27-V43 PolarHBondContact O-N 3.43Å; D41-V43 PolarHBondContact O-N 2.94Å; V43-H45 PolarHBondContact O-N 3.28Å; V43-P49 HydrophobicContact CG1-CB 3.75Å; V43-Q50 WeakPolarHBondContact CG1-O 3.46Å; V43-Q50 WeakPolarHBondContact CG2-O 3.39Å; V43-F51 HydrophobicContact CB-CD1 4.29Å; V43-F51 HydrophobicContact CB-CE1 4.37Å; V43-F51 HydrophobicContact CG2-CD1 3.69Å; V43-F51 HydrophobicContact CG2-CE1 4.23Å; V43-F51 HydrophobicContact CG2-CG 4.36Å |
| 44 | E | 92 | Very high | 90.7 | Very high | 134 Ų | 134 | 69.3 Ų | 69.3 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 132.6 | 173.7 | -66.8 | -170.8 | 165.2 | 0 | 0 | 113.1 | N46 | E44-N46 VanDerWaalsContact C-N 3.34Å; E44-N46 PolarHBondContact O-N 2.87Å |
| 45 | H | 92.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | trans | -84.6 | 75.6 | 178.5 | -163.2 | -30.5 | 0 | 0 | 0 | 111.6 | P20 N21 R22 H25 L27 V43 Y117 | P20-H45 PolarHBondContact O-CE1 3.2Å; P20-H45 PolarHBondContact O-ND1 2.88Å; N21-H45 PolarHBondContact OD1-O 3.45Å; R22-H45 CarbonylContact C-O 3.49Å; R22-H45 HydrophobicContact CB-CB 4.27Å; R22-H45 PolarHBondContact N-O 3.45Å; H25-H45 HydrophobicContact CB-CB 4.05Å; H25-H45 WeakPolarHBondContact O-CB 3.35Å; H25-H45 PolarHBondContact O-N 2.85Å; H25-H45 VanDerWaalsContact O-N 3.14Å; L27-H45 HydrophobicContact CD1-CB 4.4Å; L27-H45 HydrophobicContact CG-CB 4.03Å; V43-H45 PolarHBondContact O-N 3.28Å; H45-Y117 AromaticContact CE1-CE2 3.67Å; H45-Y117 AromaticContact NE2-CE2 3.56Å; H45-Y117 AromaticContact NE2-CZ 3.61Å; H45-Y117 PolarHBondContact NE2-OH 2.98Å | ||
| 46 | N | 91.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 62 Ų | 62 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -108.9 | -171.2 | 173.3 | 67.4 | 51.6 | 0 | 0 | 0 | 111.1 | F19 E44 E48 | F19-N46 VanDerWaalsContact CB-O 3.27Å; F19-N46 WeakPolarHBondContact CB-O 3.39Å; E44-N46 VanDerWaalsContact C-N 3.34Å; E44-N46 PolarHBondContact O-N 2.87Å; N46-E48 PolarHBondContact OD1-N 3.1Å; N46-E48 PolarHBondContact OD1-O 3.25Å |
| 47 | E | 89.6 | Confident | 91.8 | Very high | 113 Ų | 113 | 56.9 Ų | 56.9 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -74.1 | -26.1 | -175 | -56.3 | -164.3 | 168.8 | 0 | 0 | 114.9 | R17 N18 F19 N21 | R17-E47 CarbonylContact C-O 3.6Å; N18-E47 PolarHBondContact N-O 2.96Å; F19-E47 PolarHBondContact N-O 3.34Å; F19-E47 WeakPolarHBondContact O-CA 3.38Å; N21-E47 HydrophobicContact CB-CG 4.28Å |
| 48 | E | 88.8 | Confident | 91.7 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -133.8 | 69.5 | -179.3 | -60.4 | -156.5 | 126.7 | 0 | 0 | 109.9 | G16 N46 Q50 R192 | G16-E48 WeakPolarHBondContact O-CA 3.4Å; N46-E48 PolarHBondContact OD1-N 3.1Å; N46-E48 PolarHBondContact OD1-O 3.25Å; E48-Q50 PolarHBondContact O-NE2 3.28Å; E48-R192 WeakPolarHBondContact OE1-CD 3.3Å; E48-R192 WeakPolarHBondContact OE1-CG 3.36Å; E48-R192 IonicContact OE1-CZ 2.67Å; E48-R192 VanDerWaalsContact OE1-CZ 3.3Å; E48-R192 IonicContact OE1-NE 3.86Å; E48-R192 PolarHBondContact OE1-NE 3.07Å; E48-R192 IonicContact OE1-NH1 3.58Å; E48-R192 PolarHBondContact OE1-NH1 3.03Å |
| 49 | P | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -65.7 | 135.4 | -175.1 | 27.4 | -36.4 | 0 | 0 | 0 | 110.9 | T15 G16 F19 L27 V43 F51 | T15-P49 CarbonylContact C-O 3.47Å; T15-P49 VanDerWaalsContact CA-O 3.26Å; T15-P49 WeakPolarHBondContact CA-O 3.3Å; T15-P49 PolarHBondContact OG1-O 3.42Å; G16-P49 PolarHBondContact N-O 2.93Å; F19-P49 HydrophobicContact CD2-CG 3.86Å; F19-P49 HydrophobicContact CE2-CG 3.98Å; F19-P49 HydrophobicContact CG-CG 4.23Å; F19-P49 HydrophobicContact CZ-CG 4.4Å; L27-P49 HydrophobicContact CD1-CB 3.66Å; L27-P49 HydrophobicContact CD1-CG 3.54Å; V43-P49 HydrophobicContact CG1-CB 3.75Å; P49-F51 HydrophobicContact CB-CE2 4.25Å; P49-F51 HydrophobicContact CB-CZ 4.29Å; P49-F51 HydrophobicContact CG-CE2 3.86Å; P49-F51 HydrophobicContact CG-CZ 4.04Å | ||
| 50 | Q | 89.9 | Confident | 90.7 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.4 | 177.3 | -52.7 | -52.9 | -44.7 | 0 | 0 | 109 | T15 V43 E48 | T15-Q50 VanDerWaalsContact CB-OE1 3.28Å; T15-Q50 VanDerWaalsContact OG1-CD 3.24Å; T15-Q50 PolarHBondContact OG1-NE2 2.91Å; T15-Q50 PolarHBondContact OG1-OE1 2.85Å; V43-Q50 WeakPolarHBondContact CG1-O 3.46Å; V43-Q50 WeakPolarHBondContact CG2-O 3.39Å; E48-Q50 PolarHBondContact O-NE2 3.28Å |
| 51 | F | 90.4 | Very high | 90 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -49.4 | -178.7 | -65.7 | -81.8 | 0 | 0 | 0 | 111.3 | L13 I14 L27 V43 P49 Q53 V123 | L13-F51 HydrophobicContact CB-CB 3.95Å; L13-F51 HydrophobicContact CB-CG 4.39Å; L13-F51 CarbonylContact O-C 3.6Å; L13-F51 VanDerWaalsContact O-CB 3.26Å; L13-F51 WeakPolarHBondContact O-CB 3.36Å; I14-F51 PolarHBondContact O-N 3.46Å; L27-F51 HydrophobicContact CB-CE1 4.08Å; L27-F51 HydrophobicContact CB-CZ 4.3Å; L27-F51 HydrophobicContact CD1-CZ 4.35Å; V43-F51 HydrophobicContact CB-CD1 4.29Å; V43-F51 HydrophobicContact CB-CE1 4.37Å; V43-F51 HydrophobicContact CG2-CD1 3.69Å; V43-F51 HydrophobicContact CG2-CE1 4.23Å; V43-F51 HydrophobicContact CG2-CG 4.36Å; P49-F51 HydrophobicContact CB-CE2 4.25Å; P49-F51 HydrophobicContact CB-CZ 4.29Å; P49-F51 HydrophobicContact CG-CE2 3.86Å; P49-F51 HydrophobicContact CG-CZ 4.04Å; F51-Q53 WeakPolarHBondContact O-CB 3.39Å; F51-Q53 WeakPolarHBondContact O-CG 3.42Å; F51-Q53 PolarHBondContact O-N 3.31Å; F51-Q53 VanDerWaalsContact O-N 3.07Å; F51-Q53 PolarHBondContact O-NE2 2.9Å; F51-V123 HydrophobicContact CD2-CG1 4.28Å; F51-V123 HydrophobicContact CE2-CG1 4.13Å; F51-V123 HydrophobicContact CE2-CG2 4.36Å |
| 52 | E | 89.7 | Confident | 89.6 | Confident | 149 Ų | 149 | 55.1 Ų | 55.1 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 42 | 41.6 | 178.6 | -57.9 | -170.2 | 155.2 | 0 | 0 | 114.4 | L13 I14 | L13-E52 WeakPolarHBondContact O-CA 3.46Å; L13-E52 PolarHBondContact O-N 3.42Å; I14-E52 PolarHBondContact O-N 3.45Å |
| 53 | Q | 91.2 | Very high | 89.2 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 153.7 | -170.8 | -84 | 168.4 | 69.3 | 0 | 0 | 112.3 | L13 T40 F51 | L13-Q53 PolarHBondContact N-O 2.9Å; L13-Q53 PolarHBondContact O-N 2.9Å; T40-Q53 VanDerWaalsContact CA-OE1 3.24Å; T40-Q53 HydrophobicContact CG2-CB 4.26Å; F51-Q53 WeakPolarHBondContact O-CB 3.39Å; F51-Q53 WeakPolarHBondContact O-CG 3.42Å; F51-Q53 PolarHBondContact O-N 3.31Å; F51-Q53 VanDerWaalsContact O-N 3.07Å; F51-Q53 PolarHBondContact O-NE2 2.9Å |
| 54 | E | 92.9 | Very high | 88.9 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.9 | -179.9 | -54.6 | -160.5 | 131.6 | 0 | 0 | 111.7 | V10 V11 A12 Y128 | V10-E54 HydrophobicContact CG1-CB 3.82Å; V10-E54 HydrophobicContact CG1-CG 4.3Å; V11-E54 CarbonylContact O-C 3.45Å; V11-E54 VanDerWaalsContact O-CA 3.31Å; V11-E54 WeakPolarHBondContact O-CA 3.38Å; A12-E54 HydrophobicContact CB-CG 3.95Å; A12-E54 VanDerWaalsContact CB-OE1 3.23Å; A12-E54 WeakPolarHBondContact CB-OE1 3.34Å; E54-Y128 WeakPolarHBondContact OE1-CE1 3.46Å; E54-Y128 PolarHBondContact OE1-OH 3.14Å; E54-Y128 PolarHBondContact OE2-OH 2.88Å |
| 55 | L | 93.2 | Very high | 88.5 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118 | 173.7 | -51.9 | 179.5 | 0 | 0 | 0 | 107.8 | V11 L13 A31 L38 T40 W57 | V11-L55 HydrophobicContact CB-CB 4.47Å; V11-L55 PolarHBondContact N-O 3.27Å; V11-L55 PolarHBondContact O-N 3.24Å; L13-L55 HydrophobicContact CD1-CD1 4.24Å; A31-L55 HydrophobicContact CB-CD1 4.35Å; L38-L55 HydrophobicContact CB-CB 4.18Å; L38-L55 HydrophobicContact CB-CD1 4.44Å; L38-L55 HydrophobicContact CB-CD2 4.12Å; L38-L55 HydrophobicContact CB-CG 4.48Å; L38-L55 HydrophobicContact CD1-CB 4.29Å; T40-L55 HydrophobicContact CG2-CD2 4.29Å; L55-W57 HydrophobicContact CB-CH2 3.54Å; L55-W57 HydrophobicContact CB-CZ2 4.39Å; L55-W57 HydrophobicContact CB-CZ3 3.73Å; L55-W57 HydrophobicContact CD1-CH2 4.15Å; L55-W57 VanDerWaalsContact O-CZ3 3.27Å; L55-W57 WeakPolarHBondContact O-CZ3 3.49Å |
| 56 | A | 92.4 | Very high | 88.2 | Confident | 46 Ų | 46 | 56 Ų | 56 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 V9 V10 L38 | L8-A56 HydrophobicContact CD2-CB 4.26Å; V9-A56 WeakPolarHBondContact O-CA 3.47Å; V10-A56 HydrophobicContact CG2-CB 4.02Å; L38-A56 VanDerWaalsContact CD1-O 3.23Å; L38-A56 WeakPolarHBondContact CD1-O 3.37Å |
| 57 | W | 91.7 | Very high | 88 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.9 | 176.2 | -67.1 | -90.8 | 0 | 0 | 0 | 111.4 | V9 V11 A31 F33 L38 L55 L59 L74 | V9-W57 PolarHBondContact N-O 2.98Å; V9-W57 PolarHBondContact O-N 3.41Å; V11-W57 HydrophobicContact CB-CZ3 4.18Å; V11-W57 HydrophobicContact CG2-CZ3 3.79Å; A31-W57 HydrophobicContact CB-CH2 3.61Å; A31-W57 HydrophobicContact CB-CZ2 3.84Å; F33-W57 HydrophobicContact CB-CD2 3.93Å; F33-W57 HydrophobicContact CB-CG 3.94Å; F33-W57 HydrophobicContact CB-CZ2 4.49Å; F33-W57 HydrophobicContact CD1-CB 3.91Å; F33-W57 HydrophobicContact CD1-CD2 4.15Å; F33-W57 HydrophobicContact CD1-CE3 4.48Å; F33-W57 AromaticContact CD1-CG 3.91Å; F33-W57 HydrophobicContact CD1-CG 3.91Å; F33-W57 HydrophobicContact CG-CG 4.44Å; L38-W57 HydrophobicContact CB-CH2 4.32Å; L38-W57 HydrophobicContact CB-CZ2 3.72Å; L38-W57 HydrophobicContact CD1-CD2 3.86Å; L38-W57 HydrophobicContact CD1-CE3 4.38Å; L38-W57 HydrophobicContact CD1-CG 4.21Å; L38-W57 HydrophobicContact CD1-CH2 4.31Å; L38-W57 HydrophobicContact CD1-CZ2 3.81Å; L38-W57 HydrophobicContact CG-CZ2 3.83Å; L55-W57 HydrophobicContact CB-CH2 3.54Å; L55-W57 HydrophobicContact CB-CZ2 4.39Å; L55-W57 HydrophobicContact CB-CZ3 3.73Å; L55-W57 HydrophobicContact CD1-CH2 4.15Å; L55-W57 VanDerWaalsContact O-CZ3 3.27Å; L55-W57 WeakPolarHBondContact O-CZ3 3.49Å; W57-L59 HydrophobicContact CB-CD1 3.78Å; W57-L74 HydrophobicContact CE3-CD2 4.24Å; W57-L74 HydrophobicContact CH2-CD2 4.03Å; W57-L74 HydrophobicContact CZ3-CD2 3.74Å |
| 58 | D | 88.2 | Confident | 87.9 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 117.2 | -177.6 | -147.2 | 23.8 | 0 | 0 | 0 | 110.5 | R6 L8 | R6-D58 VanDerWaalsContact CD-OD2 3.32Å; R6-D58 WeakPolarHBondContact CD-OD2 3.4Å; R6-D58 IonicContact CZ-OD2 2.67Å; R6-D58 IonicContact NE-OD2 3.6Å; R6-D58 IonicContact NH1-OD2 3.51Å; R6-D58 PolarHBondContact NH1-OD2 3.07Å; L8-D58 HydrophobicContact CD2-CB 4.48Å |
| 59 | L | 85.3 | Confident | 87.8 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.3 | -177.6 | -84.7 | 83.7 | 0 | 0 | 0 | 111.3 | R6 C7 V9 F33 N34 W57 L64 | R6-L59 CarbonylContact C-O 3.55Å; R6-L59 VanDerWaalsContact CA-O 3.28Å; R6-L59 WeakPolarHBondContact CA-O 3.44Å; C7-L59 PolarHBondContact N-O 3.28Å; C7-L59 PolarHBondContact O-N 3.11Å; C7-L59 VanDerWaalsContact O-N 3.1Å; C7-L59 PolarHBondContact SG-O 3.43Å; C7-L59 VanDerWaalsContact SG-O 3.34Å; V9-L59 HydrophobicContact CB-CD1 4.31Å; V9-L59 HydrophobicContact CG2-CD1 4.01Å; V9-L59 HydrophobicContact CG2-CD2 4.36Å; F33-L59 HydrophobicContact CD1-CD1 3.94Å; F33-L59 HydrophobicContact CE1-CD1 3.5Å; F33-L59 VanDerWaalsContact CE1-CD1 3.5Å; F33-L59 HydrophobicContact CE1-CD2 3.67Å; F33-L59 HydrophobicContact CE1-CG 4.24Å; F33-L59 HydrophobicContact CZ-CD1 4.34Å; F33-L59 HydrophobicContact CZ-CD2 3.7Å; N34-L59 WeakPolarHBondContact ND2-CG 3.36Å; W57-L59 HydrophobicContact CB-CD1 3.78Å; L59-L64 HydrophobicContact CD2-CB 4.29Å |
| 60 | D | 82.7 | Confident | 87.6 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 148.3 | 162.2 | 76.5 | 13.7 | 0 | 0 | 0 | 111.1 | K4 D5 T62 S63 L64 | K4-D60 HydrophobicContact CB-CB 4.5Å; K4-D60 HydrophobicContact CD-CB 4.37Å; K4-D60 WeakPolarHBondContact CD-OD2 3.39Å; K4-D60 IonicContact NZ-OD2 3.59Å; K4-D60 PolarHBondContact NZ-OD2 3.25Å; D5-D60 WeakPolarHBondContact O-CA 3.48Å; D60-T62 PolarHBondContact O-N 2.95Å; D60-T62 PolarHBondContact OD1-N 3.48Å; D60-T62 PolarHBondContact OD1-OG1 3.17Å; D60-T62 PolarHBondContact OD2-OG1 2.95Å; D60-T62 VanDerWaalsContact OD2-OG1 3.13Å; D60-S63 PolarHBondContact O-N 3.42Å; D60-S63 VanDerWaalsContact OD1-CB 3.28Å; D60-S63 WeakPolarHBondContact OD1-CB 3.34Å; D60-S63 PolarHBondContact OD1-N 3.4Å; D60-S63 PolarHBondContact OD1-OG 2.93Å; D60-L64 PolarHBondContact O-N 3.43Å |
| 61 | K | 80.5 | Confident | 87.4 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 37% | 0.365 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.3 | -24.3 | -178 | -74 | -175.1 | -167.5 | 158.8 | 0 | 113 | D5 K65 | D5-K61 HydrophobicContact CB-CB 4.28Å; D5-K61 HydrophobicContact CB-CD 3.51Å; D5-K61 HydrophobicContact CB-CG 3.81Å; D5-K61 VanDerWaalsContact CG-NZ 3.29Å; D5-K61 PolarHBondContact O-N 2.92Å; D5-K61 WeakPolarHBondContact OD2-CD 3.34Å; D5-K61 WeakPolarHBondContact OD2-CE 3.48Å; D5-K61 IonicContact OD2-NZ 2.69Å; D5-K61 PolarHBondContact OD2-NZ 3.19Å; K61-K65 WeakPolarHBondContact O-CB 3.24Å; K61-K65 VanDerWaalsContact O-CG 3.27Å; K61-K65 WeakPolarHBondContact O-CG 3.43Å; K61-K65 PolarHBondContact O-N 3Å; K61-K65 VanDerWaalsContact O-N 3.09Å |
| 62 | T | 82.9 | Confident | 87.2 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.1 | -49.3 | 172.7 | 22.7 | 0 | 0 | 0 | 0 | 112.7 | D60 K65 Q66 | D60-T62 PolarHBondContact O-N 2.95Å; D60-T62 PolarHBondContact OD1-N 3.48Å; D60-T62 PolarHBondContact OD1-OG1 3.17Å; D60-T62 PolarHBondContact OD2-OG1 2.95Å; D60-T62 VanDerWaalsContact OD2-OG1 3.13Å; T62-K65 WeakPolarHBondContact O-CB 3.41Å; T62-K65 PolarHBondContact O-N 2.88Å; T62-Q66 PolarHBondContact O-N 2.9Å |
| 63 | S | 84.8 | Confident | 87.1 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | D60 Q66 H67 | D60-S63 PolarHBondContact O-N 3.42Å; D60-S63 VanDerWaalsContact OD1-CB 3.28Å; D60-S63 WeakPolarHBondContact OD1-CB 3.34Å; D60-S63 PolarHBondContact OD1-N 3.4Å; D60-S63 PolarHBondContact OD1-OG 2.93Å; S63-Q66 WeakPolarHBondContact O-CB 3.25Å; S63-Q66 PolarHBondContact O-N 3.17Å; S63-H67 PolarHBondContact O-CD2 3.08Å; S63-H67 PolarHBondContact O-N 2.98Å |
| 64 | L | 85.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 173.8 | 176.4 | 61.2 | 0 | 0 | 0 | 112.2 | C7 V9 L59 D60 Q66 H67 R68 I129 | C7-L64 HydrophobicContact CB-CD2 4.44Å; C7-L64 VanDerWaalsContact SG-CD2 3.5Å; V9-L64 HydrophobicContact CG2-CD1 3.92Å; L59-L64 HydrophobicContact CD2-CB 4.29Å; D60-L64 PolarHBondContact O-N 3.43Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-H67 PolarHBondContact O-N 3.31Å; L64-R68 WeakPolarHBondContact O-CG 3.44Å; L64-R68 PolarHBondContact O-N 3.5Å; L64-R68 VanDerWaalsContact O-N 3.12Å; L64-I129 HydrophobicContact CD2-CD1 3.68Å; L64-I129 HydrophobicContact CD2-CG1 3.98Å |
| 65 | K | 84 | Confident | 87.2 | Confident | 141 Ų | 141 | 54.8 Ų | 54.8 | 61% | 0.613 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.7 | -47.5 | 171.2 | -80.6 | 175.8 | 177.3 | -174.2 | 0 | 110.8 | K61 T62 H67 R68 L69 | K61-K65 WeakPolarHBondContact O-CB 3.24Å; K61-K65 VanDerWaalsContact O-CG 3.27Å; K61-K65 WeakPolarHBondContact O-CG 3.43Å; K61-K65 PolarHBondContact O-N 3Å; K61-K65 VanDerWaalsContact O-N 3.09Å; T62-K65 WeakPolarHBondContact O-CB 3.41Å; T62-K65 PolarHBondContact O-N 2.88Å; K65-H67 PolarHBondContact O-N 3.35Å; K65-R68 PolarHBondContact O-N 3.04Å; K65-L69 WeakPolarHBondContact O-CB 3.36Å; K65-L69 PolarHBondContact O-N 3.21Å |
| 66 | Q | 85.9 | Confident | 87.4 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 179.3 | -164.8 | -168.4 | -66 | 0 | 0 | 112.4 | T62 S63 L64 R68 L69 Q70 L707 | T62-Q66 PolarHBondContact O-N 2.9Å; S63-Q66 WeakPolarHBondContact O-CB 3.25Å; S63-Q66 PolarHBondContact O-N 3.17Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; Q66-R68 PolarHBondContact O-N 3.25Å; Q66-L69 CarbonylContact O-C 3.6Å; Q66-L69 WeakPolarHBondContact O-CB 3.41Å; Q66-L69 PolarHBondContact O-N 3.35Å; Q66-Q70 WeakPolarHBondContact O-CB 3.47Å; Q66-Q70 WeakPolarHBondContact O-CG 3.35Å; Q66-Q70 PolarHBondContact O-N 2.79Å; Q66-L707 VanDerWaalsContact CD-CD1 3.48Å; Q66-L707 HydrophobicContact CG-CD1 4.21Å; Q66-L707 HydrophobicContact CG-CD2 3.62Å |
| 67 | H | 87.8 | Confident | 87.5 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 11% | 0.111 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.2 | -76.6 | -58.2 | 0 | 0 | 0 | 112.9 | F33 N34 S63 L64 K65 Q70 R71 S72 L98 | F33-H67 AromaticContact CE2-CD2 3.85Å; F33-H67 AromaticContact CE2-CE1 3.82Å; F33-H67 AromaticContact CE2-CG 3.99Å; F33-H67 AromaticContact CE2-ND1 3.97Å; F33-H67 AromaticContact CE2-NE2 3.76Å; F33-H67 AromaticContact CZ-CD2 3.68Å; F33-H67 AromaticContact CZ-NE2 3.99Å; N34-H67 PolarHBondContact OD1-NE2 2.91Å; N34-H67 VanDerWaalsContact OD1-NE2 3.09Å; S63-H67 PolarHBondContact O-CD2 3.08Å; S63-H67 PolarHBondContact O-N 2.98Å; L64-H67 PolarHBondContact O-N 3.31Å; K65-H67 PolarHBondContact O-N 3.35Å; H67-Q70 PolarHBondContact O-N 3.15Å; H67-R71 PolarHBondContact O-N 3.2Å; H67-S72 PolarHBondContact ND1-OG 2.91Å; H67-S72 VanDerWaalsContact ND1-OG 3.08Å; H67-S72 PolarHBondContact O-N 3.43Å; H67-S72 PolarHBondContact O-OG 3.5Å; H67-L98 HydrophobicContact CB-CD1 4.1Å |
| 68 | R | 87.6 | Confident | 87.7 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 33% | 0.328 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 173.8 | -72.2 | 170 | 157.6 | 179.6 | -9.7 | 111.6 | L64 K65 Q66 Q70 R71 L98 R99 C101 | L64-R68 WeakPolarHBondContact O-CG 3.44Å; L64-R68 PolarHBondContact O-N 3.5Å; L64-R68 VanDerWaalsContact O-N 3.12Å; K65-R68 PolarHBondContact O-N 3.04Å; Q66-R68 PolarHBondContact O-N 3.25Å; R68-Q70 VanDerWaalsContact C-N 3.33Å; R68-Q70 PolarHBondContact O-N 3.36Å; R68-R71 PolarHBondContact O-N 3.48Å; R68-L98 WeakPolarHBondContact CG-O 3.18Å; R68-L98 PolarHBondContact NE-O 3.02Å; R68-R99 HydrophobicContact CB-CG 4.17Å; R68-R99 HydrophobicContact CG-CG 4.41Å; R68-R99 WeakPolarHBondContact O-CD 3.32Å; R68-R99 WeakPolarHBondContact O-CG 3.48Å; R68-C101 PolarHBondContact NH2-O 2.98Å |
| 69 | L | 85.7 | Confident | 88 | Confident | 36 Ų | 36 | 50.9 Ų | 50.9 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 178.6 | -167.1 | 55.7 | 0 | 0 | 0 | 111.8 | K65 Q66 R71 R710 E711 L714 | K65-L69 WeakPolarHBondContact O-CB 3.36Å; K65-L69 PolarHBondContact O-N 3.21Å; Q66-L69 CarbonylContact O-C 3.6Å; Q66-L69 WeakPolarHBondContact O-CB 3.41Å; Q66-L69 PolarHBondContact O-N 3.35Å; L69-R71 VanDerWaalsContact C-N 3.34Å; L69-R710 HydrophobicContact CD2-CG 3.97Å; L69-R710 PolarHBondContact O-NE 2.99Å; L69-R710 PolarHBondContact O-NH2 3.43Å; L69-E711 HydrophobicContact CD2-CB 4.5Å; L69-L714 HydrophobicContact CD1-CB 3.75Å; L69-L714 HydrophobicContact CD1-CD1 3.59Å; L69-L714 HydrophobicContact CD1-CG 4.29Å; L69-L714 HydrophobicContact CD2-CD1 3.61Å; L69-L714 HydrophobicContact CG-CD1 4.17Å; L69-L714 WeakPolarHBondContact O-CD1 3.24Å |
| 70 | Q | 86.9 | Confident | 88.4 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -79.4 | -9.3 | 171.9 | -72.6 | -178 | -56.3 | 0 | 0 | 114 | Q66 H67 R68 S72 L707 | Q66-Q70 WeakPolarHBondContact O-CB 3.47Å; Q66-Q70 WeakPolarHBondContact O-CG 3.35Å; Q66-Q70 PolarHBondContact O-N 2.79Å; H67-Q70 PolarHBondContact O-N 3.15Å; R68-Q70 VanDerWaalsContact C-N 3.33Å; R68-Q70 PolarHBondContact O-N 3.36Å; Q70-S72 VanDerWaalsContact C-N 3.25Å; Q70-S72 PolarHBondContact O-N 2.89Å; Q70-L707 HydrophobicContact CG-CD2 4.14Å |
| 71 | R | 85.6 | Confident | 88.9 | Confident | 160 Ų | 160 | 50.5 Ų | 50.5 | 60% | 0.604 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.7 | -169.3 | -48.4 | -176.1 | 178.5 | 175.5 | -0.3 | 112.9 | H67 R68 L69 A73 | H67-R71 PolarHBondContact O-N 3.2Å; R68-R71 PolarHBondContact O-N 3.48Å; L69-R71 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 2.91Å |
| 72 | S | 86 | Confident | 89.3 | Confident | 31 Ų | 31 | 49 Ų | 49 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | trans | -58.5 | 135.1 | 176.1 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | H67 Q70 L98 | H67-S72 PolarHBondContact ND1-OG 2.91Å; H67-S72 VanDerWaalsContact ND1-OG 3.08Å; H67-S72 PolarHBondContact O-N 3.43Å; H67-S72 PolarHBondContact O-OG 3.5Å; Q70-S72 VanDerWaalsContact C-N 3.25Å; Q70-S72 PolarHBondContact O-N 2.89Å; S72-L98 WeakPolarHBondContact O-CB 3.27Å; S72-L98 PolarHBondContact O-N 3.2Å | ||
| 73 | A | 89.1 | Confident | 89.2 | Confident | 50 Ų | 50 | 48.1 Ų | 48.1 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | R71 M95 L96 | R71-A73 PolarHBondContact O-N 2.91Å; A73-M95 HydrophobicContact CB-CE 3.65Å; A73-M95 WeakPolarHBondContact O-CE 3.43Å; A73-L96 CarbonylContact C-O 3.48Å; A73-L96 VanDerWaalsContact CA-O 3.28Å; A73-L96 WeakPolarHBondContact CA-O 3.49Å |
| 74 | L | 91.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.4 | 179.2 | -179.3 | 55.8 | 0 | 0 | 0 | 109.9 | V11 A31 K32 F33 W57 M95 L96 I127 | V11-L74 HydrophobicContact CG2-CD2 3.51Å; A31-L74 HydrophobicContact CB-CD1 4.24Å; A31-L74 HydrophobicContact CB-CG 4.47Å; K32-L74 VanDerWaalsContact O-CD1 3.24Å; K32-L74 WeakPolarHBondContact O-CD1 3.41Å; F33-L74 HydrophobicContact CB-CD1 3.82Å; F33-L74 HydrophobicContact CG-CD1 4.24Å; W57-L74 HydrophobicContact CE3-CD2 4.24Å; W57-L74 HydrophobicContact CH2-CD2 4.03Å; W57-L74 HydrophobicContact CZ3-CD2 3.74Å; L74-M95 WeakPolarHBondContact O-CA 3.21Å; L74-L96 HydrophobicContact CB-CB 4.45Å; L74-L96 PolarHBondContact N-O 3.46Å; L74-L96 PolarHBondContact O-N 3.45Å; L74-I127 HydrophobicContact CD2-CD1 4.16Å |
| 75 | K | 94.7 | Very high | 88.6 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 115.6 | 178.4 | -176.4 | -177.5 | 179.8 | -173.8 | 0 | 110.1 | F93 M95 | K75-F93 HydrophobicContact CD-CD2 4.18Å; K75-F93 HydrophobicContact CD-CG 4.29Å; K75-F93 VanDerWaalsContact CE-CD1 3.41Å; K75-F93 HydrophobicContact CG-CB 4.1Å; K75-F93 HydrophobicContact CG-CD2 3.91Å; K75-F93 HydrophobicContact CG-CG 4.16Å; K75-M95 HydrophobicContact CB-CE 3.9Å; K75-M95 HydrophobicContact CB-SD 3.67Å; K75-M95 HydrophobicContact CG-SD 3.77Å |
| 76 | V | 95.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.1 | 171.1 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | V11 C29 A31 F93 F94 L96 | V11-V76 HydrophobicContact CG1-CG2 4.37Å; C29-V76 HydrophobicContact CB-CG1 4.01Å; A31-V76 HydrophobicContact CB-CG2 4.21Å; V76-F93 CarbonylContact O-C 3.4Å; V76-F93 WeakPolarHBondContact O-CA 3.3Å; V76-F93 VanDerWaalsContact O-CB 3.24Å; V76-F93 WeakPolarHBondContact O-CB 3.21Å; V76-F94 HydrophobicContact CB-CD1 4.21Å; V76-F94 HydrophobicContact CB-CD2 4.28Å; V76-F94 HydrophobicContact CB-CE1 3.82Å; V76-F94 HydrophobicContact CB-CE2 3.9Å; V76-F94 HydrophobicContact CB-CG 4.43Å; V76-F94 HydrophobicContact CB-CZ 3.66Å; V76-F94 HydrophobicContact CG1-CE1 3.76Å; V76-F94 HydrophobicContact CG1-CE2 4.39Å; V76-F94 HydrophobicContact CG1-CZ 3.67Å; V76-F94 HydrophobicContact CG2-CD2 4.44Å; V76-F94 HydrophobicContact CG2-CE2 3.9Å; V76-F94 HydrophobicContact CG2-CZ 4.02Å; V76-F94 PolarHBondContact N-O 3.29Å; V76-F94 PolarHBondContact O-N 3.46Å; V76-L96 HydrophobicContact CG2-CD1 3.69Å; V76-L96 HydrophobicContact CG2-CG 4.31Å |
| 77 | T | 96 | Very high | 87.9 | Confident | 37 Ų | 37 | 57 Ų | 57 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129 | -179.9 | -53.4 | 0 | 0 | 0 | 0 | 109.4 | C29 E30 | C29-T77 CarbonylContact C-O 3.52Å; C29-T77 WeakPolarHBondContact CA-O 3.48Å; E30-T77 PolarHBondContact N-O 3.28Å; E30-T77 PolarHBondContact O-N 2.9Å |
| 78 | V | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.6 | -179.6 | -168.3 | 0 | 0 | 0 | 0 | 108.6 | F19 L27 I91 G92 F94 I112 | F19-V78 HydrophobicContact CE1-CG1 4.29Å; L27-V78 HydrophobicContact CD2-CG1 4.17Å; V78-I91 HydrophobicContact CG1-CD1 4.17Å; V78-I91 WeakPolarHBondContact O-CB 3.31Å; V78-I91 PolarHBondContact O-N 3.3Å; V78-G92 PolarHBondContact N-O 3.47Å; V78-G92 PolarHBondContact O-N 3.29Å; V78-F94 HydrophobicContact CG2-CD1 4.22Å; V78-F94 HydrophobicContact CG2-CE1 3.99Å; V78-I112 HydrophobicContact CB-CD1 4.15Å; V78-I112 HydrophobicContact CG1-CD1 4.31Å; V78-I112 HydrophobicContact CG2-CD1 3.88Å; V78-I112 HydrophobicContact CG2-CG1 4.42Å |
| 79 | S | 94.3 | Very high | 87.9 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.4 | -179.6 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | L27 V28 E89 | L27-S79 WeakPolarHBondContact CA-O 3.29Å; V28-S79 PolarHBondContact N-O 3.49Å; V28-S79 PolarHBondContact O-N 3.36Å; S79-E89 CarbonylContact C-O 3.48Å; S79-E89 VanDerWaalsContact CA-O 3.27Å; S79-E89 WeakPolarHBondContact CA-O 3.48Å |
| 80 | A | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109 | H25 H26 E89 I91 | H25-A80 HydrophobicContact CB-CB 4.5Å; H26-A80 CarbonylContact O-C 3.56Å; H26-A80 VanDerWaalsContact O-CA 3.3Å; H26-A80 WeakPolarHBondContact O-CA 3.26Å; A80-E89 HydrophobicContact CB-CB 4.4Å; A80-E89 PolarHBondContact N-O 3.43Å; A80-E89 PolarHBondContact O-N 3.02Å; A80-I91 HydrophobicContact CB-CD1 4.02Å; A80-I91 HydrophobicContact CB-CG1 4.26Å |
| 81 | V | 92 | Very high | 88.5 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.4 | 174.6 | -166.2 | 0 | 0 | 0 | 0 | 107.4 | H25 H26 V28 K88 | H25-V81 CarbonylContact C-O 3.59Å; H25-V81 WeakPolarHBondContact CA-O 3.34Å; H26-V81 PolarHBondContact N-O 2.88Å; H26-V81 PolarHBondContact O-N 2.88Å; V28-V81 HydrophobicContact CB-CG2 4.24Å; V28-V81 HydrophobicContact CG2-CG2 3.84Å; V81-K88 HydrophobicContact CG2-CG 4.06Å |
| 82 | D | 88.4 | Confident | 88.9 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.3 | 177.4 | 173.3 | 3.5 | 0 | 0 | 0 | 109.8 | Q84 S85 | D82-Q84 PolarHBondContact O-N 2.69Å; D82-Q84 PolarHBondContact OD1-N 2.88Å; D82-S85 PolarHBondContact O-N 2.79Å; D82-S85 VanDerWaalsContact O-N 3.1Å; D82-S85 WeakPolarHBondContact OD2-CB 3.17Å |
| 83 | S | 81.4 | Confident | 89.4 | Confident | 68 Ų | 68 | 50.2 Ų | 50.2 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.3 | 178.6 | -45.3 | 0 | 0 | 0 | 0 | 113.1 | T24 H26 | T24-S83 PolarHBondContact O-N 3.13Å; T24-S83 PolarHBondContact O-OG 2.86Å; T24-S83 VanDerWaalsContact O-OG 3.13Å; H26-S83 PolarHBondContact CD2-OG 2.75Å; H26-S83 VanDerWaalsContact CD2-OG 3.26Å; H26-S83 PolarHBondContact NE2-OG 2.76Å |
| 84 | Q | 79.5 | Confident | 89.6 | Confident | 179 Ų | 179 | 47.9 Ų | 47.9 | 84% | 0.836 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -2.5 | 178.2 | -58.2 | -170.5 | 11.4 | 0 | 0 | 114.2 | D82 | D82-Q84 PolarHBondContact O-N 2.69Å; D82-Q84 PolarHBondContact OD1-N 2.88Å |
| 85 | S | 79 | Confident | 89.7 | Confident | 39 Ų | 39 | 51 Ų | 51 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 129.8 | -173.1 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | D82 V87 | D82-S85 PolarHBondContact O-N 2.79Å; D82-S85 VanDerWaalsContact O-N 3.1Å; D82-S85 WeakPolarHBondContact OD2-CB 3.17Å; S85-V87 PolarHBondContact O-N 3.36Å; S85-V87 WeakPolarHBondContact OG-CG2 3.48Å |
| 86 | P | 72.7 | Confident | 89.6 | Confident | 125 Ų | 125 | 46.6 Ų | 46.6 | 81% | 0.812 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 7.4 | -178.6 | 31.7 | -37.3 | 0 | 0 | 0 | 114.2 | K88 | P86-K88 PolarHBondContact O-N 2.69Å |
| 87 | V | 81.2 | Confident | 89.3 | Confident | 100 Ų | 100 | 48.7 Ų | 48.7 | 61% | 0.606 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 103.5 | 179.9 | 178.5 | 0 | 0 | 0 | 0 | 110 | S85 E89 | S85-V87 PolarHBondContact O-N 3.36Å; S85-V87 WeakPolarHBondContact OG-CG2 3.48Å; V87-E89 PolarHBondContact O-N 3.24Å |
| 88 | K | 86.4 | Confident | 88.9 | Confident | 93 Ų | 93 | 47 Ų | 47 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 114.2 | 166.9 | -60.8 | -166.4 | -179.3 | -171.3 | 0 | 109.8 | E30 V81 P86 P90 | E30-K88 IonicContact OE2-NZ 3.74Å; E30-K88 PolarHBondContact OE2-NZ 2.91Å; V81-K88 HydrophobicContact CG2-CG 4.06Å; P86-K88 PolarHBondContact O-N 2.69Å; K88-P90 VanDerWaalsContact O-CD 3.29Å; K88-P90 WeakPolarHBondContact O-CD 3.49Å |
| 89 | E | 90.7 | Very high | 88.5 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 106.5 | 169.7 | -160.6 | -145.3 | 149.2 | 0 | 0 | 110 | R22 S79 A80 V87 I91 K116 | R22-E89 IonicContact CZ-OE2 3.8Å; R22-E89 VanDerWaalsContact CZ-OE2 3.25Å; R22-E89 IonicContact NH1-OE2 3.04Å; R22-E89 PolarHBondContact NH1-OE2 2.91Å; R22-E89 IonicContact NH2-OE2 2.8Å; R22-E89 PolarHBondContact NH2-OE2 3.05Å; S79-E89 CarbonylContact C-O 3.48Å; S79-E89 VanDerWaalsContact CA-O 3.27Å; S79-E89 WeakPolarHBondContact CA-O 3.48Å; A80-E89 HydrophobicContact CB-CB 4.4Å; A80-E89 PolarHBondContact N-O 3.43Å; A80-E89 PolarHBondContact O-N 3.02Å; V87-E89 PolarHBondContact O-N 3.24Å; E89-I91 PolarHBondContact O-N 2.99Å; E89-K116 WeakPolarHBondContact OE1-CD 3.27Å; E89-K116 IonicContact OE1-NZ 3.05Å; E89-K116 PolarHBondContact OE1-NZ 3.14Å |
| 90 | P | 91.8 | Very high | 87.9 | Confident | 71 Ų | 71 | 55 Ų | 55 | 46% | 0.461 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 124.9 | 178.5 | 26.6 | -34 | 0 | 0 | 0 | 110.1 | K88 K116 | K88-P90 VanDerWaalsContact O-CD 3.29Å; K88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-K116 WeakPolarHBondContact O-CD 3.37Å; P90-K116 WeakPolarHBondContact O-CE 3.26Å; P90-K116 PolarHBondContact O-NZ 3.15Å |
| 91 | I | 92.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -43.2 | 178.9 | -62.2 | 163.1 | 0 | 0 | 0 | 110.2 | L27 V78 A80 E89 S115 K116 Y117 | L27-I91 HydrophobicContact CD2-CD1 3.26Å; V78-I91 HydrophobicContact CG1-CD1 4.17Å; V78-I91 WeakPolarHBondContact O-CB 3.31Å; V78-I91 PolarHBondContact O-N 3.3Å; A80-I91 HydrophobicContact CB-CD1 4.02Å; A80-I91 HydrophobicContact CB-CG1 4.26Å; E89-I91 PolarHBondContact O-N 2.99Å; I91-S115 CarbonylContact O-C 3.46Å; I91-S115 VanDerWaalsContact O-CA 3.27Å; I91-S115 WeakPolarHBondContact O-CA 3.32Å; I91-K116 PolarHBondContact O-N 2.91Å; I91-Y117 HydrophobicContact CB-CE2 4.33Å; I91-Y117 HydrophobicContact CD1-CE2 3.67Å; I91-Y117 HydrophobicContact CG1-CE2 3.81Å; I91-Y117 WeakPolarHBondContact CG1-OH 3.42Å; I91-Y117 HydrophobicContact CG2-CD2 3.62Å; I91-Y117 HydrophobicContact CG2-CE2 3.54Å; I91-Y117 HydrophobicContact CG2-CG 4.2Å |
| 92 | G | 94.2 | Very high | 86.7 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -163.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V78 L113 | V78-G92 PolarHBondContact N-O 3.47Å; V78-G92 PolarHBondContact O-N 3.29Å; G92-L113 WeakPolarHBondContact CA-O 3.48Å |
| 93 | F | 95.9 | Very high | 86.3 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 166 | 178.8 | 62.4 | -93.4 | 0 | 0 | 0 | 113 | K75 V76 M95 L113 H114 | K75-F93 HydrophobicContact CD-CD2 4.18Å; K75-F93 HydrophobicContact CD-CG 4.29Å; K75-F93 VanDerWaalsContact CE-CD1 3.41Å; K75-F93 HydrophobicContact CG-CB 4.1Å; K75-F93 HydrophobicContact CG-CD2 3.91Å; K75-F93 HydrophobicContact CG-CG 4.16Å; V76-F93 CarbonylContact O-C 3.4Å; V76-F93 WeakPolarHBondContact O-CA 3.3Å; V76-F93 VanDerWaalsContact O-CB 3.24Å; V76-F93 WeakPolarHBondContact O-CB 3.21Å; F93-M95 HydrophobicContact CD2-SD 4Å; F93-M95 HydrophobicContact CE2-CG 4.46Å; F93-M95 HydrophobicContact CE2-SD 4.05Å; F93-L113 HydrophobicContact CE2-CB 4.4Å; F93-L113 HydrophobicContact CE2-CD1 4.28Å; F93-L113 PolarHBondContact N-O 2.65Å; F93-L113 WeakPolarHBondContact O-CA 3.3Å; F93-L113 VanDerWaalsContact O-CB 3.28Å; F93-L113 WeakPolarHBondContact O-CB 3.36Å; F93-L113 PolarHBondContact O-N 2.89Å; F93-H114 HydrophobicContact CE1-CB 4.36Å; F93-H114 AromaticContact CE1-CE1 3.97Å; F93-H114 AromaticContact CE1-ND1 3.16Å; F93-H114 WeakPolarHBondContact CE1-ND1 3.5Å; F93-H114 AromaticContact CZ-CE1 3.7Å; F93-H114 AromaticContact CZ-ND1 3.26Å; F93-H114 VanDerWaalsContact CZ-ND1 3.26Å; F93-H114 WeakPolarHBondContact CZ-ND1 3.37Å |
| 94 | F | 94.9 | Very high | 86 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 166 | 166.7 | 61.1 | -84.6 | 0 | 0 | 0 | 111.1 | L13 V76 V78 L96 Y110 V123 A125 | L13-F94 HydrophobicContact CD2-CZ 3.76Å; V76-F94 HydrophobicContact CB-CD1 4.21Å; V76-F94 HydrophobicContact CB-CD2 4.28Å; V76-F94 HydrophobicContact CB-CE1 3.82Å; V76-F94 HydrophobicContact CB-CE2 3.9Å; V76-F94 HydrophobicContact CB-CG 4.43Å; V76-F94 HydrophobicContact CB-CZ 3.66Å; V76-F94 HydrophobicContact CG1-CE1 3.76Å; V76-F94 HydrophobicContact CG1-CE2 4.39Å; V76-F94 HydrophobicContact CG1-CZ 3.67Å; V76-F94 HydrophobicContact CG2-CD2 4.44Å; V76-F94 HydrophobicContact CG2-CE2 3.9Å; V76-F94 HydrophobicContact CG2-CZ 4.02Å; V76-F94 PolarHBondContact N-O 3.29Å; V76-F94 PolarHBondContact O-N 3.46Å; V78-F94 HydrophobicContact CG2-CD1 4.22Å; V78-F94 HydrophobicContact CG2-CE1 3.99Å; F94-L96 HydrophobicContact CD2-CD2 4.13Å; F94-L96 HydrophobicContact CD2-CG 4.21Å; F94-L96 HydrophobicContact CE2-CD1 4.13Å; F94-L96 HydrophobicContact CE2-CD2 4.02Å; F94-L96 HydrophobicContact CE2-CG 4.09Å; F94-Y110 HydrophobicContact CD2-CD1 4.27Å; F94-Y110 HydrophobicContact CD2-CD2 4.39Å; F94-Y110 AromaticContact CD2-CG 3.82Å; F94-Y110 HydrophobicContact CD2-CG 3.82Å; F94-Y110 HydrophobicContact CE2-CD2 4.4Å; F94-Y110 HydrophobicContact CE2-CG 4.27Å; F94-V123 HydrophobicContact CE1-CB 4Å; F94-V123 HydrophobicContact CE1-CG1 4.44Å; F94-V123 HydrophobicContact CE1-CG2 4Å; F94-V123 HydrophobicContact CZ-CB 4.19Å; F94-V123 HydrophobicContact CZ-CG1 4.29Å; F94-A125 HydrophobicContact CE2-CB 4.16Å; F94-A125 HydrophobicContact CZ-CB 4.37Å |
| 95 | M | 93.8 | Very high | 86.2 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.4 | -173.8 | -59.2 | -57.1 | -55.6 | 0 | 0 | 110.7 | A73 L74 K75 F93 L113 | A73-M95 HydrophobicContact CB-CE 3.65Å; A73-M95 WeakPolarHBondContact O-CE 3.43Å; L74-M95 WeakPolarHBondContact O-CA 3.21Å; K75-M95 HydrophobicContact CB-CE 3.9Å; K75-M95 HydrophobicContact CB-SD 3.67Å; K75-M95 HydrophobicContact CG-SD 3.77Å; F93-M95 HydrophobicContact CD2-SD 4Å; F93-M95 HydrophobicContact CE2-CG 4.46Å; F93-M95 HydrophobicContact CE2-SD 4.05Å; M95-L113 HydrophobicContact CG-CD1 4.49Å |
| 96 | L | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.6 | 176.6 | -60.6 | 173 | 0 | 0 | 0 | 109 | V11 A73 L74 V76 F94 Y110 I127 | V11-L96 HydrophobicContact CB-CD1 4.28Å; V11-L96 HydrophobicContact CG1-CD1 3.52Å; V11-L96 HydrophobicContact CG2-CD1 3.72Å; A73-L96 CarbonylContact C-O 3.48Å; A73-L96 VanDerWaalsContact CA-O 3.28Å; A73-L96 WeakPolarHBondContact CA-O 3.49Å; L74-L96 HydrophobicContact CB-CB 4.45Å; L74-L96 PolarHBondContact N-O 3.46Å; L74-L96 PolarHBondContact O-N 3.45Å; V76-L96 HydrophobicContact CG2-CD1 3.69Å; V76-L96 HydrophobicContact CG2-CG 4.31Å; F94-L96 HydrophobicContact CD2-CD2 4.13Å; F94-L96 HydrophobicContact CD2-CG 4.21Å; F94-L96 HydrophobicContact CE2-CD1 4.13Å; F94-L96 HydrophobicContact CE2-CD2 4.02Å; F94-L96 HydrophobicContact CE2-CG 4.09Å; L96-Y110 HydrophobicContact CD2-CD1 4.01Å; L96-Y110 HydrophobicContact CD2-CD2 4.02Å; L96-Y110 HydrophobicContact CD2-CE1 3.59Å; L96-Y110 HydrophobicContact CD2-CE2 3.59Å; L96-Y110 HydrophobicContact CD2-CG 4.22Å; L96-I127 HydrophobicContact CB-CB 4.27Å; L96-I127 HydrophobicContact CB-CD1 3.85Å; L96-I127 HydrophobicContact CB-CG2 4.19Å; L96-I127 HydrophobicContact CD1-CB 4.26Å; L96-I127 HydrophobicContact CD1-CD1 4.37Å |
| 97 | D | 89.3 | Confident | 86.9 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121.9 | -176.3 | -172.3 | -27.9 | 0 | 0 | 0 | 110.9 | R99 S100 | D97-R99 PolarHBondContact O-N 3.03Å; D97-R99 VanDerWaalsContact O-N 3.1Å; D97-R99 WeakPolarHBondContact OD1-CB 3.27Å; D97-R99 VanDerWaalsContact OD1-CG 3.26Å; D97-R99 WeakPolarHBondContact OD1-CG 3.37Å; D97-R99 PolarHBondContact OD1-N 3.24Å; D97-R99 IonicContact OD1-NE 2.73Å; D97-R99 PolarHBondContact OD1-NE 3.33Å; D97-R99 VanDerWaalsContact OD1-NE 3.12Å; D97-R99 IonicContact OD2-CZ 3.86Å; D97-R99 VanDerWaalsContact OD2-CZ 3.24Å; D97-R99 IonicContact OD2-NE 3.85Å; D97-R99 PolarHBondContact OD2-NE 2.9Å; D97-R99 IonicContact OD2-NH2 2.81Å; D97-R99 PolarHBondContact OD2-NH2 2.98Å; D97-S100 WeakPolarHBondContact O-CB 3.37Å; D97-S100 PolarHBondContact O-N 3.43Å; D97-S100 PolarHBondContact O-OG 2.95Å |
| 98 | L | 88.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -10.9 | -177.3 | -69.7 | 158.3 | 0 | 0 | 0 | 113.6 | V9 F33 H67 R68 S72 I127 | V9-L98 HydrophobicContact CG1-CD2 3.72Å; F33-L98 HydrophobicContact CD2-CD1 4.38Å; F33-L98 HydrophobicContact CE1-CD1 4.3Å; F33-L98 HydrophobicContact CE1-CD2 3.98Å; F33-L98 HydrophobicContact CE2-CD1 3.46Å; F33-L98 VanDerWaalsContact CE2-CD1 3.46Å; F33-L98 HydrophobicContact CZ-CD1 3.41Å; F33-L98 VanDerWaalsContact CZ-CD1 3.41Å; F33-L98 HydrophobicContact CZ-CD2 3.84Å; F33-L98 HydrophobicContact CZ-CG 4.31Å; H67-L98 HydrophobicContact CB-CD1 4.1Å; R68-L98 WeakPolarHBondContact CG-O 3.18Å; R68-L98 PolarHBondContact NE-O 3.02Å; S72-L98 WeakPolarHBondContact O-CB 3.27Å; S72-L98 PolarHBondContact O-N 3.2Å; L98-I127 HydrophobicContact CD2-CD1 3.89Å |
| 99 | R | 85.9 | Confident | 87.6 | Confident | 123 Ų | 123 | 48.7 Ų | 48.7 | 46% | 0.464 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.9 | 168.5 | -55.9 | 177.2 | -62.5 | 151 | 2.2 | 113.1 | R68 D97 | R68-R99 HydrophobicContact CB-CG 4.17Å; R68-R99 HydrophobicContact CG-CG 4.41Å; R68-R99 WeakPolarHBondContact O-CD 3.32Å; R68-R99 WeakPolarHBondContact O-CG 3.48Å; D97-R99 PolarHBondContact O-N 3.03Å; D97-R99 VanDerWaalsContact O-N 3.1Å; D97-R99 WeakPolarHBondContact OD1-CB 3.27Å; D97-R99 VanDerWaalsContact OD1-CG 3.26Å; D97-R99 WeakPolarHBondContact OD1-CG 3.37Å; D97-R99 PolarHBondContact OD1-N 3.24Å; D97-R99 IonicContact OD1-NE 2.73Å; D97-R99 PolarHBondContact OD1-NE 3.33Å; D97-R99 VanDerWaalsContact OD1-NE 3.12Å; D97-R99 IonicContact OD2-CZ 3.86Å; D97-R99 VanDerWaalsContact OD2-CZ 3.24Å; D97-R99 IonicContact OD2-NE 3.85Å; D97-R99 PolarHBondContact OD2-NE 2.9Å; D97-R99 IonicContact OD2-NH2 2.81Å; D97-R99 PolarHBondContact OD2-NH2 2.98Å |
| 100 | S | 81 | Confident | 87.7 | Confident | 55 Ų | 55 | 48.2 Ų | 48.2 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -16.3 | 175.7 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | D97 S102 | D97-S100 WeakPolarHBondContact O-CB 3.37Å; D97-S100 PolarHBondContact O-N 3.43Å; D97-S100 PolarHBondContact O-OG 2.95Å; S100-S102 PolarHBondContact O-N 3.18Å |
| 101 | C | 80.6 | Confident | 87.8 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | trans | -57.3 | 123.5 | 169.8 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | R68 I127 I129 | R68-C101 PolarHBondContact NH2-O 2.98Å; C101-I127 VanDerWaalsContact SG-CD1 3.57Å; C101-I127 WeakPolarHBondContact SG-CG1 3.47Å; C101-I129 HydrophobicContact CB-CD1 3.64Å; C101-I129 HydrophobicContact CB-CG1 3.89Å | ||
| 102 | S | 81.3 | Confident | 87.9 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | trans | -138.4 | -179.6 | 169.6 | 76.5 | 0 | 0 | 0 | 0 | 109 | S100 E104 Y128 I129 | S100-S102 PolarHBondContact O-N 3.18Å; S102-E104 PolarHBondContact O-N 3.14Å; S102-E104 WeakPolarHBondContact OG-CB 3.45Å; S102-E104 PolarHBondContact OG-N 3.37Å; S102-E104 PolarHBondContact OG-O 3.09Å; S102-Y128 CarbonylContact O-C 3.56Å; S102-Y128 WeakPolarHBondContact O-CA 3.19Å; S102-Y128 WeakPolarHBondContact O-CB 3.32Å; S102-I129 PolarHBondContact O-N 2.95Å | ||
| 103 | T | 80.6 | Confident | 87.8 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -73.5 | -12.3 | 168.4 | 44.6 | 0 | 0 | 0 | 0 | 112.6 | I131 | T103-I131 HydrophobicContact CG2-CD1 3.9Å; T103-I131 HydrophobicContact CG2-CG1 4.4Å |
| 104 | E | 74.4 | Confident | 87.5 | Confident | 110 Ų | 110 | 60.8 Ų | 60.8 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -79.5 | 126 | 169.7 | -54.6 | -173.4 | 163.8 | 0 | 0 | 109.9 | S102 V106 M142 | S102-E104 PolarHBondContact O-N 3.14Å; S102-E104 WeakPolarHBondContact OG-CB 3.45Å; S102-E104 PolarHBondContact OG-N 3.37Å; S102-E104 PolarHBondContact OG-O 3.09Å; E104-V106 HydrophobicContact CB-CG2 4.04Å; E104-V106 PolarHBondContact O-N 2.68Å; E104-M142 HydrophobicContact CG-CE 4.38Å |
| 105 | K | 83.7 | Confident | 87.2 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | trans | -80.6 | 84.2 | -179.4 | -53.9 | -165.5 | 178.1 | -159.3 | 0 | 109.8 | Y107 Y128 D130 | K105-Y107 HydrophobicContact CB-CE2 3.72Å; K105-Y107 WeakPolarHBondContact O-CD2 3.48Å; K105-Y107 VanDerWaalsContact O-CE2 3.31Å; K105-Y107 WeakPolarHBondContact O-CE2 3.35Å; K105-Y107 PolarHBondContact O-N 3Å; K105-Y128 HydrophobicContact CB-CD1 4.15Å; K105-Y128 HydrophobicContact CB-CE1 4.42Å; K105-Y128 HydrophobicContact CB-CG 4.39Å; K105-Y128 HydrophobicContact CD-CD1 4.2Å; K105-Y128 HydrophobicContact CD-CD2 4.08Å; K105-Y128 HydrophobicContact CD-CE1 3.79Å; K105-Y128 HydrophobicContact CD-CE2 3.7Å; K105-Y128 HydrophobicContact CD-CG 4.31Å; K105-Y128 VanDerWaalsContact CE-CZ 3.47Å; K105-Y128 HydrophobicContact CG-CD1 3.95Å; K105-Y128 HydrophobicContact CG-CD2 3.93Å; K105-Y128 HydrophobicContact CG-CE1 4.07Å; K105-Y128 HydrophobicContact CG-CE2 4.09Å; K105-Y128 HydrophobicContact CG-CG 3.85Å; K105-Y128 VanDerWaalsContact NZ-CZ 3.27Å; K105-Y128 PolarHBondContact NZ-OH 3.31Å; K105-D130 IonicContact NZ-OD2 3.65Å; K105-D130 PolarHBondContact NZ-OD2 2.83Å | ||
| 106 | V | 79.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -89.8 | 95.1 | -172.3 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | E104 K108 S126 M148 | E104-V106 HydrophobicContact CB-CG2 4.04Å; E104-V106 PolarHBondContact O-N 2.68Å; V106-K108 HydrophobicContact CG1-CD 4.49Å; V106-S126 PolarHBondContact N-OG 3.04Å; V106-S126 PolarHBondContact O-OG 3.01Å; V106-M148 HydrophobicContact CB-CE 4.11Å; V106-M148 HydrophobicContact CG1-CE 3.8Å; V106-M148 HydrophobicContact CG2-CE 3.77Å | ||
| 107 | Y | 87 | Confident | 86.7 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.9 | 179.8 | -60.4 | -99.2 | 0 | 0 | 0 | 113.2 | A12 I14 K105 F124 A125 S126 G145 | A12-Y107 HydrophobicContact CB-CE1 3.69Å; I14-Y107 HydrophobicContact CD1-CD1 4.46Å; I14-Y107 HydrophobicContact CD1-CE1 3.78Å; I14-Y107 HydrophobicContact CG1-CD1 3.7Å; I14-Y107 HydrophobicContact CG1-CE1 3.52Å; K105-Y107 HydrophobicContact CB-CE2 3.72Å; K105-Y107 WeakPolarHBondContact O-CD2 3.48Å; K105-Y107 VanDerWaalsContact O-CE2 3.31Å; K105-Y107 WeakPolarHBondContact O-CE2 3.35Å; K105-Y107 PolarHBondContact O-N 3Å; Y107-F124 HydrophobicContact CD1-CE1 4.37Å; Y107-F124 HydrophobicContact CG-CE1 4.27Å; Y107-F124 HydrophobicContact CG-CZ 4.32Å; Y107-A125 CarbonylContact C-O 3.58Å; Y107-A125 VanDerWaalsContact CA-O 3.32Å; Y107-A125 WeakPolarHBondContact CA-O 3.26Å; Y107-S126 VanDerWaalsContact CD1-CB 3.43Å; Y107-G145 VanDerWaalsContact CD2-CA 3.43Å |
| 108 | K | 89 | Confident | 86.3 | Confident | 112 Ų | 112 | 73.4 Ų | 73.4 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 159 | -179.6 | -67.4 | 179.4 | -179.8 | 165.3 | 0 | 111.7 | V106 Y110 F124 A125 | V106-K108 HydrophobicContact CG1-CD 4.49Å; K108-Y110 HydrophobicContact CB-CE2 3.85Å; K108-Y110 VanDerWaalsContact O-CD2 3.29Å; K108-Y110 WeakPolarHBondContact O-CD2 3.5Å; K108-Y110 WeakPolarHBondContact O-CE2 3.33Å; K108-F124 WeakPolarHBondContact O-CA 3.44Å; K108-F124 WeakPolarHBondContact O-CD2 3.43Å; K108-A125 PolarHBondContact N-O 2.93Å; K108-A125 PolarHBondContact O-N 3.05Å |
| 109 | W | 92.3 | Very high | 85.7 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 114.9 | 172.9 | -75.4 | 98.1 | 0 | 0 | 0 | 111.6 | T15 R17 A122 F124 S149 | T15-W109 HydrophobicContact CG2-CH2 3.89Å; T15-W109 HydrophobicContact CG2-CZ2 4.38Å; R17-W109 HydrophobicContact CB-CH2 3.91Å; R17-W109 HydrophobicContact CB-CZ3 3.85Å; R17-W109 HydrophobicContact CG-CE3 3.91Å; R17-W109 HydrophobicContact CG-CH2 3.87Å; R17-W109 HydrophobicContact CG-CZ3 3.44Å; R17-W109 VanDerWaalsContact CG-CZ3 3.44Å; W109-A122 HydrophobicContact CE3-CB 4.03Å; W109-F124 AromaticContact CD1-CD2 3.71Å; W109-F124 HydrophobicContact CD2-CB 3.95Å; W109-F124 AromaticContact CD2-CD2 3.92Å; W109-F124 HydrophobicContact CD2-CD2 3.92Å; W109-F124 HydrophobicContact CD2-CG 4.33Å; W109-F124 AromaticContact CE2-CD2 3.75Å; W109-F124 HydrophobicContact CE3-CB 3.86Å; W109-F124 AromaticContact CG-CD2 3.92Å; W109-F124 HydrophobicContact CG-CD2 3.92Å; W109-F124 HydrophobicContact CH2-CB 3.83Å; W109-F124 HydrophobicContact CZ2-CB 3.9Å; W109-F124 HydrophobicContact CZ2-CD2 4.38Å; W109-F124 HydrophobicContact CZ2-CG 4.24Å; W109-F124 HydrophobicContact CZ3-CB 3.79Å; W109-F124 AromaticContact NE1-CD2 3.58Å; W109-S149 PolarHBondContact NE1-OG 2.78Å |
| 110 | Y | 93.3 | Very high | 85.7 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.8 | 176.1 | -63.9 | -88.9 | 0 | 0 | 0 | 110.3 | F94 L96 K108 A122 V123 A125 | F94-Y110 HydrophobicContact CD2-CD1 4.27Å; F94-Y110 HydrophobicContact CD2-CD2 4.39Å; F94-Y110 AromaticContact CD2-CG 3.82Å; F94-Y110 HydrophobicContact CD2-CG 3.82Å; F94-Y110 HydrophobicContact CE2-CD2 4.4Å; F94-Y110 HydrophobicContact CE2-CG 4.27Å; L96-Y110 HydrophobicContact CD2-CD1 4.01Å; L96-Y110 HydrophobicContact CD2-CD2 4.02Å; L96-Y110 HydrophobicContact CD2-CE1 3.59Å; L96-Y110 HydrophobicContact CD2-CE2 3.59Å; L96-Y110 HydrophobicContact CD2-CG 4.22Å; K108-Y110 HydrophobicContact CB-CE2 3.85Å; K108-Y110 VanDerWaalsContact O-CD2 3.29Å; K108-Y110 WeakPolarHBondContact O-CD2 3.5Å; K108-Y110 WeakPolarHBondContact O-CE2 3.33Å; Y110-A122 CarbonylContact O-C 3.41Å; Y110-A122 WeakPolarHBondContact O-CA 3.34Å; Y110-A122 WeakPolarHBondContact O-CB 3.23Å; Y110-V123 PolarHBondContact N-O 2.9Å; Y110-V123 PolarHBondContact O-N 3.31Å; Y110-A125 HydrophobicContact CD2-CB 3.92Å; Y110-A125 HydrophobicContact CE2-CB 4.17Å; Y110-A125 WeakPolarHBondContact CE2-O 3.36Å |
| 111 | R | 94.3 | Very high | 86.2 | Confident | 157 Ų | 157 | 69 Ų | 69 | 59% | 0.592 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.8 | 173.6 | -173.8 | -177.8 | -176.3 | -175.1 | 4.3 | 109.7 | L113 S120 | R111-L113 PolarHBondContact O-N 3.38Å; R111-S120 PolarHBondContact NH2-OG 2.95Å |
| 112 | I | 94 | Very high | 86.8 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | trans | -71.2 | 113.6 | 176.7 | -61.3 | -177.7 | 0 | 0 | 0 | 109.2 | F19 V78 P121 V123 | F19-I112 HydrophobicContact CE1-CD1 3.95Å; F19-I112 HydrophobicContact CE2-CD1 4.47Å; F19-I112 HydrophobicContact CZ-CD1 3.59Å; V78-I112 HydrophobicContact CB-CD1 4.15Å; V78-I112 HydrophobicContact CG1-CD1 4.31Å; V78-I112 HydrophobicContact CG2-CD1 3.88Å; V78-I112 HydrophobicContact CG2-CG1 4.42Å; I112-P121 HydrophobicContact CB-CG 4.3Å; I112-P121 WeakPolarHBondContact CB-O 3.45Å; I112-P121 HydrophobicContact CD1-CB 4.12Å; I112-P121 HydrophobicContact CD1-CG 4.12Å; I112-P121 PolarHBondContact N-O 2.92Å; I112-V123 HydrophobicContact CD1-CG2 4.19Å; I112-V123 HydrophobicContact CG1-CG2 4.42Å | ||
| 113 | L | 91.8 | Very high | 87.4 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 41% | 0.414 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 147.1 | 173 | -51.7 | 178 | 0 | 0 | 0 | 110 | G92 F93 M95 R111 S115 | G92-L113 WeakPolarHBondContact CA-O 3.48Å; F93-L113 HydrophobicContact CE2-CB 4.4Å; F93-L113 HydrophobicContact CE2-CD1 4.28Å; F93-L113 PolarHBondContact N-O 2.65Å; F93-L113 WeakPolarHBondContact O-CA 3.3Å; F93-L113 VanDerWaalsContact O-CB 3.28Å; F93-L113 WeakPolarHBondContact O-CB 3.36Å; F93-L113 PolarHBondContact O-N 2.89Å; M95-L113 HydrophobicContact CG-CD1 4.49Å; R111-L113 PolarHBondContact O-N 3.38Å; L113-S115 PolarHBondContact O-N 2.94Å |
| 114 | H | 89.6 | Confident | 88 | Confident | 148 Ų | 148 | 64.5 Ų | 64.5 | 69% | 0.685 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 28.8 | -174.4 | -53.5 | 98.7 | 0 | 0 | 0 | 113.7 | F93 K116 | F93-H114 HydrophobicContact CE1-CB 4.36Å; F93-H114 AromaticContact CE1-CE1 3.97Å; F93-H114 AromaticContact CE1-ND1 3.16Å; F93-H114 WeakPolarHBondContact CE1-ND1 3.5Å; F93-H114 AromaticContact CZ-CE1 3.7Å; F93-H114 AromaticContact CZ-ND1 3.26Å; F93-H114 VanDerWaalsContact CZ-ND1 3.26Å; F93-H114 WeakPolarHBondContact CZ-ND1 3.37Å; H114-K116 PolarHBondContact O-N 3.27Å |
| 115 | S | 88.9 | Confident | 88.9 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | trans | -61.6 | 126.1 | 179.9 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | I91 L113 Y117 P121 | I91-S115 CarbonylContact O-C 3.46Å; I91-S115 VanDerWaalsContact O-CA 3.27Å; I91-S115 WeakPolarHBondContact O-CA 3.32Å; L113-S115 PolarHBondContact O-N 2.94Å; S115-Y117 PolarHBondContact O-N 3.45Å; S115-Y117 PolarHBondContact OG-N 2.95Å; S115-Y117 VanDerWaalsContact OG-N 3.15Å; S115-P121 WeakPolarHBondContact OG-CD 3.35Å; S115-P121 WeakPolarHBondContact OG-CG 3.3Å | ||
| 116 | K | 85.8 | Confident | 89.2 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -64.9 | -14.8 | 167.2 | -69.9 | 177.6 | 174.9 | 165.9 | 0 | 113.7 | E89 P90 I91 H114 | E89-K116 WeakPolarHBondContact OE1-CD 3.27Å; E89-K116 IonicContact OE1-NZ 3.05Å; E89-K116 PolarHBondContact OE1-NZ 3.14Å; P90-K116 WeakPolarHBondContact O-CD 3.37Å; P90-K116 WeakPolarHBondContact O-CE 3.26Å; P90-K116 PolarHBondContact O-NZ 3.15Å; I91-K116 PolarHBondContact O-N 2.91Å; H114-K116 PolarHBondContact O-N 3.27Å |
| 117 | Y | 89.9 | Confident | 89.8 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -99.2 | 125 | -173.8 | -56.8 | -25.5 | 0 | 0 | 0 | 111.4 | F19 P20 R22 H45 I91 S115 G119 S120 P121 | F19-Y117 HydrophobicContact CD1-CE2 4.37Å; P20-Y117 HydrophobicContact CG-CD1 3.83Å; P20-Y117 HydrophobicContact CG-CD2 3.56Å; P20-Y117 HydrophobicContact CG-CE1 4.07Å; P20-Y117 HydrophobicContact CG-CE2 3.77Å; P20-Y117 HydrophobicContact CG-CG 3.58Å; R22-Y117 PolarHBondContact NH1-OH 3.37Å; H45-Y117 AromaticContact CE1-CE2 3.67Å; H45-Y117 AromaticContact NE2-CE2 3.56Å; H45-Y117 AromaticContact NE2-CZ 3.61Å; H45-Y117 PolarHBondContact NE2-OH 2.98Å; I91-Y117 HydrophobicContact CB-CE2 4.33Å; I91-Y117 HydrophobicContact CD1-CE2 3.67Å; I91-Y117 HydrophobicContact CG1-CE2 3.81Å; I91-Y117 WeakPolarHBondContact CG1-OH 3.42Å; I91-Y117 HydrophobicContact CG2-CD2 3.62Å; I91-Y117 HydrophobicContact CG2-CE2 3.54Å; I91-Y117 HydrophobicContact CG2-CG 4.2Å; S115-Y117 PolarHBondContact O-N 3.45Å; S115-Y117 PolarHBondContact OG-N 2.95Å; S115-Y117 VanDerWaalsContact OG-N 3.15Å; Y117-G119 PolarHBondContact O-N 3.33Å; Y117-G119 VanDerWaalsContact O-N 3.13Å; Y117-S120 PolarHBondContact O-N 3.42Å; Y117-P121 HydrophobicContact CD2-CG 4.25Å |
| 118 | K | 81 | Confident | 90 | Very high | 212 Ų | 212 | 52.5 Ų | 52.5 | 92% | 0.922 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.9 | -176.8 | -64 | -176.4 | 179.1 | -179.2 | 0 | 114 | S120 | K118-S120 PolarHBondContact O-N 3.36Š|
| 119 | G | 76.8 | Confident | 90 | Very high | 44 Ų | 44 | 47.9 Ų | 47.9 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | N18 Y117 | N18-G119 WeakPolarHBondContact CB-O 3.47Å; Y117-G119 PolarHBondContact O-N 3.33Å; Y117-G119 VanDerWaalsContact O-N 3.13Å |
| 120 | S | 84.7 | Confident | 89.5 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 30% | 0.301 | 23% | 0.233 | S | C | . | . | trans | 53.6 | 58.6 | -174.2 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | R111 Y117 K118 | R111-S120 PolarHBondContact NH2-OG 2.95Å; Y117-S120 PolarHBondContact O-N 3.42Å; K118-S120 PolarHBondContact O-N 3.36Å | ||
| 121 | P | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -57.6 | 150.4 | -177.8 | 25.3 | -35.5 | 0 | 0 | 0 | 112.3 | R17 F19 I112 S115 Y117 | R17-P121 VanDerWaalsContact O-CA 3.3Å; R17-P121 WeakPolarHBondContact O-CA 3.37Å; F19-P121 HydrophobicContact CD1-CB 4.22Å; F19-P121 HydrophobicContact CD2-CB 3.87Å; F19-P121 HydrophobicContact CE1-CB 4.28Å; F19-P121 HydrophobicContact CE2-CB 3.92Å; F19-P121 HydrophobicContact CG-CB 4.03Å; F19-P121 HydrophobicContact CZ-CB 4.15Å; I112-P121 HydrophobicContact CB-CG 4.3Å; I112-P121 WeakPolarHBondContact CB-O 3.45Å; I112-P121 HydrophobicContact CD1-CB 4.12Å; I112-P121 HydrophobicContact CD1-CG 4.12Å; I112-P121 PolarHBondContact N-O 2.92Å; S115-P121 WeakPolarHBondContact OG-CD 3.35Å; S115-P121 WeakPolarHBondContact OG-CG 3.3Å; Y117-P121 HydrophobicContact CD2-CG 4.25Å | ||
| 122 | A | 93 | Very high | 86.3 | Confident | 6 Ų | 6 | 49 Ų | 49 | 5% | 0.05 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G16 R17 W109 Y110 | G16-A122 CarbonylContact C-O 3.59Å; G16-A122 WeakPolarHBondContact CA-O 3.47Å; R17-A122 HydrophobicContact CG-CB 4.2Å; R17-A122 PolarHBondContact N-O 3.44Å; R17-A122 PolarHBondContact O-N 3.04Å; W109-A122 HydrophobicContact CE3-CB 4.03Å; Y110-A122 CarbonylContact O-C 3.41Å; Y110-A122 WeakPolarHBondContact O-CA 3.34Å; Y110-A122 WeakPolarHBondContact O-CB 3.23Å |
| 123 | V | 93.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.4 | 177 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | L13 T15 F19 F51 F94 Y110 I112 A125 | L13-V123 HydrophobicContact CD2-CG1 4.23Å; T15-V123 CarbonylContact O-C 3.55Å; F19-V123 HydrophobicContact CE2-CG2 4.39Å; F19-V123 HydrophobicContact CZ-CG2 4.07Å; F51-V123 HydrophobicContact CD2-CG1 4.28Å; F51-V123 HydrophobicContact CE2-CG1 4.13Å; F51-V123 HydrophobicContact CE2-CG2 4.36Å; F94-V123 HydrophobicContact CE1-CB 4Å; F94-V123 HydrophobicContact CE1-CG1 4.44Å; F94-V123 HydrophobicContact CE1-CG2 4Å; F94-V123 HydrophobicContact CZ-CB 4.19Å; F94-V123 HydrophobicContact CZ-CG1 4.29Å; Y110-V123 PolarHBondContact N-O 2.9Å; Y110-V123 PolarHBondContact O-N 3.31Å; I112-V123 HydrophobicContact CD1-CG2 4.19Å; I112-V123 HydrophobicContact CG1-CG2 4.42Å; V123-A125 HydrophobicContact CG1-CB 4.47Å |
| 124 | F | 93.4 | Very high | 81 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113.2 | 170.4 | -167.2 | -123.9 | 0 | 0 | 0 | 108.7 | I14 T15 Y107 K108 W109 | I14-F124 HydrophobicContact CB-CD1 4.03Å; I14-F124 HydrophobicContact CG1-CD1 4.4Å; I14-F124 HydrophobicContact CG2-CD1 4.25Å; I14-F124 PolarHBondContact N-O 2.78Å; T15-F124 HydrophobicContact CG2-CB 3.83Å; T15-F124 HydrophobicContact CG2-CD1 4.42Å; T15-F124 PolarHBondContact O-N 2.99Å; Y107-F124 HydrophobicContact CD1-CE1 4.37Å; Y107-F124 HydrophobicContact CG-CE1 4.27Å; Y107-F124 HydrophobicContact CG-CZ 4.32Å; K108-F124 WeakPolarHBondContact O-CA 3.44Å; K108-F124 WeakPolarHBondContact O-CD2 3.43Å; W109-F124 AromaticContact CD1-CD2 3.71Å; W109-F124 HydrophobicContact CD2-CB 3.95Å; W109-F124 AromaticContact CD2-CD2 3.92Å; W109-F124 HydrophobicContact CD2-CD2 3.92Å; W109-F124 HydrophobicContact CD2-CG 4.33Å; W109-F124 AromaticContact CE2-CD2 3.75Å; W109-F124 HydrophobicContact CE3-CB 3.86Å; W109-F124 AromaticContact CG-CD2 3.92Å; W109-F124 HydrophobicContact CG-CD2 3.92Å; W109-F124 HydrophobicContact CH2-CB 3.83Å; W109-F124 HydrophobicContact CZ2-CB 3.9Å; W109-F124 HydrophobicContact CZ2-CD2 4.38Å; W109-F124 HydrophobicContact CZ2-CG 4.24Å; W109-F124 HydrophobicContact CZ3-CB 3.79Å; W109-F124 AromaticContact NE1-CD2 3.58Å |
| 125 | A | 92.7 | Very high | 78 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 162.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A12 L13 F94 Y107 K108 Y110 V123 | A12-A125 CarbonylContact O-C 3.34Å; A12-A125 WeakPolarHBondContact O-CA 3.47Å; A12-A125 VanDerWaalsContact O-CB 3.28Å; A12-A125 WeakPolarHBondContact O-CB 3.43Å; L13-A125 HydrophobicContact CD2-CB 3.88Å; F94-A125 HydrophobicContact CE2-CB 4.16Å; F94-A125 HydrophobicContact CZ-CB 4.37Å; Y107-A125 CarbonylContact C-O 3.58Å; Y107-A125 VanDerWaalsContact CA-O 3.32Å; Y107-A125 WeakPolarHBondContact CA-O 3.26Å; K108-A125 PolarHBondContact N-O 2.93Å; K108-A125 PolarHBondContact O-N 3.05Å; Y110-A125 HydrophobicContact CD2-CB 3.92Å; Y110-A125 HydrophobicContact CE2-CB 4.17Å; Y110-A125 WeakPolarHBondContact CE2-O 3.36Å; V123-A125 HydrophobicContact CG1-CB 4.47Å |
| 126 | S | 90.8 | Very high | 75.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 156.4 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | V11 A12 V106 Y107 | V11-S126 WeakPolarHBondContact CA-O 3.44Å; A12-S126 PolarHBondContact N-O 2.68Å; A12-S126 PolarHBondContact O-N 3.29Å; V106-S126 PolarHBondContact N-OG 3.04Å; V106-S126 PolarHBondContact O-OG 3.01Å; Y107-S126 VanDerWaalsContact CD1-CB 3.43Å |
| 127 | I | 92 | Very high | 72.6 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 125.8 | 162.6 | -160.5 | 175.8 | 0 | 0 | 0 | 108.8 | V9 V10 V11 L74 L96 L98 C101 | V9-I127 HydrophobicContact CG1-CD1 4.24Å; V9-I127 HydrophobicContact CG1-CG1 4.36Å; V10-I127 WeakPolarHBondContact O-CA 3.41Å; V10-I127 WeakPolarHBondContact O-CG1 3.47Å; V11-I127 HydrophobicContact CG2-CB 4.48Å; V11-I127 HydrophobicContact CG2-CD1 3.82Å; V11-I127 HydrophobicContact CG2-CG1 3.78Å; L74-I127 HydrophobicContact CD2-CD1 4.16Å; L96-I127 HydrophobicContact CB-CB 4.27Å; L96-I127 HydrophobicContact CB-CD1 3.85Å; L96-I127 HydrophobicContact CB-CG2 4.19Å; L96-I127 HydrophobicContact CD1-CB 4.26Å; L96-I127 HydrophobicContact CD1-CD1 4.37Å; L98-I127 HydrophobicContact CD2-CD1 3.89Å; C101-I127 VanDerWaalsContact SG-CD1 3.57Å; C101-I127 WeakPolarHBondContact SG-CG1 3.47Å |
| 128 | Y | 91.4 | Very high | 69.6 | Low | 1 Ų | 1 | 64.3 Ų | 64.3 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 175.6 | -173.2 | 65.6 | -96 | 0 | 0 | 0 | 110.9 | V10 A12 E54 S102 K105 D130 | V10-Y128 HydrophobicContact CB-CD1 4.35Å; V10-Y128 HydrophobicContact CB-CD2 4.02Å; V10-Y128 HydrophobicContact CB-CE1 4.04Å; V10-Y128 HydrophobicContact CB-CE2 3.64Å; V10-Y128 HydrophobicContact CB-CG 4.36Å; V10-Y128 HydrophobicContact CG1-CE1 3.87Å; V10-Y128 HydrophobicContact CG1-CE2 4.02Å; V10-Y128 HydrophobicContact CG2-CD2 4.37Å; V10-Y128 HydrophobicContact CG2-CE2 3.86Å; V10-Y128 PolarHBondContact N-O 2.86Å; V10-Y128 PolarHBondContact O-N 3.27Å; A12-Y128 HydrophobicContact CB-CE1 4.03Å; E54-Y128 WeakPolarHBondContact OE1-CE1 3.46Å; E54-Y128 PolarHBondContact OE1-OH 3.14Å; E54-Y128 PolarHBondContact OE2-OH 2.88Å; S102-Y128 CarbonylContact O-C 3.56Å; S102-Y128 WeakPolarHBondContact O-CA 3.19Å; S102-Y128 WeakPolarHBondContact O-CB 3.32Å; K105-Y128 HydrophobicContact CB-CD1 4.15Å; K105-Y128 HydrophobicContact CB-CE1 4.42Å; K105-Y128 HydrophobicContact CB-CG 4.39Å; K105-Y128 HydrophobicContact CD-CD1 4.2Å; K105-Y128 HydrophobicContact CD-CD2 4.08Å; K105-Y128 HydrophobicContact CD-CE1 3.79Å; K105-Y128 HydrophobicContact CD-CE2 3.7Å; K105-Y128 HydrophobicContact CD-CG 4.31Å; K105-Y128 VanDerWaalsContact CE-CZ 3.47Å; K105-Y128 HydrophobicContact CG-CD1 3.95Å; K105-Y128 HydrophobicContact CG-CD2 3.93Å; K105-Y128 HydrophobicContact CG-CE1 4.07Å; K105-Y128 HydrophobicContact CG-CE2 4.09Å; K105-Y128 HydrophobicContact CG-CG 3.85Å; K105-Y128 VanDerWaalsContact NZ-CZ 3.27Å; K105-Y128 PolarHBondContact NZ-OH 3.31Å; Y128-D130 HydrophobicContact CE2-CB 4.16Å; Y128-D130 WeakPolarHBondContact CE2-OD2 3.39Å |
| 129 | I | 88.4 | Confident | 67.2 | Low | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.8 | 173.8 | -68.6 | 142.1 | 0 | 0 | 0 | 107.9 | C7 L8 L64 C101 S102 I131 | C7-I129 HydrophobicContact CB-CG2 3.89Å; L8-I129 CarbonylContact O-C 3.51Å; L8-I129 VanDerWaalsContact O-CA 3.28Å; L8-I129 WeakPolarHBondContact O-CA 3.45Å; L64-I129 HydrophobicContact CD2-CD1 3.68Å; L64-I129 HydrophobicContact CD2-CG1 3.98Å; C101-I129 HydrophobicContact CB-CD1 3.64Å; C101-I129 HydrophobicContact CB-CG1 3.89Å; S102-I129 PolarHBondContact O-N 2.95Å; I129-I131 HydrophobicContact CG2-CD1 4.44Å; I129-I131 HydrophobicContact CG2-CG1 3.92Å |
| 130 | D | 82.3 | Confident | 65.2 | Low | 61 Ų | 61 | 61.5 Ų | 61.5 | 33% | 0.326 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 147.8 | 166.1 | -132.8 | -53.7 | 0 | 0 | 0 | 110.1 | L8 V10 K105 Y128 | L8-D130 HydrophobicContact CB-CB 4.31Å; L8-D130 PolarHBondContact N-O 3.5Å; L8-D130 VanDerWaalsContact N-O 3.09Å; L8-D130 PolarHBondContact O-N 3.48Å; V10-D130 HydrophobicContact CG2-CB 4.07Å; K105-D130 IonicContact NZ-OD2 3.65Å; K105-D130 PolarHBondContact NZ-OD2 2.83Å; Y128-D130 HydrophobicContact CE2-CB 4.16Å; Y128-D130 WeakPolarHBondContact CE2-OD2 3.39Å |
| 131 | I | 66.4 | Low | 62.8 | Low | 68 Ų | 68 | 68 Ų | 68 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | trans | -134.2 | 113.5 | -174.8 | -54.7 | -179 | 0 | 0 | 0 | 107.3 | T103 I129 G133 | T103-I131 HydrophobicContact CG2-CD1 3.9Å; T103-I131 HydrophobicContact CG2-CG1 4.4Å; I129-I131 HydrophobicContact CG2-CD1 4.44Å; I129-I131 HydrophobicContact CG2-CG1 3.92Å; I131-G133 PolarHBondContact O-N 3.14Å | ||
| 132 | E | 52.3 | Low | 59.8 | Low | 166 Ų | 166 | 72.2 Ų | 72.2 | 78% | 0.776 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 130.6 | -177.3 | -61.1 | -178.2 | 118.2 | 0 | 0 | 111.9 | ||
| 133 | G | 42.7 | Very low | 57 | Low | 87 Ų | 87 | 78.9 Ų | 78.9 | 90% | 0.897 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 14.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117 | I131 | I131-G133 PolarHBondContact O-N 3.14Š|
| 134 | Q | 33.6 | Very low | 54.4 | Low | 129 Ų | 129 | 81.1 Ų | 81.1 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | trans | -119.3 | 90.7 | 172.6 | -156.1 | 166.7 | 87.2 | 0 | 0 | 112.7 | L136 | Q134-L136 HydrophobicContact CG-CD2 4Å; Q134-L136 HydrophobicContact CG-CG 3.98Å; Q134-L136 PolarHBondContact O-N 3.36Å | ||
| 135 | E | 26.8 | Very low | 51.6 | Low | 196 Ų | 196 | 81.6 Ų | 81.6 | 92% | 0.916 | 44% | 0.444 | S | S | * | . | trans | -62.6 | 87.2 | 158.5 | -81.6 | -164.8 | 125.5 | 0 | 0 | 109.2 | V137 | E135-V137 VanDerWaalsContact C-N 3.32Å; E135-V137 PolarHBondContact O-N 3.02Å | ||
| 136 | L | 32.4 | Very low | 49.2 | Very low | 95 Ų | 95 | 83.6 Ų | 83.6 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | trans | -70.5 | 92.9 | 169.4 | -76.4 | 174.6 | 0 | 0 | 0 | 108.8 | Q134 P138 | Q134-L136 HydrophobicContact CG-CD2 4Å; Q134-L136 HydrophobicContact CG-CG 3.98Å; Q134-L136 PolarHBondContact O-N 3.36Å; L136-P138 VanDerWaalsContact O-N 3.15Å | ||
| 137 | V | 27.6 | Very low | 46.6 | Very low | 126 Ų | 126 | 84.3 Ų | 84.3 | 76% | 0.764 | 46% | 0.46 | S | S | * | . | trans | -35.6 | 120.2 | 163.6 | 176 | 0 | 0 | 0 | 0 | 108.5 | E135 N139 | E135-V137 VanDerWaalsContact C-N 3.32Å; E135-V137 PolarHBondContact O-N 3.02Å; V137-N139 PolarHBondContact O-N 3.5Å | ||
| 138 | P | 27.7 | Very low | 44 | Very low | 88 Ų | 88 | 88.3 Ų | 88.3 | 57% | 0.571 | 48% | 0.48 | S | S | * | . | trans | -53.8 | 105 | -169.9 | -30.9 | 36.2 | 0 | 0 | 0 | 112 | L136 | L136-P138 VanDerWaalsContact O-N 3.15Š| ||
| 139 | N | 31.1 | Very low | 42 | Very low | 86 Ų | 86 | 90 Ų | 90 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | trans | -59.2 | 124.2 | 179.2 | 177.2 | -15.9 | 0 | 0 | 0 | 107.2 | V137 K141 M142 | V137-N139 PolarHBondContact O-N 3.5Å; N139-K141 PolarHBondContact O-N 2.9Å; N139-K141 PolarHBondContact OD1-N 3.36Å; N139-M142 HydrophobicContact CB-CG 4.04Å; N139-M142 HydrophobicContact CB-SD 3.97Å; N139-M142 WeakPolarHBondContact O-CB 3.34Å; N139-M142 PolarHBondContact O-N 3.1Å | ||
| 140 | P | 33.7 | Very low | 40.6 | Very low | 111 Ų | 111 | 90.2 Ų | 90.2 | 72% | 0.721 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 15.9 | -169.9 | 26.4 | -35.6 | 0 | 0 | 0 | 115.1 | ||
| 141 | K | 33.6 | Very low | 39.9 | Very low | 181 Ų | 181 | 90 Ų | 90 | 79% | 0.787 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | -0.7 | 168.8 | -61.3 | -176.8 | -179.6 | 179.9 | 0 | 113.4 | N139 K143 | N139-K141 PolarHBondContact O-N 2.9Å; N139-K141 PolarHBondContact OD1-N 3.36Å; K141-K143 PolarHBondContact O-N 2.93Å; K141-K143 VanDerWaalsContact O-N 3.08Å |
| 142 | M | 31.2 | Very low | 40.1 | Very low | 88 Ų | 88 | 93.4 Ų | 93.4 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | trans | -74.1 | 99 | 176.6 | -83.8 | 177.9 | 163.1 | 0 | 0 | 111 | E104 N139 T144 | E104-M142 HydrophobicContact CG-CE 4.38Å; N139-M142 HydrophobicContact CB-CG 4.04Å; N139-M142 HydrophobicContact CB-SD 3.97Å; N139-M142 WeakPolarHBondContact O-CB 3.34Å; N139-M142 PolarHBondContact O-N 3.1Å; M142-T144 PolarHBondContact O-N 3.16Å | ||
| 143 | K | 34.7 | Very low | 41.1 | Very low | 145 Ų | 145 | 87.9 Ų | 87.9 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | trans | -54.7 | 120.3 | 167 | -72.1 | -178.2 | -178.6 | -174.4 | 0 | 109.8 | K141 A147 M148 | K141-K143 PolarHBondContact O-N 2.93Å; K141-K143 VanDerWaalsContact O-N 3.08Å; K143-A147 HydrophobicContact CB-CB 3.84Å; K143-A147 HydrophobicContact CG-CB 4.3Å; K143-M148 HydrophobicContact CB-CG 3.98Å; K143-M148 HydrophobicContact CD-CG 4.06Å; K143-M148 HydrophobicContact CD-SD 4.24Å | ||
| 144 | T | 37.4 | Very low | 42.7 | Very low | 47 Ų | 47 | 85.7 Ų | 85.7 | 29% | 0.288 | 46% | 0.461 | S | S | . | . | trans | -58.5 | 158.6 | 171.5 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | M142 L146 A147 | M142-T144 PolarHBondContact O-N 3.16Å; T144-L146 PolarHBondContact O-N 3.27Å; T144-A147 WeakPolarHBondContact O-CA 3.48Å; T144-A147 WeakPolarHBondContact O-CB 3.43Å; T144-A147 PolarHBondContact O-N 2.87Å | ||
| 145 | G | 35 | Very low | 45.1 | Very low | 21 Ų | 21 | 80.1 Ų | 80.1 | 22% | 0.216 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -54.5 | -34.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y107 | Y107-G145 VanDerWaalsContact CD2-CA 3.43Š|
| 146 | L | 42 | Very low | 47.8 | Very low | 42 Ų | 42 | 75.5 Ų | 75.5 | 22% | 0.22 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -60.8 | -41.5 | 172 | -77.6 | 164 | 0 | 0 | 0 | 112.8 | T144 M148 S149 L150 L193 D267 I271 | T144-L146 PolarHBondContact O-N 3.27Å; L146-M148 PolarHBondContact O-N 3.31Å; L146-S149 PolarHBondContact O-N 3.34Å; L146-L150 WeakPolarHBondContact O-CG 3.28Å; L146-L150 PolarHBondContact O-N 3.37Å; L146-L193 HydrophobicContact CD2-CD1 3.83Å; L146-D267 HydrophobicContact CD1-CB 3.76Å; L146-I271 HydrophobicContact CB-CD1 4.02Å |
| 147 | A | 36.9 | Very low | 50.3 | Low | 15 Ų | 15 | 72.6 Ų | 72.6 | 12% | 0.124 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -66.4 | -4.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K143 T144 I271 | K143-A147 HydrophobicContact CB-CB 3.84Å; K143-A147 HydrophobicContact CG-CB 4.3Å; T144-A147 WeakPolarHBondContact O-CA 3.48Å; T144-A147 WeakPolarHBondContact O-CB 3.43Å; T144-A147 PolarHBondContact O-N 2.87Å; A147-I271 HydrophobicContact CB-CD1 3.52Å; A147-I271 HydrophobicContact CB-CG1 3.58Å; A147-I271 HydrophobicContact CB-CG2 4.26Å |
| 148 | M | 38.1 | Very low | 52.9 | Low | 88 Ų | 88 | 72.8 Ų | 72.8 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -113.6 | -0.2 | 171.8 | -61.4 | -136.3 | -75 | 0 | 0 | 113.7 | V106 K143 L146 | V106-M148 HydrophobicContact CB-CE 4.11Å; V106-M148 HydrophobicContact CG1-CE 3.8Å; V106-M148 HydrophobicContact CG2-CE 3.77Å; K143-M148 HydrophobicContact CB-CG 3.98Å; K143-M148 HydrophobicContact CD-CG 4.06Å; K143-M148 HydrophobicContact CD-SD 4.24Å; L146-M148 PolarHBondContact O-N 3.31Å |
| 149 | S | 48 | Very low | 55.4 | Low | 35 Ų | 35 | 72.3 Ų | 72.3 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -18.5 | 166.3 | -174.1 | 0 | 0 | 0 | 0 | 113.5 | W109 L146 | W109-S149 PolarHBondContact NE1-OG 2.78Å; L146-S149 PolarHBondContact O-N 3.34Å |
| 150 | L | 60.4 | Low | 57.1 | Low | 20 Ų | 20 | 70.5 Ų | 70.5 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | trans | -89.2 | 123.9 | -178.8 | -59.8 | -177.1 | 0 | 0 | 0 | 110.1 | L146 D154 L155 P190 I268 I271 | L146-L150 WeakPolarHBondContact O-CG 3.28Å; L146-L150 PolarHBondContact O-N 3.37Å; L150-D154 HydrophobicContact CB-CB 4.32Å; L150-D154 HydrophobicContact CD2-CB 4.12Å; L150-L155 HydrophobicContact CB-CD2 4.35Å; L150-L155 HydrophobicContact CD1-CD2 3.83Å; L150-P190 VanDerWaalsContact CD2-CD 3.42Å; L150-P190 HydrophobicContact CD2-CG 3.72Å; L150-I268 HydrophobicContact CD1-CG1 4.17Å; L150-I268 HydrophobicContact CD1-CG2 4.41Å; L150-I271 HydrophobicContact CD1-CD1 4.06Å | ||
| 151 | S | 66.8 | Low | 58.3 | Low | 55 Ų | 55 | 69.5 Ų | 69.5 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | trans | -76.8 | 162.6 | 166.2 | 69.6 | 0 | 0 | 0 | 0 | 110.5 | A153 D154 L155 | S151-A153 PolarHBondContact O-N 3.04Å; S151-A153 PolarHBondContact OG-N 2.72Å; S151-D154 WeakPolarHBondContact CB-OD2 3.28Å; S151-D154 PolarHBondContact N-OD2 2.88Å; S151-D154 WeakPolarHBondContact O-CB 3.15Å; S151-D154 PolarHBondContact O-N 3.04Å; S151-D154 PolarHBondContact OG-N 3.15Å; S151-D154 PolarHBondContact OG-OD2 3.19Å; S151-L155 PolarHBondContact O-N 2.92Å | ||
| 152 | E | 70.4 | Confident | 59.3 | Low | 140 Ų | 140 | 64.4 Ų | 64.4 | 65% | 0.654 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -52.7 | -38.2 | 169.9 | -171 | 165.4 | -149.7 | 0 | 0 | 111.4 | D154 L155 I156 H275 | E152-D154 VanDerWaalsContact C-N 3.3Å; E152-D154 PolarHBondContact O-N 3.06Å; E152-L155 PolarHBondContact O-N 3.36Å; E152-L155 VanDerWaalsContact O-N 3.11Å; E152-I156 PolarHBondContact O-N 3.22Å; E152-H275 IonicContact OE1-CE1 2.75Å; E152-H275 PolarHBondContact OE1-CE1 3.44Å |
| 153 | A | 74 | Confident | 60 | Low | 51 Ų | 51 | 68.3 Ų | 68.3 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -24.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S151 I156 R158 | S151-A153 PolarHBondContact O-N 3.04Å; S151-A153 PolarHBondContact OG-N 2.72Å; A153-I156 HydrophobicContact CB-CD1 4.48Å; A153-R158 PolarHBondContact O-NH2 3.3Å |
| 154 | D | 76.4 | Confident | 60.5 | Low | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.214 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -78.6 | -24.3 | 173.4 | -62.4 | -62.8 | 0 | 0 | 0 | 112.4 | L150 S151 E152 G189 P190 | L150-D154 HydrophobicContact CB-CB 4.32Å; L150-D154 HydrophobicContact CD2-CB 4.12Å; S151-D154 WeakPolarHBondContact CB-OD2 3.28Å; S151-D154 PolarHBondContact N-OD2 2.88Å; S151-D154 WeakPolarHBondContact O-CB 3.15Å; S151-D154 PolarHBondContact O-N 3.04Å; S151-D154 PolarHBondContact OG-N 3.15Å; S151-D154 PolarHBondContact OG-OD2 3.19Å; E152-D154 VanDerWaalsContact C-N 3.3Å; E152-D154 PolarHBondContact O-N 3.06Å; D154-G189 WeakPolarHBondContact O-CA 3.43Å; D154-G189 PolarHBondContact O-N 3.26Å; D154-P190 HydrophobicContact CB-CG 4.49Å |
| 155 | L | 82.9 | Confident | 60.8 | Low | 13 Ų | 13 | 68.8 Ų | 68.8 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -83.5 | -14.6 | 177.4 | -60.4 | 177.5 | 0 | 0 | 0 | 113.1 | L150 S151 E152 P157 I271 Y272 H275 | L150-L155 HydrophobicContact CB-CD2 4.35Å; L150-L155 HydrophobicContact CD1-CD2 3.83Å; S151-L155 PolarHBondContact O-N 2.92Å; E152-L155 PolarHBondContact O-N 3.36Å; E152-L155 VanDerWaalsContact O-N 3.11Å; L155-P157 VanDerWaalsContact O-CD 3.29Å; L155-P157 WeakPolarHBondContact O-CD 3.37Å; L155-I271 HydrophobicContact CD1-CG2 3.86Å; L155-I271 HydrophobicContact CD2-CB 4.43Å; L155-I271 HydrophobicContact CD2-CG2 3.81Å; L155-I271 HydrophobicContact CG-CG2 4.49Å; L155-Y272 WeakPolarHBondContact O-CD2 2.91Å; L155-H275 HydrophobicContact CD1-CB 3.99Å |
| 156 | I | 83.2 | Confident | 60.9 | Low | 98 Ų | 98 | 73.9 Ų | 73.9 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -59.7 | 119.5 | 173.3 | -61 | 176 | 0 | 0 | 0 | 109.6 | E152 A153 R158 | E152-I156 PolarHBondContact O-N 3.22Å; A153-I156 HydrophobicContact CB-CD1 4.48Å; I156-R158 VanDerWaalsContact O-CG 3.29Å; I156-R158 WeakPolarHBondContact O-CG 3.49Å; I156-R158 PolarHBondContact O-N 3.48Å |
| 157 | P | 84.9 | Confident | 60.8 | Low | 34 Ų | 34 | 80.3 Ų | 80.3 | 22% | 0.221 | 42% | 0.42 | C | S | . | . | trans | -64 | 132.1 | 175.9 | -19.9 | 32.7 | 0 | 0 | 0 | 111.4 | L155 Y186 I188 F236 Y272 | L155-P157 VanDerWaalsContact O-CD 3.29Å; L155-P157 WeakPolarHBondContact O-CD 3.37Å; P157-Y186 HydrophobicContact CB-CD1 4.32Å; P157-I188 HydrophobicContact CB-CG1 4.17Å; P157-I188 HydrophobicContact CG-CG1 4.4Å; P157-F236 HydrophobicContact CB-CD1 3.97Å; P157-F236 HydrophobicContact CG-CD1 3.7Å; P157-F236 HydrophobicContact CG-CE1 4.48Å; P157-Y272 HydrophobicContact CG-CE2 3.62Å | ||
| 158 | R | 83.5 | Confident | 60.8 | Low | 131 Ų | 131 | 88.2 Ų | 88.2 | 49% | 0.494 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.7 | -176.9 | -46.9 | -172.6 | -168.9 | 169.7 | 5.4 | 110.4 | A153 I156 Y160 Y186 T187 | A153-R158 PolarHBondContact O-NH2 3.3Å; I156-R158 VanDerWaalsContact O-CG 3.29Å; I156-R158 WeakPolarHBondContact O-CG 3.49Å; I156-R158 PolarHBondContact O-N 3.48Å; R158-Y160 PolarHBondContact O-N 3.31Å; R158-Y186 CarbonylContact O-C 3.58Å; R158-Y186 WeakPolarHBondContact O-CA 3.42Å; R158-T187 PolarHBondContact N-O 2.94Å; R158-T187 PolarHBondContact O-N 3.37Å |
| 159 | V | 80.3 | Confident | 60.5 | Low | 78 Ų | 78 | 91.1 Ų | 91.1 | 47% | 0.473 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 130 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | N161 T184 Y186 | V159-N161 PolarHBondContact O-N 3.49Å; V159-T184 HydrophobicContact CG1-CG2 3.92Å; V159-T184 HydrophobicContact CG2-CG2 4.38Å; V159-Y186 HydrophobicContact CG2-CE1 4.2Å |
| 160 | Y | 65.9 | Low | 59.8 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 18% | 0.184 | 49% | 0.488 | C | S | . | . | trans | -85.4 | 100.1 | 179.2 | 179.4 | -94.4 | 0 | 0 | 0 | 110.1 | R158 W185 | R158-Y160 PolarHBondContact O-N 3.31Å; Y160-W185 HydrophobicContact CD1-CB 4.47Å; Y160-W185 PolarHBondContact N-O 2.95Å | ||
| 161 | N | 58.5 | Low | 58.8 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | trans | -82.9 | 119.8 | 170.3 | -63.5 | -14.1 | 0 | 0 | 0 | 109 | V159 E163 | V159-N161 PolarHBondContact O-N 3.49Å; N161-E163 VanDerWaalsContact C-N 3.29Å; N161-E163 PolarHBondContact O-N 2.97Å | ||
| 162 | S | 54.6 | Low | 57.3 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.6 | -178.7 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | E164 N166 | S162-E164 VanDerWaalsContact C-N 3.35Å; S162-E164 PolarHBondContact O-N 3.03Å; S162-N166 PolarHBondContact O-ND2 3.48Å; S162-N166 VanDerWaalsContact O-ND2 3.13Å |
| 163 | E | 47 | Very low | 55.7 | Low | 169 Ų | 169 | 97.3 Ų | 97.3 | 79% | 0.79 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -28.7 | -170.6 | -58.9 | -170.6 | 149.9 | 0 | 0 | 113.1 | N161 N166 | N161-E163 VanDerWaalsContact C-N 3.29Å; N161-E163 PolarHBondContact O-N 2.97Å; E163-N166 PolarHBondContact O-ND2 3.23Å |
| 164 | E | 44.9 | Very low | 54.2 | Low | 143 Ų | 143 | 100 Ų | 100 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -86.8 | -29.5 | -175.1 | -61.5 | -177.6 | 143.7 | 0 | 0 | 114.6 | S162 N166 | S162-E164 VanDerWaalsContact C-N 3.35Å; S162-E164 PolarHBondContact O-N 3.03Å; E164-N166 VanDerWaalsContact C-N 3.29Å; E164-N166 PolarHBondContact O-N 2.92Å |
| 165 | D | 44 | Very low | 52.5 | Low | 60 Ų | 60 | 100.2 Ų | 100.2 | 32% | 0.321 | 52% | 0.522 | S | S | . | . | trans | -84 | 5 | -173.7 | -85.4 | -4.8 | 0 | 0 | 0 | 113.9 | Q167 R191 | D165-Q167 PolarHBondContact O-N 3.17Å; D165-R191 IonicContact OD1-CZ 2.77Å; D165-R191 IonicContact OD1-NH1 2.75Å; D165-R191 PolarHBondContact OD1-NH1 2.93Å; D165-R191 IonicContact OD2-CZ 2.71Å; D165-R191 IonicContact OD2-NH1 3.19Å; D165-R191 PolarHBondContact OD2-NH1 2.85Å | ||
| 166 | N | 37.1 | Very low | 50.4 | Low | 127 Ų | 127 | 103.8 Ų | 103.8 | 68% | 0.679 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 10.6 | -170.1 | -84.5 | -54.4 | 0 | 0 | 0 | 117.1 | S162 E163 E164 | S162-N166 PolarHBondContact O-ND2 3.48Å; S162-N166 VanDerWaalsContact O-ND2 3.13Å; E163-N166 PolarHBondContact O-ND2 3.23Å; E164-N166 VanDerWaalsContact C-N 3.29Å; E164-N166 PolarHBondContact O-N 2.92Å |
| 167 | Q | 39.2 | Very low | 48.2 | Very low | 178 Ų | 178 | 106.5 Ų | 106.5 | 83% | 0.832 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -19.5 | -178 | -65 | -168.7 | 2.4 | 0 | 0 | 115 | D165 | D165-Q167 PolarHBondContact O-N 3.17Š|
| 168 | H | 36.1 | Very low | 46.1 | Very low | 181 Ų | 181 | 108.8 Ų | 108.8 | 84% | 0.838 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.5 | 20.5 | -174 | -100.4 | -70.1 | 0 | 0 | 0 | 117.2 | ||
| 169 | F | 32.8 | Very low | 43.8 | Very low | 149 Ų | 149 | 111.3 Ų | 111.3 | 65% | 0.654 | 59% | 0.588 | S | S | * | * | trans | -145.3 | 113.7 | 170.9 | -137.2 | -91.7 | 0 | 0 | 0 | 113.9 | ||||
| 170 | S | 33.4 | Very low | 41.8 | Very low | 105 Ų | 105 | 111.8 Ų | 111.8 | 73% | 0.734 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -76 | 122.1 | 164.3 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 171 | L | 38 | Very low | 40.6 | Very low | 89 Ų | 89 | 115.2 Ų | 115.2 | 47% | 0.466 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 141.9 | 167.4 | -96 | 66.5 | 0 | 0 | 0 | 109.7 | T173 M175 | L171-T173 PolarHBondContact O-N 3.02Å; L171-M175 HydrophobicContact CD2-CB 4.17Å; L171-M175 HydrophobicContact CD2-SD 3.86Å; L171-M175 HydrophobicContact CG-SD 4.25Å |
| 172 | P | 35.6 | Very low | 40.6 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 45% | 0.448 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 132.3 | 172.8 | -25.4 | 34.5 | 0 | 0 | 0 | 110.6 | T174 M175 | P172-T174 PolarHBondContact O-N 2.94Å; P172-M175 PolarHBondContact O-N 2.81Å |
| 173 | T | 37.4 | Very low | 41.4 | Very low | 116 Ų | 116 | 117.7 Ų | 117.7 | 71% | 0.712 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -54.9 | -23.5 | -168.9 | -41.3 | 0 | 0 | 0 | 0 | 113.7 | L171 M175 T176 | L171-T173 PolarHBondContact O-N 3.02Å; T173-M175 VanDerWaalsContact C-N 3.27Å; T173-M175 PolarHBondContact O-N 3.5Å; T173-T176 WeakPolarHBondContact O-CG2 3.19Å; T173-T176 PolarHBondContact O-N 3.42Å; T173-T176 PolarHBondContact O-OG1 3.4Å |
| 174 | T | 42 | Very low | 42.9 | Very low | 109 Ų | 109 | 112.9 Ų | 112.9 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -58.7 | -26.6 | 172.4 | -23.3 | 0 | 0 | 0 | 0 | 114.9 | P172 | P172-T174 PolarHBondContact O-N 2.94Š|
| 175 | M | 41.6 | Very low | 44.8 | Very low | 43 Ų | 43 | 108 Ų | 108 | 21% | 0.212 | 59% | 0.585 | C | S | . | * | G | 310 helix | trans | -81 | -12.7 | 179.6 | -83.7 | -176.3 | 162.6 | 0 | 0 | 114.2 | L171 P172 T173 N177 I178 W185 Y197 Y352 | L171-M175 HydrophobicContact CD2-CB 4.17Å; L171-M175 HydrophobicContact CD2-SD 3.86Å; L171-M175 HydrophobicContact CG-SD 4.25Å; P172-M175 PolarHBondContact O-N 2.81Å; T173-M175 VanDerWaalsContact C-N 3.27Å; T173-M175 PolarHBondContact O-N 3.5Å; M175-N177 PolarHBondContact O-N 2.74Å; M175-N177 VanDerWaalsContact O-N 3.09Å; M175-I178 PolarHBondContact O-N 3.33Å; M175-W185 HydrophobicContact CE-CH2 4.28Å; M175-W185 HydrophobicContact CE-CZ2 4.07Å; M175-Y197 HydrophobicContact CE-CD1 4.31Å; M175-Y197 HydrophobicContact CE-CE1 4.47Å; M175-Y197 HydrophobicContact CE-CG 4.41Å; M175-Y352 HydrophobicContact CE-CD1 4.09Å; M175-Y352 HydrophobicContact CE-CE1 3.78Å |
| 176 | T | 37.6 | Very low | 46.9 | Very low | 89 Ų | 89 | 106.3 Ų | 106.3 | 55% | 0.546 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -63.7 | -16.4 | -176.3 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | T173 | T173-T176 WeakPolarHBondContact O-CG2 3.19Å; T173-T176 PolarHBondContact O-N 3.42Å; T173-T176 PolarHBondContact O-OG1 3.4Å |
| 177 | N | 37.8 | Very low | 49.5 | Very low | 155 Ų | 155 | 100.7 Ų | 100.7 | 83% | 0.829 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -89 | 5.4 | -178.4 | -106 | -20.3 | 0 | 0 | 0 | 114.8 | M175 | M175-N177 PolarHBondContact O-N 2.74Å; M175-N177 VanDerWaalsContact O-N 3.09Å |
| 178 | I | 41.4 | Very low | 51.8 | Low | 82 Ų | 82 | 92.2 Ų | 92.2 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | trans | -110.3 | 60.6 | 176.2 | -45.1 | -178.5 | 0 | 0 | 0 | 110 | M175 S180 I183 Y352 | M175-I178 PolarHBondContact O-N 3.33Å; I178-S180 PolarHBondContact O-N 2.94Å; I178-I183 HydrophobicContact CG2-CD1 4.3Å; I178-Y352 WeakPolarHBondContact CD1-OH 3.46Å | ||
| 179 | Q | 35.5 | Very low | 54.1 | Low | 184 Ų | 184 | 84 Ų | 84 | 86% | 0.86 | 47% | 0.469 | S | S | * | . | trans | -83.3 | 23.7 | 170.8 | -68.1 | -167.6 | -33.4 | 0 | 0 | 113 | ||||
| 180 | S | 36.8 | Very low | 56.3 | Low | 88 Ų | 88 | 78.7 Ų | 78.7 | 62% | 0.615 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -138.7 | 129.5 | -173.8 | -64.9 | 0 | 0 | 0 | 0 | 110.9 | I178 | I178-S180 PolarHBondContact O-N 2.94Š|
| 181 | T | 41.3 | Very low | 58.1 | Low | 118 Ų | 118 | 79.3 Ų | 79.3 | 72% | 0.724 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 78.8 | 140.7 | -178.9 | 75.5 | 0 | 0 | 0 | 0 | 116.9 | I183 | T181-I183 PolarHBondContact O-N 3.08Š|
| 182 | N | 59 | Low | 59.6 | Low | 167 Ų | 167 | 80.7 Ų | 80.7 | 89% | 0.893 | 44% | 0.435 | S | S | * | . | trans | -82.6 | 72.2 | -171.5 | -64.6 | -6.7 | 0 | 0 | 0 | 111.9 | T184 | N182-T184 PolarHBondContact O-N 2.93Š| ||
| 183 | I | 70.5 | Confident | 61.4 | Low | 50 Ų | 50 | 80.1 Ų | 80.1 | 26% | 0.256 | 43% | 0.428 | S | S | . | . | trans | -73.6 | 111.3 | 178.8 | -61.7 | 178.4 | 0 | 0 | 0 | 110.4 | I178 T181 Y261 | I178-I183 HydrophobicContact CG2-CD1 4.3Å; T181-I183 PolarHBondContact O-N 3.08Å; I183-Y261 HydrophobicContact CG2-CD1 3.96Å; I183-Y261 HydrophobicContact CG2-CD2 3.45Å; I183-Y261 VanDerWaalsContact CG2-CD2 3.45Å; I183-Y261 HydrophobicContact CG2-CE1 4.28Å; I183-Y261 HydrophobicContact CG2-CE2 3.8Å; I183-Y261 HydrophobicContact CG2-CG 3.52Å | ||
| 184 | T | 78.7 | Confident | 63.5 | Low | 69 Ų | 69 | 74.6 Ų | 74.6 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | trans | -83.3 | 121.2 | 174.1 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | V159 N182 Y186 | V159-T184 HydrophobicContact CG1-CG2 3.92Å; V159-T184 HydrophobicContact CG2-CG2 4.38Å; N182-T184 PolarHBondContact O-N 2.93Å; T184-Y186 HydrophobicContact CG2-CE2 4.07Å | ||
| 185 | W | 85.5 | Confident | 65.3 | Low | 41 Ų | 41 | 75.9 Ų | 75.9 | 16% | 0.155 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.7 | 177.2 | -73.3 | 86.8 | 0 | 0 | 0 | 111.5 | Y160 M175 Y197 Y261 Y352 | Y160-W185 HydrophobicContact CD1-CB 4.47Å; Y160-W185 PolarHBondContact N-O 2.95Å; M175-W185 HydrophobicContact CE-CH2 4.28Å; M175-W185 HydrophobicContact CE-CZ2 4.07Å; W185-Y197 HydrophobicContact CE3-CD1 4.01Å; W185-Y197 AromaticContact CH2-CD1 3.97Å; W185-Y197 HydrophobicContact CH2-CD1 3.97Å; W185-Y197 HydrophobicContact CH2-CG 4.45Å; W185-Y197 AromaticContact CZ3-CD1 3.58Å; W185-Y197 HydrophobicContact CZ3-CD1 3.58Å; W185-Y197 HydrophobicContact CZ3-CG 4.24Å; W185-Y261 CarbonylContact C-O 3.55Å; W185-Y261 WeakPolarHBondContact CA-O 3.37Å; W185-Y261 AromaticContact CH2-CD1 3.98Å; W185-Y261 HydrophobicContact CH2-CD1 3.98Å; W185-Y261 AromaticContact CZ2-CD1 3.99Å; W185-Y261 HydrophobicContact CZ2-CD1 3.99Å; W185-Y261 HydrophobicContact CZ2-CG 4.45Å; W185-Y261 HydrophobicContact CZ3-CD1 4.47Å; W185-Y352 AromaticContact CH2-CD1 3.91Å; W185-Y352 HydrophobicContact CH2-CD1 3.91Å; W185-Y352 HydrophobicContact CH2-CE1 4.21Å; W185-Y352 HydrophobicContact CH2-CG 4.19Å; W185-Y352 HydrophobicContact CZ2-CE1 4.37Å |
| 186 | Y | 88.4 | Confident | 67.4 | Low | 23 Ų | 23 | 76.6 Ų | 76.6 | 9% | 0.09 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.9 | 176.9 | -63.6 | -92.4 | 0 | 0 | 0 | 110 | P157 R158 V159 T184 F236 I238 F260 Y261 I262 K263 | P157-Y186 HydrophobicContact CB-CD1 4.32Å; R158-Y186 CarbonylContact O-C 3.58Å; R158-Y186 WeakPolarHBondContact O-CA 3.42Å; V159-Y186 HydrophobicContact CG2-CE1 4.2Å; T184-Y186 HydrophobicContact CG2-CE2 4.07Å; Y186-F236 HydrophobicContact CD1-CB 4.27Å; Y186-F236 HydrophobicContact CE1-CB 4.22Å; Y186-I238 VanDerWaalsContact OH-CD1 3.24Å; Y186-I238 WeakPolarHBondContact OH-CD1 3.49Å; Y186-F260 HydrophobicContact CE2-CD1 4.06Å; Y186-Y261 PolarHBondContact N-O 2.9Å; Y186-I262 CarbonylContact O-C 3.55Å; Y186-I262 VanDerWaalsContact O-CA 3.28Å; Y186-I262 WeakPolarHBondContact O-CA 3.41Å; Y186-K263 PolarHBondContact O-N 3.04Å |
| 187 | T | 90 | Very high | 69.9 | Low | 10 Ų | 10 | 74.3 Ų | 74.3 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 130.8 | 169.7 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | R158 A194 K263 | R158-T187 PolarHBondContact N-O 2.94Å; R158-T187 PolarHBondContact O-N 3.37Å; T187-A194 HydrophobicContact CG2-CB 3.98Å; T187-K263 WeakPolarHBondContact CA-O 3.48Å |
| 188 | I | 89 | Confident | 72.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -122.1 | 133.7 | 175.9 | -52.4 | 177.2 | 0 | 0 | 0 | 107.6 | P157 A194 F236 I262 K263 I268 L269 Y272 | P157-I188 HydrophobicContact CB-CG1 4.17Å; P157-I188 HydrophobicContact CG-CG1 4.4Å; I188-A194 WeakPolarHBondContact O-CB 3.47Å; I188-F236 HydrophobicContact CD1-CD1 4.29Å; I188-F236 HydrophobicContact CD1-CE1 3.65Å; I188-I262 HydrophobicContact CD1-CG2 3.62Å; I188-I262 HydrophobicContact CG1-CG2 3.95Å; I188-K263 PolarHBondContact N-O 3.28Å; I188-I268 HydrophobicContact CG2-CG2 4.03Å; I188-L269 HydrophobicContact CD1-CD2 4.04Å; I188-Y272 HydrophobicContact CD1-CD1 4.18Å; I188-Y272 HydrophobicContact CD1-CD2 4.48Å; I188-Y272 HydrophobicContact CD1-CE1 4.23Å; I188-Y272 HydrophobicContact CD1-CG 4.31Å; I188-Y272 HydrophobicContact CG2-CD2 3.92Å; I188-Y272 HydrophobicContact CG2-CG 4.03Å | ||
| 189 | G | 84 | Confident | 74.9 | Confident | 7 Ų | 7 | 64 Ų | 64 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 76.5 | 177.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D154 | D154-G189 WeakPolarHBondContact O-CA 3.43Å; D154-G189 PolarHBondContact O-N 3.26Å |
| 190 | P | 79.6 | Confident | 77.6 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 25% | 0.253 | 28% | 0.279 | S | S | . | . | trans | -65.5 | 135.8 | -178.2 | -22.6 | 34.8 | 0 | 0 | 0 | 112 | L150 D154 R192 L193 A194 | L150-P190 VanDerWaalsContact CD2-CD 3.42Å; L150-P190 HydrophobicContact CD2-CG 3.72Å; D154-P190 HydrophobicContact CB-CG 4.49Å; P190-R192 PolarHBondContact O-N 2.96Å; P190-L193 HydrophobicContact CB-CD1 4.47Å; P190-L193 HydrophobicContact CG-CD1 4.12Å; P190-L193 PolarHBondContact O-N 2.98Å; P190-A194 PolarHBondContact O-N 3.46Å | ||
| 191 | R | 71 | Confident | 80.3 | Confident | 118 Ų | 118 | 51.3 Ų | 51.3 | 45% | 0.445 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -29.1 | -179.2 | -66.2 | -166.2 | -170.6 | -145.4 | 8.3 | 114.4 | D165 | D165-R191 IonicContact OD1-CZ 2.77Å; D165-R191 IonicContact OD1-NH1 2.75Å; D165-R191 PolarHBondContact OD1-NH1 2.93Å; D165-R191 IonicContact OD2-CZ 2.71Å; D165-R191 IonicContact OD2-NH1 3.19Å; D165-R191 PolarHBondContact OD2-NH1 2.85Å |
| 192 | R | 68.1 | Low | 82.7 | Confident | 117 Ų | 117 | 45.7 Ų | 45.7 | 44% | 0.442 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26.8 | 178.8 | -72.8 | 152.1 | 168.8 | -132 | 4.5 | 113.8 | E48 P190 K195 | E48-R192 WeakPolarHBondContact OE1-CD 3.3Å; E48-R192 WeakPolarHBondContact OE1-CG 3.36Å; E48-R192 IonicContact OE1-CZ 2.67Å; E48-R192 VanDerWaalsContact OE1-CZ 3.3Å; E48-R192 IonicContact OE1-NE 3.86Å; E48-R192 PolarHBondContact OE1-NE 3.07Å; E48-R192 IonicContact OE1-NH1 3.58Å; E48-R192 PolarHBondContact OE1-NH1 3.03Å; P190-R192 PolarHBondContact O-N 2.96Å; R192-K195 WeakPolarHBondContact O-CE 3.32Å |
| 193 | L | 75.1 | Confident | 84.3 | Confident | 58 Ų | 58 | 39.3 Ų | 39.3 | 30% | 0.304 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -38.4 | 177.6 | -59.9 | 174.8 | 0 | 0 | 0 | 111.2 | L146 P190 K195 T265 I268 | L146-L193 HydrophobicContact CD2-CD1 3.83Å; P190-L193 HydrophobicContact CB-CD1 4.47Å; P190-L193 HydrophobicContact CG-CD1 4.12Å; P190-L193 PolarHBondContact O-N 2.98Å; L193-K195 VanDerWaalsContact C-N 3.29Å; L193-K195 PolarHBondContact O-N 2.99Å; L193-T265 WeakPolarHBondContact O-CG2 3.42Å; L193-I268 HydrophobicContact CB-CD1 3.77Å |
| 194 | A | 80 | Confident | 85.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -69.2 | 75.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T187 I188 P190 K263 S264 | T187-A194 HydrophobicContact CG2-CB 3.98Å; I188-A194 WeakPolarHBondContact O-CB 3.47Å; P190-A194 PolarHBondContact O-N 3.46Å; A194-K263 VanDerWaalsContact O-CE 3.27Å; A194-K263 WeakPolarHBondContact O-CE 3.29Å; A194-K263 WeakPolarHBondContact O-CG 3.37Å; A194-S264 CarbonylContact C-O 3.59Å | ||
| 195 | K | 79.4 | Confident | 85.9 | Confident | 135 Ų | 135 | 36.4 Ų | 36.4 | 59% | 0.587 | 16% | 0.162 | S | C | * | . | trans | -99.1 | -19.7 | -175.2 | -63.8 | -177.3 | -171 | -180 | 0 | 114.2 | R192 L193 S264 | R192-K195 WeakPolarHBondContact O-CE 3.32Å; L193-K195 VanDerWaalsContact C-N 3.29Å; L193-K195 PolarHBondContact O-N 2.99Å; K195-S264 PolarHBondContact N-O 2.98Å | ||
| 196 | E | 86.5 | Confident | 86.1 | Confident | 58 Ų | 58 | 36.7 Ų | 36.7 | 27% | 0.271 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 155 | -175.2 | -61.7 | -177.4 | -162 | 0 | 0 | 112.4 | F198 K263 S264 R351 | E196-F198 HydrophobicContact CB-CD2 4.39Å; E196-F198 HydrophobicContact CB-CE2 3.56Å; E196-F198 HydrophobicContact CB-CZ 3.9Å; E196-F198 VanDerWaalsContact OE2-CZ 3.23Å; E196-F198 WeakPolarHBondContact OE2-CZ 3.36Å; E196-K263 CarbonylContact O-C 3.58Å; E196-K263 VanDerWaalsContact O-CA 3.29Å; E196-K263 WeakPolarHBondContact O-CA 3.49Å; E196-S264 WeakPolarHBondContact CB-O 3.44Å; E196-S264 PolarHBondContact N-O 3.32Å; E196-S264 PolarHBondContact O-N 2.9Å; E196-R351 IonicContact OE1-CZ 3.21Å; E196-R351 IonicContact OE1-NH2 3.39Å; E196-R351 PolarHBondContact OE1-NH2 3.42Å; E196-R351 IonicContact OE2-CZ 2.64Å; E196-R351 IonicContact OE2-NE 3.24Å; E196-R351 PolarHBondContact OE2-NE 2.97Å; E196-R351 IonicContact OE2-NH2 3.38Å; E196-R351 PolarHBondContact OE2-NH2 3.01Å |
| 197 | Y | 89.9 | Confident | 86.3 | Confident | 41 Ų | 41 | 35.6 Ų | 35.6 | 16% | 0.161 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137 | 179 | -58.3 | -87.6 | 0 | 0 | 0 | 110.2 | M175 W185 I262 K263 R351 Y352 | M175-Y197 HydrophobicContact CE-CD1 4.31Å; M175-Y197 HydrophobicContact CE-CE1 4.47Å; M175-Y197 HydrophobicContact CE-CG 4.41Å; W185-Y197 HydrophobicContact CE3-CD1 4.01Å; W185-Y197 AromaticContact CH2-CD1 3.97Å; W185-Y197 HydrophobicContact CH2-CD1 3.97Å; W185-Y197 HydrophobicContact CH2-CG 4.45Å; W185-Y197 AromaticContact CZ3-CD1 3.58Å; W185-Y197 HydrophobicContact CZ3-CD1 3.58Å; W185-Y197 HydrophobicContact CZ3-CG 4.24Å; Y197-I262 CarbonylContact C-O 3.54Å; Y197-I262 WeakPolarHBondContact CA-O 3.25Å; Y197-K263 HydrophobicContact CD1-CB 4.4Å; Y197-K263 HydrophobicContact CD1-CG 4.19Å; Y197-K263 HydrophobicContact CE1-CB 4.42Å; Y197-K263 HydrophobicContact CE1-CD 3.92Å; Y197-K263 HydrophobicContact CE1-CG 3.92Å; Y197-K263 WeakPolarHBondContact OH-CE 3.46Å; Y197-R351 CarbonylContact O-C 3.55Å; Y197-Y352 PolarHBondContact O-N 3.45Å |
| 198 | F | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 161.5 | -178.2 | -58.1 | -94 | 0 | 0 | 0 | 110.7 | E196 I262 V266 L269 L308 L349 R350 R351 | E196-F198 HydrophobicContact CB-CD2 4.39Å; E196-F198 HydrophobicContact CB-CE2 3.56Å; E196-F198 HydrophobicContact CB-CZ 3.9Å; E196-F198 VanDerWaalsContact OE2-CZ 3.23Å; E196-F198 WeakPolarHBondContact OE2-CZ 3.36Å; F198-I262 HydrophobicContact CB-CB 4.36Å; F198-I262 PolarHBondContact N-O 3.34Å; F198-I262 PolarHBondContact O-N 3.03Å; F198-V266 HydrophobicContact CE1-CG2 4.03Å; F198-V266 HydrophobicContact CZ-CG2 3.92Å; F198-L269 HydrophobicContact CB-CD1 4.29Å; F198-L269 HydrophobicContact CD1-CD1 3.81Å; F198-L269 HydrophobicContact CD2-CD1 3.65Å; F198-L269 HydrophobicContact CE1-CD1 3.96Å; F198-L269 HydrophobicContact CE2-CD1 3.79Å; F198-L269 HydrophobicContact CG-CD1 3.66Å; F198-L269 HydrophobicContact CZ-CD1 3.95Å; F198-L308 HydrophobicContact CD1-CD2 3.83Å; F198-L308 HydrophobicContact CE1-CD2 3.77Å; F198-L349 HydrophobicContact CB-CD1 4.15Å; F198-R350 CarbonylContact C-O 3.44Å; F198-R350 VanDerWaalsContact CA-O 3.27Å; F198-R350 WeakPolarHBondContact CA-O 3.43Å; F198-R351 HydrophobicContact CD1-CG 3.83Å; F198-R351 HydrophobicContact CE1-CG 3.54Å; F198-R351 HydrophobicContact CZ-CG 4.31Å |
| 199 | M | 92.1 | Very high | 86.1 | Confident | 20 Ų | 20 | 41 Ų | 41 | 10% | 0.099 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 120.6 | 173 | -175.5 | -171.7 | 130.6 | 0 | 0 | 107.5 | T201 T259 F260 Y261 R350 | M199-T201 WeakPolarHBondContact CE-OG1 3.22Å; M199-T259 HydrophobicContact CE-CG2 3.77Å; M199-T259 HydrophobicContact CG-CG2 3.47Å; M199-T259 VanDerWaalsContact CG-CG2 3.47Å; M199-T259 HydrophobicContact SD-CG2 4.01Å; M199-F260 WeakPolarHBondContact CA-O 3.42Å; M199-Y261 HydrophobicContact CG-CE1 4.43Å; M199-R350 HydrophobicContact CB-CG 4.2Å; M199-R350 PolarHBondContact N-O 3Å; M199-R350 PolarHBondContact O-N 3.23Å; M199-R350 PolarHBondContact SD-NH2 2.97Å |
| 200 | L | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.6 | 172.1 | -172.7 | 87.3 | 0 | 0 | 0 | 108.9 | L235 F236 T259 F260 I262 F273 L300 I347 T348 L349 | L200-L235 HydrophobicContact CD2-CD2 3.73Å; L200-F236 HydrophobicContact CD2-CE2 3.66Å; L200-F236 HydrophobicContact CD2-CZ 3.81Å; L200-T259 CarbonylContact O-C 3.59Å; L200-T259 WeakPolarHBondContact O-CA 3.47Å; L200-F260 PolarHBondContact N-O 3.39Å; L200-F260 PolarHBondContact O-N 3.07Å; L200-I262 HydrophobicContact CB-CD1 3.77Å; L200-F273 HydrophobicContact CD1-CZ 4.1Å; L200-L300 HydrophobicContact CD1-CD2 3.68Å; L200-I347 HydrophobicContact CD1-CG2 3.82Å; L200-I347 HydrophobicContact CD2-CG2 4.46Å; L200-I347 HydrophobicContact CG-CG2 4.23Å; L200-T348 CarbonylContact C-O 3.56Å; L200-T348 VanDerWaalsContact CA-O 3.28Å; L200-T348 WeakPolarHBondContact CA-O 3.49Å; L200-T348 WeakPolarHBondContact CD1-O 3.43Å; L200-L349 HydrophobicContact CB-CD1 4.13Å; L200-L349 HydrophobicContact CD1-CB 3.83Å; L200-L349 HydrophobicContact CD1-CD1 3.76Å; L200-L349 HydrophobicContact CD1-CG 4.35Å |
| 201 | T | 92.3 | Very high | 86.4 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.6 | 175.8 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | M199 E257 Q258 T259 I347 T348 | M199-T201 WeakPolarHBondContact CE-OG1 3.22Å; T201-E257 HydrophobicContact CG2-CB 3.64Å; T201-E257 HydrophobicContact CG2-CG 3.85Å; T201-Q258 WeakPolarHBondContact CA-O 3.48Å; T201-T259 WeakPolarHBondContact CG2-OG1 3.43Å; T201-T259 PolarHBondContact OG1-OG1 2.93Å; T201-I347 WeakPolarHBondContact O-CA 3.32Å; T201-T348 PolarHBondContact N-O 3.32Å; T201-T348 PolarHBondContact O-N 3.41Å |
| 202 | F | 93.6 | Very high | 87 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.7 | 176.3 | 178.4 | -78 | 0 | 0 | 0 | 110 | F204 C233 I240 Q258 L279 I281 I345 I347 | F202-F204 HydrophobicContact CE1-CD1 4.25Å; F202-F204 HydrophobicContact CE1-CD2 4.02Å; F202-F204 AromaticContact CE1-CE1 4Å; F202-F204 HydrophobicContact CE1-CE1 4Å; F202-F204 AromaticContact CE1-CE2 3.76Å; F202-F204 HydrophobicContact CE1-CE2 3.76Å; F202-F204 HydrophobicContact CE1-CG 4.26Å; F202-F204 AromaticContact CE1-CZ 3.75Å; F202-F204 HydrophobicContact CE1-CZ 3.75Å; F202-F204 HydrophobicContact CZ-CD1 4.38Å; F202-F204 AromaticContact CZ-CE1 3.94Å; F202-F204 HydrophobicContact CZ-CE1 3.94Å; F202-F204 HydrophobicContact CZ-CE2 4.46Å; F202-F204 AromaticContact CZ-CZ 3.99Å; F202-F204 HydrophobicContact CZ-CZ 3.99Å; F202-C233 HydrophobicContact CE1-CB 4.42Å; F202-C233 HydrophobicContact CE2-CB 4.47Å; F202-C233 HydrophobicContact CZ-CB 3.91Å; F202-I240 HydrophobicContact CB-CD1 3.97Å; F202-I240 HydrophobicContact CD1-CD1 3.62Å; F202-I240 HydrophobicContact CD1-CG2 4.01Å; F202-I240 HydrophobicContact CD2-CD1 4.37Å; F202-I240 HydrophobicContact CE1-CD1 4.22Å; F202-I240 HydrophobicContact CE1-CG2 4.2Å; F202-I240 HydrophobicContact CG-CD1 3.73Å; F202-Q258 PolarHBondContact N-O 3.4Å; F202-Q258 PolarHBondContact O-N 2.88Å; F202-L279 HydrophobicContact CE2-CD2 4.26Å; F202-I281 HydrophobicContact CZ-CD1 4.25Å; F202-I345 HydrophobicContact CE2-CD1 4.49Å; F202-I345 HydrophobicContact CZ-CG2 4.22Å; F202-I347 HydrophobicContact CD2-CD1 3.81Å; F202-I347 HydrophobicContact CD2-CG1 3.75Å; F202-I347 HydrophobicContact CE2-CD1 4.04Å; F202-I347 HydrophobicContact CE2-CG1 4.21Å |
| 203 | Q | 92 | Very high | 87.6 | Confident | 32 Ų | 32 | 35 Ų | 35 | 15% | 0.15 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138.4 | 178.1 | 179.8 | -176.3 | -9.5 | 0 | 0 | 111.3 | E205 E257 I345 N346 | Q203-E205 HydrophobicContact CG-CG 4.45Å; Q203-E257 HydrophobicContact CB-CG 4.37Å; Q203-E257 HydrophobicContact CG-CG 4.5Å; Q203-I345 WeakPolarHBondContact O-CA 3.48Å; Q203-N346 HydrophobicContact CB-CB 4.49Å; Q203-N346 PolarHBondContact N-O 2.96Å; Q203-N346 PolarHBondContact O-N 2.88Å |
| 204 | F | 91.8 | Very high | 87.7 | Confident | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.3 | 159.9 | -61.2 | -74.9 | 0 | 0 | 0 | 108.8 | F202 F231 C233 I240 F253 I281 V343 I345 | F202-F204 HydrophobicContact CE1-CD1 4.25Å; F202-F204 HydrophobicContact CE1-CD2 4.02Å; F202-F204 AromaticContact CE1-CE1 4Å; F202-F204 HydrophobicContact CE1-CE1 4Å; F202-F204 AromaticContact CE1-CE2 3.76Å; F202-F204 HydrophobicContact CE1-CE2 3.76Å; F202-F204 HydrophobicContact CE1-CG 4.26Å; F202-F204 AromaticContact CE1-CZ 3.75Å; F202-F204 HydrophobicContact CE1-CZ 3.75Å; F202-F204 HydrophobicContact CZ-CD1 4.38Å; F202-F204 AromaticContact CZ-CE1 3.94Å; F202-F204 HydrophobicContact CZ-CE1 3.94Å; F202-F204 HydrophobicContact CZ-CE2 4.46Å; F202-F204 AromaticContact CZ-CZ 3.99Å; F202-F204 HydrophobicContact CZ-CZ 3.99Å; F204-F231 HydrophobicContact CD1-CB 4.13Å; F204-F231 HydrophobicContact CE1-CB 3.61Å; F204-F231 HydrophobicContact CE1-CG 4.37Å; F204-F231 HydrophobicContact CE2-CB 4.34Å; F204-F231 HydrophobicContact CZ-CB 3.73Å; F204-C233 HydrophobicContact CZ-CB 4.11Å; F204-I240 HydrophobicContact CE2-CG2 4.29Å; F204-F253 HydrophobicContact CB-CB 4.46Å; F204-F253 HydrophobicContact CB-CD2 3.61Å; F204-F253 HydrophobicContact CB-CE2 4.05Å; F204-F253 HydrophobicContact CB-CG 3.98Å; F204-F253 WeakPolarHBondContact O-CB 3.34Å; F204-I281 HydrophobicContact CE1-CD1 4.27Å; F204-I281 HydrophobicContact CE1-CG2 3.96Å; F204-V343 HydrophobicContact CD1-CG2 4.25Å; F204-I345 HydrophobicContact CD1-CG2 3.87Å; F204-I345 HydrophobicContact CE1-CG2 4.31Å |
| 205 | E | 90.2 | Very high | 87 | Confident | 48 Ų | 48 | 35.8 Ų | 35.8 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -64.6 | -178.5 | -68.3 | -168.3 | 158.8 | 0 | 0 | 111.9 | Q203 F253 N315 N344 N346 | Q203-E205 HydrophobicContact CG-CG 4.45Å; E205-F253 WeakPolarHBondContact O-CD2 3Å; E205-F253 PolarHBondContact O-N 3.42Å; E205-N315 PolarHBondContact OE1-ND2 3.38Å; E205-N315 PolarHBondContact OE2-ND2 3.09Å; E205-N344 HydrophobicContact CB-CB 4.21Å; E205-N344 PolarHBondContact N-O 2.7Å; E205-N346 HydrophobicContact CG-CB 3.99Å; E205-N346 VanDerWaalsContact OE1-CB 3.3Å; E205-N346 WeakPolarHBondContact OE1-CB 3.46Å; E205-N346 PolarHBondContact OE1-ND2 2.87Å |
| 206 | E | 90.6 | Very high | 85.9 | Confident | 46 Ų | 46 | 37.6 Ų | 37.6 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 159.4 | 179.1 | -60.4 | -165.5 | -155.4 | 0 | 0 | 111 | F208 Q250 V251 K252 N344 | E206-F208 HydrophobicContact CB-CE2 3.62Å; E206-F208 HydrophobicContact CB-CZ 3.59Å; E206-F208 HydrophobicContact CG-CZ 4.39Å; E206-F208 WeakPolarHBondContact OE2-CZ 3.4Å; E206-Q250 PolarHBondContact OE2-NE2 3.42Å; E206-V251 CarbonylContact C-O 3.5Å; E206-V251 WeakPolarHBondContact CA-O 3.45Å; E206-V251 WeakPolarHBondContact CB-O 3.35Å; E206-K252 HydrophobicContact CG-CB 4.39Å; E206-K252 HydrophobicContact CG-CG 3.97Å; E206-K252 IonicContact OE1-NZ 3.13Å; E206-K252 PolarHBondContact OE1-NZ 3.11Å; E206-K252 IonicContact OE2-NZ 2.62Å; E206-K252 PolarHBondContact OE2-NZ 2.93Å; E206-N344 WeakPolarHBondContact O-CB 3.49Å; E206-N344 PolarHBondContact O-N 2.63Å |
| 207 | A | 91.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 153.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L210 F231 Q250 V251 F253 R342 V343 | A207-L210 HydrophobicContact CB-CD1 3.97Å; A207-L210 HydrophobicContact CB-CD2 4.37Å; A207-L210 HydrophobicContact CB-CG 4.46Å; A207-F231 HydrophobicContact CB-CE2 3.57Å; A207-F231 HydrophobicContact CB-CZ 3.73Å; A207-Q250 CarbonylContact O-C 3.46Å; A207-Q250 WeakPolarHBondContact O-CA 3.31Å; A207-V251 HydrophobicContact CB-CB 4.33Å; A207-V251 PolarHBondContact N-O 2.91Å; A207-V251 PolarHBondContact O-N 3.45Å; A207-F253 HydrophobicContact CB-CE2 4.06Å; A207-F253 HydrophobicContact CB-CZ 4.3Å; A207-R342 CarbonylContact C-O 3.59Å; A207-R342 VanDerWaalsContact CA-O 3.27Å; A207-R342 WeakPolarHBondContact CA-O 3.37Å; A207-R342 WeakPolarHBondContact CB-O 3.27Å; A207-V343 HydrophobicContact CB-CB 4.49Å; A207-V343 HydrophobicContact CB-CG2 4.45Å |
| 208 | F | 90.1 | Very high | 82.2 | Confident | 58 Ų | 58 | 48 Ų | 48 | 25% | 0.254 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 149.3 | -166.4 | -53.5 | -93.9 | 0 | 0 | 0 | 112.2 | E206 L210 M249 Q250 P341 R342 | E206-F208 HydrophobicContact CB-CE2 3.62Å; E206-F208 HydrophobicContact CB-CZ 3.59Å; E206-F208 HydrophobicContact CG-CZ 4.39Å; E206-F208 WeakPolarHBondContact OE2-CZ 3.4Å; F208-L210 PolarHBondContact O-N 2.99Å; F208-M249 WeakPolarHBondContact CA-O 3.45Å; F208-Q250 HydrophobicContact CD1-CB 4.35Å; F208-Q250 HydrophobicContact CD1-CG 3.91Å; F208-Q250 HydrophobicContact CE1-CG 3.82Å; F208-P341 WeakPolarHBondContact O-CA 3.2Å; F208-R342 PolarHBondContact N-O 3.47Å; F208-R342 PolarHBondContact O-N 3.15Å |
| 209 | K | 85.6 | Confident | 80.1 | Confident | 66 Ų | 66 | 53 Ų | 53 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | trans | 57.5 | 29.2 | 171.5 | -60.8 | -175.1 | 175.5 | -177.9 | 0 | 115 | E211 S212 M249 E338 D339 | K209-E211 WeakPolarHBondContact CA-OE1 3.33Å; K209-E211 VanDerWaalsContact CA-OE2 3.27Å; K209-E211 WeakPolarHBondContact CA-OE2 3.5Å; K209-E211 PolarHBondContact O-N 3.43Å; K209-S212 PolarHBondContact O-N 2.95Å; K209-S212 PolarHBondContact O-OG 2.93Å; K209-M249 PolarHBondContact N-O 2.94Å; K209-E338 PolarHBondContact NZ-O 2.81Å; K209-D339 IonicContact NZ-OD1 2.68Å; K209-D339 PolarHBondContact NZ-OD1 3.12Å | ||
| 210 | L | 87.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -69.8 | -17.2 | -173.5 | -53.8 | 179.6 | 0 | 0 | 0 | 113 | A207 F208 S212 L213 I214 F231 F245 L248 V251 F283 L320 P341 | A207-L210 HydrophobicContact CB-CD1 3.97Å; A207-L210 HydrophobicContact CB-CD2 4.37Å; A207-L210 HydrophobicContact CB-CG 4.46Å; F208-L210 PolarHBondContact O-N 2.99Å; L210-S212 PolarHBondContact O-N 3.36Å; L210-S212 VanDerWaalsContact O-N 3.16Å; L210-L213 HydrophobicContact CD2-CD1 4.29Å; L210-L213 WeakPolarHBondContact O-CB 3.2Å; L210-L213 PolarHBondContact O-N 3.2Å; L210-I214 WeakPolarHBondContact O-CD1 3.48Å; L210-F231 HydrophobicContact CD1-CE2 4.05Å; L210-F231 HydrophobicContact CD1-CZ 3.99Å; L210-F231 HydrophobicContact CD2-CZ 4.02Å; L210-F245 HydrophobicContact CD1-CE2 3.75Å; L210-F245 HydrophobicContact CD1-CZ 3.94Å; L210-L248 HydrophobicContact CB-CB 4.17Å; L210-L248 HydrophobicContact CB-CD2 3.89Å; L210-L248 WeakPolarHBondContact CB-O 3.26Å; L210-L248 PolarHBondContact N-O 2.63Å; L210-V251 HydrophobicContact CD1-CG2 4.05Å; L210-F283 HydrophobicContact CB-CE1 4.44Å; L210-F283 HydrophobicContact CB-CZ 4.12Å; L210-F283 HydrophobicContact CD1-CD2 4.5Å; L210-F283 HydrophobicContact CD1-CE2 3.92Å; L210-F283 HydrophobicContact CD1-CZ 4.19Å; L210-L320 HydrophobicContact CD2-CD1 3.46Å; L210-L320 VanDerWaalsContact CD2-CD1 3.46Å; L210-P341 HydrophobicContact CD2-CB 4.47Å |
| 211 | E | 82.9 | Confident | 75.5 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -58.4 | -22.9 | 174.2 | 65.5 | -77 | 177.4 | 0 | 0 | 113.3 | K209 L213 L248 M249 | K209-E211 WeakPolarHBondContact CA-OE1 3.33Å; K209-E211 VanDerWaalsContact CA-OE2 3.27Å; K209-E211 WeakPolarHBondContact CA-OE2 3.5Å; K209-E211 PolarHBondContact O-N 3.43Å; E211-L213 PolarHBondContact O-N 3.02Å; E211-L248 HydrophobicContact CB-CB 4.18Å; E211-L248 VanDerWaalsContact OE2-C 3.3Å; E211-M249 HydrophobicContact CB-SD 4.49Å; E211-M249 HydrophobicContact CG-CE 4.43Å; E211-M249 HydrophobicContact CG-SD 3.88Å; E211-M249 WeakPolarHBondContact OE1-CE 3.45Å; E211-M249 VanDerWaalsContact OE2-CA 3.23Å; E211-M249 WeakPolarHBondContact OE2-CA 3.48Å; E211-M249 PolarHBondContact OE2-N 2.89Å |
| 212 | S | 82 | Confident | 72.9 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -72.5 | -9.2 | 173.2 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | K209 L210 P341 | K209-S212 PolarHBondContact O-N 2.95Å; K209-S212 PolarHBondContact O-OG 2.93Å; L210-S212 PolarHBondContact O-N 3.36Å; L210-S212 VanDerWaalsContact O-N 3.16Å; S212-P341 WeakPolarHBondContact OG-CD 3.41Å; S212-P341 WeakPolarHBondContact OG-CG 3.37Å |
| 213 | L | 81.8 | Confident | 70.3 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -108.3 | 0.9 | -174.3 | -63.4 | 173.7 | 0 | 0 | 0 | 114.4 | L210 E211 F283 A291 L320 P341 | L210-L213 HydrophobicContact CD2-CD1 4.29Å; L210-L213 WeakPolarHBondContact O-CB 3.2Å; L210-L213 PolarHBondContact O-N 3.2Å; E211-L213 PolarHBondContact O-N 3.02Å; L213-F283 HydrophobicContact CB-CD1 4.28Å; L213-F283 HydrophobicContact CB-CE1 4.04Å; L213-F283 HydrophobicContact CD1-CD1 3.83Å; L213-F283 HydrophobicContact CD1-CE1 4.15Å; L213-A291 HydrophobicContact CD1-CB 3.65Å; L213-A291 HydrophobicContact CD2-CB 3.92Å; L213-A291 HydrophobicContact CG-CB 4.3Å; L213-L320 HydrophobicContact CD1-CB 3.89Å; L213-L320 HydrophobicContact CD1-CD1 3.99Å; L213-P341 HydrophobicContact CD1-CB 3.6Å; L213-P341 HydrophobicContact CD1-CG 3.89Å; L213-P341 HydrophobicContact CD2-CB 4.35Å; L213-P341 HydrophobicContact CD2-CG 3.74Å; L213-P341 HydrophobicContact CG-CB 3.83Å; L213-P341 HydrophobicContact CG-CG 3.77Å |
| 214 | I | 77 | Confident | 67.6 | Low | 37 Ų | 37 | 77.3 Ų | 77.3 | 19% | 0.19 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -101 | 122.6 | 176.2 | 4.1 | -77.1 | 0 | 0 | 0 | 108.4 | L210 I216 L220 F229 L248 F283 | L210-I214 WeakPolarHBondContact O-CD1 3.48Å; I214-I216 PolarHBondContact O-N 3.36Å; I214-L220 HydrophobicContact CB-CD1 4.5Å; I214-L220 HydrophobicContact CG2-CD1 4Å; I214-F229 HydrophobicContact CD1-CE1 3.9Å; I214-F229 HydrophobicContact CD1-CZ 4.15Å; I214-L248 HydrophobicContact CD1-CD1 3.67Å; I214-L248 HydrophobicContact CD1-CD2 3.89Å; I214-L248 HydrophobicContact CD1-CG 4.38Å; I214-L248 HydrophobicContact CG1-CD1 3.87Å; I214-F283 HydrophobicContact CD1-CE1 4.3Å; I214-F283 HydrophobicContact CD1-CZ 4.4Å |
| 215 | P | 64.8 | Low | 65.4 | Low | 37 Ų | 37 | 85.6 Ų | 85.6 | 24% | 0.24 | 47% | 0.47 | C | S | . | . | trans | -60.7 | 127 | 175.3 | -26.1 | 35.6 | 0 | 0 | 0 | 111.9 | E217 | P215-E217 PolarHBondContact O-N 3.28Å; P215-E217 VanDerWaalsContact O-N 3.15Å | ||
| 216 | I | 56.7 | Low | 63.6 | Low | 172 Ų | 172 | 91.5 Ų | 91.5 | 88% | 0.882 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.2 | -177.5 | -63.1 | 173.5 | 0 | 0 | 0 | 112.1 | I214 | I214-I216 PolarHBondContact O-N 3.36Š|
| 217 | E | 48.9 | Very low | 62 | Low | 189 Ų | 189 | 90.5 Ų | 90.5 | 88% | 0.883 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 3.1 | -167.4 | -56.5 | -171.3 | 156.4 | 0 | 0 | 114.6 | P215 | P215-E217 PolarHBondContact O-N 3.28Å; P215-E217 VanDerWaalsContact O-N 3.15Å |
| 218 | Q | 49 | Very low | 61.3 | Low | 129 Ų | 129 | 91.3 Ų | 91.3 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -114.5 | 126.5 | 177.2 | -64.6 | -170.5 | 33.6 | 0 | 0 | 112 | L220 | Q218-L220 PolarHBondContact O-N 2.85Å; Q218-L220 VanDerWaalsContact O-N 3.1Å |
| 219 | S | 47.8 | Very low | 61.2 | Low | 105 Ų | 105 | 89.4 Ų | 89.4 | 73% | 0.734 | 50% | 0.503 | S | S | * | . | trans | -72.7 | 102.5 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | C221 | S219-C221 PolarHBondContact O-N 3.39Š| ||
| 220 | L | 52.4 | Low | 61.4 | Low | 73 Ų | 73 | 87.3 Ų | 87.3 | 38% | 0.382 | 49% | 0.494 | S | S | . | . | trans | -70.1 | 43.3 | 173.2 | -63.3 | 173.2 | 0 | 0 | 0 | 113.2 | I214 Q218 F229 F285 | I214-L220 HydrophobicContact CB-CD1 4.5Å; I214-L220 HydrophobicContact CG2-CD1 4Å; Q218-L220 PolarHBondContact O-N 2.85Å; Q218-L220 VanDerWaalsContact O-N 3.1Å; L220-F229 HydrophobicContact CD1-CZ 4.16Å; L220-F285 HydrophobicContact CB-CE1 4.23Å; L220-F285 HydrophobicContact CB-CZ 4.09Å; L220-F285 HydrophobicContact CD2-CD1 3.86Å; L220-F285 HydrophobicContact CD2-CE1 3.83Å; L220-F285 HydrophobicContact CD2-CG 4.43Å; L220-F285 HydrophobicContact CD2-CZ 4.38Å | ||
| 221 | C | 37.1 | Very low | 61.7 | Low | 105 Ų | 105 | 87.3 Ų | 87.3 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | trans | -149.9 | 143.4 | -175 | -88.2 | 0 | 0 | 0 | 0 | 111.8 | S219 | S219-C221 PolarHBondContact O-N 3.39Š| ||
| 222 | S | 37.6 | Very low | 62.2 | Low | 131 Ų | 131 | 85 Ų | 85 | 92% | 0.916 | 49% | 0.485 | S | S | * | . | trans | 96.2 | 59.6 | 170.1 | 74.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 223 | G | 38 | Very low | 62.7 | Low | 66 Ų | 66 | 81.6 Ų | 81.6 | 68% | 0.68 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -157.4 | 147.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | H225 | G223-H225 PolarHBondContact O-N 3.36Š|
| 224 | E | 36.2 | Very low | 63.1 | Low | 195 Ų | 195 | 86.8 Ų | 86.8 | 91% | 0.911 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -70.2 | 83.1 | -170.3 | -63.8 | 179 | 131.3 | 0 | 0 | 113.8 | ||
| 225 | H | 46.6 | Very low | 63.7 | Low | 185 Ų | 185 | 85.1 Ų | 85.1 | 86% | 0.856 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -178.2 | 141.6 | 141.2 | -95.8 | -66.9 | 0 | 0 | 0 | 109.5 | G223 G227 | G223-H225 PolarHBondContact O-N 3.36Å; H225-G227 PolarHBondContact O-N 2.88Å |
| 226 | I | 51.6 | Low | 64.6 | Low | 172 Ų | 172 | 84.4 Ų | 84.4 | 88% | 0.882 | 47% | 0.47 | S | S | * | . | trans | -79.9 | 83.2 | -179.6 | -53.3 | 172.8 | 0 | 0 | 0 | 109.2 | ||||
| 227 | G | 56.8 | Low | 65.8 | Low | 25 Ų | 25 | 79 Ų | 79 | 26% | 0.258 | 46% | 0.456 | S | S | . | . | trans | -87.2 | 110.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H225 F285 | H225-G227 PolarHBondContact O-N 2.88Å; G227-F285 VanDerWaalsContact O-CE2 3.29Å; G227-F285 WeakPolarHBondContact O-CE2 3.45Å | ||
| 228 | G | 76.5 | Confident | 67.5 | Low | 16 Ų | 16 | 72.8 Ų | 72.8 | 17% | 0.165 | 43% | 0.429 | C | S | . | . | trans | -75.2 | 165.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q244 | G228-Q244 VanDerWaalsContact N-OE1 3.08Š| ||
| 229 | F | 88.5 | Confident | 69.4 | Low | 19 Ų | 19 | 69.3 Ų | 69.3 | 8% | 0.083 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 143.8 | 168.1 | -64.2 | -85.3 | 0 | 0 | 0 | 109.9 | I214 L220 Q244 F245 L248 F283 C284 F285 L290 | I214-F229 HydrophobicContact CD1-CE1 3.9Å; I214-F229 HydrophobicContact CD1-CZ 4.15Å; L220-F229 HydrophobicContact CD1-CZ 4.16Å; F229-Q244 CarbonylContact O-C 3.52Å; F229-Q244 VanDerWaalsContact O-CA 3.26Å; F229-Q244 WeakPolarHBondContact O-CA 3.49Å; F229-F245 HydrophobicContact CB-CD2 3.71Å; F229-F245 HydrophobicContact CB-CE2 3.46Å; F229-F245 VanDerWaalsContact CB-CE2 3.46Å; F229-F245 HydrophobicContact CB-CG 4.36Å; F229-F245 HydrophobicContact CB-CZ 3.92Å; F229-F245 WeakPolarHBondContact CB-O 3.36Å; F229-F245 HydrophobicContact CG-CE2 4.38Å; F229-F245 PolarHBondContact N-O 2.83Å; F229-F245 WeakPolarHBondContact O-CD1 3.37Å; F229-F245 PolarHBondContact O-N 3.34Å; F229-L248 HydrophobicContact CD1-CD2 4.2Å; F229-L248 HydrophobicContact CD2-CD2 3.98Å; F229-L248 HydrophobicContact CE1-CD2 4.25Å; F229-L248 HydrophobicContact CE2-CD1 4.16Å; F229-L248 HydrophobicContact CE2-CD2 4.03Å; F229-L248 HydrophobicContact CE2-CG 4.4Å; F229-L248 HydrophobicContact CG-CD2 4.07Å; F229-L248 HydrophobicContact CZ-CD1 4.17Å; F229-L248 HydrophobicContact CZ-CD2 4.17Å; F229-F283 HydrophobicContact CB-CE2 4.03Å; F229-F283 HydrophobicContact CB-CZ 4.42Å; F229-F283 HydrophobicContact CD1-CE1 4.46Å; F229-F283 AromaticContact CD1-CE2 3.97Å; F229-F283 HydrophobicContact CD1-CE2 3.97Å; F229-F283 AromaticContact CD1-CZ 3.57Å; F229-F283 HydrophobicContact CD1-CZ 3.57Å; F229-F283 HydrophobicContact CE1-CZ 4.19Å; F229-F283 HydrophobicContact CG-CE2 4.37Å; F229-F283 HydrophobicContact CG-CZ 4.28Å; F229-C284 CarbonylContact C-O 3.59Å; F229-C284 VanDerWaalsContact CA-O 3.29Å; F229-C284 WeakPolarHBondContact CA-O 3.32Å; F229-F285 HydrophobicContact CD1-CB 3.86Å; F229-F285 AromaticContact CD1-CD2 3.74Å; F229-F285 HydrophobicContact CD1-CD2 3.74Å; F229-F285 HydrophobicContact CD1-CG 4.26Å; F229-F285 HydrophobicContact CD2-CD2 4.1Å; F229-F285 HydrophobicContact CE1-CB 3.89Å; F229-F285 AromaticContact CE1-CD2 3.58Å; F229-F285 HydrophobicContact CE1-CD2 3.58Å; F229-F285 HydrophobicContact CE1-CE2 4.49Å; F229-F285 HydrophobicContact CE1-CG 4.06Å; F229-F285 AromaticContact CE2-CD2 3.95Å; F229-F285 HydrophobicContact CE2-CD2 3.95Å; F229-F285 HydrophobicContact CE2-CE2 4.21Å; F229-F285 HydrophobicContact CG-CD2 4Å; F229-F285 AromaticContact CZ-CD2 3.69Å; F229-F285 HydrophobicContact CZ-CD2 3.69Å; F229-F285 HydrophobicContact CZ-CE2 4.18Å; F229-F285 HydrophobicContact CZ-CG 4.49Å; F229-L290 HydrophobicContact CD1-CD1 4.13Å; F229-L290 HydrophobicContact CE1-CD1 3.84Å |
| 230 | H | 90.5 | Very high | 71.4 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 165.4 | 174.4 | 65.9 | -84 | 0 | 0 | 0 | 111.7 | Y241 S242 Q244 C284 G286 | H230-Y241 AromaticContact CD2-CD1 3.8Å; H230-Y241 AromaticContact NE2-CD1 3.88Å; H230-S242 WeakPolarHBondContact CA-OG 3.35Å; H230-Q244 HydrophobicContact CB-CG 4.31Å; H230-C284 PolarHBondContact N-O 3.39Å; H230-C284 PolarHBondContact O-N 2.93Å; H230-G286 PolarHBondContact CE1-O 3.5Å; H230-G286 VanDerWaalsContact CE1-O 3.3Å |
| 231 | F | 93.2 | Very high | 73.3 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 148.1 | 165.6 | -69.5 | -88.4 | 0 | 0 | 0 | 110.6 | F204 A207 L210 Y241 S242 F245 F253 I281 K282 F283 L320 V343 | F204-F231 HydrophobicContact CD1-CB 4.13Å; F204-F231 HydrophobicContact CE1-CB 3.61Å; F204-F231 HydrophobicContact CE1-CG 4.37Å; F204-F231 HydrophobicContact CE2-CB 4.34Å; F204-F231 HydrophobicContact CZ-CB 3.73Å; A207-F231 HydrophobicContact CB-CE2 3.57Å; A207-F231 HydrophobicContact CB-CZ 3.73Å; L210-F231 HydrophobicContact CD1-CE2 4.05Å; L210-F231 HydrophobicContact CD1-CZ 3.99Å; L210-F231 HydrophobicContact CD2-CZ 4.02Å; F231-Y241 CarbonylContact O-C 3.47Å; F231-Y241 WeakPolarHBondContact O-CA 3.43Å; F231-S242 PolarHBondContact N-OG 2.82Å; F231-S242 PolarHBondContact O-N 3.46Å; F231-F245 AromaticContact CD2-CE1 3.84Å; F231-F245 HydrophobicContact CD2-CE1 3.84Å; F231-F245 AromaticContact CD2-CZ 3.9Å; F231-F245 HydrophobicContact CD2-CZ 3.9Å; F231-F245 AromaticContact CE2-CE1 3.97Å; F231-F245 HydrophobicContact CE2-CE1 3.97Å; F231-F245 AromaticContact CE2-CZ 3.6Å; F231-F245 HydrophobicContact CE2-CZ 3.6Å; F231-F253 HydrophobicContact CD2-CE1 4.36Å; F231-F253 HydrophobicContact CD2-CE2 4.31Å; F231-F253 AromaticContact CD2-CZ 3.59Å; F231-F253 HydrophobicContact CD2-CZ 3.59Å; F231-F253 HydrophobicContact CE2-CE2 4.41Å; F231-F253 AromaticContact CE2-CZ 3.79Å; F231-F253 HydrophobicContact CE2-CZ 3.79Å; F231-I281 HydrophobicContact CB-CG2 4.43Å; F231-I281 HydrophobicContact CD1-CG2 3.82Å; F231-K282 CarbonylContact C-O 3.45Å; F231-K282 VanDerWaalsContact CA-O 3.27Å; F231-K282 WeakPolarHBondContact CA-O 3.43Å; F231-F283 HydrophobicContact CD1-CB 4.01Å; F231-F283 HydrophobicContact CD1-CD2 4.34Å; F231-F283 HydrophobicContact CE1-CB 3.65Å; F231-F283 AromaticContact CE1-CD2 3.9Å; F231-F283 HydrophobicContact CE1-CD2 3.9Å; F231-F283 HydrophobicContact CE1-CG 4.08Å; F231-F283 HydrophobicContact CE2-CD2 4.08Å; F231-F283 HydrophobicContact CZ-CB 4.33Å; F231-F283 AromaticContact CZ-CD2 3.75Å; F231-F283 HydrophobicContact CZ-CD2 3.75Å; F231-F283 HydrophobicContact CZ-CE2 4.47Å; F231-F283 HydrophobicContact CZ-CG 4.26Å; F231-L320 HydrophobicContact CE1-CD1 3.9Å; F231-L320 HydrophobicContact CE1-CD2 4.02Å; F231-L320 HydrophobicContact CZ-CD1 4.05Å; F231-V343 HydrophobicContact CD1-CG2 4.25Å; F231-V343 HydrophobicContact CE1-CB 3.95Å; F231-V343 HydrophobicContact CE1-CG1 4.43Å; F231-V343 HydrophobicContact CE1-CG2 4.07Å; F231-V343 HydrophobicContact CE2-CG2 4.48Å; F231-V343 HydrophobicContact CZ-CB 4.14Å; F231-V343 HydrophobicContact CZ-CG2 4.2Å |
| 232 | T | 93 | Very high | 75.8 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 13% | 0.129 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.9 | 169.6 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | I240 K282 | T232-I240 VanDerWaalsContact CA-O 3.23Å; T232-I240 WeakPolarHBondContact CA-O 3.43Å; T232-I240 PolarHBondContact OG1-O 2.82Å; T232-K282 HydrophobicContact CG2-CB 3.94Å; T232-K282 HydrophobicContact CG2-CD 4.42Å; T232-K282 PolarHBondContact N-O 3.24Å; T232-K282 PolarHBondContact O-N 2.73Å |
| 233 | C | 92.8 | Very high | 78.1 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 140.7 | -177.7 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | F202 F204 I240 I281 | F202-C233 HydrophobicContact CE1-CB 4.42Å; F202-C233 HydrophobicContact CE2-CB 4.47Å; F202-C233 HydrophobicContact CZ-CB 3.91Å; F204-C233 HydrophobicContact CZ-CB 4.11Å; C233-I240 PolarHBondContact N-O 2.88Å; C233-I240 PolarHBondContact O-N 2.93Å; C233-I281 HydrophobicContact CB-CG1 4.06Å |
| 234 | E | 90.7 | Very high | 80.4 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.8 | 179.3 | -166.9 | 178.3 | 155.4 | 0 | 0 | 110.8 | L279 | E234-L279 VanDerWaalsContact O-CD1 3.26Å; E234-L279 WeakPolarHBondContact O-CD1 3.4Å |
| 235 | L | 88.4 | Confident | 82.8 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 129.4 | -177.9 | -159.9 | 69.4 | 0 | 0 | 0 | 110.3 | L200 G237 I238 I240 F260 I276 L279 I297 | L200-L235 HydrophobicContact CD2-CD2 3.73Å; L235-G237 PolarHBondContact O-N 3.16Å; L235-I238 PolarHBondContact N-O 2.87Å; L235-I238 PolarHBondContact O-N 3.02Å; L235-I240 HydrophobicContact CB-CD1 4.07Å; L235-I240 HydrophobicContact CD2-CD1 4.43Å; L235-F260 HydrophobicContact CB-CZ 4.3Å; L235-F260 HydrophobicContact CD2-CD2 4.33Å; L235-F260 HydrophobicContact CD2-CE2 3.89Å; L235-F260 HydrophobicContact CD2-CZ 4.44Å; L235-I276 HydrophobicContact CD1-CD1 3.81Å; L235-L279 HydrophobicContact CD1-CD1 3.9Å; L235-L279 HydrophobicContact CD1-CD2 4.17Å; L235-I297 HydrophobicContact CD1-CD1 4.44Å |
| 236 | F | 84.5 | Confident | 84.4 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 27.8 | -172.2 | -48 | -74.4 | 0 | 0 | 0 | 114.3 | P157 Y186 I188 L200 I238 F260 I262 Y272 | P157-F236 HydrophobicContact CB-CD1 3.97Å; P157-F236 HydrophobicContact CG-CD1 3.7Å; P157-F236 HydrophobicContact CG-CE1 4.48Å; Y186-F236 HydrophobicContact CD1-CB 4.27Å; Y186-F236 HydrophobicContact CE1-CB 4.22Å; I188-F236 HydrophobicContact CD1-CD1 4.29Å; I188-F236 HydrophobicContact CD1-CE1 3.65Å; L200-F236 HydrophobicContact CD2-CE2 3.66Å; L200-F236 HydrophobicContact CD2-CZ 3.81Å; F236-I238 VanDerWaalsContact C-N 3.28Å; F236-I238 PolarHBondContact O-N 3.24Å; F236-F260 HydrophobicContact CB-CD1 4.43Å; F236-F260 HydrophobicContact CB-CE1 4.4Å; F236-F260 HydrophobicContact CD2-CB 4.04Å; F236-F260 AromaticContact CD2-CD1 3.37Å; F236-F260 HydrophobicContact CD2-CD1 3.37Å; F236-F260 AromaticContact CD2-CD2 3.97Å; F236-F260 HydrophobicContact CD2-CD2 3.97Å; F236-F260 AromaticContact CD2-CE1 3.66Å; F236-F260 HydrophobicContact CD2-CE1 3.66Å; F236-F260 HydrophobicContact CD2-CE2 4.23Å; F236-F260 AromaticContact CD2-CG 3.53Å; F236-F260 HydrophobicContact CD2-CG 3.53Å; F236-F260 HydrophobicContact CD2-CZ 4.08Å; F236-F260 HydrophobicContact CE2-CB 3.82Å; F236-F260 AromaticContact CE2-CD1 4Å; F236-F260 HydrophobicContact CE2-CD1 4Å; F236-F260 AromaticContact CE2-CD2 3.87Å; F236-F260 HydrophobicContact CE2-CD2 3.87Å; F236-F260 HydrophobicContact CE2-CE2 4.4Å; F236-F260 AromaticContact CE2-CG 3.63Å; F236-F260 HydrophobicContact CE2-CG 3.63Å; F236-F260 HydrophobicContact CG-CD1 4.23Å; F236-F260 HydrophobicContact CG-CE1 4.49Å; F236-I262 HydrophobicContact CE1-CD1 4.05Å; F236-I262 HydrophobicContact CE2-CD1 4.16Å; F236-I262 HydrophobicContact CZ-CD1 3.48Å; F236-I262 VanDerWaalsContact CZ-CD1 3.48Å; F236-I262 HydrophobicContact CZ-CG1 4.41Å; F236-Y272 HydrophobicContact CD1-CE1 4.26Å; F236-Y272 AromaticContact CD1-CZ 3.89Å; F236-Y272 WeakPolarHBondContact CD1-OH 3.49Å; F236-Y272 AromaticContact CE1-CE1 3.5Å; F236-Y272 HydrophobicContact CE1-CE1 3.5Å; F236-Y272 VanDerWaalsContact CE1-CE1 3.5Å; F236-Y272 AromaticContact CE1-CZ 3.61Å; F236-Y272 VanDerWaalsContact CE1-OH 3.29Å; F236-Y272 WeakPolarHBondContact CE1-OH 3.43Å; F236-Y272 HydrophobicContact CZ-CE1 4.15Å |
| 237 | G | 80.8 | Confident | 85.8 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 10.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L235 | L235-G237 PolarHBondContact O-N 3.16Š|
| 238 | I | 85.8 | Confident | 87 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 31% | 0.308 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.8 | 172.3 | -67.4 | -173.9 | 0 | 0 | 0 | 109.3 | Y186 L235 F236 I240 F260 | Y186-I238 VanDerWaalsContact OH-CD1 3.24Å; Y186-I238 WeakPolarHBondContact OH-CD1 3.49Å; L235-I238 PolarHBondContact N-O 2.87Å; L235-I238 PolarHBondContact O-N 3.02Å; F236-I238 VanDerWaalsContact C-N 3.28Å; F236-I238 PolarHBondContact O-N 3.24Å; I238-I240 PolarHBondContact O-N 3Å; I238-F260 HydrophobicContact CB-CE1 4.23Å; I238-F260 HydrophobicContact CD1-CE1 4.2Å |
| 239 | S | 88.6 | Confident | 87.1 | Confident | 55 Ų | 55 | 55.9 Ų | 55.9 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 108.7 | 167.5 | -46.3 | 0 | 0 | 0 | 0 | 109.7 | Y241 | S239-Y241 VanDerWaalsContact O-CD2 3.3Å; S239-Y241 WeakPolarHBondContact O-CD2 3.46Å; S239-Y241 VanDerWaalsContact O-CE2 3.26Å; S239-Y241 WeakPolarHBondContact O-CE2 3.49Å |
| 240 | I | 90.6 | Very high | 86.9 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 140.1 | 169.1 | -43.8 | -179.5 | 0 | 0 | 0 | 107.8 | F202 F204 T232 C233 L235 I238 Q258 F260 | F202-I240 HydrophobicContact CB-CD1 3.97Å; F202-I240 HydrophobicContact CD1-CD1 3.62Å; F202-I240 HydrophobicContact CD1-CG2 4.01Å; F202-I240 HydrophobicContact CD2-CD1 4.37Å; F202-I240 HydrophobicContact CE1-CD1 4.22Å; F202-I240 HydrophobicContact CE1-CG2 4.2Å; F202-I240 HydrophobicContact CG-CD1 3.73Å; F204-I240 HydrophobicContact CE2-CG2 4.29Å; T232-I240 VanDerWaalsContact CA-O 3.23Å; T232-I240 WeakPolarHBondContact CA-O 3.43Å; T232-I240 PolarHBondContact OG1-O 2.82Å; C233-I240 PolarHBondContact N-O 2.88Å; C233-I240 PolarHBondContact O-N 2.93Å; L235-I240 HydrophobicContact CB-CD1 4.07Å; L235-I240 HydrophobicContact CD2-CD1 4.43Å; I238-I240 PolarHBondContact O-N 3Å; I240-Q258 HydrophobicContact CD1-CB 4.22Å; I240-Q258 HydrophobicContact CD1-CG 4.07Å; I240-Q258 HydrophobicContact CG1-CG 4.16Å; I240-Q258 HydrophobicContact CG2-CB 4.02Å; I240-Q258 HydrophobicContact CG2-CG 4.36Å; I240-F260 HydrophobicContact CD1-CE2 3.87Å; I240-F260 HydrophobicContact CD1-CZ 3.89Å; I240-F260 HydrophobicContact CG1-CZ 4.25Å |
| 241 | Y | 90.7 | Very high | 86.6 | Confident | 132 Ų | 132 | 58.4 Ų | 58.4 | 52% | 0.518 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145 | 177.4 | -62.2 | -90.6 | 0 | 0 | 0 | 110.2 | H230 F231 S239 | H230-Y241 AromaticContact CD2-CD1 3.8Å; H230-Y241 AromaticContact NE2-CD1 3.88Å; F231-Y241 CarbonylContact O-C 3.47Å; F231-Y241 WeakPolarHBondContact O-CA 3.43Å; S239-Y241 VanDerWaalsContact O-CD2 3.3Å; S239-Y241 WeakPolarHBondContact O-CD2 3.46Å; S239-Y241 VanDerWaalsContact O-CE2 3.26Å; S239-Y241 WeakPolarHBondContact O-CE2 3.49Å |
| 242 | S | 89.7 | Confident | 86.3 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 163.8 | 161.2 | 77.4 | 0 | 0 | 0 | 0 | 110.2 | H230 F231 | H230-S242 WeakPolarHBondContact CA-OG 3.35Å; F231-S242 PolarHBondContact N-OG 2.82Å; F231-S242 PolarHBondContact O-N 3.46Å |
| 243 | N | 85.8 | Confident | 85.8 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 43% | 0.428 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 151 | 159 | -65.2 | -10.4 | 0 | 0 | 0 | 109.9 | F245 S254 | N243-F245 WeakPolarHBondContact O-CD1 3.39Å; N243-S254 PolarHBondContact ND2-OG 3.45Å |
| 244 | Q | 86.8 | Confident | 84.9 | Confident | 122 Ų | 122 | 67.3 Ų | 67.3 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 144.8 | 170.7 | -69.2 | -174.6 | 8.7 | 0 | 0 | 111.2 | G228 F229 H230 | G228-Q244 VanDerWaalsContact N-OE1 3.08Å; F229-Q244 CarbonylContact O-C 3.52Å; F229-Q244 VanDerWaalsContact O-CA 3.26Å; F229-Q244 WeakPolarHBondContact O-CA 3.49Å; H230-Q244 HydrophobicContact CB-CG 4.31Å |
| 245 | F | 86.5 | Confident | 83.8 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -141.1 | 167.2 | -179.8 | 55.5 | -92.8 | 0 | 0 | 0 | 112.3 | L210 F229 F231 N243 Q247 L248 V251 F253 F283 | L210-F245 HydrophobicContact CD1-CE2 3.75Å; L210-F245 HydrophobicContact CD1-CZ 3.94Å; F229-F245 HydrophobicContact CB-CD2 3.71Å; F229-F245 HydrophobicContact CB-CE2 3.46Å; F229-F245 VanDerWaalsContact CB-CE2 3.46Å; F229-F245 HydrophobicContact CB-CG 4.36Å; F229-F245 HydrophobicContact CB-CZ 3.92Å; F229-F245 WeakPolarHBondContact CB-O 3.36Å; F229-F245 HydrophobicContact CG-CE2 4.38Å; F229-F245 PolarHBondContact N-O 2.83Å; F229-F245 WeakPolarHBondContact O-CD1 3.37Å; F229-F245 PolarHBondContact O-N 3.34Å; F231-F245 AromaticContact CD2-CE1 3.84Å; F231-F245 HydrophobicContact CD2-CE1 3.84Å; F231-F245 AromaticContact CD2-CZ 3.9Å; F231-F245 HydrophobicContact CD2-CZ 3.9Å; F231-F245 AromaticContact CE2-CE1 3.97Å; F231-F245 HydrophobicContact CE2-CE1 3.97Å; F231-F245 AromaticContact CE2-CZ 3.6Å; F231-F245 HydrophobicContact CE2-CZ 3.6Å; N243-F245 WeakPolarHBondContact O-CD1 3.39Å; F245-Q247 VanDerWaalsContact CD2-O 3.28Å; F245-Q247 WeakPolarHBondContact CD2-O 3.42Å; F245-L248 HydrophobicContact CE2-CD2 4.4Å; F245-V251 HydrophobicContact CB-CG1 4.14Å; F245-V251 HydrophobicContact CD1-CG1 3.87Å; F245-V251 HydrophobicContact CD2-CG1 4.23Å; F245-V251 HydrophobicContact CD2-CG2 3.62Å; F245-V251 HydrophobicContact CE1-CG1 4.28Å; F245-V251 HydrophobicContact CE2-CG2 3.72Å; F245-V251 HydrophobicContact CG-CG1 3.83Å; F245-V251 HydrophobicContact CG-CG2 4.09Å; F245-V251 HydrophobicContact CZ-CG2 4.26Å; F245-F253 AromaticContact CD1-CE1 3.69Å; F245-F253 HydrophobicContact CD1-CE1 3.69Å; F245-F253 HydrophobicContact CD1-CZ 4.25Å; F245-F253 AromaticContact CE1-CE1 3.62Å; F245-F253 HydrophobicContact CE1-CE1 3.62Å; F245-F253 AromaticContact CE1-CZ 3.79Å; F245-F253 HydrophobicContact CE1-CZ 3.79Å; F245-F253 HydrophobicContact CZ-CZ 4.47Å; F245-F283 AromaticContact CE2-CE2 3.92Å; F245-F283 HydrophobicContact CE2-CE2 3.92Å; F245-F283 HydrophobicContact CZ-CD2 4.27Å; F245-F283 AromaticContact CZ-CE2 3.73Å; F245-F283 HydrophobicContact CZ-CE2 3.73Å |
| 246 | S | 80.7 | Confident | 82.8 | Confident | 103 Ų | 103 | 70 Ų | 70 | 72% | 0.72 | 38% | 0.381 | S | S | * | . | trans | -131.3 | -9.5 | 178.5 | 57 | 0 | 0 | 0 | 0 | 114 | ||||
| 247 | Q | 80.8 | Confident | 82.7 | Confident | 145 Ų | 145 | 74.3 Ų | 74.3 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | trans | -87.6 | 141 | 172 | -65 | 177.5 | -10 | 0 | 0 | 108.9 | F245 V251 | F245-Q247 VanDerWaalsContact CD2-O 3.28Å; F245-Q247 WeakPolarHBondContact CD2-O 3.42Å; Q247-V251 WeakPolarHBondContact O-CG2 3.36Å | ||
| 248 | L | 82.2 | Confident | 83 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | trans | -119.1 | -32.7 | -172 | -66.6 | 167.1 | 0 | 0 | 0 | 113.5 | L210 E211 I214 F229 F245 Q250 F283 | L210-L248 HydrophobicContact CB-CB 4.17Å; L210-L248 HydrophobicContact CB-CD2 3.89Å; L210-L248 WeakPolarHBondContact CB-O 3.26Å; L210-L248 PolarHBondContact N-O 2.63Å; E211-L248 HydrophobicContact CB-CB 4.18Å; E211-L248 VanDerWaalsContact OE2-C 3.3Å; I214-L248 HydrophobicContact CD1-CD1 3.67Å; I214-L248 HydrophobicContact CD1-CD2 3.89Å; I214-L248 HydrophobicContact CD1-CG 4.38Å; I214-L248 HydrophobicContact CG1-CD1 3.87Å; F229-L248 HydrophobicContact CD1-CD2 4.2Å; F229-L248 HydrophobicContact CD2-CD2 3.98Å; F229-L248 HydrophobicContact CE1-CD2 4.25Å; F229-L248 HydrophobicContact CE2-CD1 4.16Å; F229-L248 HydrophobicContact CE2-CD2 4.03Å; F229-L248 HydrophobicContact CE2-CG 4.4Å; F229-L248 HydrophobicContact CG-CD2 4.07Å; F229-L248 HydrophobicContact CZ-CD1 4.17Å; F229-L248 HydrophobicContact CZ-CD2 4.17Å; F245-L248 HydrophobicContact CE2-CD2 4.4Å; L248-Q250 PolarHBondContact O-N 3.06Å; L248-F283 HydrophobicContact CD2-CZ 4.07Å | ||
| 249 | M | 79.4 | Confident | 83.2 | Confident | 127 Ų | 127 | 73.8 Ų | 73.8 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -55.1 | -50.6 | 179 | -55.4 | -57.9 | -47.2 | 0 | 0 | 112.8 | F208 K209 E211 | F208-M249 WeakPolarHBondContact CA-O 3.45Å; K209-M249 PolarHBondContact N-O 2.94Å; E211-M249 HydrophobicContact CB-SD 4.49Å; E211-M249 HydrophobicContact CG-CE 4.43Å; E211-M249 HydrophobicContact CG-SD 3.88Å; E211-M249 WeakPolarHBondContact OE1-CE 3.45Å; E211-M249 VanDerWaalsContact OE2-CA 3.23Å; E211-M249 WeakPolarHBondContact OE2-CA 3.48Å; E211-M249 PolarHBondContact OE2-N 2.89Å |
| 250 | Q | 84 | Confident | 83.3 | Confident | 84 Ų | 84 | 71.3 Ų | 71.3 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 132.3 | 175.5 | -178.7 | 175.2 | 14.2 | 0 | 0 | 108.2 | E206 A207 F208 L248 | E206-Q250 PolarHBondContact OE2-NE2 3.42Å; A207-Q250 CarbonylContact O-C 3.46Å; A207-Q250 WeakPolarHBondContact O-CA 3.31Å; F208-Q250 HydrophobicContact CD1-CB 4.35Å; F208-Q250 HydrophobicContact CD1-CG 3.91Å; F208-Q250 HydrophobicContact CE1-CG 3.82Å; L248-Q250 PolarHBondContact O-N 3.06Å |
| 251 | V | 84.6 | Confident | 83.4 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.9 | 175 | -174.1 | 0 | 0 | 0 | 0 | 107.1 | E206 A207 L210 F245 Q247 F253 | E206-V251 CarbonylContact C-O 3.5Å; E206-V251 WeakPolarHBondContact CA-O 3.45Å; E206-V251 WeakPolarHBondContact CB-O 3.35Å; A207-V251 HydrophobicContact CB-CB 4.33Å; A207-V251 PolarHBondContact N-O 2.91Å; A207-V251 PolarHBondContact O-N 3.45Å; L210-V251 HydrophobicContact CD1-CG2 4.05Å; F245-V251 HydrophobicContact CB-CG1 4.14Å; F245-V251 HydrophobicContact CD1-CG1 3.87Å; F245-V251 HydrophobicContact CD2-CG1 4.23Å; F245-V251 HydrophobicContact CD2-CG2 3.62Å; F245-V251 HydrophobicContact CE1-CG1 4.28Å; F245-V251 HydrophobicContact CE2-CG2 3.72Å; F245-V251 HydrophobicContact CG-CG1 3.83Å; F245-V251 HydrophobicContact CG-CG2 4.09Å; F245-V251 HydrophobicContact CZ-CG2 4.26Å; Q247-V251 WeakPolarHBondContact O-CG2 3.36Å; V251-F253 HydrophobicContact CB-CZ 4.16Å; V251-F253 HydrophobicContact CG1-CD1 4.1Å; V251-F253 HydrophobicContact CG1-CE1 3.53Å; V251-F253 HydrophobicContact CG1-CE2 4.17Å; V251-F253 HydrophobicContact CG1-CZ 3.55Å |
| 252 | K | 85.2 | Confident | 83.5 | Confident | 134 Ų | 134 | 67.2 Ų | 67.2 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.5 | 166.2 | -59 | -165.5 | -176.4 | -84 | 0 | 108.1 | E206 | E206-K252 HydrophobicContact CG-CB 4.39Å; E206-K252 HydrophobicContact CG-CG 3.97Å; E206-K252 IonicContact OE1-NZ 3.13Å; E206-K252 PolarHBondContact OE1-NZ 3.11Å; E206-K252 IonicContact OE2-NZ 2.62Å; E206-K252 PolarHBondContact OE2-NZ 2.93Å |
| 253 | F | 83.6 | Confident | 83.5 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | trans | -81.3 | 151.6 | 176.6 | -60.2 | -71.2 | 0 | 0 | 0 | 109.9 | F204 E205 A207 F231 F245 V251 | F204-F253 HydrophobicContact CB-CB 4.46Å; F204-F253 HydrophobicContact CB-CD2 3.61Å; F204-F253 HydrophobicContact CB-CE2 4.05Å; F204-F253 HydrophobicContact CB-CG 3.98Å; F204-F253 WeakPolarHBondContact O-CB 3.34Å; E205-F253 WeakPolarHBondContact O-CD2 3Å; E205-F253 PolarHBondContact O-N 3.42Å; A207-F253 HydrophobicContact CB-CE2 4.06Å; A207-F253 HydrophobicContact CB-CZ 4.3Å; F231-F253 HydrophobicContact CD2-CE1 4.36Å; F231-F253 HydrophobicContact CD2-CE2 4.31Å; F231-F253 AromaticContact CD2-CZ 3.59Å; F231-F253 HydrophobicContact CD2-CZ 3.59Å; F231-F253 HydrophobicContact CE2-CE2 4.41Å; F231-F253 AromaticContact CE2-CZ 3.79Å; F231-F253 HydrophobicContact CE2-CZ 3.79Å; F245-F253 AromaticContact CD1-CE1 3.69Å; F245-F253 HydrophobicContact CD1-CE1 3.69Å; F245-F253 HydrophobicContact CD1-CZ 4.25Å; F245-F253 AromaticContact CE1-CE1 3.62Å; F245-F253 HydrophobicContact CE1-CE1 3.62Å; F245-F253 AromaticContact CE1-CZ 3.79Å; F245-F253 HydrophobicContact CE1-CZ 3.79Å; F245-F253 HydrophobicContact CZ-CZ 4.47Å; V251-F253 HydrophobicContact CB-CZ 4.16Å; V251-F253 HydrophobicContact CG1-CD1 4.1Å; V251-F253 HydrophobicContact CG1-CE1 3.53Å; V251-F253 HydrophobicContact CG1-CE2 4.17Å; V251-F253 HydrophobicContact CG1-CZ 3.55Å | ||
| 254 | S | 74.7 | Confident | 83.8 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | trans | -64.1 | 151.4 | 161.8 | 54.9 | 0 | 0 | 0 | 0 | 108.9 | N243 T256 | N243-S254 PolarHBondContact ND2-OG 3.45Å; S254-T256 PolarHBondContact O-N 3.14Å; S254-T256 PolarHBondContact OG-OG1 2.97Å | ||
| 255 | P | 66.3 | Low | 83.9 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | trans | -67.8 | 80.7 | 171.7 | 29 | -34.6 | 0 | 0 | 0 | 110.3 | ||||
| 256 | T | 68.1 | Low | 84 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | trans | -102.7 | 81 | 176 | -56.2 | 0 | 0 | 0 | 0 | 106.9 | S254 Q258 | S254-T256 PolarHBondContact O-N 3.14Å; S254-T256 PolarHBondContact OG-OG1 2.97Å; T256-Q258 PolarHBondContact O-N 3.35Å | ||
| 257 | E | 82.2 | Confident | 84.2 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | trans | -78.4 | 112.2 | -176.5 | -76.2 | 173.3 | -139.4 | 0 | 0 | 111.6 | T201 Q203 T259 | T201-E257 HydrophobicContact CG2-CB 3.64Å; T201-E257 HydrophobicContact CG2-CG 3.85Å; Q203-E257 HydrophobicContact CB-CG 4.37Å; Q203-E257 HydrophobicContact CG-CG 4.5Å; E257-T259 PolarHBondContact O-N 2.96Å | ||
| 258 | Q | 87.4 | Confident | 84.5 | Confident | 71 Ų | 71 | 48 Ų | 48 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 108.7 | 171.9 | -174.1 | 65.1 | 23.1 | 0 | 0 | 109.4 | T201 F202 I240 T256 F260 | T201-Q258 WeakPolarHBondContact CA-O 3.48Å; F202-Q258 PolarHBondContact N-O 3.4Å; F202-Q258 PolarHBondContact O-N 2.88Å; I240-Q258 HydrophobicContact CD1-CB 4.22Å; I240-Q258 HydrophobicContact CD1-CG 4.07Å; I240-Q258 HydrophobicContact CG1-CG 4.16Å; I240-Q258 HydrophobicContact CG2-CB 4.02Å; I240-Q258 HydrophobicContact CG2-CG 4.36Å; T256-Q258 PolarHBondContact O-N 3.35Å; Q258-F260 HydrophobicContact CB-CE2 4.31Å; Q258-F260 HydrophobicContact CG-CD2 4.39Å; Q258-F260 HydrophobicContact CG-CE1 4.42Å; Q258-F260 HydrophobicContact CG-CE2 3.53Å; Q258-F260 HydrophobicContact CG-CZ 3.56Å |
| 259 | T | 89.9 | Confident | 84.9 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130 | -177.4 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | M199 L200 T201 E257 Y261 | M199-T259 HydrophobicContact CE-CG2 3.77Å; M199-T259 HydrophobicContact CG-CG2 3.47Å; M199-T259 VanDerWaalsContact CG-CG2 3.47Å; M199-T259 HydrophobicContact SD-CG2 4.01Å; L200-T259 CarbonylContact O-C 3.59Å; L200-T259 WeakPolarHBondContact O-CA 3.47Å; T201-T259 WeakPolarHBondContact CG2-OG1 3.43Å; T201-T259 PolarHBondContact OG1-OG1 2.93Å; E257-T259 PolarHBondContact O-N 2.96Å; T259-Y261 HydrophobicContact CG2-CD2 4.3Å; T259-Y261 HydrophobicContact CG2-CE2 3.77Å |
| 260 | F | 91.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.8 | 177 | -56.8 | -92.7 | 0 | 0 | 0 | 110 | Y186 M199 L200 L235 F236 I238 I240 Q258 I262 | Y186-F260 HydrophobicContact CE2-CD1 4.06Å; M199-F260 WeakPolarHBondContact CA-O 3.42Å; L200-F260 PolarHBondContact N-O 3.39Å; L200-F260 PolarHBondContact O-N 3.07Å; L235-F260 HydrophobicContact CB-CZ 4.3Å; L235-F260 HydrophobicContact CD2-CD2 4.33Å; L235-F260 HydrophobicContact CD2-CE2 3.89Å; L235-F260 HydrophobicContact CD2-CZ 4.44Å; F236-F260 HydrophobicContact CB-CD1 4.43Å; F236-F260 HydrophobicContact CB-CE1 4.4Å; F236-F260 HydrophobicContact CD2-CB 4.04Å; F236-F260 AromaticContact CD2-CD1 3.37Å; F236-F260 HydrophobicContact CD2-CD1 3.37Å; F236-F260 AromaticContact CD2-CD2 3.97Å; F236-F260 HydrophobicContact CD2-CD2 3.97Å; F236-F260 AromaticContact CD2-CE1 3.66Å; F236-F260 HydrophobicContact CD2-CE1 3.66Å; F236-F260 HydrophobicContact CD2-CE2 4.23Å; F236-F260 AromaticContact CD2-CG 3.53Å; F236-F260 HydrophobicContact CD2-CG 3.53Å; F236-F260 HydrophobicContact CD2-CZ 4.08Å; F236-F260 HydrophobicContact CE2-CB 3.82Å; F236-F260 AromaticContact CE2-CD1 4Å; F236-F260 HydrophobicContact CE2-CD1 4Å; F236-F260 AromaticContact CE2-CD2 3.87Å; F236-F260 HydrophobicContact CE2-CD2 3.87Å; F236-F260 HydrophobicContact CE2-CE2 4.4Å; F236-F260 AromaticContact CE2-CG 3.63Å; F236-F260 HydrophobicContact CE2-CG 3.63Å; F236-F260 HydrophobicContact CG-CD1 4.23Å; F236-F260 HydrophobicContact CG-CE1 4.49Å; I238-F260 HydrophobicContact CB-CE1 4.23Å; I238-F260 HydrophobicContact CD1-CE1 4.2Å; I240-F260 HydrophobicContact CD1-CE2 3.87Å; I240-F260 HydrophobicContact CD1-CZ 3.89Å; I240-F260 HydrophobicContact CG1-CZ 4.25Å; Q258-F260 HydrophobicContact CB-CE2 4.31Å; Q258-F260 HydrophobicContact CG-CD2 4.39Å; Q258-F260 HydrophobicContact CG-CE1 4.42Å; Q258-F260 HydrophobicContact CG-CE2 3.53Å; Q258-F260 HydrophobicContact CG-CZ 3.56Å; F260-I262 HydrophobicContact CB-CG1 4.43Å |
| 261 | Y | 92.2 | Very high | 85.4 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.4 | 179.5 | -65.2 | -96.4 | 0 | 0 | 0 | 108.8 | I183 W185 Y186 M199 T259 Y352 | I183-Y261 HydrophobicContact CG2-CD1 3.96Å; I183-Y261 HydrophobicContact CG2-CD2 3.45Å; I183-Y261 VanDerWaalsContact CG2-CD2 3.45Å; I183-Y261 HydrophobicContact CG2-CE1 4.28Å; I183-Y261 HydrophobicContact CG2-CE2 3.8Å; I183-Y261 HydrophobicContact CG2-CG 3.52Å; W185-Y261 CarbonylContact C-O 3.55Å; W185-Y261 WeakPolarHBondContact CA-O 3.37Å; W185-Y261 AromaticContact CH2-CD1 3.98Å; W185-Y261 HydrophobicContact CH2-CD1 3.98Å; W185-Y261 AromaticContact CZ2-CD1 3.99Å; W185-Y261 HydrophobicContact CZ2-CD1 3.99Å; W185-Y261 HydrophobicContact CZ2-CG 4.45Å; W185-Y261 HydrophobicContact CZ3-CD1 4.47Å; Y186-Y261 PolarHBondContact N-O 2.9Å; M199-Y261 HydrophobicContact CG-CE1 4.43Å; T259-Y261 HydrophobicContact CG2-CD2 4.3Å; T259-Y261 HydrophobicContact CG2-CE2 3.77Å; Y261-Y352 HydrophobicContact CE1-CE2 4.27Å |
| 262 | I | 92 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.3 | -163.8 | -52.7 | 172.5 | 0 | 0 | 0 | 110.6 | Y186 I188 Y197 F198 L200 F236 F260 L269 | Y186-I262 CarbonylContact O-C 3.55Å; Y186-I262 VanDerWaalsContact O-CA 3.28Å; Y186-I262 WeakPolarHBondContact O-CA 3.41Å; I188-I262 HydrophobicContact CD1-CG2 3.62Å; I188-I262 HydrophobicContact CG1-CG2 3.95Å; Y197-I262 CarbonylContact C-O 3.54Å; Y197-I262 WeakPolarHBondContact CA-O 3.25Å; F198-I262 HydrophobicContact CB-CB 4.36Å; F198-I262 PolarHBondContact N-O 3.34Å; F198-I262 PolarHBondContact O-N 3.03Å; L200-I262 HydrophobicContact CB-CD1 3.77Å; F236-I262 HydrophobicContact CE1-CD1 4.05Å; F236-I262 HydrophobicContact CE2-CD1 4.16Å; F236-I262 HydrophobicContact CZ-CD1 3.48Å; F236-I262 VanDerWaalsContact CZ-CD1 3.48Å; F236-I262 HydrophobicContact CZ-CG1 4.41Å; F260-I262 HydrophobicContact CB-CG1 4.43Å; I262-L269 HydrophobicContact CG2-CD2 3.98Å |
| 263 | K | 90.8 | Very high | 86 | Confident | 24 Ų | 24 | 32.5 Ų | 32.5 | 10% | 0.104 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.7 | 171.3 | -167.4 | -176.3 | -173.9 | 179.8 | 0 | 109.1 | Y186 T187 I188 A194 E196 Y197 | Y186-K263 PolarHBondContact O-N 3.04Å; T187-K263 WeakPolarHBondContact CA-O 3.48Å; I188-K263 PolarHBondContact N-O 3.28Å; A194-K263 VanDerWaalsContact O-CE 3.27Å; A194-K263 WeakPolarHBondContact O-CE 3.29Å; A194-K263 WeakPolarHBondContact O-CG 3.37Å; E196-K263 CarbonylContact O-C 3.58Å; E196-K263 VanDerWaalsContact O-CA 3.29Å; E196-K263 WeakPolarHBondContact O-CA 3.49Å; Y197-K263 HydrophobicContact CD1-CB 4.4Å; Y197-K263 HydrophobicContact CD1-CG 4.19Å; Y197-K263 HydrophobicContact CE1-CB 4.42Å; Y197-K263 HydrophobicContact CE1-CD 3.92Å; Y197-K263 HydrophobicContact CE1-CG 3.92Å; Y197-K263 WeakPolarHBondContact OH-CE 3.46Å |
| 264 | S | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | -156.5 | -168.3 | -164.8 | 0 | 0 | 0 | 0 | 111.3 | A194 K195 E196 I268 L269 | A194-S264 CarbonylContact C-O 3.59Å; K195-S264 PolarHBondContact N-O 2.98Å; E196-S264 WeakPolarHBondContact CB-O 3.44Å; E196-S264 PolarHBondContact N-O 3.32Å; E196-S264 PolarHBondContact O-N 2.9Å; S264-I268 WeakPolarHBondContact OG-CB 3.45Å; S264-I268 VanDerWaalsContact OG-CG2 3.3Å; S264-I268 WeakPolarHBondContact OG-CG2 3.46Å; S264-L269 WeakPolarHBondContact OG-CD2 3.34Å; S264-L269 WeakPolarHBondContact OG-CG 3.41Å |
| 265 | T | 88.5 | Confident | 86.8 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 14% | 0.135 | 20% | 0.196 | C | C | . | . | trans | -137.5 | 166.4 | 157.8 | 66.2 | 0 | 0 | 0 | 0 | 109.5 | L193 D267 I268 L269 | L193-T265 WeakPolarHBondContact O-CG2 3.42Å; T265-D267 VanDerWaalsContact C-N 3.31Å; T265-D267 PolarHBondContact O-N 3.03Å; T265-I268 HydrophobicContact CG2-CD1 4.32Å; T265-I268 PolarHBondContact O-N 3.37Å; T265-I268 WeakPolarHBondContact OG1-CG1 3.47Å; T265-I268 PolarHBondContact OG1-N 2.82Å; T265-L269 WeakPolarHBondContact O-CG 3.19Å; T265-L269 PolarHBondContact O-N 2.93Å | ||
| 266 | V | 88.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.6 | -43.6 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | F198 L269 R270 I301 D305 H306 L308 | F198-V266 HydrophobicContact CE1-CG2 4.03Å; F198-V266 HydrophobicContact CZ-CG2 3.92Å; V266-L269 PolarHBondContact O-N 3.17Å; V266-R270 WeakPolarHBondContact O-CB 3.45Å; V266-R270 PolarHBondContact O-N 2.99Å; V266-I301 HydrophobicContact CG1-CD1 4.45Å; V266-I301 HydrophobicContact CG1-CG2 4.07Å; V266-D305 WeakPolarHBondContact CG1-O 3.3Å; V266-H306 WeakPolarHBondContact CB-O 3.4Å; V266-L308 HydrophobicContact CG1-CB 4.39Å; V266-L308 HydrophobicContact CG2-CB 3.79Å |
| 267 | D | 84.7 | Confident | 88.8 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 19% | 0.193 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 176.9 | -67.1 | -57.1 | 0 | 0 | 0 | 112.8 | L146 T265 L269 R270 I271 H306 | L146-D267 HydrophobicContact CD1-CB 3.76Å; T265-D267 VanDerWaalsContact C-N 3.31Å; T265-D267 PolarHBondContact O-N 3.03Å; D267-L269 VanDerWaalsContact C-N 3.32Å; D267-L269 PolarHBondContact O-N 2.88Å; D267-R270 WeakPolarHBondContact O-CB 3.34Å; D267-R270 PolarHBondContact O-N 3.26Å; D267-I271 VanDerWaalsContact O-CD1 3.25Å; D267-I271 WeakPolarHBondContact O-CD1 3.47Å; D267-I271 WeakPolarHBondContact O-CG1 3.27Å; D267-I271 PolarHBondContact O-N 3.48Å; D267-H306 IonicContact OD1-ND1 2.7Å |
| 268 | I | 87.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 176.9 | -64.3 | 170.7 | 0 | 0 | 0 | 110.5 | L150 I188 L193 S264 T265 I271 Y272 | L150-I268 HydrophobicContact CD1-CG1 4.17Å; L150-I268 HydrophobicContact CD1-CG2 4.41Å; I188-I268 HydrophobicContact CG2-CG2 4.03Å; L193-I268 HydrophobicContact CB-CD1 3.77Å; S264-I268 WeakPolarHBondContact OG-CB 3.45Å; S264-I268 VanDerWaalsContact OG-CG2 3.3Å; S264-I268 WeakPolarHBondContact OG-CG2 3.46Å; T265-I268 HydrophobicContact CG2-CD1 4.32Å; T265-I268 PolarHBondContact O-N 3.37Å; T265-I268 WeakPolarHBondContact OG1-CG1 3.47Å; T265-I268 PolarHBondContact OG1-N 2.82Å; I268-I271 PolarHBondContact O-N 2.81Å; I268-Y272 WeakPolarHBondContact O-CB 3.31Å; I268-Y272 PolarHBondContact O-N 2.98Å |
| 269 | L | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 173.4 | -69 | -179.1 | 0 | 0 | 0 | 112 | I188 F198 I262 S264 T265 V266 D267 I271 Y272 F273 I301 L349 | I188-L269 HydrophobicContact CD1-CD2 4.04Å; F198-L269 HydrophobicContact CB-CD1 4.29Å; F198-L269 HydrophobicContact CD1-CD1 3.81Å; F198-L269 HydrophobicContact CD2-CD1 3.65Å; F198-L269 HydrophobicContact CE1-CD1 3.96Å; F198-L269 HydrophobicContact CE2-CD1 3.79Å; F198-L269 HydrophobicContact CG-CD1 3.66Å; F198-L269 HydrophobicContact CZ-CD1 3.95Å; I262-L269 HydrophobicContact CG2-CD2 3.98Å; S264-L269 WeakPolarHBondContact OG-CD2 3.34Å; S264-L269 WeakPolarHBondContact OG-CG 3.41Å; T265-L269 WeakPolarHBondContact O-CG 3.19Å; T265-L269 PolarHBondContact O-N 2.93Å; V266-L269 PolarHBondContact O-N 3.17Å; D267-L269 VanDerWaalsContact C-N 3.32Å; D267-L269 PolarHBondContact O-N 2.88Å; L269-I271 VanDerWaalsContact C-N 3.31Å; L269-I271 PolarHBondContact O-N 3.47Å; L269-Y272 PolarHBondContact O-N 3.41Å; L269-F273 HydrophobicContact CB-CD2 4.32Å; L269-F273 HydrophobicContact CB-CE2 3.91Å; L269-F273 WeakPolarHBondContact O-CD2 3.42Å; L269-F273 WeakPolarHBondContact O-CG 3.42Å; L269-F273 PolarHBondContact O-N 3.47Å; L269-I301 HydrophobicContact CB-CD1 3.85Å; L269-L349 HydrophobicContact CD1-CD1 4.12Å; L269-L349 HydrophobicContact CD1-CD2 4.06Å |
| 270 | R | 89.1 | Confident | 89.6 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 12% | 0.117 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.3 | -45.5 | 174.7 | -176.7 | -171.6 | -60.3 | -72.1 | 7.5 | 111.3 | V266 D267 V274 I301 P302 L303 D305 | V266-R270 WeakPolarHBondContact O-CB 3.45Å; V266-R270 PolarHBondContact O-N 2.99Å; D267-R270 WeakPolarHBondContact O-CB 3.34Å; D267-R270 PolarHBondContact O-N 3.26Å; R270-V274 WeakPolarHBondContact O-CG2 3.41Å; R270-V274 PolarHBondContact O-N 3.27Å; R270-V274 VanDerWaalsContact O-N 3.08Å; R270-I301 HydrophobicContact CB-CD1 4.44Å; R270-I301 PolarHBondContact NH1-O 2.89Å; R270-P302 PolarHBondContact NH1-O 3.49Å; R270-P302 PolarHBondContact NH2-O 3.38Å; R270-L303 PolarHBondContact NH2-O 3.5Å; R270-D305 PolarHBondContact NH2-O 2.96Å |
| 271 | I | 85.8 | Confident | 89.7 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -43.2 | 178 | -62.9 | 157.5 | 0 | 0 | 0 | 111 | L146 A147 L150 L155 D267 I268 L269 V274 H275 | L146-I271 HydrophobicContact CB-CD1 4.02Å; A147-I271 HydrophobicContact CB-CD1 3.52Å; A147-I271 HydrophobicContact CB-CG1 3.58Å; A147-I271 HydrophobicContact CB-CG2 4.26Å; L150-I271 HydrophobicContact CD1-CD1 4.06Å; L155-I271 HydrophobicContact CD1-CG2 3.86Å; L155-I271 HydrophobicContact CD2-CB 4.43Å; L155-I271 HydrophobicContact CD2-CG2 3.81Å; L155-I271 HydrophobicContact CG-CG2 4.49Å; D267-I271 VanDerWaalsContact O-CD1 3.25Å; D267-I271 WeakPolarHBondContact O-CD1 3.47Å; D267-I271 WeakPolarHBondContact O-CG1 3.27Å; D267-I271 PolarHBondContact O-N 3.48Å; I268-I271 PolarHBondContact O-N 2.81Å; L269-I271 VanDerWaalsContact C-N 3.31Å; L269-I271 PolarHBondContact O-N 3.47Å; I271-V274 PolarHBondContact O-N 2.89Å; I271-H275 WeakPolarHBondContact O-CB 3.41Å; I271-H275 PolarHBondContact O-N 3.28Å |
| 272 | Y | 90.3 | Very high | 89.8 | Confident | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.2 | 173 | -99 | 0 | 0 | 0 | 112.2 | L155 P157 I188 F236 I268 L269 V274 H275 I276 | L155-Y272 WeakPolarHBondContact O-CD2 2.91Å; P157-Y272 HydrophobicContact CG-CE2 3.62Å; I188-Y272 HydrophobicContact CD1-CD1 4.18Å; I188-Y272 HydrophobicContact CD1-CD2 4.48Å; I188-Y272 HydrophobicContact CD1-CE1 4.23Å; I188-Y272 HydrophobicContact CD1-CG 4.31Å; I188-Y272 HydrophobicContact CG2-CD2 3.92Å; I188-Y272 HydrophobicContact CG2-CG 4.03Å; F236-Y272 HydrophobicContact CD1-CE1 4.26Å; F236-Y272 AromaticContact CD1-CZ 3.89Å; F236-Y272 WeakPolarHBondContact CD1-OH 3.49Å; F236-Y272 AromaticContact CE1-CE1 3.5Å; F236-Y272 HydrophobicContact CE1-CE1 3.5Å; F236-Y272 VanDerWaalsContact CE1-CE1 3.5Å; F236-Y272 AromaticContact CE1-CZ 3.61Å; F236-Y272 VanDerWaalsContact CE1-OH 3.29Å; F236-Y272 WeakPolarHBondContact CE1-OH 3.43Å; F236-Y272 HydrophobicContact CZ-CE1 4.15Å; I268-Y272 WeakPolarHBondContact O-CB 3.31Å; I268-Y272 PolarHBondContact O-N 2.98Å; L269-Y272 PolarHBondContact O-N 3.41Å; Y272-V274 PolarHBondContact O-N 2.86Å; Y272-H275 WeakPolarHBondContact O-CB 3.26Å; Y272-H275 PolarHBondContact O-N 3.31Å; Y272-I276 HydrophobicContact CD1-CD1 4.43Å; Y272-I276 HydrophobicContact CD2-CG2 4.35Å; Y272-I276 HydrophobicContact CE1-CD1 3.7Å; Y272-I276 HydrophobicContact CE1-CG1 4.18Å; Y272-I276 HydrophobicContact CE1-CG2 4.42Å; Y272-I276 HydrophobicContact CE2-CG2 3.84Å; Y272-I276 WeakPolarHBondContact O-CG1 3.4Å; Y272-I276 PolarHBondContact O-N 3.35Å |
| 273 | F | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.3 | -34.8 | 177.9 | -64.6 | -50.5 | 0 | 0 | 0 | 112.8 | L200 L269 H275 I276 T277 I297 L300 I301 L349 | L200-F273 HydrophobicContact CD1-CZ 4.1Å; L269-F273 HydrophobicContact CB-CD2 4.32Å; L269-F273 HydrophobicContact CB-CE2 3.91Å; L269-F273 WeakPolarHBondContact O-CD2 3.42Å; L269-F273 WeakPolarHBondContact O-CG 3.42Å; L269-F273 PolarHBondContact O-N 3.47Å; F273-H275 VanDerWaalsContact C-N 3.29Å; F273-H275 PolarHBondContact O-N 3.1Å; F273-I276 HydrophobicContact CD1-CD1 4.2Å; F273-I276 HydrophobicContact CD1-CG1 4.42Å; F273-T277 PolarHBondContact O-N 3.45Å; F273-T277 PolarHBondContact O-OG1 3.16Å; F273-I297 HydrophobicContact CD1-CD1 3.85Å; F273-I297 HydrophobicContact CD1-CG1 3.78Å; F273-I297 HydrophobicContact CD1-CG2 4.47Å; F273-I297 HydrophobicContact CE1-CD1 3.97Å; F273-I297 HydrophobicContact CE1-CG1 4.27Å; F273-I297 HydrophobicContact CG-CG1 4.35Å; F273-L300 HydrophobicContact CE1-CD2 4.44Å; F273-L300 HydrophobicContact CE2-CD2 4.13Å; F273-L300 HydrophobicContact CZ-CD2 4.05Å; F273-I301 HydrophobicContact CD2-CD1 3.93Å; F273-I301 HydrophobicContact CD2-CG1 4.19Å; F273-I301 HydrophobicContact CE2-CD1 3.94Å; F273-I301 HydrophobicContact CE2-CG1 4.29Å; F273-L349 HydrophobicContact CE2-CD2 4.03Å |
| 274 | V | 88.7 | Confident | 89.9 | Confident | 93 Ų | 93 | 30.1 Ų | 30.1 | 56% | 0.564 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -63.9 | -34.4 | 169.7 | 169 | 0 | 0 | 0 | 0 | 111.9 | R270 I271 Y272 E298 | R270-V274 WeakPolarHBondContact O-CG2 3.41Å; R270-V274 PolarHBondContact O-N 3.27Å; R270-V274 VanDerWaalsContact O-N 3.08Å; I271-V274 PolarHBondContact O-N 2.89Å; Y272-V274 PolarHBondContact O-N 2.86Å; V274-E298 HydrophobicContact CG2-CB 3.86Å |
| 275 | H | 86.8 | Confident | 89.6 | Confident | 84 Ų | 84 | 32.3 Ų | 32.3 | 39% | 0.389 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -75.2 | -36.1 | 179.1 | 175.1 | 48.3 | 0 | 0 | 0 | 113.4 | E152 L155 I271 Y272 F273 | E152-H275 IonicContact OE1-CE1 2.75Å; E152-H275 PolarHBondContact OE1-CE1 3.44Å; L155-H275 HydrophobicContact CD1-CB 3.99Å; I271-H275 WeakPolarHBondContact O-CB 3.41Å; I271-H275 PolarHBondContact O-N 3.28Å; Y272-H275 WeakPolarHBondContact O-CB 3.26Å; Y272-H275 PolarHBondContact O-N 3.31Å; F273-H275 VanDerWaalsContact C-N 3.29Å; F273-H275 PolarHBondContact O-N 3.1Å |
| 276 | I | 87.4 | Confident | 89.2 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 23% | 0.226 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 10.8 | 178.6 | 68.3 | 155.7 | 0 | 0 | 0 | 114.4 | L235 Y272 F273 P278 L279 I297 | L235-I276 HydrophobicContact CD1-CD1 3.81Å; Y272-I276 HydrophobicContact CD1-CD1 4.43Å; Y272-I276 HydrophobicContact CD2-CG2 4.35Å; Y272-I276 HydrophobicContact CE1-CD1 3.7Å; Y272-I276 HydrophobicContact CE1-CG1 4.18Å; Y272-I276 HydrophobicContact CE1-CG2 4.42Å; Y272-I276 HydrophobicContact CE2-CG2 3.84Å; Y272-I276 WeakPolarHBondContact O-CG1 3.4Å; Y272-I276 PolarHBondContact O-N 3.35Å; F273-I276 HydrophobicContact CD1-CD1 4.2Å; F273-I276 HydrophobicContact CD1-CG1 4.42Å; I276-P278 CarbonylContact O-C 3.58Å; I276-L279 PolarHBondContact O-N 3.18Å; I276-I297 HydrophobicContact CD1-CD1 4.33Å; I276-I297 HydrophobicContact CD1-CG2 4.13Å; I276-I297 HydrophobicContact CG1-CG2 3.93Å |
| 277 | T | 88.8 | Confident | 88.9 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -85.9 | 138.9 | 176.6 | -100.1 | 0 | 0 | 0 | 0 | 111.9 | F273 I297 E298 | F273-T277 PolarHBondContact O-N 3.45Å; F273-T277 PolarHBondContact O-OG1 3.16Å; T277-I297 WeakPolarHBondContact OG1-CG2 3.27Å; T277-I297 PolarHBondContact OG1-N 3.07Å; T277-E298 WeakPolarHBondContact CB-OE2 3.5Å; T277-E298 WeakPolarHBondContact CG2-OE2 3.29Å; T277-E298 PolarHBondContact OG1-N 3.07Å; T277-E298 PolarHBondContact OG1-OE2 2.98Å |
| 278 | P | 90.1 | Very high | 88.8 | Confident | 71 Ų | 71 | 44.8 Ų | 44.8 | 46% | 0.461 | 24% | 0.238 | S | C | . | . | S | Bend | cis | -82.1 | 140.4 | -6.4 | 32.8 | -33 | 0 | 0 | 0 | 111.9 | I276 V280 T294 V295 | I276-P278 CarbonylContact O-C 3.58Å; P278-V280 PolarHBondContact O-N 2.62Å; P278-T294 HydrophobicContact CB-CG2 4.42Å; P278-T294 HydrophobicContact CG-CG2 4.3Å; P278-V295 CarbonylContact C-O 3.52Å; P278-V295 WeakPolarHBondContact CA-O 3.39Å |
| 279 | L | 92.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.6 | 169.9 | 175.6 | 68.3 | 0 | 0 | 0 | 109 | F202 E234 L235 I276 V295 I297 I347 | F202-L279 HydrophobicContact CE2-CD2 4.26Å; E234-L279 VanDerWaalsContact O-CD1 3.26Å; E234-L279 WeakPolarHBondContact O-CD1 3.4Å; L235-L279 HydrophobicContact CD1-CD1 3.9Å; L235-L279 HydrophobicContact CD1-CD2 4.17Å; I276-L279 PolarHBondContact O-N 3.18Å; L279-V295 HydrophobicContact CB-CB 4.13Å; L279-V295 PolarHBondContact N-O 3.28Å; L279-V295 WeakPolarHBondContact O-CB 3.4Å; L279-V295 PolarHBondContact O-N 3.13Å; L279-I297 HydrophobicContact CB-CB 4.39Å; L279-I297 HydrophobicContact CB-CG2 4.15Å; L279-I297 HydrophobicContact CD2-CD1 4.04Å; L279-I347 HydrophobicContact CD2-CD1 4.03Å |
| 280 | V | 93.7 | Very high | 88.7 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 35% | 0.352 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121 | -173.9 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | P278 K282 H292 | P278-V280 PolarHBondContact O-N 2.62Å; V280-K282 HydrophobicContact CG1-CG 4.34Å; V280-H292 HydrophobicContact CG1-CB 4.18Å |
| 281 | I | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134 | 170.3 | -66.2 | 173.6 | 0 | 0 | 0 | 108.5 | F202 F204 F231 C233 H292 A293 V295 V343 I345 | F202-I281 HydrophobicContact CZ-CD1 4.25Å; F204-I281 HydrophobicContact CE1-CD1 4.27Å; F204-I281 HydrophobicContact CE1-CG2 3.96Å; F231-I281 HydrophobicContact CB-CG2 4.43Å; F231-I281 HydrophobicContact CD1-CG2 3.82Å; C233-I281 HydrophobicContact CB-CG1 4.06Å; I281-H292 CarbonylContact O-C 3.58Å; I281-H292 WeakPolarHBondContact O-CA 3.39Å; I281-H292 WeakPolarHBondContact O-CB 3.44Å; I281-A293 PolarHBondContact N-O 3.39Å; I281-A293 PolarHBondContact O-N 2.93Å; I281-V295 HydrophobicContact CD1-CG2 3.82Å; I281-V295 HydrophobicContact CG1-CG2 4.34Å; I281-V343 HydrophobicContact CG2-CG1 4.41Å; I281-I345 HydrophobicContact CD1-CD1 3.85Å; I281-I345 HydrophobicContact CD1-CG2 3.53Å |
| 282 | K | 93.8 | Very high | 89.1 | Confident | 93 Ų | 93 | 48.6 Ų | 48.6 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135 | 179.1 | -58.8 | 171.7 | -174 | 171.1 | 0 | 109.9 | F231 T232 V280 V289 | F231-K282 CarbonylContact C-O 3.45Å; F231-K282 VanDerWaalsContact CA-O 3.27Å; F231-K282 WeakPolarHBondContact CA-O 3.43Å; T232-K282 HydrophobicContact CG2-CB 3.94Å; T232-K282 HydrophobicContact CG2-CD 4.42Å; T232-K282 PolarHBondContact N-O 3.24Å; T232-K282 PolarHBondContact O-N 2.73Å; V280-K282 HydrophobicContact CG1-CG 4.34Å; K282-V289 HydrophobicContact CB-CG1 4.27Å; K282-V289 HydrophobicContact CB-CG2 4.49Å; K282-V289 HydrophobicContact CD-CG2 4.19Å |
| 283 | F | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.6 | 168.4 | 174.6 | -126.4 | 0 | 0 | 0 | 108.6 | L210 L213 I214 F229 F231 F245 L248 L290 A291 L320 | L210-F283 HydrophobicContact CB-CE1 4.44Å; L210-F283 HydrophobicContact CB-CZ 4.12Å; L210-F283 HydrophobicContact CD1-CD2 4.5Å; L210-F283 HydrophobicContact CD1-CE2 3.92Å; L210-F283 HydrophobicContact CD1-CZ 4.19Å; L213-F283 HydrophobicContact CB-CD1 4.28Å; L213-F283 HydrophobicContact CB-CE1 4.04Å; L213-F283 HydrophobicContact CD1-CD1 3.83Å; L213-F283 HydrophobicContact CD1-CE1 4.15Å; I214-F283 HydrophobicContact CD1-CE1 4.3Å; I214-F283 HydrophobicContact CD1-CZ 4.4Å; F229-F283 HydrophobicContact CB-CE2 4.03Å; F229-F283 HydrophobicContact CB-CZ 4.42Å; F229-F283 HydrophobicContact CD1-CE1 4.46Å; F229-F283 AromaticContact CD1-CE2 3.97Å; F229-F283 HydrophobicContact CD1-CE2 3.97Å; F229-F283 AromaticContact CD1-CZ 3.57Å; F229-F283 HydrophobicContact CD1-CZ 3.57Å; F229-F283 HydrophobicContact CE1-CZ 4.19Å; F229-F283 HydrophobicContact CG-CE2 4.37Å; F229-F283 HydrophobicContact CG-CZ 4.28Å; F231-F283 HydrophobicContact CD1-CB 4.01Å; F231-F283 HydrophobicContact CD1-CD2 4.34Å; F231-F283 HydrophobicContact CE1-CB 3.65Å; F231-F283 AromaticContact CE1-CD2 3.9Å; F231-F283 HydrophobicContact CE1-CD2 3.9Å; F231-F283 HydrophobicContact CE1-CG 4.08Å; F231-F283 HydrophobicContact CE2-CD2 4.08Å; F231-F283 HydrophobicContact CZ-CB 4.33Å; F231-F283 AromaticContact CZ-CD2 3.75Å; F231-F283 HydrophobicContact CZ-CD2 3.75Å; F231-F283 HydrophobicContact CZ-CE2 4.47Å; F231-F283 HydrophobicContact CZ-CG 4.26Å; F245-F283 AromaticContact CE2-CE2 3.92Å; F245-F283 HydrophobicContact CE2-CE2 3.92Å; F245-F283 HydrophobicContact CZ-CD2 4.27Å; F245-F283 AromaticContact CZ-CE2 3.73Å; F245-F283 HydrophobicContact CZ-CE2 3.73Å; L248-F283 HydrophobicContact CD2-CZ 4.07Å; F283-L290 HydrophobicContact CD1-CB 3.82Å; F283-L290 HydrophobicContact CD1-CD1 4.17Å; F283-L290 HydrophobicContact CE1-CB 4.14Å; F283-L290 HydrophobicContact CE1-CD1 3.71Å; F283-L290 HydrophobicContact CZ-CD1 4.25Å; F283-L290 PolarHBondContact O-N 3.02Å; F283-A291 HydrophobicContact CB-CB 4.24Å; F283-A291 HydrophobicContact CD1-CB 4.3Å; F283-A291 PolarHBondContact N-O 3.34Å; F283-A291 PolarHBondContact O-N 2.91Å; F283-L320 HydrophobicContact CB-CD2 4.35Å |
| 284 | C | 90.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.5 | -168.2 | -55.9 | 0 | 0 | 0 | 0 | 112.9 | F229 H230 H288 | F229-C284 CarbonylContact C-O 3.59Å; F229-C284 VanDerWaalsContact CA-O 3.29Å; F229-C284 WeakPolarHBondContact CA-O 3.32Å; H230-C284 PolarHBondContact N-O 3.39Å; H230-C284 PolarHBondContact O-N 2.93Å; C284-H288 CarbonylContact C-O 3.58Å; C284-H288 WeakPolarHBondContact CA-O 3.49Å; C284-H288 WeakPolarHBondContact CB-O 3.35Å |
| 285 | F | 86.4 | Confident | 89.6 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 20% | 0.202 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 113 | 166.8 | 177 | -95.7 | 0 | 0 | 0 | 109 | L220 G227 F229 N287 H288 L290 | L220-F285 HydrophobicContact CB-CE1 4.23Å; L220-F285 HydrophobicContact CB-CZ 4.09Å; L220-F285 HydrophobicContact CD2-CD1 3.86Å; L220-F285 HydrophobicContact CD2-CE1 3.83Å; L220-F285 HydrophobicContact CD2-CG 4.43Å; L220-F285 HydrophobicContact CD2-CZ 4.38Å; G227-F285 VanDerWaalsContact O-CE2 3.29Å; G227-F285 WeakPolarHBondContact O-CE2 3.45Å; F229-F285 HydrophobicContact CD1-CB 3.86Å; F229-F285 AromaticContact CD1-CD2 3.74Å; F229-F285 HydrophobicContact CD1-CD2 3.74Å; F229-F285 HydrophobicContact CD1-CG 4.26Å; F229-F285 HydrophobicContact CD2-CD2 4.1Å; F229-F285 HydrophobicContact CE1-CB 3.89Å; F229-F285 AromaticContact CE1-CD2 3.58Å; F229-F285 HydrophobicContact CE1-CD2 3.58Å; F229-F285 HydrophobicContact CE1-CE2 4.49Å; F229-F285 HydrophobicContact CE1-CG 4.06Å; F229-F285 AromaticContact CE2-CD2 3.95Å; F229-F285 HydrophobicContact CE2-CD2 3.95Å; F229-F285 HydrophobicContact CE2-CE2 4.21Å; F229-F285 HydrophobicContact CG-CD2 4Å; F229-F285 AromaticContact CZ-CD2 3.69Å; F229-F285 HydrophobicContact CZ-CD2 3.69Å; F229-F285 HydrophobicContact CZ-CE2 4.18Å; F229-F285 HydrophobicContact CZ-CG 4.49Å; F285-N287 PolarHBondContact O-N 2.97Å; F285-H288 PolarHBondContact N-O 3.1Å; F285-H288 PolarHBondContact O-N 3.45Å; F285-L290 HydrophobicContact CB-CD1 3.89Å; F285-L290 HydrophobicContact CB-CG 4.43Å |
| 286 | G | 80.1 | Confident | 89.8 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | -127.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | H230 | H230-G286 PolarHBondContact CE1-O 3.5Å; H230-G286 VanDerWaalsContact CE1-O 3.3Å |
| 287 | N | 80.7 | Confident | 90.1 | Very high | 167 Ų | 167 | 42 Ų | 42 | 89% | 0.893 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.5 | 177.8 | -65.2 | -7.6 | 0 | 0 | 0 | 114 | F285 | F285-N287 PolarHBondContact O-N 2.97Š|
| 288 | H | 83.3 | Confident | 90.1 | Very high | 134 Ų | 134 | 42.5 Ų | 42.5 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129 | -179.9 | -62 | -86.1 | 0 | 0 | 0 | 110.5 | C284 F285 | C284-H288 CarbonylContact C-O 3.58Å; C284-H288 WeakPolarHBondContact CA-O 3.49Å; C284-H288 WeakPolarHBondContact CB-O 3.35Å; F285-H288 PolarHBondContact N-O 3.1Å; F285-H288 PolarHBondContact O-N 3.45Å |
| 289 | V | 88 | Confident | 90 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 142.9 | 165.5 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | K282 E323 | K282-V289 HydrophobicContact CB-CG1 4.27Å; K282-V289 HydrophobicContact CB-CG2 4.49Å; K282-V289 HydrophobicContact CD-CG2 4.19Å; V289-E323 WeakPolarHBondContact CB-OE2 3.32Å; V289-E323 VanDerWaalsContact CG1-OE2 3.25Å; V289-E323 WeakPolarHBondContact CG1-OE2 3.42Å |
| 290 | L | 87.8 | Confident | 89.9 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -36.9 | 176.7 | -61.4 | 177.2 | 0 | 0 | 0 | 111.2 | F229 F283 F285 E323 | F229-L290 HydrophobicContact CD1-CD1 4.13Å; F229-L290 HydrophobicContact CE1-CD1 3.84Å; F283-L290 HydrophobicContact CD1-CB 3.82Å; F283-L290 HydrophobicContact CD1-CD1 4.17Å; F283-L290 HydrophobicContact CE1-CB 4.14Å; F283-L290 HydrophobicContact CE1-CD1 3.71Å; F283-L290 HydrophobicContact CZ-CD1 4.25Å; F283-L290 PolarHBondContact O-N 3.02Å; F285-L290 HydrophobicContact CB-CD1 3.89Å; F285-L290 HydrophobicContact CB-CG 4.43Å; L290-E323 PolarHBondContact O-N 3.43Å |
| 291 | A | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 166.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L213 F283 L320 I321 | L213-A291 HydrophobicContact CD1-CB 3.65Å; L213-A291 HydrophobicContact CD2-CB 3.92Å; L213-A291 HydrophobicContact CG-CB 4.3Å; F283-A291 HydrophobicContact CB-CB 4.24Å; F283-A291 HydrophobicContact CD1-CB 4.3Å; F283-A291 PolarHBondContact N-O 3.34Å; F283-A291 PolarHBondContact O-N 2.91Å; A291-L320 HydrophobicContact CB-CB 4.24Å; A291-L320 HydrophobicContact CB-CD2 4.43Å; A291-I321 CarbonylContact C-O 3.48Å; A291-I321 WeakPolarHBondContact CA-O 3.47Å; A291-I321 VanDerWaalsContact CB-O 3.28Å; A291-I321 WeakPolarHBondContact CB-O 3.4Å |
| 292 | H | 93 | Very high | 88.9 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 157.1 | 173.5 | 66.5 | -78.7 | 0 | 0 | 0 | 112.5 | V280 I281 I321 | V280-H292 HydrophobicContact CG1-CB 4.18Å; I281-H292 CarbonylContact O-C 3.58Å; I281-H292 WeakPolarHBondContact O-CA 3.39Å; I281-H292 WeakPolarHBondContact O-CB 3.44Å; H292-I321 PolarHBondContact N-O 3.07Å; H292-I321 PolarHBondContact ND1-O 2.74Å; H292-I321 PolarHBondContact O-N 3.18Å |
| 293 | A | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | I281 F318 D319 L320 V343 | I281-A293 PolarHBondContact N-O 3.39Å; I281-A293 PolarHBondContact O-N 2.93Å; A293-F318 HydrophobicContact CB-CB 4.06Å; A293-D319 WeakPolarHBondContact CB-O 3.45Å; A293-L320 HydrophobicContact CB-CD2 3.77Å; A293-L320 HydrophobicContact CB-CG 4.38Å; A293-V343 HydrophobicContact CB-CG1 4.06Å |
| 294 | T | 93.2 | Very high | 86.5 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.5 | -178.1 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | P278 | P278-T294 HydrophobicContact CB-CG2 4.42Å; P278-T294 HydrophobicContact CG-CG2 4.3Å |
| 295 | V | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.3 | -176.2 | 178 | 0 | 0 | 0 | 0 | 110 | P278 L279 I281 I297 L314 F318 I345 I347 | P278-V295 CarbonylContact C-O 3.52Å; P278-V295 WeakPolarHBondContact CA-O 3.39Å; L279-V295 HydrophobicContact CB-CB 4.13Å; L279-V295 PolarHBondContact N-O 3.28Å; L279-V295 WeakPolarHBondContact O-CB 3.4Å; L279-V295 PolarHBondContact O-N 3.13Å; I281-V295 HydrophobicContact CD1-CG2 3.82Å; I281-V295 HydrophobicContact CG1-CG2 4.34Å; V295-I297 VanDerWaalsContact C-N 3.35Å; V295-I297 PolarHBondContact O-N 2.8Å; V295-L314 HydrophobicContact CG1-CD2 3.95Å; V295-F318 HydrophobicContact CB-CZ 4.43Å; V295-F318 HydrophobicContact CG1-CE1 4.47Å; V295-F318 HydrophobicContact CG1-CE2 4.17Å; V295-F318 HydrophobicContact CG1-CZ 3.93Å; V295-F318 HydrophobicContact CG2-CD1 4.41Å; V295-F318 HydrophobicContact CG2-CD2 3.99Å; V295-F318 HydrophobicContact CG2-CE2 4.07Å; V295-F318 HydrophobicContact CG2-CG 4.17Å; V295-F318 HydrophobicContact CG2-CZ 4.32Å; V295-I345 HydrophobicContact CB-CD1 4.29Å; V295-I345 HydrophobicContact CG1-CD1 3.75Å; V295-I345 HydrophobicContact CG2-CD1 3.54Å; V295-I347 HydrophobicContact CG1-CD1 4.48Å |
| 296 | P | 92 | Very high | 84.6 | Confident | 29 Ų | 29 | 56 Ų | 56 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | trans | -80.6 | 81.2 | 175.2 | 33.2 | -31.5 | 0 | 0 | 0 | 110 | E298 Q299 F318 | P296-E298 WeakPolarHBondContact CA-OE2 3.49Å; P296-E298 WeakPolarHBondContact CB-OE1 3.44Å; P296-E298 VanDerWaalsContact CB-OE2 3.3Å; P296-E298 WeakPolarHBondContact CB-OE2 3.36Å; P296-E298 PolarHBondContact O-N 2.61Å; P296-Q299 HydrophobicContact CB-CG 4.15Å; P296-Q299 HydrophobicContact CG-CG 4.45Å; P296-Q299 WeakPolarHBondContact O-CB 3.44Å; P296-Q299 PolarHBondContact O-N 3.05Å; P296-F318 VanDerWaalsContact CD-CE1 3.42Å; P296-F318 HydrophobicContact CG-CE1 4.31Å | ||
| 297 | I | 92.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -70.9 | -15.7 | -176.7 | -169.5 | 164.8 | 0 | 0 | 0 | 112.7 | L235 F273 I276 T277 L279 V295 Q299 L300 I347 | L235-I297 HydrophobicContact CD1-CD1 4.44Å; F273-I297 HydrophobicContact CD1-CD1 3.85Å; F273-I297 HydrophobicContact CD1-CG1 3.78Å; F273-I297 HydrophobicContact CD1-CG2 4.47Å; F273-I297 HydrophobicContact CE1-CD1 3.97Å; F273-I297 HydrophobicContact CE1-CG1 4.27Å; F273-I297 HydrophobicContact CG-CG1 4.35Å; I276-I297 HydrophobicContact CD1-CD1 4.33Å; I276-I297 HydrophobicContact CD1-CG2 4.13Å; I276-I297 HydrophobicContact CG1-CG2 3.93Å; T277-I297 WeakPolarHBondContact OG1-CG2 3.27Å; T277-I297 PolarHBondContact OG1-N 3.07Å; L279-I297 HydrophobicContact CB-CB 4.39Å; L279-I297 HydrophobicContact CB-CG2 4.15Å; L279-I297 HydrophobicContact CD2-CD1 4.04Å; V295-I297 VanDerWaalsContact C-N 3.35Å; V295-I297 PolarHBondContact O-N 2.8Å; I297-Q299 PolarHBondContact O-N 3.44Å; I297-L300 HydrophobicContact CG1-CB 4.43Å; I297-L300 HydrophobicContact CG1-CD2 4.37Å; I297-L300 WeakPolarHBondContact O-CB 3.44Å; I297-L300 PolarHBondContact O-N 2.89Å; I297-I347 HydrophobicContact CD1-CD1 3.97Å; I297-I347 HydrophobicContact CG1-CD1 4.48Å |
| 298 | E | 89.2 | Confident | 84.1 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -60.8 | -23.6 | 170.4 | 83.7 | -67.9 | 168.6 | 0 | 0 | 112.7 | V274 T277 P296 L300 | V274-E298 HydrophobicContact CG2-CB 3.86Å; T277-E298 WeakPolarHBondContact CB-OE2 3.5Å; T277-E298 WeakPolarHBondContact CG2-OE2 3.29Å; T277-E298 PolarHBondContact OG1-N 3.07Å; T277-E298 PolarHBondContact OG1-OE2 2.98Å; P296-E298 WeakPolarHBondContact CA-OE2 3.49Å; P296-E298 WeakPolarHBondContact CB-OE1 3.44Å; P296-E298 VanDerWaalsContact CB-OE2 3.3Å; P296-E298 WeakPolarHBondContact CB-OE2 3.36Å; P296-E298 PolarHBondContact O-N 2.61Å; E298-L300 PolarHBondContact O-N 2.86Å |
| 299 | Q | 89 | Confident | 83.6 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -78.1 | -3.3 | 176.4 | -57.4 | -179.1 | 22.9 | 0 | 0 | 113.3 | P296 I297 | P296-Q299 HydrophobicContact CB-CG 4.15Å; P296-Q299 HydrophobicContact CG-CG 4.45Å; P296-Q299 WeakPolarHBondContact O-CB 3.44Å; P296-Q299 PolarHBondContact O-N 3.05Å; I297-Q299 PolarHBondContact O-N 3.44Å |
| 300 | L | 90.2 | Very high | 83.1 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -65.3 | -42.4 | 177.9 | -178.9 | 60.6 | 0 | 0 | 0 | 111.7 | L200 F273 I297 E298 P302 A312 L314 I347 L349 | L200-L300 HydrophobicContact CD1-CD2 3.68Å; F273-L300 HydrophobicContact CE1-CD2 4.44Å; F273-L300 HydrophobicContact CE2-CD2 4.13Å; F273-L300 HydrophobicContact CZ-CD2 4.05Å; I297-L300 HydrophobicContact CG1-CB 4.43Å; I297-L300 HydrophobicContact CG1-CD2 4.37Å; I297-L300 WeakPolarHBondContact O-CB 3.44Å; I297-L300 PolarHBondContact O-N 2.89Å; E298-L300 PolarHBondContact O-N 2.86Å; L300-P302 WeakPolarHBondContact O-CD 3.38Å; L300-A312 HydrophobicContact CD1-CB 4.28Å; L300-A312 VanDerWaalsContact O-CB 3.27Å; L300-A312 WeakPolarHBondContact O-CB 3.46Å; L300-L314 HydrophobicContact CD1-CB 3.79Å; L300-I347 HydrophobicContact CD1-CG2 4.44Å; L300-I347 WeakPolarHBondContact CD1-O 3.25Å; L300-I347 HydrophobicContact CD2-CG2 3.87Å; L300-L349 HydrophobicContact CD2-CB 4.09Å; L300-L349 HydrophobicContact CG-CB 4.38Å |
| 301 | I | 87.7 | Confident | 83.1 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -102.2 | 111.6 | 177.6 | -51.5 | -178.4 | 0 | 0 | 0 | 109.4 | V266 L269 R270 F273 L349 | V266-I301 HydrophobicContact CG1-CD1 4.45Å; V266-I301 HydrophobicContact CG1-CG2 4.07Å; L269-I301 HydrophobicContact CB-CD1 3.85Å; R270-I301 HydrophobicContact CB-CD1 4.44Å; R270-I301 PolarHBondContact NH1-O 2.89Å; F273-I301 HydrophobicContact CD2-CD1 3.93Å; F273-I301 HydrophobicContact CD2-CG1 4.19Å; F273-I301 HydrophobicContact CE2-CD1 3.94Å; F273-I301 HydrophobicContact CE2-CG1 4.29Å; I301-L349 HydrophobicContact CD1-CD2 3.74Å; I301-L349 HydrophobicContact CG1-CD2 3.86Å |
| 302 | P | 78.6 | Confident | 83.1 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | trans | -53.7 | 143.5 | 176.7 | -26.5 | 35.5 | 0 | 0 | 0 | 112.4 | R270 L300 N304 D305 | R270-P302 PolarHBondContact NH1-O 3.49Å; R270-P302 PolarHBondContact NH2-O 3.38Å; L300-P302 WeakPolarHBondContact O-CD 3.38Å; P302-N304 PolarHBondContact O-N 2.87Å; P302-N304 VanDerWaalsContact O-N 3.15Å; P302-D305 HydrophobicContact CB-CB 4.47Å; P302-D305 PolarHBondContact O-N 3.26Å; P302-D305 VanDerWaalsContact O-N 3.17Å | ||
| 303 | L | 69.6 | Low | 83 | Confident | 108 Ų | 108 | 58.7 Ų | 58.7 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -37.6 | -176.8 | -85 | 142.9 | 0 | 0 | 0 | 113.2 | R270 | R270-L303 PolarHBondContact NH2-O 3.5Š|
| 304 | N | 66.9 | Low | 82.8 | Confident | 143 Ų | 143 | 59 Ų | 59 | 77% | 0.765 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -6.6 | -173.4 | -56.2 | 13.5 | 0 | 0 | 0 | 113.9 | P302 H306 | P302-N304 PolarHBondContact O-N 2.87Å; P302-N304 VanDerWaalsContact O-N 3.15Å; N304-H306 PolarHBondContact O-N 3Å |
| 305 | D | 70.2 | Confident | 82.8 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.214 | 32% | 0.316 | C | S | . | . | trans | -96.5 | 93.3 | -179 | -167.8 | -3.8 | 0 | 0 | 0 | 111.6 | V266 R270 P302 V307 L308 | V266-D305 WeakPolarHBondContact CG1-O 3.3Å; R270-D305 PolarHBondContact NH2-O 2.96Å; P302-D305 HydrophobicContact CB-CB 4.47Å; P302-D305 PolarHBondContact O-N 3.26Å; P302-D305 VanDerWaalsContact O-N 3.17Å; D305-V307 PolarHBondContact OD1-N 2.95Å; D305-L308 WeakPolarHBondContact OD1-CA 3.33Å; D305-L308 PolarHBondContact OD1-N 3.25Å; D305-L308 WeakPolarHBondContact OD2-CA 3.13Å | ||
| 306 | H | 67.5 | Low | 82.7 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -85.5 | -8.1 | 176.3 | -64.3 | -83.4 | 0 | 0 | 0 | 113.7 | V266 D267 N304 | V266-H306 WeakPolarHBondContact CB-O 3.4Å; D267-H306 IonicContact OD1-ND1 2.7Å; N304-H306 PolarHBondContact O-N 3Å |
| 307 | V | 69.8 | Low | 82.6 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 38% | 0.382 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -115.3 | -20.1 | -169.7 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | D305 Q309 R351 | D305-V307 PolarHBondContact OD1-N 2.95Å; V307-Q309 HydrophobicContact CB-CG 4.07Å; V307-Q309 HydrophobicContact CG1-CG 3.69Å; V307-Q309 PolarHBondContact O-N 3.39Å; V307-R351 PolarHBondContact O-NE 2.9Å; V307-R351 PolarHBondContact O-NH1 3.46Å; V307-R351 PolarHBondContact O-NH2 3.22Å |
| 308 | L | 80.3 | Confident | 82.6 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | trans | 48.5 | 55.3 | -175.2 | -161.7 | 77.4 | 0 | 0 | 0 | 111.7 | F198 V266 D305 N310 A312 L349 | F198-L308 HydrophobicContact CD1-CD2 3.83Å; F198-L308 HydrophobicContact CE1-CD2 3.77Å; V266-L308 HydrophobicContact CG1-CB 4.39Å; V266-L308 HydrophobicContact CG2-CB 3.79Å; D305-L308 WeakPolarHBondContact OD1-CA 3.33Å; D305-L308 PolarHBondContact OD1-N 3.25Å; D305-L308 WeakPolarHBondContact OD2-CA 3.13Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-A312 HydrophobicContact CD1-CB 3.75Å; L308-L349 HydrophobicContact CD1-CD2 4.49Å; L308-L349 HydrophobicContact CD2-CD2 3.74Å; L308-L349 HydrophobicContact CD2-CG 3.8Å | ||
| 309 | Q | 71.9 | Confident | 82.8 | Confident | 157 Ų | 157 | 67.1 Ų | 67.1 | 73% | 0.734 | 35% | 0.354 | S | S | * | . | trans | -68.9 | -33.2 | 179 | -67.5 | -172.3 | -2.4 | 0 | 0 | 112.1 | V307 | V307-Q309 HydrophobicContact CB-CG 4.07Å; V307-Q309 HydrophobicContact CG1-CG 3.69Å; V307-Q309 PolarHBondContact O-N 3.39Å | ||
| 310 | N | 79 | Confident | 82.9 | Confident | 124 Ų | 124 | 63.1 Ų | 63.1 | 66% | 0.663 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -105.7 | 157 | 177.5 | -67.5 | -59.6 | 0 | 0 | 0 | 110.4 | L308 A312 | L308-N310 VanDerWaalsContact C-N 3.32Å; N310-A312 PolarHBondContact O-N 2.9Å |
| 311 | T | 87.2 | Confident | 82.8 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | trans | -63.3 | 120.3 | 169.3 | -59 | 0 | 0 | 0 | 0 | 109.5 | V313 L349 R350 | T311-V313 HydrophobicContact CG2-CG2 4.03Å; T311-L349 WeakPolarHBondContact CA-O 3.42Å; T311-R350 HydrophobicContact CG2-CB 4.17Å | ||
| 312 | A | 90.2 | Very high | 82.6 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L300 L308 N310 T348 L349 | L300-A312 HydrophobicContact CD1-CB 4.28Å; L300-A312 VanDerWaalsContact O-CB 3.27Å; L300-A312 WeakPolarHBondContact O-CB 3.46Å; L308-A312 HydrophobicContact CD1-CB 3.75Å; N310-A312 PolarHBondContact O-N 2.9Å; A312-T348 CarbonylContact O-C 3.54Å; A312-T348 VanDerWaalsContact O-CA 3.29Å; A312-T348 WeakPolarHBondContact O-CA 3.43Å; A312-L349 HydrophobicContact CB-CB 4.36Å; A312-L349 PolarHBondContact N-O 3.06Å; A312-L349 PolarHBondContact O-N 3.46Å |
| 313 | V | 90.8 | Very high | 82.2 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 119.7 | -172.9 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | T311 N315 T348 | T311-V313 HydrophobicContact CG2-CG2 4.03Å; V313-N315 HydrophobicContact CG1-CB 4.11Å; V313-T348 HydrophobicContact CG1-CG2 4.22Å; V313-T348 HydrophobicContact CG2-CG2 4.07Å |
| 314 | L | 91.2 | Very high | 81.8 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 82.4 | 167.1 | -176.7 | 65.5 | 0 | 0 | 0 | 108.3 | V295 L300 R316 I347 | V295-L314 HydrophobicContact CG1-CD2 3.95Å; L300-L314 HydrophobicContact CD1-CB 3.79Å; L314-R316 HydrophobicContact CD1-CG 4.27Å; L314-I347 HydrophobicContact CB-CB 4.39Å; L314-I347 PolarHBondContact N-O 2.86Å; L314-I347 PolarHBondContact O-N 3.34Å |
| 315 | N | 91.6 | Very high | 81.2 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 113.1 | 166.4 | -176.7 | -41.4 | 0 | 0 | 0 | 108.8 | E205 V313 I345 N346 | E205-N315 PolarHBondContact OE1-ND2 3.38Å; E205-N315 PolarHBondContact OE2-ND2 3.09Å; V313-N315 HydrophobicContact CG1-CB 4.11Å; N315-I345 WeakPolarHBondContact CA-O 3.26Å; N315-N346 HydrophobicContact CB-CB 4.38Å; N315-N346 PolarHBondContact ND2-ND2 3.23Å |
| 316 | R | 91.3 | Very high | 80.1 | Confident | 121 Ų | 121 | 68 Ų | 68 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 156.1 | 179.7 | -69.4 | -168.9 | -177 | 159.7 | 5.6 | 111.8 | L314 F318 I345 | L314-R316 HydrophobicContact CD1-CG 4.27Å; R316-F318 HydrophobicContact CB-CE2 3.73Å; R316-F318 HydrophobicContact CB-CZ 3.74Å; R316-F318 WeakPolarHBondContact O-CD2 3.22Å; R316-F318 WeakPolarHBondContact O-CE2 3.49Å; R316-I345 PolarHBondContact N-O 2.9Å; R316-I345 PolarHBondContact O-N 3.42Å |
| 317 | S | 90.6 | Very high | 78.9 | Confident | 62 Ų | 62 | 72 Ų | 72 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 139.8 | 164.9 | -50.6 | 0 | 0 | 0 | 0 | 111.4 | V343 N344 | S317-V343 WeakPolarHBondContact CA-O 3.41Å; S317-N344 WeakPolarHBondContact CA-OD1 3.28Å; S317-N344 VanDerWaalsContact CB-OD1 3.24Å; S317-N344 WeakPolarHBondContact CB-OD1 3.14Å; S317-N344 PolarHBondContact OG-OD1 2.69Å |
| 318 | F | 92.8 | Very high | 77.1 | Confident | 23 Ų | 23 | 77.4 Ų | 77.4 | 10% | 0.101 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135 | 174.9 | -63 | -82.5 | 0 | 0 | 0 | 110.8 | A293 V295 P296 R316 R342 V343 I345 | A293-F318 HydrophobicContact CB-CB 4.06Å; V295-F318 HydrophobicContact CB-CZ 4.43Å; V295-F318 HydrophobicContact CG1-CE1 4.47Å; V295-F318 HydrophobicContact CG1-CE2 4.17Å; V295-F318 HydrophobicContact CG1-CZ 3.93Å; V295-F318 HydrophobicContact CG2-CD1 4.41Å; V295-F318 HydrophobicContact CG2-CD2 3.99Å; V295-F318 HydrophobicContact CG2-CE2 4.07Å; V295-F318 HydrophobicContact CG2-CG 4.17Å; V295-F318 HydrophobicContact CG2-CZ 4.32Å; P296-F318 VanDerWaalsContact CD-CE1 3.42Å; P296-F318 HydrophobicContact CG-CE1 4.31Å; R316-F318 HydrophobicContact CB-CE2 3.73Å; R316-F318 HydrophobicContact CB-CZ 3.74Å; R316-F318 WeakPolarHBondContact O-CD2 3.22Å; R316-F318 WeakPolarHBondContact O-CE2 3.49Å; F318-R342 VanDerWaalsContact O-CA 3.3Å; F318-R342 WeakPolarHBondContact O-CA 3.39Å; F318-V343 PolarHBondContact N-O 2.73Å; F318-V343 PolarHBondContact O-N 2.96Å; F318-I345 HydrophobicContact CD2-CD1 4.1Å; F318-I345 HydrophobicContact CD2-CG1 3.9Å; F318-I345 HydrophobicContact CE2-CD1 3.75Å; F318-I345 HydrophobicContact CE2-CG1 3.64Å |
| 319 | D | 92.5 | Very high | 74.9 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 29% | 0.289 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 135.6 | 174.2 | -72.5 | -3.4 | 0 | 0 | 0 | 110.1 | A293 K340 R342 | A293-D319 WeakPolarHBondContact CB-O 3.45Å; D319-K340 HydrophobicContact CB-CD 4.3Å; D319-K340 VanDerWaalsContact CG-CD 3.49Å; D319-K340 WeakPolarHBondContact OD2-CD 3.42Å; D319-K340 WeakPolarHBondContact OD2-CE 3.25Å; D319-K340 IonicContact OD2-NZ 3.13Å; D319-K340 PolarHBondContact OD2-NZ 3.34Å; D319-R342 IonicContact OD1-CZ 2.7Å; D319-R342 IonicContact OD1-NE 3.23Å; D319-R342 PolarHBondContact OD1-NE 3.03Å; D319-R342 IonicContact OD1-NH2 2.74Å; D319-R342 PolarHBondContact OD1-NH2 3.5Å |
| 320 | L | 91.4 | Very high | 72.9 | Confident | 11 Ų | 11 | 83.1 Ų | 83.1 | 6% | 0.058 | 44% | 0.442 | C | S | . | . | trans | -93 | 134.9 | 172.8 | -73.2 | 160.2 | 0 | 0 | 0 | 110.6 | L210 L213 F231 F283 A291 A293 P341 V343 | L210-L320 HydrophobicContact CD2-CD1 3.46Å; L210-L320 VanDerWaalsContact CD2-CD1 3.46Å; L213-L320 HydrophobicContact CD1-CB 3.89Å; L213-L320 HydrophobicContact CD1-CD1 3.99Å; F231-L320 HydrophobicContact CE1-CD1 3.9Å; F231-L320 HydrophobicContact CE1-CD2 4.02Å; F231-L320 HydrophobicContact CZ-CD1 4.05Å; F283-L320 HydrophobicContact CB-CD2 4.35Å; A291-L320 HydrophobicContact CB-CB 4.24Å; A291-L320 HydrophobicContact CB-CD2 4.43Å; A293-L320 HydrophobicContact CB-CD2 3.77Å; A293-L320 HydrophobicContact CB-CG 4.38Å; L320-P341 HydrophobicContact CB-CB 4.15Å; L320-P341 HydrophobicContact CB-CG 4.16Å; L320-P341 HydrophobicContact CD1-CB 4.37Å; L320-P341 PolarHBondContact N-O 2.71Å; L320-V343 HydrophobicContact CD1-CB 4.46Å; L320-V343 HydrophobicContact CD2-CG1 4.28Å; L320-V343 HydrophobicContact CG-CG1 4.41Å | ||
| 321 | I | 88.4 | Confident | 70.4 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.7 | -179.6 | -55.4 | 175.3 | 0 | 0 | 0 | 108.3 | A291 H292 | A291-I321 CarbonylContact C-O 3.48Å; A291-I321 WeakPolarHBondContact CA-O 3.47Å; A291-I321 VanDerWaalsContact CB-O 3.28Å; A291-I321 WeakPolarHBondContact CB-O 3.4Å; H292-I321 PolarHBondContact N-O 3.07Å; H292-I321 PolarHBondContact ND1-O 2.74Å; H292-I321 PolarHBondContact O-N 3.18Å |
| 322 | S | 82.9 | Confident | 67.9 | Low | 23 Ų | 23 | 93.5 Ų | 93.5 | 16% | 0.161 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 135.4 | 173.5 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | E324 S325 | S322-E324 VanDerWaalsContact C-N 3.29Å; S322-E324 PolarHBondContact O-N 3.46Å; S322-E324 PolarHBondContact OG-N 3.22Å; S322-S325 WeakPolarHBondContact O-CB 3.3Å; S322-S325 PolarHBondContact O-N 3.37Å; S322-S325 VanDerWaalsContact O-N 3.16Å |
| 323 | E | 70.9 | Confident | 65 | Low | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -65.8 | -32.7 | -177.9 | -164.3 | 165.1 | 172.6 | 0 | 0 | 112.1 | V289 L290 S325 S326 | V289-E323 WeakPolarHBondContact CB-OE2 3.32Å; V289-E323 VanDerWaalsContact CG1-OE2 3.25Å; V289-E323 WeakPolarHBondContact CG1-OE2 3.42Å; L290-E323 PolarHBondContact O-N 3.43Å; E323-S325 PolarHBondContact O-N 2.94Å; E323-S326 WeakPolarHBondContact O-CB 3.38Å; E323-S326 PolarHBondContact O-N 2.69Å; E323-S326 PolarHBondContact O-OG 2.68Å |
| 324 | E | 61.1 | Low | 62.4 | Low | 135 Ų | 135 | 102.7 Ų | 102.7 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -67.8 | -22.9 | 176.4 | -60.5 | -175.4 | 149.9 | 0 | 0 | 112.8 | S322 S326 | S322-E324 VanDerWaalsContact C-N 3.29Å; S322-E324 PolarHBondContact O-N 3.46Å; S322-E324 PolarHBondContact OG-N 3.22Å; E324-S326 VanDerWaalsContact C-N 3.28Å; E324-S326 PolarHBondContact O-N 3.13Å |
| 325 | S | 54.5 | Low | 60 | Low | 64 Ų | 64 | 111.6 Ų | 111.6 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -77 | -11.2 | -179 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | S322 E323 Q327 Q328 | S322-S325 WeakPolarHBondContact O-CB 3.3Å; S322-S325 PolarHBondContact O-N 3.37Å; S322-S325 VanDerWaalsContact O-N 3.16Å; E323-S325 PolarHBondContact O-N 2.94Å; S325-Q327 PolarHBondContact O-N 2.93Å; S325-Q328 PolarHBondContact O-N 2.96Å |
| 326 | S | 46.9 | Very low | 57.7 | Low | 73 Ų | 73 | 115.2 Ų | 115.2 | 51% | 0.51 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -67.1 | -2.6 | -171.8 | -59.3 | 0 | 0 | 0 | 0 | 115.7 | E323 E324 | E323-S326 WeakPolarHBondContact O-CB 3.38Å; E323-S326 PolarHBondContact O-N 2.69Å; E323-S326 PolarHBondContact O-OG 2.68Å; E324-S326 VanDerWaalsContact C-N 3.28Å; E324-S326 PolarHBondContact O-N 3.13Å |
| 327 | Q | 41.9 | Very low | 55.8 | Low | 185 Ų | 185 | 114.4 Ų | 114.4 | 86% | 0.864 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -111.6 | -3.5 | -179.1 | -61 | -171.4 | 6.6 | 0 | 0 | 114.8 | S325 | S325-Q327 PolarHBondContact O-N 2.93Š|
| 328 | Q | 31.7 | Very low | 54.2 | Low | 178 Ų | 178 | 118.8 Ų | 118.8 | 83% | 0.832 | 60% | 0.595 | S | S | * | * | trans | -139.4 | 84 | 177.8 | -66.8 | -170.4 | 12 | 0 | 0 | 112 | S325 | S325-Q328 PolarHBondContact O-N 2.96Š| ||
| 329 | L | 35 | Very low | 53 | Low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 62% | 0.623 | S | S | * | * | trans | -122.5 | 72.6 | 175.2 | -100.1 | 162.2 | 0 | 0 | 0 | 111.2 | ||||
| 330 | T | 28.9 | Very low | 52.4 | Low | 120 Ų | 120 | 125.8 Ų | 125.8 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | trans | -112.1 | 112.6 | 170.6 | -45.1 | 0 | 0 | 0 | 0 | 109.7 | Y332 | T330-Y332 PolarHBondContact O-N 3.24Š| ||
| 331 | E | 27.9 | Very low | 52.3 | Low | 178 Ų | 178 | 125.9 Ų | 125.9 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | trans | 35.7 | 76.1 | 156.4 | -57.2 | -169.8 | 125.9 | 0 | 0 | 119.7 | ||||
| 332 | Y | 33.7 | Very low | 52.5 | Low | 230 Ų | 230 | 125.4 Ų | 125.4 | 90% | 0.902 | 62% | 0.624 | S | S | * | * | trans | -140.5 | 106.8 | 149.9 | -89.3 | -70.4 | 0 | 0 | 0 | 112.9 | T330 S334 | T330-Y332 PolarHBondContact O-N 3.24Å; Y332-S334 PolarHBondContact O-N 3.28Å | ||
| 333 | Q | 29.2 | Very low | 53 | Low | 188 Ų | 188 | 124.3 Ų | 124.3 | 88% | 0.879 | 62% | 0.617 | S | S | * | * | trans | -84.4 | 89.1 | 173.3 | -66.3 | -177 | 2 | 0 | 0 | 111 | ||||
| 334 | S | 36.8 | Very low | 54 | Low | 101 Ų | 101 | 120.4 Ų | 120.4 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | trans | -76.7 | 125.8 | 170.1 | 58 | 0 | 0 | 0 | 0 | 110.9 | Y332 H336 | Y332-S334 PolarHBondContact O-N 3.28Å; S334-H336 PolarHBondContact O-N 3.11Å | ||
| 335 | K | 40.6 | Very low | 55.5 | Low | 191 Ų | 191 | 114 Ų | 114 | 83% | 0.83 | 57% | 0.569 | S | S | * | * | trans | -80.4 | 11.5 | -170.3 | -69.1 | -173.6 | 175.7 | -178.9 | 0 | 115.6 | ||||
| 336 | H | 43.6 | Very low | 57.4 | Low | 144 Ų | 144 | 112.3 Ų | 112.3 | 67% | 0.667 | 56% | 0.555 | S | S | * | * | trans | -109.8 | 104.3 | -177.9 | -72.8 | -81.9 | 0 | 0 | 0 | 111.3 | S334 E338 | S334-H336 PolarHBondContact O-N 3.11Å; H336-E338 VanDerWaalsContact C-N 3.28Å; H336-E338 PolarHBondContact O-N 3.5Å | ||
| 337 | T | 50.8 | Low | 59.6 | Low | 104 Ų | 104 | 108.8 Ų | 108.8 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.6 | -178.2 | 44.3 | 0 | 0 | 0 | 0 | 114.2 | R342 | T337-R342 PolarHBondContact O-NH1 3.45Å; T337-R342 PolarHBondContact O-NH2 3.28Å |
| 338 | E | 57.3 | Low | 62.1 | Low | 153 Ų | 153 | 101.5 Ų | 101.5 | 72% | 0.715 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -12.2 | -173 | -62 | -171.9 | 138.8 | 0 | 0 | 114.6 | K209 H336 | K209-E338 PolarHBondContact NZ-O 2.81Å; H336-E338 VanDerWaalsContact C-N 3.28Å; H336-E338 PolarHBondContact O-N 3.5Å |
| 339 | D | 67.1 | Low | 65 | Low | 126 Ų | 126 | 93 Ų | 93 | 67% | 0.674 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -107.9 | 17.6 | -164.7 | -129.1 | 20.9 | 0 | 0 | 0 | 115.6 | K209 | K209-D339 IonicContact NZ-OD1 2.68Å; K209-D339 PolarHBondContact NZ-OD1 3.12Å |
| 340 | K | 80.7 | Confident | 67.7 | Low | 98 Ų | 98 | 88.1 Ų | 88.1 | 43% | 0.426 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -97.5 | 150.6 | 177.4 | -66.3 | -178 | -179.7 | -173.2 | 0 | 112.5 | D319 | D319-K340 HydrophobicContact CB-CD 4.3Å; D319-K340 VanDerWaalsContact CG-CD 3.49Å; D319-K340 WeakPolarHBondContact OD2-CD 3.42Å; D319-K340 WeakPolarHBondContact OD2-CE 3.25Å; D319-K340 IonicContact OD2-NZ 3.13Å; D319-K340 PolarHBondContact OD2-NZ 3.34Å |
| 341 | P | 89.4 | Confident | 70.6 | Confident | 14 Ų | 14 | 86.5 Ų | 86.5 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | trans | -62.9 | 139.3 | 167.4 | 27.1 | -33.4 | 0 | 0 | 0 | 110.7 | F208 L210 S212 L213 L320 | F208-P341 WeakPolarHBondContact O-CA 3.2Å; L210-P341 HydrophobicContact CD2-CB 4.47Å; S212-P341 WeakPolarHBondContact OG-CD 3.41Å; S212-P341 WeakPolarHBondContact OG-CG 3.37Å; L213-P341 HydrophobicContact CD1-CB 3.6Å; L213-P341 HydrophobicContact CD1-CG 3.89Å; L213-P341 HydrophobicContact CD2-CB 4.35Å; L213-P341 HydrophobicContact CD2-CG 3.74Å; L213-P341 HydrophobicContact CG-CB 3.83Å; L213-P341 HydrophobicContact CG-CG 3.77Å; L320-P341 HydrophobicContact CB-CB 4.15Å; L320-P341 HydrophobicContact CB-CG 4.16Å; L320-P341 HydrophobicContact CD1-CB 4.37Å; L320-P341 PolarHBondContact N-O 2.71Å | ||
| 342 | R | 91.5 | Very high | 73.2 | Confident | 61 Ų | 61 | 80.6 Ų | 80.6 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153.7 | -173.2 | -78.8 | -174.9 | 168.5 | 135.8 | 15.3 | 114.2 | A207 F208 F318 D319 T337 | A207-R342 CarbonylContact C-O 3.59Å; A207-R342 VanDerWaalsContact CA-O 3.27Å; A207-R342 WeakPolarHBondContact CA-O 3.37Å; A207-R342 WeakPolarHBondContact CB-O 3.27Å; F208-R342 PolarHBondContact N-O 3.47Å; F208-R342 PolarHBondContact O-N 3.15Å; F318-R342 VanDerWaalsContact O-CA 3.3Å; F318-R342 WeakPolarHBondContact O-CA 3.39Å; D319-R342 IonicContact OD1-CZ 2.7Å; D319-R342 IonicContact OD1-NE 3.23Å; D319-R342 PolarHBondContact OD1-NE 3.03Å; D319-R342 IonicContact OD1-NH2 2.74Å; D319-R342 PolarHBondContact OD1-NH2 3.5Å; T337-R342 PolarHBondContact O-NH1 3.45Å; T337-R342 PolarHBondContact O-NH2 3.28Å |
| 343 | V | 92.8 | Very high | 74.8 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.4 | 166.4 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | F204 A207 F231 I281 A293 S317 F318 L320 I345 | F204-V343 HydrophobicContact CD1-CG2 4.25Å; A207-V343 HydrophobicContact CB-CB 4.49Å; A207-V343 HydrophobicContact CB-CG2 4.45Å; F231-V343 HydrophobicContact CD1-CG2 4.25Å; F231-V343 HydrophobicContact CE1-CB 3.95Å; F231-V343 HydrophobicContact CE1-CG1 4.43Å; F231-V343 HydrophobicContact CE1-CG2 4.07Å; F231-V343 HydrophobicContact CE2-CG2 4.48Å; F231-V343 HydrophobicContact CZ-CB 4.14Å; F231-V343 HydrophobicContact CZ-CG2 4.2Å; I281-V343 HydrophobicContact CG2-CG1 4.41Å; A293-V343 HydrophobicContact CB-CG1 4.06Å; S317-V343 WeakPolarHBondContact CA-O 3.41Å; F318-V343 PolarHBondContact N-O 2.73Å; F318-V343 PolarHBondContact O-N 2.96Å; L320-V343 HydrophobicContact CD1-CB 4.46Å; L320-V343 HydrophobicContact CD2-CG1 4.28Å; L320-V343 HydrophobicContact CG-CG1 4.41Å; V343-I345 HydrophobicContact CG2-CG2 4.32Å |
| 344 | N | 93.1 | Very high | 76.2 | Confident | 26 Ų | 26 | 66 Ų | 66 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.8 | 169.6 | -69.2 | 11.5 | 0 | 0 | 0 | 109.1 | E205 E206 S317 | E205-N344 HydrophobicContact CB-CB 4.21Å; E205-N344 PolarHBondContact N-O 2.7Å; E206-N344 WeakPolarHBondContact O-CB 3.49Å; E206-N344 PolarHBondContact O-N 2.63Å; S317-N344 WeakPolarHBondContact CA-OD1 3.28Å; S317-N344 VanDerWaalsContact CB-OD1 3.24Å; S317-N344 WeakPolarHBondContact CB-OD1 3.14Å; S317-N344 PolarHBondContact OG-OD1 2.69Å |
| 345 | I | 93 | Very high | 76.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 159.2 | 172 | 58.6 | 168.7 | 0 | 0 | 0 | 110.6 | F202 Q203 F204 I281 V295 N315 R316 F318 V343 I347 | F202-I345 HydrophobicContact CE2-CD1 4.49Å; F202-I345 HydrophobicContact CZ-CG2 4.22Å; Q203-I345 WeakPolarHBondContact O-CA 3.48Å; F204-I345 HydrophobicContact CD1-CG2 3.87Å; F204-I345 HydrophobicContact CE1-CG2 4.31Å; I281-I345 HydrophobicContact CD1-CD1 3.85Å; I281-I345 HydrophobicContact CD1-CG2 3.53Å; V295-I345 HydrophobicContact CB-CD1 4.29Å; V295-I345 HydrophobicContact CG1-CD1 3.75Å; V295-I345 HydrophobicContact CG2-CD1 3.54Å; N315-I345 WeakPolarHBondContact CA-O 3.26Å; R316-I345 PolarHBondContact N-O 2.9Å; R316-I345 PolarHBondContact O-N 3.42Å; F318-I345 HydrophobicContact CD2-CD1 4.1Å; F318-I345 HydrophobicContact CD2-CG1 3.9Å; F318-I345 HydrophobicContact CE2-CD1 3.75Å; F318-I345 HydrophobicContact CE2-CG1 3.64Å; V343-I345 HydrophobicContact CG2-CG2 4.32Å; I345-I347 HydrophobicContact CD1-CD1 4.08Å; I345-I347 HydrophobicContact CD1-CG1 4.23Å |
| 346 | N | 93.5 | Very high | 76.6 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 119 | 173.3 | -166.6 | -20.4 | 0 | 0 | 0 | 108.5 | Q203 E205 N315 T348 | Q203-N346 HydrophobicContact CB-CB 4.49Å; Q203-N346 PolarHBondContact N-O 2.96Å; Q203-N346 PolarHBondContact O-N 2.88Å; E205-N346 HydrophobicContact CG-CB 3.99Å; E205-N346 VanDerWaalsContact OE1-CB 3.3Å; E205-N346 WeakPolarHBondContact OE1-CB 3.46Å; E205-N346 PolarHBondContact OE1-ND2 2.87Å; N315-N346 HydrophobicContact CB-CB 4.38Å; N315-N346 PolarHBondContact ND2-ND2 3.23Å; N346-T348 WeakPolarHBondContact OD1-CG2 3.35Å |
| 347 | I | 94 | Very high | 76.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.3 | 172.9 | -50.2 | -175.6 | 0 | 0 | 0 | 107.5 | L200 T201 F202 L279 V295 I297 L300 L314 I345 | L200-I347 HydrophobicContact CD1-CG2 3.82Å; L200-I347 HydrophobicContact CD2-CG2 4.46Å; L200-I347 HydrophobicContact CG-CG2 4.23Å; T201-I347 WeakPolarHBondContact O-CA 3.32Å; F202-I347 HydrophobicContact CD2-CD1 3.81Å; F202-I347 HydrophobicContact CD2-CG1 3.75Å; F202-I347 HydrophobicContact CE2-CD1 4.04Å; F202-I347 HydrophobicContact CE2-CG1 4.21Å; L279-I347 HydrophobicContact CD2-CD1 4.03Å; V295-I347 HydrophobicContact CG1-CD1 4.48Å; I297-I347 HydrophobicContact CD1-CD1 3.97Å; I297-I347 HydrophobicContact CG1-CD1 4.48Å; L300-I347 HydrophobicContact CD1-CG2 4.44Å; L300-I347 WeakPolarHBondContact CD1-O 3.25Å; L300-I347 HydrophobicContact CD2-CG2 3.87Å; L314-I347 HydrophobicContact CB-CB 4.39Å; L314-I347 PolarHBondContact N-O 2.86Å; L314-I347 PolarHBondContact O-N 3.34Å; I345-I347 HydrophobicContact CD1-CD1 4.08Å; I345-I347 HydrophobicContact CD1-CG1 4.23Å |
| 348 | T | 93.3 | Very high | 75.5 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.6 | 176.9 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | L200 T201 A312 V313 N346 | L200-T348 CarbonylContact C-O 3.56Å; L200-T348 VanDerWaalsContact CA-O 3.28Å; L200-T348 WeakPolarHBondContact CA-O 3.49Å; L200-T348 WeakPolarHBondContact CD1-O 3.43Å; T201-T348 PolarHBondContact N-O 3.32Å; T201-T348 PolarHBondContact O-N 3.41Å; A312-T348 CarbonylContact O-C 3.54Å; A312-T348 VanDerWaalsContact O-CA 3.29Å; A312-T348 WeakPolarHBondContact O-CA 3.43Å; V313-T348 HydrophobicContact CG1-CG2 4.22Å; V313-T348 HydrophobicContact CG2-CG2 4.07Å; N346-T348 WeakPolarHBondContact OD1-CG2 3.35Å |
| 349 | L | 93.8 | Very high | 74.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.3 | 174.2 | -178.8 | 73.7 | 0 | 0 | 0 | 109.5 | F198 L200 L269 F273 L300 I301 L308 T311 A312 | F198-L349 HydrophobicContact CB-CD1 4.15Å; L200-L349 HydrophobicContact CB-CD1 4.13Å; L200-L349 HydrophobicContact CD1-CB 3.83Å; L200-L349 HydrophobicContact CD1-CD1 3.76Å; L200-L349 HydrophobicContact CD1-CG 4.35Å; L269-L349 HydrophobicContact CD1-CD1 4.12Å; L269-L349 HydrophobicContact CD1-CD2 4.06Å; F273-L349 HydrophobicContact CE2-CD2 4.03Å; L300-L349 HydrophobicContact CD2-CB 4.09Å; L300-L349 HydrophobicContact CG-CB 4.38Å; I301-L349 HydrophobicContact CD1-CD2 3.74Å; I301-L349 HydrophobicContact CG1-CD2 3.86Å; L308-L349 HydrophobicContact CD1-CD2 4.49Å; L308-L349 HydrophobicContact CD2-CD2 3.74Å; L308-L349 HydrophobicContact CD2-CG 3.8Å; T311-L349 WeakPolarHBondContact CA-O 3.42Å; A312-L349 HydrophobicContact CB-CB 4.36Å; A312-L349 PolarHBondContact N-O 3.06Å; A312-L349 PolarHBondContact O-N 3.46Å |
| 350 | R | 91.5 | Very high | 72.5 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154 | 173.2 | 61.2 | -180 | 178.5 | 157 | 1.2 | 111.9 | F198 M199 T311 D354 T357 | F198-R350 CarbonylContact C-O 3.44Å; F198-R350 VanDerWaalsContact CA-O 3.27Å; F198-R350 WeakPolarHBondContact CA-O 3.43Å; M199-R350 HydrophobicContact CB-CG 4.2Å; M199-R350 PolarHBondContact N-O 3Å; M199-R350 PolarHBondContact O-N 3.23Å; M199-R350 PolarHBondContact SD-NH2 2.97Å; T311-R350 HydrophobicContact CG2-CB 4.17Å; R350-D354 IonicContact CZ-OD2 3.25Å; R350-D354 IonicContact NH1-OD2 2.69Å; R350-D354 PolarHBondContact NH1-OD2 2.73Å; R350-T357 PolarHBondContact NH1-OG1 3.36Å; R350-T357 VanDerWaalsContact NH1-OG1 3.12Å |
| 351 | R | 88.6 | Confident | 70 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 33% | 0.328 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 155.8 | 166.5 | -86.4 | 174.1 | 156.8 | 177 | -2.6 | 111 | E196 Y197 F198 V307 | E196-R351 IonicContact OE1-CZ 3.21Å; E196-R351 IonicContact OE1-NH2 3.39Å; E196-R351 PolarHBondContact OE1-NH2 3.42Å; E196-R351 IonicContact OE2-CZ 2.64Å; E196-R351 IonicContact OE2-NE 3.24Å; E196-R351 PolarHBondContact OE2-NE 2.97Å; E196-R351 IonicContact OE2-NH2 3.38Å; E196-R351 PolarHBondContact OE2-NH2 3.01Å; Y197-R351 CarbonylContact O-C 3.55Å; F198-R351 HydrophobicContact CD1-CG 3.83Å; F198-R351 HydrophobicContact CE1-CG 3.54Å; F198-R351 HydrophobicContact CZ-CG 4.31Å; V307-R351 PolarHBondContact O-NE 2.9Å; V307-R351 PolarHBondContact O-NH1 3.46Å; V307-R351 PolarHBondContact O-NH2 3.22Å |
| 352 | Y | 82.8 | Confident | 67.1 | Low | 53 Ų | 53 | 72 Ų | 72 | 21% | 0.208 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -127.6 | 137.3 | 180 | -175.1 | -80.8 | 0 | 0 | 0 | 110.4 | M175 I178 W185 Y197 Y261 | M175-Y352 HydrophobicContact CE-CD1 4.09Å; M175-Y352 HydrophobicContact CE-CE1 3.78Å; I178-Y352 WeakPolarHBondContact CD1-OH 3.46Å; W185-Y352 AromaticContact CH2-CD1 3.91Å; W185-Y352 HydrophobicContact CH2-CD1 3.91Å; W185-Y352 HydrophobicContact CH2-CE1 4.21Å; W185-Y352 HydrophobicContact CH2-CG 4.19Å; W185-Y352 HydrophobicContact CZ2-CE1 4.37Å; Y197-Y352 PolarHBondContact O-N 3.45Å; Y261-Y352 HydrophobicContact CE1-CE2 4.27Å |
| 353 | P | 68 | Low | 64.1 | Low | 75 Ų | 75 | 76.7 Ų | 76.7 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | S | Bend | cis | -80.2 | 131.8 | -2.6 | 32.3 | -33.7 | 0 | 0 | 0 | 112.2 | T355 | P353-T355 PolarHBondContact O-N 2.76Š|
| 354 | D | 57.3 | Low | 60.9 | Low | 37 Ų | 37 | 81.8 Ų | 81.8 | 20% | 0.198 | 43% | 0.425 | C | S | . | . | trans | -73 | 115.5 | 169.2 | 174.1 | -5.6 | 0 | 0 | 0 | 109.3 | R350 N356 T357 | R350-D354 IonicContact CZ-OD2 3.25Å; R350-D354 IonicContact NH1-OD2 2.69Å; R350-D354 PolarHBondContact NH1-OD2 2.73Å; D354-N356 PolarHBondContact O-N 2.84Å; D354-N356 VanDerWaalsContact O-N 3.1Å; D354-N356 WeakPolarHBondContact OD1-CB 3.45Å; D354-N356 PolarHBondContact OD1-N 3.17Å; D354-N356 PolarHBondContact OD1-ND2 3.05Å; D354-T357 WeakPolarHBondContact O-CB 3.38Å; D354-T357 PolarHBondContact O-N 2.84Å; D354-T357 PolarHBondContact O-OG1 3.39Å | ||
| 355 | T | 46.1 | Very low | 58 | Low | 123 Ų | 123 | 87 Ų | 87 | 76% | 0.755 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -18.9 | -176.2 | 44 | 0 | 0 | 0 | 0 | 113.9 | P353 T357 | P353-T355 PolarHBondContact O-N 2.76Å; T355-T357 VanDerWaalsContact C-N 3.26Å; T355-T357 PolarHBondContact O-N 3.01Å |
| 356 | N | 41.4 | Very low | 54.9 | Low | 117 Ų | 117 | 93.8 Ų | 93.8 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -7.9 | 174.3 | -58.7 | -76.5 | 0 | 0 | 0 | 113.7 | D354 | D354-N356 PolarHBondContact O-N 2.84Å; D354-N356 VanDerWaalsContact O-N 3.1Å; D354-N356 WeakPolarHBondContact OD1-CB 3.45Å; D354-N356 PolarHBondContact OD1-N 3.17Å; D354-N356 PolarHBondContact OD1-ND2 3.05Å |
| 357 | T | 36.6 | Very low | 52 | Low | 72 Ų | 72 | 100.4 Ų | 100.4 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -88.4 | -25.1 | -175 | -40.4 | 0 | 0 | 0 | 0 | 112.5 | R350 D354 T355 Q359 | R350-T357 PolarHBondContact NH1-OG1 3.36Å; R350-T357 VanDerWaalsContact NH1-OG1 3.12Å; D354-T357 WeakPolarHBondContact O-CB 3.38Å; D354-T357 PolarHBondContact O-N 2.84Å; D354-T357 PolarHBondContact O-OG1 3.39Å; T355-T357 VanDerWaalsContact C-N 3.26Å; T355-T357 PolarHBondContact O-N 3.01Å; T357-Q359 PolarHBondContact O-N 3.43Å |
| 358 | I | 33.1 | Very low | 48.9 | Very low | 127 Ų | 127 | 106.8 Ų | 106.8 | 65% | 0.651 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 49.3 | -179.6 | -41.9 | -179.3 | 0 | 0 | 0 | 111.4 | ||
| 359 | Q | 30.3 | Very low | 46.1 | Very low | 168 Ų | 168 | 111.5 Ų | 111.5 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.7 | -3.7 | 171.1 | -122.4 | 166.5 | 51 | 0 | 0 | 117 | T357 | T357-Q359 PolarHBondContact O-N 3.43Š|
| 360 | R | 30.8 | Very low | 43 | Very low | 230 Ų | 230 | 118.3 Ų | 118.3 | 87% | 0.868 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -98.3 | 8.3 | -173.9 | -71.4 | -170.8 | 176.1 | -178.1 | 1.5 | 116.1 | ||
| 361 | S | 28.3 | Very low | 40.3 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -110 | 15.3 | -179.7 | 50.2 | 0 | 0 | 0 | 0 | 115 | ||
| 362 | T | 28.5 | Very low | 37.4 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 66% | 0.656 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -145.6 | 130 | 170.8 | 40.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 363 | M | 29 | Very low | 35 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 79% | 0.788 | 71% | 0.712 | S | S | * | * | trans | 58.2 | 92.2 | 152.5 | -56.4 | -57.5 | 143.6 | 0 | 0 | 119.5 | ||||
| 364 | T | 26.8 | Very low | 33.1 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | 25 | 140.2 | 119.6 | 59.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 365 | N | 30.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 104.5 | 104 | 150.5 | -60.2 | -33.3 | 0 | 0 | 0 | 119.3 | ||||
| 366 | N | 27.7 | Very low | 31.1 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | 50.5 | 112.8 | 122.3 | -68.9 | -19.5 | 0 | 0 | 0 | 120.4 | |||||
| 367 | I | 34.3 | Very low | 30.4 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | -173.5 | 150.3 | 98.4 | -96.2 | 153.6 | 0 | 0 | 0 | 112.5 | |||||
| 368 | N | 28.6 | Very low | 30 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 154.3 | -175.8 | -58.6 | -69.3 | 0 | 0 | 0 | 114.9 | ||||
| 369 | S | 33 | Very low | 29.7 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -132.2 | 127.3 | 153 | -77.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 370 | N | 30 | Very low | 29.7 | Very low | 144 Ų | 144 | 150.9 Ų | 150.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -89.8 | 171.9 | -160.3 | -80.1 | -77 | 0 | 0 | 0 | 115.8 | ||||
| 371 | R | 33.9 | Very low | 29.6 | Very low | 236 Ų | 236 | 146 Ų | 146 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | 84.7 | 120.2 | 165.6 | -55.8 | 175.5 | 177.7 | 176.6 | -1.6 | 114.1 | ||||
| 372 | R | 27.5 | Very low | 29.6 | Very low | 200 Ų | 200 | 148.9 Ų | 148.9 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | 69 | 111.3 | 34.6 | -63.8 | -171.4 | 172.5 | -177.5 | 0.6 | 116 | ||||
| 373 | L | 32.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | -175.2 | 115.4 | 119.5 | -88.6 | 154.5 | 0 | 0 | 0 | 105.2 | |||||
| 374 | R | 28 | Very low | 29.6 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | 64 | 101.6 | 66 | -64.8 | -176.2 | 175.5 | -169.9 | -5.3 | 112 | |||||
| 375 | N | 31.1 | Very low | 30 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | 71.8 | 122.4 | 85.7 | -72.1 | 38.5 | 0 | 0 | 0 | 113.2 | |||||
| 376 | I | 31.6 | Very low | 29.9 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -156 | 153.3 | 135.8 | -103.4 | 152.6 | 0 | 0 | 0 | 108.9 | ||||
| 377 | T | 26.4 | Very low | 29.8 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 64% | 0.644 | 79% | 0.786 | S | S | * | * | trans | -110 | 168.6 | -161.5 | 53.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 378 | D | 26.9 | Very low | 29.6 | Very low | 138 Ų | 138 | 151.9 Ų | 151.9 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 71.7 | 150.7 | 147.9 | -52.7 | -38.7 | 0 | 0 | 0 | 122.5 | ||||
| 379 | S | 27.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 88.1 | 102.6 | 157.5 | -43.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 380 | L | 30.7 | Very low | 29.8 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | 168.3 | 100.8 | 108.6 | -88 | 161.7 | 0 | 0 | 0 | 113.9 | |||||
| 381 | N | 27.7 | Very low | 30 | Very low | 128 Ų | 128 | 155 Ų | 155 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | 43.6 | 125.9 | 126.4 | -62.5 | -0.6 | 0 | 0 | 0 | 122.8 | |||||
| 382 | H | 27.9 | Very low | 29.9 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | 52.8 | 114 | 139.9 | -64.5 | -66.4 | 0 | 0 | 0 | 120.3 | ||||
| 383 | I | 30.1 | Very low | 30 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | -164 | 148.1 | 99.5 | -93.6 | 153 | 0 | 0 | 0 | 110 | |||||
| 384 | S | 28.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -160 | 171.7 | 171.6 | -42.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 385 | P | 34.8 | Very low | 30.2 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -124.8 | -177.1 | -23.7 | 40.2 | -26.6 | 0 | 0 | 0 | 111.7 | ||||
| 386 | M | 28.5 | Very low | 30 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | -176.6 | 158.5 | 125.9 | -105.4 | 175.5 | -75.8 | 0 | 0 | 114 | |||||
| 387 | N | 25.7 | Very low | 29.9 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -76.8 | 159.6 | -179.7 | -51.1 | -46 | 0 | 0 | 0 | 112.7 | ||||
| 388 | L | 29.9 | Very low | 30.1 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | -160.1 | 100.6 | 127.4 | -134.7 | 73 | 0 | 0 | 0 | 112.6 | |||||
| 389 | D | 31 | Very low | 30.3 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -75.7 | 154 | 139.2 | -88.4 | -48.3 | 0 | 0 | 0 | 107.4 | ||||
| 390 | P | 34.9 | Very low | 30.3 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | cis | -147.4 | -176.1 | 40.4 | 43.8 | -25.4 | 0 | 0 | 0 | 116.3 | ||||
| 391 | Y | 35.5 | Very low | 30.4 | Very low | 231 Ų | 231 | 141.4 Ų | 141.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | -161.4 | 129 | 116.1 | -104.5 | -68.6 | 0 | 0 | 0 | 111.2 | |||||
| 392 | A | 30.1 | Very low | 30.4 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -144.3 | 157.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 393 | D | 31.1 | Very low | 30.7 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 47.8 | 127.5 | 166.6 | -65.6 | -37.4 | 0 | 0 | 0 | 120.2 | ||||
| 394 | V | 33.7 | Very low | 30.7 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | -148.4 | 134.7 | 107.8 | 166.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 395 | N | 29.5 | Very low | 30.9 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | trans | -95.9 | 172.8 | 173.4 | -73.9 | -82.4 | 0 | 0 | 0 | 111.7 | ||||
| 396 | T | 28.4 | Very low | 30.7 | Very low | 113 Ų | 113 | 150 Ų | 150 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | 114.4 | 118.6 | 135.5 | -41.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 397 | M | 29.9 | Very low | 31 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 77% | 0.768 | 80% | 0.796 | S | S | * | * | trans | 70.3 | 109.1 | 146.6 | -73 | 173.1 | -164.3 | 0 | 0 | 124.2 | ||||
| 398 | N | 28.6 | Very low | 31.2 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | 73.6 | 152.3 | 111.3 | -66.2 | -3.9 | 0 | 0 | 0 | 124.5 | |||||
| 399 | S | 32.6 | Very low | 31.3 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 83.9 | 115.7 | 152.8 | 25.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 400 | N | 27.9 | Very low | 31.3 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -47.7 | 153.8 | 163.1 | -38.6 | -31.8 | 0 | 0 | 0 | 113.6 | ||||
| 401 | V | 33.1 | Very low | 31.3 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | -166.4 | 148.8 | 113.8 | 138.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 402 | N | 27.6 | Very low | 31 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -74 | 151 | 171.5 | -71.3 | -22.1 | 0 | 0 | 0 | 110.6 | ||||
| 403 | E | 34.4 | Very low | 31.3 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | -160.5 | 145.8 | 124.8 | -114.2 | 162.6 | -147.9 | 0 | 0 | 111.8 | |||||
| 404 | N | 29.3 | Very low | 31.3 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -87.4 | 144.5 | 173.2 | -63.8 | -45.6 | 0 | 0 | 0 | 109.1 | ||||
| 405 | Y | 32.8 | Very low | 31.3 | Very low | 235 Ų | 235 | 142.4 Ų | 142.4 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -143.1 | 143 | 141 | -110.5 | -78.4 | 0 | 0 | 0 | 111.1 | ||||
| 406 | D | 30.4 | Very low | 31.4 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -116.7 | 145.5 | -175.7 | -177.9 | 17 | 0 | 0 | 0 | 108.6 | ||||
| 407 | Q | 34.8 | Very low | 31.5 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | 162.8 | 151.3 | 145.2 | -89.9 | 165.1 | 25.2 | 0 | 0 | 114 | ||||
| 408 | S | 30.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -89.9 | 168.3 | -175.9 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 409 | V | 30.7 | Very low | 31.9 | Very low | 142 Ų | 142 | 145 Ų | 145 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | -170 | 156.2 | 127 | 137.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 410 | T | 30.9 | Very low | 32 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -102.1 | 153 | -169.8 | 51 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 411 | S | 34.9 | Very low | 32.3 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -161.3 | 147.6 | 143 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 412 | L | 29.1 | Very low | 32.3 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -127.1 | -168.7 | -180 | -100 | 153 | 0 | 0 | 0 | 107.3 | ||||
| 413 | P | 36.9 | Very low | 32.6 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | -138.7 | -175.6 | -15.7 | 29.8 | -5.5 | 0 | 0 | 0 | 116.4 | ||||
| 414 | E | 31.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 75.4 | 141.6 | 136.2 | -90.2 | -175.3 | 148.6 | 0 | 0 | 126.6 | K416 | E414-K416 VanDerWaalsContact OE1-CE 3.24Å; E414-K416 WeakPolarHBondContact OE1-CE 3.29Å; E414-K416 IonicContact OE1-NZ 2.71Å; E414-K416 PolarHBondContact OE1-NZ 2.94Å | ||
| 415 | G | 32.7 | Very low | 32.4 | Very low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -173.6 | 137.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 416 | K | 31.9 | Very low | 32.4 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | -144.7 | 177.2 | -166.9 | -80.9 | 172.6 | 172.4 | 158.8 | 0 | 114 | E414 | E414-K416 VanDerWaalsContact OE1-CE 3.24Å; E414-K416 WeakPolarHBondContact OE1-CE 3.29Å; E414-K416 IonicContact OE1-NZ 2.71Å; E414-K416 PolarHBondContact OE1-NZ 2.94Å | ||
| 417 | T | 31.7 | Very low | 32.3 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 99.2 | 122.7 | 169.9 | 67.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 418 | L | 31.4 | Very low | 32 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | cis | 92.9 | 141.5 | 43.2 | -73.8 | 169.2 | 0 | 0 | 0 | 112.3 | ||||
| 419 | E | 34 | Very low | 32 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | cis | -147.6 | -178.4 | 16.8 | -54.1 | 174 | 146.8 | 0 | 0 | 113 | ||||
| 420 | R | 35.3 | Very low | 32 | Very low | 198 Ų | 198 | 139 Ų | 139 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | 73.8 | 152 | 154 | -62.9 | 179.3 | -146.2 | -152.7 | 0.3 | 120.8 | ||||
| 421 | D | 33.9 | Very low | 31.9 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | cis | -159.7 | 158.3 | -15.8 | -98.2 | -22.4 | 0 | 0 | 0 | 110.3 | ||||
| 422 | D | 33.2 | Very low | 31.7 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | 54.2 | 142.4 | 158.8 | -79.2 | -22.2 | 0 | 0 | 0 | 121.3 | ||||
| 423 | S | 34.3 | Very low | 31.9 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | -162.3 | 153.9 | 19 | 41 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 424 | I | 32 | Very low | 31.5 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | trans | 58.2 | 116.4 | 149 | -59.6 | 160.6 | 0 | 0 | 0 | 120.2 | ||||
| 425 | C | 27.7 | Very low | 31.5 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -107.8 | 162.6 | 156.8 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 426 | P | 32 | Very low | 31.5 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | -150.3 | 166.6 | 112.4 | 38.1 | -23.2 | 0 | 0 | 0 | 115.4 | |||||
| 427 | S | 29.4 | Very low | 31.8 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | cis | -172.3 | 159.9 | -31 | 69.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 428 | K | 28.9 | Very low | 32.3 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | 61.3 | 95.4 | 155.4 | -64.8 | 169.3 | 180 | 174 | 0 | 119.3 | ||||
| 429 | L | 28.7 | Very low | 33.1 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | 169 | 131.7 | 133.8 | -91.9 | 160.8 | 0 | 0 | 0 | 107.1 | ||||
| 430 | M | 31.6 | Very low | 34 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 83% | 0.828 | 75% | 0.754 | S | S | * | * | cis | -149.7 | 159.5 | -5.1 | -158.4 | 165.2 | -174.3 | 0 | 0 | 108.4 | ||||
| 431 | N | 29.2 | Very low | 35.5 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -65.4 | 135.4 | -164.9 | -64.3 | -8.4 | 0 | 0 | 0 | 114.8 | S433 | N431-S433 PolarHBondContact O-N 3.02Š| ||
| 432 | F | 30.5 | Very low | 37.8 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 82% | 0.82 | 73% | 0.733 | S | S | * | * | trans | -71.2 | 120.2 | 156 | -98.6 | -100.5 | 0 | 0 | 0 | 109.7 | ||||
| 433 | S | 32.7 | Very low | 40.4 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | trans | -88.3 | 109.8 | 161.4 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | N431 S435 | N431-S433 PolarHBondContact O-N 3.02Å; S433-S435 PolarHBondContact O-N 3.22Å; S433-S435 VanDerWaalsContact O-N 3.1Å | ||
| 434 | Q | 28.4 | Very low | 43 | Very low | 191 Ų | 191 | 127.8 Ų | 127.8 | 89% | 0.893 | 69% | 0.693 | S | S | * | * | trans | -72.2 | 94.8 | 165.5 | -74.9 | 178.6 | -30.3 | 0 | 0 | 108.8 | ||||
| 435 | S | 31.9 | Very low | 45.9 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | trans | -84 | 128.9 | 164.2 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | S433 D437 | S433-S435 PolarHBondContact O-N 3.22Å; S433-S435 VanDerWaalsContact O-N 3.1Å; S435-D437 VanDerWaalsContact C-N 3.26Å; S435-D437 PolarHBondContact O-N 3Å | ||
| 436 | V | 33.8 | Very low | 49 | Very low | 148 Ų | 148 | 115 Ų | 115 | 90% | 0.897 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -78.9 | 77.5 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 437 | D | 37.4 | Very low | 51.9 | Low | 136 Ų | 136 | 109.4 Ų | 109.4 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -154.4 | 138.1 | 166.8 | -105.1 | -42.3 | 0 | 0 | 0 | 110.1 | S435 T439 | S435-D437 VanDerWaalsContact C-N 3.26Å; S435-D437 PolarHBondContact O-N 3Å; D437-T439 PolarHBondContact O-N 3.45Å |
| 438 | G | 42.6 | Very low | 55.1 | Low | 82 Ų | 82 | 105.6 Ų | 105.6 | 85% | 0.845 | 56% | 0.555 | S | S | * | * | trans | -77.5 | 18.6 | -167 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 439 | T | 46.7 | Very low | 58.2 | Low | 105 Ų | 105 | 96.6 Ų | 96.6 | 64% | 0.644 | 52% | 0.516 | S | S | * | . | trans | -88 | 120.9 | -174.8 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | D437 K441 | D437-T439 PolarHBondContact O-N 3.45Å; T439-K441 PolarHBondContact O-N 3.32Å | ||
| 440 | P | 53.2 | Low | 61.4 | Low | 85 Ų | 85 | 91.7 Ų | 91.7 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | trans | -64.5 | 135.7 | 176.6 | 25.9 | -33.3 | 0 | 0 | 0 | 111.1 | W442 | P440-W442 VanDerWaalsContact O-CD1 3.24Å; P440-W442 PolarHBondContact O-N 3.09Å | ||
| 441 | K | 67.4 | Low | 64.5 | Low | 111 Ų | 111 | 83.8 Ų | 83.8 | 48% | 0.483 | 45% | 0.45 | S | S | . | . | trans | -84.7 | 90.3 | 178.5 | -71.9 | 178.5 | -178.9 | 170.3 | 0 | 110.2 | T439 | T439-K441 PolarHBondContact O-N 3.32Š| ||
| 442 | W | 82.8 | Confident | 67.6 | Low | 137 Ų | 137 | 79.3 Ų | 79.3 | 52% | 0.519 | 42% | 0.421 | S | S | . | . | trans | -61.9 | 135.9 | 174.5 | -65 | 71.8 | 0 | 0 | 0 | 110.8 | P440 A507 T602 H603 | P440-W442 VanDerWaalsContact O-CD1 3.24Å; P440-W442 PolarHBondContact O-N 3.09Å; W442-A507 HydrophobicContact CE3-CB 3.85Å; W442-A507 HydrophobicContact CZ3-CB 4.48Å; W442-A507 WeakPolarHBondContact CZ3-O 3.17Å; W442-T602 WeakPolarHBondContact O-CA 3.47Å; W442-H603 HydrophobicContact CB-CB 4.47Å; W442-H603 PolarHBondContact O-N 2.94Å | ||
| 443 | R | 87.3 | Confident | 70.6 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 25% | 0.245 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.8 | 170.3 | -64.7 | 177.2 | 76.7 | 153.1 | -1.2 | 109.6 | Y445 A507 A508 P510 D599 G601 T602 | R443-Y445 HydrophobicContact CB-CD2 4.43Å; R443-Y445 HydrophobicContact CB-CE2 3.7Å; R443-Y445 WeakPolarHBondContact O-CD2 3.29Å; R443-A507 VanDerWaalsContact O-CA 3.24Å; R443-A507 WeakPolarHBondContact O-CA 3.3Å; R443-A508 PolarHBondContact N-O 3.32Å; R443-A508 PolarHBondContact O-N 2.83Å; R443-P510 HydrophobicContact CG-CG 4.44Å; R443-D599 VanDerWaalsContact CZ-CG 3.42Å; R443-D599 IonicContact CZ-OD1 3.7Å; R443-D599 IonicContact CZ-OD2 2.6Å; R443-D599 VanDerWaalsContact NE-CG 3.32Å; R443-D599 IonicContact NE-OD1 3.47Å; R443-D599 PolarHBondContact NE-OD1 3.01Å; R443-D599 IonicContact NE-OD2 2.7Å; R443-D599 PolarHBondContact NE-OD2 2.8Å; R443-D599 IonicContact NH1-OD2 2.7Å; R443-D599 IonicContact NH2-OD1 3.49Å; R443-D599 PolarHBondContact NH2-OD1 3.19Å; R443-D599 IonicContact NH2-OD2 2.68Å; R443-D599 PolarHBondContact NH2-OD2 2.98Å; R443-D599 VanDerWaalsContact NH2-OD2 3.08Å; R443-G601 WeakPolarHBondContact CA-O 3.48Å; R443-G601 VanDerWaalsContact CB-O 3.26Å; R443-G601 WeakPolarHBondContact CB-O 3.21Å; R443-T602 HydrophobicContact CG-CG2 4.32Å |
| 444 | R | 89.6 | Confident | 73.5 | Confident | 106 Ų | 106 | 66.5 Ų | 66.5 | 40% | 0.4 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.3 | 173.7 | 176 | 177.1 | 169 | -156.5 | -1.8 | 109.2 | E505 F600 G601 | R444-E505 IonicContact CZ-OE2 3.57Å; R444-E505 IonicContact NE-OE2 2.69Å; R444-E505 PolarHBondContact NE-OE2 3.16Å; R444-E505 IonicContact NH2-OE1 2.77Å; R444-E505 PolarHBondContact NH2-OE1 3.36Å; R444-E505 IonicContact NH2-OE2 3.9Å; R444-E505 PolarHBondContact NH2-OE2 2.73Å; R444-F600 HydrophobicContact CB-CB 4.18Å; R444-F600 HydrophobicContact CG-CB 4.36Å; R444-F600 HydrophobicContact CG-CD2 4.03Å; R444-F600 HydrophobicContact CG-CG 4.47Å; R444-F600 PolarHBondContact O-N 3.39Å; R444-G601 PolarHBondContact N-O 3.21Å; R444-G601 VanDerWaalsContact N-O 3.09Å |
| 445 | Y | 91.6 | Very high | 76.6 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.1 | 179.2 | -70.7 | -75.1 | 0 | 0 | 0 | 110.6 | R443 E505 F506 A508 L513 L597 E598 D599 | R443-Y445 HydrophobicContact CB-CD2 4.43Å; R443-Y445 HydrophobicContact CB-CE2 3.7Å; R443-Y445 WeakPolarHBondContact O-CD2 3.29Å; Y445-E505 WeakPolarHBondContact O-CA 3.45Å; Y445-F506 HydrophobicContact CD2-CE2 4.15Å; Y445-F506 HydrophobicContact CG-CE2 4.23Å; Y445-F506 PolarHBondContact N-O 3.18Å; Y445-F506 PolarHBondContact O-N 3.32Å; Y445-A508 HydrophobicContact CD2-CB 4.4Å; Y445-L513 HydrophobicContact CD1-CD2 4.03Å; Y445-L513 HydrophobicContact CD2-CD2 3.56Å; Y445-L513 HydrophobicContact CE1-CD2 4.08Å; Y445-L513 HydrophobicContact CE2-CD2 3.64Å; Y445-L513 HydrophobicContact CG-CD2 3.77Å; Y445-L597 HydrophobicContact CD1-CD1 3.54Å; Y445-L597 HydrophobicContact CD1-CD2 4.49Å; Y445-L597 HydrophobicContact CD1-CG 4.15Å; Y445-L597 HydrophobicContact CE1-CD1 4.3Å; Y445-L597 HydrophobicContact CE1-CD2 4.48Å; Y445-L597 HydrophobicContact CG-CD1 4.21Å; Y445-E598 CarbonylContact C-O 3.55Å; Y445-E598 VanDerWaalsContact CA-O 3.27Å; Y445-E598 WeakPolarHBondContact CA-O 3.49Å; Y445-D599 HydrophobicContact CD1-CB 3.93Å; Y445-D599 HydrophobicContact CE1-CB 3.52Å; Y445-D599 WeakPolarHBondContact CE1-OD2 3.37Å; Y445-D599 VanDerWaalsContact CZ-OD2 3.31Å; Y445-D599 PolarHBondContact OH-OD2 3.39Å |
| 446 | C | 93 | Very high | 79.2 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.081 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.4 | 155.5 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | F504 E505 E598 F600 | C446-F504 CarbonylContact C-O 3.54Å; C446-F504 WeakPolarHBondContact CA-O 3.43Å; C446-E505 HydrophobicContact CB-CG 4.09Å; C446-E598 HydrophobicContact CB-CB 4.21Å; C446-E598 PolarHBondContact N-O 3.05Å; C446-E598 PolarHBondContact O-N 2.66Å; C446-F600 HydrophobicContact CB-CE2 3.7Å; C446-F600 HydrophobicContact CB-CZ 4.28Å |
| 447 | Y | 94.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114 | 174.8 | -158.3 | -59.8 | 0 | 0 | 0 | 108.8 | I449 F475 F504 L517 L547 V550 L595 L597 | Y447-I449 HydrophobicContact CD1-CG1 3.98Å; Y447-I449 HydrophobicContact CE1-CG1 3.94Å; Y447-F475 AromaticContact CD1-CE2 3.93Å; Y447-F475 HydrophobicContact CD1-CE2 3.93Å; Y447-F475 AromaticContact CD1-CZ 3.82Å; Y447-F475 HydrophobicContact CD1-CZ 3.82Å; Y447-F475 HydrophobicContact CD2-CE1 4.12Å; Y447-F475 HydrophobicContact CD2-CE2 4.49Å; Y447-F475 AromaticContact CD2-CZ 3.6Å; Y447-F475 HydrophobicContact CD2-CZ 3.6Å; Y447-F475 HydrophobicContact CE1-CZ 4.38Å; Y447-F475 HydrophobicContact CE2-CZ 4.18Å; Y447-F475 HydrophobicContact CG-CE1 4.16Å; Y447-F475 AromaticContact CG-CE2 3.9Å; Y447-F475 HydrophobicContact CG-CE2 3.9Å; Y447-F475 AromaticContact CG-CZ 3.42Å; Y447-F475 HydrophobicContact CG-CZ 3.42Å; Y447-F475 VanDerWaalsContact CG-CZ 3.42Å; Y447-F504 PolarHBondContact N-O 2.96Å; Y447-F504 PolarHBondContact O-N 2.85Å; Y447-L517 HydrophobicContact CD2-CD1 4.06Å; Y447-L517 HydrophobicContact CE2-CD1 3.5Å; Y447-L517 VanDerWaalsContact CE2-CD1 3.5Å; Y447-L547 HydrophobicContact CE1-CD2 4.03Å; Y447-L547 WeakPolarHBondContact OH-CA 3.03Å; Y447-L547 PolarHBondContact OH-O 3.31Å; Y447-V550 HydrophobicContact CE2-CG1 3.75Å; Y447-V550 WeakPolarHBondContact OH-CG1 3.44Å; Y447-L595 HydrophobicContact CE1-CB 4.05Å; Y447-L595 HydrophobicContact CE1-CD2 4.09Å; Y447-L595 WeakPolarHBondContact OH-CD1 3.37Å; Y447-L597 HydrophobicContact CD2-CD1 3.78Å; Y447-L597 HydrophobicContact CE2-CD1 4.43Å; Y447-L597 HydrophobicContact CG-CD1 4.42Å |
| 448 | T | 94.6 | Very high | 83.9 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.2 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | F501 C502 A503 L595 Q596 | T448-F501 HydrophobicContact CG2-CD2 3.97Å; T448-F501 HydrophobicContact CG2-CE1 4.38Å; T448-F501 HydrophobicContact CG2-CE2 3.36Å; T448-F501 HydrophobicContact CG2-CZ 3.6Å; T448-C502 CarbonylContact C-O 3.56Å; T448-C502 WeakPolarHBondContact CA-O 3.38Å; T448-A503 HydrophobicContact CG2-CB 4.47Å; T448-L595 WeakPolarHBondContact O-CA 3.38Å; T448-Q596 PolarHBondContact N-O 3.48Å; T448-Q596 PolarHBondContact O-N 3.46Å |
| 449 | I | 95.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127 | 172.3 | -63.4 | 158.3 | 0 | 0 | 0 | 107.4 | Y447 L451 Y470 F475 C502 F504 L522 L547 L595 | Y447-I449 HydrophobicContact CD1-CG1 3.98Å; Y447-I449 HydrophobicContact CE1-CG1 3.94Å; I449-L451 HydrophobicContact CG2-CD2 4.11Å; I449-Y470 HydrophobicContact CD1-CE2 4.17Å; I449-Y470 HydrophobicContact CG2-CE1 4.35Å; I449-F475 HydrophobicContact CD1-CE2 3.9Å; I449-C502 PolarHBondContact N-O 3.43Å; I449-C502 PolarHBondContact O-N 3.18Å; I449-C502 VanDerWaalsContact O-O 3.12Å; I449-F504 HydrophobicContact CD1-CD2 4.36Å; I449-F504 HydrophobicContact CD1-CE2 3.98Å; I449-L522 HydrophobicContact CD1-CD2 3.75Å; I449-L522 HydrophobicContact CG1-CD2 4.41Å; I449-L522 HydrophobicContact CG2-CD2 4.06Å; I449-L547 HydrophobicContact CD1-CD2 4.35Å; I449-L547 HydrophobicContact CG1-CD2 4.3Å; I449-L595 HydrophobicContact CB-CD2 4.45Å; I449-L595 HydrophobicContact CG1-CD2 3.97Å; I449-L595 HydrophobicContact CG2-CD2 4.33Å |
| 450 | E | 95.9 | Very high | 87 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 106.1 | 175.7 | -178 | -169.4 | -124.2 | 0 | 0 | 108.9 | R452 G500 F501 Y593 S594 | E450-R452 HydrophobicContact CG-CG 3.71Å; E450-R452 PolarHBondContact O-N 3.1Å; E450-R452 VanDerWaalsContact OE2-CD 3.31Å; E450-R452 WeakPolarHBondContact OE2-CD 3.23Å; E450-R452 VanDerWaalsContact OE2-CG 3.31Å; E450-R452 WeakPolarHBondContact OE2-CG 3.27Å; E450-R452 IonicContact OE2-CZ 3.27Å; E450-R452 IonicContact OE2-NE 2.67Å; E450-R452 IonicContact OE2-NH1 3.06Å; E450-R452 PolarHBondContact OE2-NH1 3.33Å; E450-G500 CarbonylContact C-O 3.52Å; E450-G500 WeakPolarHBondContact CA-O 3.49Å; E450-F501 HydrophobicContact CB-CD2 4.37Å; E450-F501 HydrophobicContact CG-CB 4.49Å; E450-F501 HydrophobicContact CG-CD2 4.4Å; E450-Y593 CarbonylContact O-C 3.59Å; E450-Y593 VanDerWaalsContact O-CA 3.28Å; E450-Y593 WeakPolarHBondContact O-CA 3.4Å; E450-S594 PolarHBondContact N-O 3.41Å; E450-S594 PolarHBondContact O-N 3.48Å; E450-S594 VanDerWaalsContact OE2-CB 3.23Å; E450-S594 WeakPolarHBondContact OE2-CB 3.17Å |
| 451 | L | 96.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 104.3 | 168.2 | -53.4 | -171.6 | 0 | 0 | 0 | 107.5 | I449 A468 Y470 T483 L497 G500 V524 I545 L591 | I449-L451 HydrophobicContact CG2-CD2 4.11Å; L451-A468 HydrophobicContact CD1-CB 4.12Å; L451-Y470 HydrophobicContact CD1-CD1 3.89Å; L451-Y470 HydrophobicContact CD1-CE1 3.97Å; L451-Y470 HydrophobicContact CG-CE1 4.23Å; L451-T483 HydrophobicContact CD1-CG2 4.12Å; L451-L497 HydrophobicContact CB-CD1 4.09Å; L451-G500 PolarHBondContact N-O 3.44Å; L451-V524 HydrophobicContact CD1-CG1 3.77Å; L451-V524 HydrophobicContact CD1-CG2 4.4Å; L451-V524 HydrophobicContact CD2-CG2 4.18Å; L451-I545 HydrophobicContact CD2-CD1 3.92Å; L451-L591 HydrophobicContact CB-CD1 4.43Å; L451-L591 HydrophobicContact CD2-CD1 4.49Å; L451-L591 HydrophobicContact CD2-CD2 4.25Å |
| 452 | R | 94.2 | Very high | 88.4 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 25% | 0.249 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -55.1 | -170.1 | -81.8 | -168.3 | -82.6 | -112.9 | -0.1 | 112.7 | E450 I496 L497 N570 V592 Y593 S594 | E450-R452 HydrophobicContact CG-CG 3.71Å; E450-R452 PolarHBondContact O-N 3.1Å; E450-R452 VanDerWaalsContact OE2-CD 3.31Å; E450-R452 WeakPolarHBondContact OE2-CD 3.23Å; E450-R452 VanDerWaalsContact OE2-CG 3.31Å; E450-R452 WeakPolarHBondContact OE2-CG 3.27Å; E450-R452 IonicContact OE2-CZ 3.27Å; E450-R452 IonicContact OE2-NE 2.67Å; E450-R452 IonicContact OE2-NH1 3.06Å; E450-R452 PolarHBondContact OE2-NH1 3.33Å; R452-I496 CarbonylContact O-C 3.56Å; R452-I496 VanDerWaalsContact O-CA 3.31Å; R452-I496 WeakPolarHBondContact O-CA 3.41Å; R452-I496 WeakPolarHBondContact O-CG2 3.46Å; R452-L497 PolarHBondContact O-N 3.29Å; R452-N570 PolarHBondContact NH1-OD1 3.29Å; R452-N570 VanDerWaalsContact NH2-CB 3.33Å; R452-N570 PolarHBondContact NH2-OD1 2.84Å; R452-V592 PolarHBondContact N-O 3.29Å; R452-Y593 PolarHBondContact NH2-O 2.89Å; R452-S594 PolarHBondContact NH1-OG 2.91Å; R452-S594 PolarHBondContact NH2-OG 3.26Å |
| 453 | S | 94.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 158.2 | -171.5 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | E494 V495 V592 | S453-E494 VanDerWaalsContact CB-OE1 3.32Å; S453-E494 WeakPolarHBondContact CB-OE1 3.42Å; S453-E494 PolarHBondContact OG-OE1 3.5Å; S453-V495 CarbonylContact C-O 3.56Å; S453-V495 WeakPolarHBondContact CA-O 3.41Å; S453-V495 VanDerWaalsContact CB-O 3.26Å; S453-V495 WeakPolarHBondContact CB-O 3.34Å; S453-V592 PolarHBondContact N-O 3.49Å; S453-V592 PolarHBondContact O-N 3.24Å; S453-V592 WeakPolarHBondContact OG-CB 3.41Å |
| 454 | V | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138.1 | 168.2 | -74.3 | 0 | 0 | 0 | 0 | 109.6 | I457 L466 I489 E494 V495 L497 F526 M575 Q590 L591 | V454-I457 HydrophobicContact CB-CD1 3.81Å; V454-I457 HydrophobicContact CG2-CD1 3.77Å; V454-L466 HydrophobicContact CG2-CD2 4.32Å; V454-I489 HydrophobicContact CG2-CD1 3.51Å; V454-E494 CarbonylContact O-C 3.58Å; V454-E494 WeakPolarHBondContact O-CA 3.49Å; V454-V495 PolarHBondContact N-O 3.02Å; V454-V495 PolarHBondContact O-N 2.96Å; V454-L497 HydrophobicContact CG1-CD1 4.09Å; V454-L497 HydrophobicContact CG1-CG 4.49Å; V454-L497 HydrophobicContact CG2-CD2 4.08Å; V454-L497 HydrophobicContact CG2-CG 4.45Å; V454-F526 HydrophobicContact CG1-CE1 3.83Å; V454-F526 HydrophobicContact CG1-CZ 4.29Å; V454-M575 HydrophobicContact CB-SD 4.31Å; V454-M575 HydrophobicContact CG1-SD 3.85Å; V454-Q590 CarbonylContact C-O 3.44Å; V454-Q590 VanDerWaalsContact CA-O 3.28Å; V454-Q590 WeakPolarHBondContact CA-O 3.47Å; V454-L591 HydrophobicContact CG1-CD1 3.94Å |
| 455 | K | 91.8 | Very high | 88.1 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 166.4 | -175 | 66.2 | -172.8 | 177.2 | 179.2 | 0 | 110.9 | I457 E494 D572 Q590 V592 | K455-I457 PolarHBondContact O-N 3.08Å; K455-I457 VanDerWaalsContact O-N 3.1Å; K455-E494 HydrophobicContact CB-CB 3.89Å; K455-E494 HydrophobicContact CB-CG 3.98Å; K455-D572 WeakPolarHBondContact CE-OD2 3.14Å; K455-D572 IonicContact NZ-OD1 2.61Å; K455-D572 PolarHBondContact NZ-OD1 3.27Å; K455-D572 IonicContact NZ-OD2 2.92Å; K455-D572 PolarHBondContact NZ-OD2 2.87Å; K455-Q590 HydrophobicContact CD-CB 4.41Å; K455-Q590 HydrophobicContact CG-CB 3.77Å; K455-Q590 PolarHBondContact N-O 2.89Å; K455-Q590 PolarHBondContact O-N 3.06Å; K455-V592 HydrophobicContact CD-CG2 3.83Å; K455-V592 HydrophobicContact CG-CG2 4.42Å |
| 456 | N | 86.6 | Confident | 88 | Confident | 68 Ų | 68 | 43.6 Ų | 43.6 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 58.8 | 21.7 | 172.5 | -62.7 | -29.8 | 0 | 0 | 0 | 115.8 | Q458 Q590 | N456-Q458 WeakPolarHBondContact O-CG 3.32Å; N456-Q458 PolarHBondContact O-N 3.36Å; N456-Q458 PolarHBondContact O-NE2 2.91Å; N456-Q458 VanDerWaalsContact O-NE2 3.11Å; N456-Q590 PolarHBondContact ND2-OE1 3.31Å |
| 457 | I | 87.1 | Confident | 88.1 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | trans | -66.4 | 131.5 | -175.7 | -72.6 | 167.2 | 0 | 0 | 0 | 112.1 | V454 K455 F460 L464 L466 I489 M575 I588 | V454-I457 HydrophobicContact CB-CD1 3.81Å; V454-I457 HydrophobicContact CG2-CD1 3.77Å; K455-I457 PolarHBondContact O-N 3.08Å; K455-I457 VanDerWaalsContact O-N 3.1Å; I457-F460 HydrophobicContact CG2-CD2 4.35Å; I457-L464 HydrophobicContact CG2-CD1 3.98Å; I457-L466 HydrophobicContact CD1-CD1 4.1Å; I457-I489 HydrophobicContact CB-CG2 4.26Å; I457-I489 HydrophobicContact CD1-CD1 3.68Å; I457-I489 HydrophobicContact CD1-CG2 4.02Å; I457-I489 HydrophobicContact CG2-CG2 4.45Å; I457-M575 HydrophobicContact CD1-CE 4.19Å; I457-M575 HydrophobicContact CD1-SD 4.44Å; I457-M575 HydrophobicContact CG1-CE 4.35Å; I457-M575 HydrophobicContact CG1-SD 4.39Å; I457-I588 CarbonylContact C-O 3.54Å; I457-I588 VanDerWaalsContact CA-O 3.24Å; I457-I588 WeakPolarHBondContact CA-O 3.42Å | ||
| 458 | Q | 83.7 | Confident | 88.1 | Confident | 102 Ų | 102 | 43.4 Ų | 43.4 | 48% | 0.477 | 22% | 0.222 | S | C | . | . | trans | -144.1 | 151.6 | -170.8 | -74.2 | 168.5 | 68.9 | 0 | 0 | 112.3 | N456 F460 I588 | N456-Q458 WeakPolarHBondContact O-CG 3.32Å; N456-Q458 PolarHBondContact O-N 3.36Å; N456-Q458 PolarHBondContact O-NE2 2.91Å; N456-Q458 VanDerWaalsContact O-NE2 3.11Å; Q458-F460 WeakPolarHBondContact O-CD2 3.35Å; Q458-F460 VanDerWaalsContact O-CE2 3.27Å; Q458-F460 WeakPolarHBondContact O-CE2 3.45Å; Q458-I588 PolarHBondContact N-O 2.84Å | ||
| 459 | G | 76.7 | Confident | 88.1 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 55% | 0.546 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 106 | 7.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 460 | F | 77.8 | Confident | 88.1 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | trans | -123.1 | 133.6 | -175.9 | -54.1 | -85.2 | 0 | 0 | 0 | 110.7 | I457 Q458 L464 R491 I540 I588 | I457-F460 HydrophobicContact CG2-CD2 4.35Å; Q458-F460 WeakPolarHBondContact O-CD2 3.35Å; Q458-F460 VanDerWaalsContact O-CE2 3.27Å; Q458-F460 WeakPolarHBondContact O-CE2 3.45Å; F460-L464 HydrophobicContact CB-CD1 4.25Å; F460-L464 HydrophobicContact CB-CD2 4.08Å; F460-L464 HydrophobicContact CB-CG 4.13Å; F460-L464 HydrophobicContact CD1-CD1 4.5Å; F460-L464 HydrophobicContact CD1-CD2 3.96Å; F460-L464 HydrophobicContact CD2-CD1 3.69Å; F460-L464 HydrophobicContact CD2-CG 4.46Å; F460-L464 HydrophobicContact CE2-CD1 4.22Å; F460-L464 HydrophobicContact CG-CD1 3.86Å; F460-L464 HydrophobicContact CG-CD2 3.92Å; F460-L464 HydrophobicContact CG-CG 4.16Å; F460-R491 PolarHBondContact O-NE 3.35Å; F460-R491 VanDerWaalsContact O-NE 3.15Å; F460-R491 PolarHBondContact O-NH2 3.26Å; F460-I540 HydrophobicContact CE1-CG2 3.86Å; F460-I540 HydrophobicContact CE2-CG2 4Å; F460-I540 HydrophobicContact CZ-CG2 3.34Å; F460-I588 HydrophobicContact CE2-CB 4.43Å; F460-I588 HydrophobicContact CE2-CG2 4.49Å; F460-I588 HydrophobicContact CZ-CG2 4.48Å | ||
| 461 | D | 72.7 | Confident | 87.9 | Confident | 154 Ų | 154 | 47.2 Ų | 47.2 | 82% | 0.824 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -91.6 | -6.8 | -174.1 | -75.4 | -39.2 | 0 | 0 | 0 | 114.9 | R491 | D461-R491 IonicContact OD1-CZ 2.7Å; D461-R491 IonicContact OD1-NH2 2.61Å; D461-R491 PolarHBondContact OD1-NH2 2.97Å |
| 462 | H | 76.4 | Confident | 87.6 | Confident | 96 Ų | 96 | 47.7 Ų | 47.7 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -113.4 | 169.3 | 169.8 | 62.1 | -74.5 | 0 | 0 | 0 | 111.6 | L464 D528 S530 | H462-L464 PolarHBondContact O-N 2.93Å; H462-D528 IonicContact CD2-OD2 3.09Å; H462-D528 IonicContact CE1-OD2 2.71Å; H462-D528 IonicContact NE2-OD2 3.08Å; H462-D528 PolarHBondContact NE2-OD2 2.71Å; H462-S530 PolarHBondContact NE2-OG 3.04Å |
| 463 | E | 78.5 | Confident | 87.2 | Confident | 120 Ų | 120 | 48.7 Ų | 48.7 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | trans | -76.6 | 115.4 | 171.3 | -175.2 | 168.8 | -142.7 | 0 | 0 | 109.5 | A488 | E463-A488 HydrophobicContact CG-CB 4.19Š| ||
| 464 | L | 84.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 134.5 | -179.6 | -65.5 | 172.1 | 0 | 0 | 0 | 110.6 | I457 F460 H462 L466 A488 I489 D528 I540 | I457-L464 HydrophobicContact CG2-CD1 3.98Å; F460-L464 HydrophobicContact CB-CD1 4.25Å; F460-L464 HydrophobicContact CB-CD2 4.08Å; F460-L464 HydrophobicContact CB-CG 4.13Å; F460-L464 HydrophobicContact CD1-CD1 4.5Å; F460-L464 HydrophobicContact CD1-CD2 3.96Å; F460-L464 HydrophobicContact CD2-CD1 3.69Å; F460-L464 HydrophobicContact CD2-CG 4.46Å; F460-L464 HydrophobicContact CE2-CD1 4.22Å; F460-L464 HydrophobicContact CG-CD1 3.86Å; F460-L464 HydrophobicContact CG-CD2 3.92Å; F460-L464 HydrophobicContact CG-CG 4.16Å; H462-L464 PolarHBondContact O-N 2.93Å; L464-L466 HydrophobicContact CB-CB 4.44Å; L464-L466 PolarHBondContact O-N 2.93Å; L464-A488 CarbonylContact O-C 3.59Å; L464-A488 VanDerWaalsContact O-CA 3.27Å; L464-A488 WeakPolarHBondContact O-CA 3.23Å; L464-I489 PolarHBondContact O-N 3.39Å; L464-D528 HydrophobicContact CD2-CB 3.99Å; L464-I540 HydrophobicContact CD1-CD1 4.44Å; L464-I540 HydrophobicContact CD2-CD1 4.45Å |
| 465 | Q | 89.8 | Confident | 86.3 | Confident | 62 Ų | 62 | 52 Ų | 52 | 29% | 0.29 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 78.6 | 165 | -66 | -62.9 | -30.3 | 0 | 0 | 107.9 | P486 D528 R529 | Q465-P486 HydrophobicContact CB-CB 4.23Å; Q465-P486 WeakPolarHBondContact O-CB 3.18Å; Q465-D528 PolarHBondContact N-OD1 2.98Å; Q465-R529 HydrophobicContact CB-CB 4.46Å; Q465-R529 PolarHBondContact O-N 2.75Å |
| 466 | L | 91.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 138.3 | -167.6 | 179.6 | 148.2 | 0 | 0 | 0 | 112.1 | V454 I457 L464 P486 I487 I489 L497 F526 F527 I540 M575 | V454-L466 HydrophobicContact CG2-CD2 4.32Å; I457-L466 HydrophobicContact CD1-CD1 4.1Å; L464-L466 HydrophobicContact CB-CB 4.44Å; L464-L466 PolarHBondContact O-N 2.93Å; L466-P486 CarbonylContact O-C 3.51Å; L466-P486 WeakPolarHBondContact O-CA 3.27Å; L466-I487 PolarHBondContact N-O 2.98Å; L466-I487 PolarHBondContact O-N 3.04Å; L466-I489 HydrophobicContact CB-CD1 3.66Å; L466-I489 HydrophobicContact CB-CG1 4.2Å; L466-I489 HydrophobicContact CD1-CD1 3.97Å; L466-I489 HydrophobicContact CD2-CD1 3.89Å; L466-I489 HydrophobicContact CG-CD1 4.05Å; L466-L497 HydrophobicContact CD2-CD2 3.88Å; L466-F526 HydrophobicContact CD1-CB 4.36Å; L466-F526 HydrophobicContact CD1-CD1 4.17Å; L466-F526 HydrophobicContact CD2-CD1 4.01Å; L466-F526 HydrophobicContact CG-CD1 4.38Å; L466-F527 VanDerWaalsContact CA-O 3.31Å; L466-F527 WeakPolarHBondContact CA-O 3.27Å; L466-I540 HydrophobicContact CB-CD1 4.42Å; L466-I540 HydrophobicContact CD1-CD1 3.7Å; L466-I540 HydrophobicContact CG-CD1 4.08Å; L466-M575 HydrophobicContact CD1-CE 4.44Å |
| 467 | Y | 93.9 | Very high | 84.7 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 157.6 | 157.4 | 74.7 | -83.6 | 0 | 0 | 0 | 111.4 | R469 M482 L484 P486 F526 F527 D537 | Y467-R469 HydrophobicContact CE2-CB 4.4Å; Y467-M482 HydrophobicContact CD2-CB 4.47Å; Y467-M482 HydrophobicContact CE2-CG 4.46Å; Y467-M482 HydrophobicContact CE2-SD 4.13Å; Y467-L484 HydrophobicContact CD1-CD2 4.03Å; Y467-L484 HydrophobicContact CD2-CD2 3.91Å; Y467-L484 HydrophobicContact CD2-CG 4.42Å; Y467-L484 HydrophobicContact CE1-CD2 4.44Å; Y467-L484 HydrophobicContact CE2-CD2 4.35Å; Y467-L484 HydrophobicContact CG-CD2 3.74Å; Y467-P486 HydrophobicContact CD1-CB 4.32Å; Y467-P486 HydrophobicContact CD1-CG 3.94Å; Y467-F526 WeakPolarHBondContact O-CA 3.39Å; Y467-F527 HydrophobicContact CD1-CB 3.98Å; Y467-F527 HydrophobicContact CE1-CB 3.44Å; Y467-F527 VanDerWaalsContact CE1-CB 3.44Å; Y467-F527 HydrophobicContact CE1-CG 4.34Å; Y467-F527 HydrophobicContact CE2-CB 4.25Å; Y467-F527 HydrophobicContact CE2-CD2 4.22Å; Y467-F527 AromaticContact CZ-CG 3.98Å; Y467-F527 PolarHBondContact N-O 2.92Å; Y467-F527 PolarHBondContact O-N 3.36Å; Y467-D537 PolarHBondContact OH-OD2 2.67Å; Y467-D537 VanDerWaalsContact OH-OD2 3.13Å |
| 468 | A | 94.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 148.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L451 M482 T483 L497 V524 E525 F526 | L451-A468 HydrophobicContact CD1-CB 4.12Å; A468-M482 CarbonylContact O-C 3.59Å; A468-M482 VanDerWaalsContact O-CA 3.31Å; A468-M482 WeakPolarHBondContact O-CA 3.26Å; A468-T483 HydrophobicContact CB-CG2 3.97Å; A468-T483 PolarHBondContact N-OG1 3.39Å; A468-T483 PolarHBondContact O-N 3.5Å; A468-L497 HydrophobicContact CB-CD1 4.15Å; A468-V524 HydrophobicContact CB-CG1 3.92Å; A468-E525 CarbonylContact C-O 3.56Å; A468-E525 VanDerWaalsContact CA-O 3.25Å; A468-E525 WeakPolarHBondContact CA-O 3.26Å; A468-F526 HydrophobicContact CB-CD1 3.74Å; A468-F526 HydrophobicContact CB-CE1 3.63Å |
| 469 | R | 94.4 | Very high | 84.1 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 139.7 | 179.8 | 179.1 | 177.8 | 79.5 | 174.9 | 6 | 110.2 | Y467 P480 V481 M482 E525 F527 | Y467-R469 HydrophobicContact CE2-CB 4.4Å; R469-P480 HydrophobicContact CG-CB 4.08Å; R469-V481 CarbonylContact C-O 3.47Å; R469-V481 VanDerWaalsContact CA-O 3.32Å; R469-V481 WeakPolarHBondContact CA-O 3.47Å; R469-M482 HydrophobicContact CB-CG 4.11Å; R469-M482 HydrophobicContact CG-CG 3.88Å; R469-M482 HydrophobicContact CG-SD 4.45Å; R469-E525 IonicContact CZ-OE2 3.13Å; R469-E525 PolarHBondContact N-O 2.81Å; R469-E525 IonicContact NE-OE2 2.65Å; R469-E525 PolarHBondContact NE-OE2 2.84Å; R469-E525 IonicContact NH2-OE2 2.66Å; R469-E525 PolarHBondContact NH2-OE2 3.34Å; R469-E525 PolarHBondContact O-N 3.15Å; R469-F527 HydrophobicContact CB-CD2 4.37Å; R469-F527 HydrophobicContact CB-CE2 4.21Å |
| 470 | Y | 94.4 | Very high | 84.6 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.6 | 165.8 | 68.4 | -96.2 | 0 | 0 | 0 | 112.7 | I449 L451 P480 V481 C502 F504 L522 K523 | I449-Y470 HydrophobicContact CD1-CE2 4.17Å; I449-Y470 HydrophobicContact CG2-CE1 4.35Å; L451-Y470 HydrophobicContact CD1-CD1 3.89Å; L451-Y470 HydrophobicContact CD1-CE1 3.97Å; L451-Y470 HydrophobicContact CG-CE1 4.23Å; Y470-P480 CarbonylContact O-C 3.57Å; Y470-P480 WeakPolarHBondContact O-CA 3.33Å; Y470-V481 HydrophobicContact CD1-CB 4.08Å; Y470-V481 HydrophobicContact CD1-CG1 4.38Å; Y470-V481 HydrophobicContact CD2-CB 4.21Å; Y470-V481 HydrophobicContact CD2-CG2 4.4Å; Y470-V481 HydrophobicContact CE1-CB 3.71Å; Y470-V481 HydrophobicContact CE1-CG1 3.66Å; Y470-V481 HydrophobicContact CE1-CG2 4.45Å; Y470-V481 HydrophobicContact CE2-CB 3.85Å; Y470-V481 HydrophobicContact CE2-CG1 4.46Å; Y470-V481 HydrophobicContact CE2-CG2 3.79Å; Y470-V481 HydrophobicContact CG-CB 4.34Å; Y470-V481 PolarHBondContact N-O 3.17Å; Y470-V481 PolarHBondContact O-N 3.23Å; Y470-C502 WeakPolarHBondContact OH-CB 3.35Å; Y470-F504 HydrophobicContact CE2-CE2 4.19Å; Y470-F504 HydrophobicContact CE2-CZ 4.04Å; Y470-L522 HydrophobicContact CD2-CD1 3.65Å; Y470-L522 HydrophobicContact CD2-CD2 4.4Å; Y470-L522 HydrophobicContact CE2-CD1 4.35Å; Y470-L522 HydrophobicContact CG-CD1 4.02Å; Y470-K523 WeakPolarHBondContact CB-O 3.42Å |
| 471 | V | 92.1 | Very high | 85.2 | Confident | 65 Ų | 65 | 52 Ų | 52 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | trans | -131.3 | 130.1 | 173.4 | -174 | 0 | 0 | 0 | 0 | 107.4 | P473 G478 P480 | V471-P473 HydrophobicContact CG1-CG 4.13Å; V471-G478 WeakPolarHBondContact CG1-O 3.5Å; V471-P480 HydrophobicContact CG2-CB 3.93Å | ||
| 472 | Y | 89.4 | Confident | 86.1 | Confident | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | trans | -138 | 79.1 | -178.8 | -156.3 | -105.5 | 0 | 0 | 0 | 113 | L474 F475 L517 N520 L522 L547 | Y472-L474 HydrophobicContact CD1-CB 4.08Å; Y472-L474 HydrophobicContact CE1-CB 3.68Å; Y472-L474 HydrophobicContact CE1-CD1 4.05Å; Y472-L474 HydrophobicContact CE1-CG 4.44Å; Y472-L474 HydrophobicContact CE2-CD1 4.37Å; Y472-L474 PolarHBondContact O-N 3.48Å; Y472-L474 WeakPolarHBondContact OH-CD1 3.39Å; Y472-F475 HydrophobicContact CD1-CD1 4.25Å; Y472-F475 AromaticContact CD1-CD2 3.58Å; Y472-F475 HydrophobicContact CD1-CD2 3.58Å; Y472-F475 HydrophobicContact CD1-CE1 4.35Å; Y472-F475 AromaticContact CD1-CE2 3.69Å; Y472-F475 HydrophobicContact CD1-CE2 3.69Å; Y472-F475 AromaticContact CD1-CG 3.88Å; Y472-F475 HydrophobicContact CD1-CG 3.88Å; Y472-F475 HydrophobicContact CD1-CZ 4.08Å; Y472-F475 HydrophobicContact CE1-CD1 4.29Å; Y472-F475 HydrophobicContact CE1-CD2 4.23Å; Y472-F475 HydrophobicContact CE1-CE1 4.06Å; Y472-F475 AromaticContact CE1-CE2 3.99Å; Y472-F475 HydrophobicContact CE1-CE2 3.99Å; Y472-F475 HydrophobicContact CE1-CG 4.37Å; Y472-F475 AromaticContact CE1-CZ 3.9Å; Y472-F475 HydrophobicContact CE1-CZ 3.9Å; Y472-F475 PolarHBondContact O-N 2.95Å; Y472-F475 VanDerWaalsContact O-N 3.14Å; Y472-L517 HydrophobicContact CE1-CD2 3.83Å; Y472-L517 VanDerWaalsContact OH-CD2 3.32Å; Y472-L517 WeakPolarHBondContact OH-CD2 3.18Å; Y472-N520 WeakPolarHBondContact CE2-O 3.37Å; Y472-N520 PolarHBondContact OH-O 3.44Å; Y472-L522 HydrophobicContact CD2-CB 4.31Å; Y472-L522 HydrophobicContact CD2-CD1 3.56Å; Y472-L522 HydrophobicContact CE2-CB 4.35Å; Y472-L522 HydrophobicContact CE2-CD1 4.4Å; Y472-L522 HydrophobicContact CG-CD1 3.92Å; Y472-L547 HydrophobicContact CD1-CD1 4.1Å; Y472-L547 HydrophobicContact CD2-CD1 4.47Å; Y472-L547 HydrophobicContact CE1-CD1 3.56Å; Y472-L547 HydrophobicContact CE2-CD1 3.99Å | ||
| 473 | P | 86.9 | Confident | 86.8 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 57% | 0.565 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -63.1 | -15.5 | -170.7 | -24 | 36 | 0 | 0 | 0 | 115.5 | V471 F475 G476 S477 | V471-P473 HydrophobicContact CG1-CG 4.13Å; P473-F475 PolarHBondContact O-N 3Å; P473-G476 PolarHBondContact O-N 3.38Å; P473-S477 WeakPolarHBondContact CA-O 3.27Å |
| 474 | L | 83.8 | Confident | 87.2 | Confident | 61 Ų | 61 | 40.3 Ų | 40.3 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -64.5 | -21.4 | 176 | -73.1 | 168 | 0 | 0 | 0 | 113.1 | Y472 G476 R516 N520 | Y472-L474 HydrophobicContact CD1-CB 4.08Å; Y472-L474 HydrophobicContact CE1-CB 3.68Å; Y472-L474 HydrophobicContact CE1-CD1 4.05Å; Y472-L474 HydrophobicContact CE1-CG 4.44Å; Y472-L474 HydrophobicContact CE2-CD1 4.37Å; Y472-L474 PolarHBondContact O-N 3.48Å; Y472-L474 WeakPolarHBondContact OH-CD1 3.39Å; L474-G476 VanDerWaalsContact C-N 3.3Å; L474-R516 HydrophobicContact CD1-CB 4.29Å; L474-R516 HydrophobicContact CD2-CB 4.3Å; L474-R516 HydrophobicContact CD2-CG 4.36Å; L474-N520 HydrophobicContact CD1-CB 3.59Å |
| 475 | F | 84.9 | Confident | 87.4 | Confident | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.057 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -91.5 | 17 | 171.6 | -63.3 | -25.9 | 0 | 0 | 0 | 113.5 | Y447 I449 Y472 P473 S477 F504 F506 L517 L547 | Y447-F475 AromaticContact CD1-CE2 3.93Å; Y447-F475 HydrophobicContact CD1-CE2 3.93Å; Y447-F475 AromaticContact CD1-CZ 3.82Å; Y447-F475 HydrophobicContact CD1-CZ 3.82Å; Y447-F475 HydrophobicContact CD2-CE1 4.12Å; Y447-F475 HydrophobicContact CD2-CE2 4.49Å; Y447-F475 AromaticContact CD2-CZ 3.6Å; Y447-F475 HydrophobicContact CD2-CZ 3.6Å; Y447-F475 HydrophobicContact CE1-CZ 4.38Å; Y447-F475 HydrophobicContact CE2-CZ 4.18Å; Y447-F475 HydrophobicContact CG-CE1 4.16Å; Y447-F475 AromaticContact CG-CE2 3.9Å; Y447-F475 HydrophobicContact CG-CE2 3.9Å; Y447-F475 AromaticContact CG-CZ 3.42Å; Y447-F475 HydrophobicContact CG-CZ 3.42Å; Y447-F475 VanDerWaalsContact CG-CZ 3.42Å; I449-F475 HydrophobicContact CD1-CE2 3.9Å; Y472-F475 HydrophobicContact CD1-CD1 4.25Å; Y472-F475 AromaticContact CD1-CD2 3.58Å; Y472-F475 HydrophobicContact CD1-CD2 3.58Å; Y472-F475 HydrophobicContact CD1-CE1 4.35Å; Y472-F475 AromaticContact CD1-CE2 3.69Å; Y472-F475 HydrophobicContact CD1-CE2 3.69Å; Y472-F475 AromaticContact CD1-CG 3.88Å; Y472-F475 HydrophobicContact CD1-CG 3.88Å; Y472-F475 HydrophobicContact CD1-CZ 4.08Å; Y472-F475 HydrophobicContact CE1-CD1 4.29Å; Y472-F475 HydrophobicContact CE1-CD2 4.23Å; Y472-F475 HydrophobicContact CE1-CE1 4.06Å; Y472-F475 AromaticContact CE1-CE2 3.99Å; Y472-F475 HydrophobicContact CE1-CE2 3.99Å; Y472-F475 HydrophobicContact CE1-CG 4.37Å; Y472-F475 AromaticContact CE1-CZ 3.9Å; Y472-F475 HydrophobicContact CE1-CZ 3.9Å; Y472-F475 PolarHBondContact O-N 2.95Å; Y472-F475 VanDerWaalsContact O-N 3.14Å; P473-F475 PolarHBondContact O-N 3Å; F475-S477 VanDerWaalsContact C-N 3.32Å; F475-S477 PolarHBondContact O-N 3.17Å; F475-F504 HydrophobicContact CB-CB 3.81Å; F475-F504 HydrophobicContact CB-CD1 3.54Å; F475-F504 HydrophobicContact CB-CE1 4.26Å; F475-F504 HydrophobicContact CB-CG 3.77Å; F475-F504 HydrophobicContact CD2-CB 3.8Å; F475-F504 AromaticContact CD2-CD1 3.97Å; F475-F504 HydrophobicContact CD2-CD1 3.97Å; F475-F504 AromaticContact CD2-CD2 3.58Å; F475-F504 HydrophobicContact CD2-CD2 3.58Å; F475-F504 HydrophobicContact CD2-CE1 4.45Å; F475-F504 HydrophobicContact CD2-CE2 4.11Å; F475-F504 AromaticContact CD2-CG 3.51Å; F475-F504 HydrophobicContact CD2-CG 3.51Å; F475-F504 HydrophobicContact CE2-CD2 4.14Å; F475-F504 HydrophobicContact CE2-CG 4.41Å; F475-F504 HydrophobicContact CG-CB 3.92Å; F475-F504 HydrophobicContact CG-CD1 4.21Å; F475-F504 HydrophobicContact CG-CD2 4.48Å; F475-F504 AromaticContact CG-CG 3.97Å; F475-F504 HydrophobicContact CG-CG 3.97Å; F475-F506 HydrophobicContact CB-CD1 4.32Å; F475-F506 AromaticContact CD1-CD1 3.79Å; F475-F506 HydrophobicContact CD1-CD1 3.79Å; F475-F506 AromaticContact CD1-CE1 3.24Å; F475-F506 HydrophobicContact CD1-CE1 3.24Å; F475-F506 HydrophobicContact CD1-CE2 4.48Å; F475-F506 AromaticContact CD1-CZ 3.66Å; F475-F506 HydrophobicContact CD1-CZ 3.66Å; F475-F506 HydrophobicContact CE1-CD1 4.44Å; F475-F506 AromaticContact CE1-CE1 3.47Å; F475-F506 HydrophobicContact CE1-CE1 3.47Å; F475-F506 VanDerWaalsContact CE1-CE1 3.47Å; F475-F506 AromaticContact CE1-CZ 3.53Å; F475-F506 HydrophobicContact CE1-CZ 3.53Å; F475-F506 HydrophobicContact CG-CD1 4.23Å; F475-F506 AromaticContact CG-CE1 3.92Å; F475-F506 HydrophobicContact CG-CE1 3.92Å; F475-F506 HydrophobicContact CZ-CE1 4.29Å; F475-F506 HydrophobicContact CZ-CZ 4.5Å; F475-L517 HydrophobicContact CE1-CD2 3.83Å; F475-L517 HydrophobicContact CZ-CD2 3.87Å; F475-L547 HydrophobicContact CE2-CD1 4.15Å; F475-L547 HydrophobicContact CZ-CD1 4.03Å |
| 476 | G | 73.5 | Confident | 87.4 | Confident | 76 Ų | 76 | 42.5 Ų | 42.5 | 78% | 0.784 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 84.9 | -9.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P473 L474 | P473-G476 PolarHBondContact O-N 3.38Å; L474-G476 VanDerWaalsContact C-N 3.3Å |
| 477 | S | 71.9 | Confident | 87.3 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | trans | -112.3 | 127.7 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | P473 F475 A479 | P473-S477 WeakPolarHBondContact CA-O 3.27Å; F475-S477 VanDerWaalsContact C-N 3.32Å; F475-S477 PolarHBondContact O-N 3.17Å; S477-A479 PolarHBondContact OG-N 3Å | ||
| 478 | G | 78.6 | Confident | 87 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | trans | -91.3 | 4.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V471 | V471-G478 WeakPolarHBondContact CG1-O 3.5Š| ||
| 479 | A | 78.7 | Confident | 86.5 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -76.7 | 142 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S477 | S477-A479 PolarHBondContact OG-N 3Š|
| 480 | P | 87.8 | Confident | 85.5 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 42% | 0.422 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 130.3 | 175.9 | 28.9 | -33.5 | 0 | 0 | 0 | 111.9 | R469 Y470 V471 M482 | R469-P480 HydrophobicContact CG-CB 4.08Å; Y470-P480 CarbonylContact O-C 3.57Å; Y470-P480 WeakPolarHBondContact O-CA 3.33Å; V471-P480 HydrophobicContact CG2-CB 3.93Å; P480-M482 HydrophobicContact CB-CG 4.36Å |
| 481 | V | 90.2 | Very high | 84.5 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132 | 164.5 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | R469 Y470 C502 F504 | R469-V481 CarbonylContact C-O 3.47Å; R469-V481 VanDerWaalsContact CA-O 3.32Å; R469-V481 WeakPolarHBondContact CA-O 3.47Å; Y470-V481 HydrophobicContact CD1-CB 4.08Å; Y470-V481 HydrophobicContact CD1-CG1 4.38Å; Y470-V481 HydrophobicContact CD2-CB 4.21Å; Y470-V481 HydrophobicContact CD2-CG2 4.4Å; Y470-V481 HydrophobicContact CE1-CB 3.71Å; Y470-V481 HydrophobicContact CE1-CG1 3.66Å; Y470-V481 HydrophobicContact CE1-CG2 4.45Å; Y470-V481 HydrophobicContact CE2-CB 3.85Å; Y470-V481 HydrophobicContact CE2-CG1 4.46Å; Y470-V481 HydrophobicContact CE2-CG2 3.79Å; Y470-V481 HydrophobicContact CG-CB 4.34Å; Y470-V481 PolarHBondContact N-O 3.17Å; Y470-V481 PolarHBondContact O-N 3.23Å; V481-C502 HydrophobicContact CG1-CB 4.07Å; V481-C502 HydrophobicContact CG2-CB 4.29Å; V481-F504 HydrophobicContact CG2-CZ 4.06Å |
| 482 | M | 92.8 | Very high | 83.6 | Confident | 71 Ų | 71 | 54.8 Ų | 54.8 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 138.8 | -174.5 | -63.8 | -176.5 | -69.5 | 0 | 0 | 112.3 | Y467 A468 R469 P480 L484 | Y467-M482 HydrophobicContact CD2-CB 4.47Å; Y467-M482 HydrophobicContact CE2-CG 4.46Å; Y467-M482 HydrophobicContact CE2-SD 4.13Å; A468-M482 CarbonylContact O-C 3.59Å; A468-M482 VanDerWaalsContact O-CA 3.31Å; A468-M482 WeakPolarHBondContact O-CA 3.26Å; R469-M482 HydrophobicContact CB-CG 4.11Å; R469-M482 HydrophobicContact CG-CG 3.88Å; R469-M482 HydrophobicContact CG-SD 4.45Å; P480-M482 HydrophobicContact CB-CG 4.36Å; M482-L484 VanDerWaalsContact C-N 3.25Å; M482-L484 HydrophobicContact CB-CD1 4.18Å; M482-L484 HydrophobicContact CB-CG 4.06Å; M482-L484 HydrophobicContact CE-CD1 3.95Å; M482-L484 PolarHBondContact O-N 3.34Å; M482-L484 VanDerWaalsContact O-N 3.07Å; M482-L484 HydrophobicContact SD-CD1 4.3Å |
| 483 | T | 91.4 | Very high | 83.2 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | trans | -87.7 | 58.2 | -179.9 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | L451 A468 L497 P498 | L451-T483 HydrophobicContact CD1-CG2 4.12Å; A468-T483 HydrophobicContact CB-CG2 3.97Å; A468-T483 PolarHBondContact N-OG1 3.39Å; A468-T483 PolarHBondContact O-N 3.5Å; T483-L497 HydrophobicContact CG2-CB 4.19Å; T483-L497 HydrophobicContact CG2-CD1 4.28Å; T483-P498 CarbonylContact C-O 3.49Å; T483-P498 WeakPolarHBondContact CA-O 3.3Å; T483-P498 WeakPolarHBondContact CB-O 3.28Å | ||
| 484 | L | 86.8 | Confident | 83.4 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 28% | 0.277 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 148.4 | 179 | -66.2 | 171.9 | 0 | 0 | 0 | 110.7 | Y467 M482 P486 H499 | Y467-L484 HydrophobicContact CD1-CD2 4.03Å; Y467-L484 HydrophobicContact CD2-CD2 3.91Å; Y467-L484 HydrophobicContact CD2-CG 4.42Å; Y467-L484 HydrophobicContact CE1-CD2 4.44Å; Y467-L484 HydrophobicContact CE2-CD2 4.35Å; Y467-L484 HydrophobicContact CG-CD2 3.74Å; M482-L484 VanDerWaalsContact C-N 3.25Å; M482-L484 HydrophobicContact CB-CD1 4.18Å; M482-L484 HydrophobicContact CB-CG 4.06Å; M482-L484 HydrophobicContact CE-CD1 3.95Å; M482-L484 PolarHBondContact O-N 3.34Å; M482-L484 VanDerWaalsContact O-N 3.07Å; M482-L484 HydrophobicContact SD-CD1 4.3Å; L484-P486 HydrophobicContact CD2-CG 3.96Å; L484-H499 PolarHBondContact O-CD2 3.38Å |
| 485 | P | 88.2 | Confident | 83.8 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | S | Bend | cis | -70.6 | 157.3 | 0 | 31.6 | -37 | 0 | 0 | 0 | 112.8 | P498 | P485-P498 WeakPolarHBondContact O-CG 3.46Š|
| 486 | P | 88.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 20% | 0.195 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 150.8 | 172.2 | -16.7 | 30.7 | 0 | 0 | 0 | 111.4 | Q465 L466 Y467 L484 R529 | Q465-P486 HydrophobicContact CB-CB 4.23Å; Q465-P486 WeakPolarHBondContact O-CB 3.18Å; L466-P486 CarbonylContact O-C 3.51Å; L466-P486 WeakPolarHBondContact O-CA 3.27Å; Y467-P486 HydrophobicContact CD1-CB 4.32Å; Y467-P486 HydrophobicContact CD1-CG 3.94Å; L484-P486 HydrophobicContact CD2-CG 3.96Å; P486-R529 HydrophobicContact CG-CB 4.22Å |
| 487 | I | 89.1 | Confident | 85.1 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.9 | -178.7 | -63.2 | -165.3 | 0 | 0 | 0 | 111.1 | L466 V495 P498 | L466-I487 PolarHBondContact N-O 2.98Å; L466-I487 PolarHBondContact O-N 3.04Å; I487-V495 HydrophobicContact CB-CG1 4.46Å; I487-V495 HydrophobicContact CG2-CG1 3.57Å; I487-P498 HydrophobicContact CD1-CB 4.23Å; I487-P498 HydrophobicContact CD1-CG 3.73Å; I487-P498 HydrophobicContact CG1-CG 3.96Å |
| 488 | A | 88.1 | Confident | 85.9 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 124.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E463 L464 | E463-A488 HydrophobicContact CG-CB 4.19Å; L464-A488 CarbonylContact O-C 3.59Å; L464-A488 VanDerWaalsContact O-CA 3.27Å; L464-A488 WeakPolarHBondContact O-CA 3.23Å |
| 489 | I | 84.2 | Confident | 86.4 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.046 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.1 | 180 | -59.3 | -168.2 | 0 | 0 | 0 | 112.3 | V454 I457 L464 L466 V495 | V454-I489 HydrophobicContact CG2-CD1 3.51Å; I457-I489 HydrophobicContact CB-CG2 4.26Å; I457-I489 HydrophobicContact CD1-CD1 3.68Å; I457-I489 HydrophobicContact CD1-CG2 4.02Å; I457-I489 HydrophobicContact CG2-CG2 4.45Å; L464-I489 PolarHBondContact O-N 3.39Å; L466-I489 HydrophobicContact CB-CD1 3.66Å; L466-I489 HydrophobicContact CB-CG1 4.2Å; L466-I489 HydrophobicContact CD1-CD1 3.97Å; L466-I489 HydrophobicContact CD2-CD1 3.89Å; L466-I489 HydrophobicContact CG-CD1 4.05Å; I489-V495 HydrophobicContact CG1-CB 4.37Å; I489-V495 HydrophobicContact CG1-CG1 4.35Å; I489-V495 HydrophobicContact CG1-CG2 4.23Å; I489-V495 HydrophobicContact CG2-CG2 4.26Å |
| 490 | A | 74.4 | Confident | 86.8 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | trans | -78.2 | 141 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | H492 Q493 | A490-H492 PolarHBondContact O-N 2.88Å; A490-Q493 HydrophobicContact CB-CB 4.21Å; A490-Q493 PolarHBondContact O-N 2.95Å; A490-Q493 VanDerWaalsContact O-N 3.17Å | ||
| 491 | R | 72.5 | Confident | 87.1 | Confident | 149 Ų | 149 | 64.8 Ų | 64.8 | 56% | 0.562 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 129.4 | 178.4 | -67.8 | 176.2 | 169.2 | -172 | -8.1 | 111.3 | F460 D461 Q493 | F460-R491 PolarHBondContact O-NE 3.35Å; F460-R491 VanDerWaalsContact O-NE 3.15Å; F460-R491 PolarHBondContact O-NH2 3.26Å; D461-R491 IonicContact OD1-CZ 2.7Å; D461-R491 IonicContact OD1-NH2 2.61Å; D461-R491 PolarHBondContact OD1-NH2 2.97Å; R491-Q493 VanDerWaalsContact C-N 3.26Å; R491-Q493 PolarHBondContact O-N 2.84Å |
| 492 | H | 72.9 | Confident | 87.2 | Confident | 130 Ų | 130 | 65.1 Ų | 65.1 | 60% | 0.602 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 12.1 | -178.7 | -43.8 | 93 | 0 | 0 | 0 | 116.9 | A490 | A490-H492 PolarHBondContact O-N 2.88Š|
| 493 | Q | 82.5 | Confident | 87.2 | Confident | 111 Ų | 111 | 64 Ų | 64 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | trans | -89.3 | 151.6 | 171.7 | -174.5 | 167.3 | -21.7 | 0 | 0 | 111.3 | A490 R491 V495 | A490-Q493 HydrophobicContact CB-CB 4.21Å; A490-Q493 PolarHBondContact O-N 2.95Å; A490-Q493 VanDerWaalsContact O-N 3.17Å; R491-Q493 VanDerWaalsContact C-N 3.26Å; R491-Q493 PolarHBondContact O-N 2.84Å; Q493-V495 HydrophobicContact CB-CG2 4.42Å; Q493-V495 HydrophobicContact CG-CG2 4.14Å | ||
| 494 | E | 91.2 | Very high | 87.2 | Confident | 108 Ų | 108 | 65 Ų | 65 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | trans | -90.4 | 126.6 | 162.3 | -178.5 | 169.6 | 175.3 | 0 | 0 | 109.9 | S453 V454 K455 | S453-E494 VanDerWaalsContact CB-OE1 3.32Å; S453-E494 WeakPolarHBondContact CB-OE1 3.42Å; S453-E494 PolarHBondContact OG-OE1 3.5Å; V454-E494 CarbonylContact O-C 3.58Å; V454-E494 WeakPolarHBondContact O-CA 3.49Å; K455-E494 HydrophobicContact CB-CB 3.89Å; K455-E494 HydrophobicContact CB-CG 3.98Å | ||
| 495 | V | 91 | Very high | 87.4 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.1 | -174 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | S453 V454 I487 I489 Q493 | S453-V495 CarbonylContact C-O 3.56Å; S453-V495 WeakPolarHBondContact CA-O 3.41Å; S453-V495 VanDerWaalsContact CB-O 3.26Å; S453-V495 WeakPolarHBondContact CB-O 3.34Å; V454-V495 PolarHBondContact N-O 3.02Å; V454-V495 PolarHBondContact O-N 2.96Å; I487-V495 HydrophobicContact CB-CG1 4.46Å; I487-V495 HydrophobicContact CG2-CG1 3.57Å; I489-V495 HydrophobicContact CG1-CB 4.37Å; I489-V495 HydrophobicContact CG1-CG1 4.35Å; I489-V495 HydrophobicContact CG1-CG2 4.23Å; I489-V495 HydrophobicContact CG2-CG2 4.26Å; Q493-V495 HydrophobicContact CB-CG2 4.42Å; Q493-V495 HydrophobicContact CG-CG2 4.14Å |
| 496 | I | 92.8 | Very high | 87.5 | Confident | 130 Ų | 130 | 65.9 Ų | 65.9 | 67% | 0.667 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130.5 | 179 | -62.4 | 175.2 | 0 | 0 | 0 | 109.5 | R452 | R452-I496 CarbonylContact O-C 3.56Å; R452-I496 VanDerWaalsContact O-CA 3.31Å; R452-I496 WeakPolarHBondContact O-CA 3.41Å; R452-I496 WeakPolarHBondContact O-CG2 3.46Å |
| 497 | L | 92.2 | Very high | 87.5 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 134.5 | 178 | -68.2 | 176.9 | 0 | 0 | 0 | 110.8 | L451 R452 V454 L466 A468 T483 L591 | L451-L497 HydrophobicContact CB-CD1 4.09Å; R452-L497 PolarHBondContact O-N 3.29Å; V454-L497 HydrophobicContact CG1-CD1 4.09Å; V454-L497 HydrophobicContact CG1-CG 4.49Å; V454-L497 HydrophobicContact CG2-CD2 4.08Å; V454-L497 HydrophobicContact CG2-CG 4.45Å; L466-L497 HydrophobicContact CD2-CD2 3.88Å; A468-L497 HydrophobicContact CB-CD1 4.15Å; T483-L497 HydrophobicContact CG2-CB 4.19Å; T483-L497 HydrophobicContact CG2-CD1 4.28Å; L497-L591 HydrophobicContact CD1-CD1 4.06Å |
| 498 | P | 89.3 | Confident | 87.4 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 146.9 | -179.8 | 36.4 | -32.6 | 0 | 0 | 0 | 109.6 | T483 P485 I487 G500 | T483-P498 CarbonylContact C-O 3.49Å; T483-P498 WeakPolarHBondContact CA-O 3.3Å; T483-P498 WeakPolarHBondContact CB-O 3.28Å; P485-P498 WeakPolarHBondContact O-CG 3.46Å; I487-P498 HydrophobicContact CD1-CB 4.23Å; I487-P498 HydrophobicContact CD1-CG 3.73Å; I487-P498 HydrophobicContact CG1-CG 3.96Å; P498-G500 PolarHBondContact O-N 3.16Å |
| 499 | H | 88.5 | Confident | 87.4 | Confident | 144 Ų | 144 | 63.3 Ų | 63.3 | 67% | 0.667 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 21.2 | 179 | -60.2 | -90.6 | 0 | 0 | 0 | 115.5 | L484 F501 | L484-H499 PolarHBondContact O-CD2 3.38Å; H499-F501 PolarHBondContact O-N 2.95Å |
| 500 | G | 88.4 | Confident | 87.6 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | trans | -69.5 | -7.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | E450 L451 P498 | E450-G500 CarbonylContact C-O 3.52Å; E450-G500 WeakPolarHBondContact CA-O 3.49Å; L451-G500 PolarHBondContact N-O 3.44Å; P498-G500 PolarHBondContact O-N 3.16Å | ||
| 501 | F | 93.5 | Very high | 88.2 | Confident | 128 Ų | 128 | 67.8 Ų | 67.8 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.3 | 177.5 | -179.6 | -80.2 | 0 | 0 | 0 | 111.7 | T448 E450 H499 A503 | T448-F501 HydrophobicContact CG2-CD2 3.97Å; T448-F501 HydrophobicContact CG2-CE1 4.38Å; T448-F501 HydrophobicContact CG2-CE2 3.36Å; T448-F501 HydrophobicContact CG2-CZ 3.6Å; E450-F501 HydrophobicContact CB-CD2 4.37Å; E450-F501 HydrophobicContact CG-CB 4.49Å; E450-F501 HydrophobicContact CG-CD2 4.4Å; H499-F501 PolarHBondContact O-N 2.95Å; F501-A503 HydrophobicContact CE1-CB 4.17Å; F501-A503 HydrophobicContact CZ-CB 4.42Å |
| 502 | C | 91.9 | Very high | 88.8 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 146.2 | 166.6 | -162 | 0 | 0 | 0 | 0 | 110.6 | T448 I449 Y470 V481 F504 | T448-C502 CarbonylContact C-O 3.56Å; T448-C502 WeakPolarHBondContact CA-O 3.38Å; I449-C502 PolarHBondContact N-O 3.43Å; I449-C502 PolarHBondContact O-N 3.18Å; I449-C502 VanDerWaalsContact O-O 3.12Å; Y470-C502 WeakPolarHBondContact OH-CB 3.35Å; V481-C502 HydrophobicContact CG1-CB 4.07Å; V481-C502 HydrophobicContact CG2-CB 4.29Å; C502-F504 HydrophobicContact CB-CE2 3.96Å; C502-F504 HydrophobicContact CB-CZ 4.36Å |
| 503 | A | 92.9 | Very high | 89.7 | Confident | 49 Ų | 49 | 59 Ų | 59 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T448 F501 | T448-A503 HydrophobicContact CG2-CB 4.47Å; F501-A503 HydrophobicContact CE1-CB 4.17Å; F501-A503 HydrophobicContact CZ-CB 4.42Å |
| 504 | F | 92.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 110.8 | -174.2 | -64.6 | -90.4 | 0 | 0 | 0 | 110.4 | C446 Y447 I449 Y470 F475 V481 C502 F506 | C446-F504 CarbonylContact C-O 3.54Å; C446-F504 WeakPolarHBondContact CA-O 3.43Å; Y447-F504 PolarHBondContact N-O 2.96Å; Y447-F504 PolarHBondContact O-N 2.85Å; I449-F504 HydrophobicContact CD1-CD2 4.36Å; I449-F504 HydrophobicContact CD1-CE2 3.98Å; Y470-F504 HydrophobicContact CE2-CE2 4.19Å; Y470-F504 HydrophobicContact CE2-CZ 4.04Å; F475-F504 HydrophobicContact CB-CB 3.81Å; F475-F504 HydrophobicContact CB-CD1 3.54Å; F475-F504 HydrophobicContact CB-CE1 4.26Å; F475-F504 HydrophobicContact CB-CG 3.77Å; F475-F504 HydrophobicContact CD2-CB 3.8Å; F475-F504 AromaticContact CD2-CD1 3.97Å; F475-F504 HydrophobicContact CD2-CD1 3.97Å; F475-F504 AromaticContact CD2-CD2 3.58Å; F475-F504 HydrophobicContact CD2-CD2 3.58Å; F475-F504 HydrophobicContact CD2-CE1 4.45Å; F475-F504 HydrophobicContact CD2-CE2 4.11Å; F475-F504 AromaticContact CD2-CG 3.51Å; F475-F504 HydrophobicContact CD2-CG 3.51Å; F475-F504 HydrophobicContact CE2-CD2 4.14Å; F475-F504 HydrophobicContact CE2-CG 4.41Å; F475-F504 HydrophobicContact CG-CB 3.92Å; F475-F504 HydrophobicContact CG-CD1 4.21Å; F475-F504 HydrophobicContact CG-CD2 4.48Å; F475-F504 AromaticContact CG-CG 3.97Å; F475-F504 HydrophobicContact CG-CG 3.97Å; V481-F504 HydrophobicContact CG2-CZ 4.06Å; C502-F504 HydrophobicContact CB-CE2 3.96Å; C502-F504 HydrophobicContact CB-CZ 4.36Å; F504-F506 HydrophobicContact CB-CD1 4.27Å; F504-F506 HydrophobicContact CB-CE1 4.38Å; F504-F506 WeakPolarHBondContact O-CD1 3.18Å |
| 505 | E | 91.1 | Very high | 90 | Very high | 118 Ų | 118 | 56.8 Ų | 56.8 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.2 | 172.2 | -72.4 | -150.4 | -131.9 | 0 | 0 | 111.6 | R444 Y445 C446 | R444-E505 IonicContact CZ-OE2 3.57Å; R444-E505 IonicContact NE-OE2 2.69Å; R444-E505 PolarHBondContact NE-OE2 3.16Å; R444-E505 IonicContact NH2-OE1 2.77Å; R444-E505 PolarHBondContact NH2-OE1 3.36Å; R444-E505 IonicContact NH2-OE2 3.9Å; R444-E505 PolarHBondContact NH2-OE2 2.73Å; Y445-E505 WeakPolarHBondContact O-CA 3.45Å; C446-E505 HydrophobicContact CB-CG 4.09Å |
| 506 | F | 90.1 | Very high | 90 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 174.5 | 178.2 | 57.3 | -91.4 | 0 | 0 | 0 | 111.4 | Y445 F475 F504 A508 L513 | Y445-F506 HydrophobicContact CD2-CE2 4.15Å; Y445-F506 HydrophobicContact CG-CE2 4.23Å; Y445-F506 PolarHBondContact N-O 3.18Å; Y445-F506 PolarHBondContact O-N 3.32Å; F475-F506 HydrophobicContact CB-CD1 4.32Å; F475-F506 AromaticContact CD1-CD1 3.79Å; F475-F506 HydrophobicContact CD1-CD1 3.79Å; F475-F506 AromaticContact CD1-CE1 3.24Å; F475-F506 HydrophobicContact CD1-CE1 3.24Å; F475-F506 HydrophobicContact CD1-CE2 4.48Å; F475-F506 AromaticContact CD1-CZ 3.66Å; F475-F506 HydrophobicContact CD1-CZ 3.66Å; F475-F506 HydrophobicContact CE1-CD1 4.44Å; F475-F506 AromaticContact CE1-CE1 3.47Å; F475-F506 HydrophobicContact CE1-CE1 3.47Å; F475-F506 VanDerWaalsContact CE1-CE1 3.47Å; F475-F506 AromaticContact CE1-CZ 3.53Å; F475-F506 HydrophobicContact CE1-CZ 3.53Å; F475-F506 HydrophobicContact CG-CD1 4.23Å; F475-F506 AromaticContact CG-CE1 3.92Å; F475-F506 HydrophobicContact CG-CE1 3.92Å; F475-F506 HydrophobicContact CZ-CE1 4.29Å; F475-F506 HydrophobicContact CZ-CZ 4.5Å; F504-F506 HydrophobicContact CB-CD1 4.27Å; F504-F506 HydrophobicContact CB-CE1 4.38Å; F504-F506 WeakPolarHBondContact O-CD1 3.18Å; F506-A508 HydrophobicContact CD2-CB 4.21Å; F506-A508 HydrophobicContact CE2-CB 4.23Å; F506-L513 HydrophobicContact CE2-CD1 3.66Å; F506-L513 HydrophobicContact CE2-CD2 3.92Å; F506-L513 HydrophobicContact CE2-CG 4.43Å; F506-L513 HydrophobicContact CZ-CD1 3.85Å; F506-L513 HydrophobicContact CZ-CD2 4.24Å |
| 507 | A | 88.1 | Confident | 90 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | W442 R443 | W442-A507 HydrophobicContact CE3-CB 3.85Å; W442-A507 HydrophobicContact CZ3-CB 4.48Å; W442-A507 WeakPolarHBondContact CZ3-O 3.17Å; R443-A507 VanDerWaalsContact O-CA 3.24Å; R443-A507 WeakPolarHBondContact O-CA 3.3Å |
| 508 | A | 88.1 | Confident | 89.9 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 165.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R443 Y445 F506 L513 | R443-A508 PolarHBondContact N-O 3.32Å; R443-A508 PolarHBondContact O-N 2.83Å; Y445-A508 HydrophobicContact CD2-CB 4.4Å; F506-A508 HydrophobicContact CD2-CB 4.21Å; F506-A508 HydrophobicContact CE2-CB 4.23Å; A508-L513 HydrophobicContact CB-CB 4.07Å |
| 509 | S | 88.2 | Confident | 90 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | trans | -78.2 | 145.1 | 161.4 | 67.5 | 0 | 0 | 0 | 0 | 110 | E511 E512 L513 | S509-E511 VanDerWaalsContact C-N 3.27Å; S509-E511 PolarHBondContact O-N 3.48Å; S509-E512 PolarHBondContact O-N 3.41Å; S509-E512 WeakPolarHBondContact OG-CB 3.37Å; S509-E512 PolarHBondContact OG-N 2.88Å; S509-L513 VanDerWaalsContact O-CB 3.32Å; S509-L513 WeakPolarHBondContact O-CB 3.36Å; S509-L513 PolarHBondContact O-N 2.88Å | ||
| 510 | P | 87.4 | Confident | 90 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.5 | -41.5 | 179.8 | -24.1 | 31.1 | 0 | 0 | 0 | 113.4 | R443 K514 | R443-P510 HydrophobicContact CG-CG 4.44Å; P510-K514 PolarHBondContact O-N 3.49Å |
| 511 | E | 87 | Confident | 90.2 | Very high | 113 Ų | 113 | 62 Ų | 62 | 53% | 0.528 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.5 | -48.9 | -175.9 | -62.5 | 71.3 | -156 | 0 | 0 | 110.3 | S509 L513 K514 T515 | S509-E511 VanDerWaalsContact C-N 3.27Å; S509-E511 PolarHBondContact O-N 3.48Å; E511-L513 PolarHBondContact O-N 2.86Å; E511-K514 PolarHBondContact O-N 3Å; E511-T515 PolarHBondContact O-N 3.36Å; E511-T515 VanDerWaalsContact O-N 3.08Å; E511-T515 PolarHBondContact O-OG1 2.81Å |
| 512 | E | 86.5 | Confident | 90.2 | Very high | 84 Ų | 84 | 55.9 Ų | 55.9 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.2 | -176.7 | 173.4 | -160.5 | 0 | 0 | 111.3 | S509 K514 T515 R516 | S509-E512 PolarHBondContact O-N 3.41Å; S509-E512 WeakPolarHBondContact OG-CB 3.37Å; S509-E512 PolarHBondContact OG-N 2.88Å; E512-K514 VanDerWaalsContact C-N 3.33Å; E512-K514 PolarHBondContact O-N 3.46Å; E512-T515 PolarHBondContact O-N 3.28Å; E512-R516 HydrophobicContact CG-CG 3.86Å; E512-R516 VanDerWaalsContact O-CG 3.3Å; E512-R516 WeakPolarHBondContact O-CG 3.42Å; E512-R516 PolarHBondContact O-N 2.96Å; E512-R516 IonicContact OE1-CZ 2.78Å; E512-R516 IonicContact OE1-NE 3.06Å; E512-R516 PolarHBondContact OE1-NE 3.34Å; E512-R516 IonicContact OE1-NH2 2.93Å; E512-R516 PolarHBondContact OE1-NH2 2.78Å |
| 513 | L | 90.4 | Very high | 90.3 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 179.2 | -179.9 | 58.2 | 0 | 0 | 0 | 111.4 | Y445 F506 A508 S509 E511 T515 R516 L517 F551 | Y445-L513 HydrophobicContact CD1-CD2 4.03Å; Y445-L513 HydrophobicContact CD2-CD2 3.56Å; Y445-L513 HydrophobicContact CE1-CD2 4.08Å; Y445-L513 HydrophobicContact CE2-CD2 3.64Å; Y445-L513 HydrophobicContact CG-CD2 3.77Å; F506-L513 HydrophobicContact CE2-CD1 3.66Å; F506-L513 HydrophobicContact CE2-CD2 3.92Å; F506-L513 HydrophobicContact CE2-CG 4.43Å; F506-L513 HydrophobicContact CZ-CD1 3.85Å; F506-L513 HydrophobicContact CZ-CD2 4.24Å; A508-L513 HydrophobicContact CB-CB 4.07Å; S509-L513 VanDerWaalsContact O-CB 3.32Å; S509-L513 WeakPolarHBondContact O-CB 3.36Å; S509-L513 PolarHBondContact O-N 2.88Å; E511-L513 PolarHBondContact O-N 2.86Å; L513-T515 PolarHBondContact O-N 3.31Å; L513-R516 PolarHBondContact O-N 2.67Å; L513-L517 HydrophobicContact CD1-CD1 3.91Å; L513-L517 HydrophobicContact CD1-CD2 4.46Å; L513-L517 HydrophobicContact CD1-CG 3.97Å; L513-L517 HydrophobicContact CG-CD1 4.25Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.41Å; L513-L517 PolarHBondContact O-N 2.89Å; L513-F551 HydrophobicContact CD2-CZ 4.01Å; L513-F551 HydrophobicContact CG-CE2 4.29Å; L513-F551 HydrophobicContact CG-CZ 4.12Å |
| 514 | K | 91.2 | Very high | 90.5 | Very high | 99 Ų | 99 | 56.1 Ų | 56.1 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 177.8 | -167.8 | -178.1 | 178.3 | -175.3 | 0 | 111.6 | P510 E511 E512 N518 V548 F551 | P510-K514 PolarHBondContact O-N 3.49Å; E511-K514 PolarHBondContact O-N 3Å; E512-K514 VanDerWaalsContact C-N 3.33Å; E512-K514 PolarHBondContact O-N 3.46Å; K514-N518 WeakPolarHBondContact O-CB 3.26Å; K514-N518 PolarHBondContact O-N 2.9Å; K514-V548 HydrophobicContact CG-CG2 3.93Å; K514-F551 HydrophobicContact CB-CE2 4.33Å; K514-F551 HydrophobicContact CB-CZ 4.5Å; K514-F551 HydrophobicContact CG-CD2 4.23Å; K514-F551 HydrophobicContact CG-CG 4.43Å |
| 515 | T | 90.1 | Very high | 90.6 | Very high | 74 Ų | 74 | 56.9 Ų | 56.9 | 45% | 0.454 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -49.9 | 177.1 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | E511 E512 L513 L517 N518 D519 | E511-T515 PolarHBondContact O-N 3.36Å; E511-T515 VanDerWaalsContact O-N 3.08Å; E511-T515 PolarHBondContact O-OG1 2.81Å; E512-T515 PolarHBondContact O-N 3.28Å; L513-T515 PolarHBondContact O-N 3.31Å; T515-L517 VanDerWaalsContact C-N 3.32Å; T515-L517 PolarHBondContact O-N 3.39Å; T515-N518 WeakPolarHBondContact O-CB 3.19Å; T515-N518 PolarHBondContact O-N 2.98Å; T515-N518 VanDerWaalsContact O-N 3.07Å; T515-D519 VanDerWaalsContact CG2-OD2 3.27Å; T515-D519 WeakPolarHBondContact CG2-OD2 3.37Å; T515-D519 PolarHBondContact O-N 3.22Å |
| 516 | R | 89.8 | Confident | 90.8 | Very high | 108 Ų | 108 | 51.3 Ų | 51.3 | 41% | 0.408 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | -177.9 | -64.4 | -55.2 | -165.7 | 100.9 | 14.9 | 112.9 | L474 E512 L513 N518 N520 | L474-R516 HydrophobicContact CD1-CB 4.29Å; L474-R516 HydrophobicContact CD2-CB 4.3Å; L474-R516 HydrophobicContact CD2-CG 4.36Å; E512-R516 HydrophobicContact CG-CG 3.86Å; E512-R516 VanDerWaalsContact O-CG 3.3Å; E512-R516 WeakPolarHBondContact O-CG 3.42Å; E512-R516 PolarHBondContact O-N 2.96Å; E512-R516 IonicContact OE1-CZ 2.78Å; E512-R516 IonicContact OE1-NE 3.06Å; E512-R516 PolarHBondContact OE1-NE 3.34Å; E512-R516 IonicContact OE1-NH2 2.93Å; E512-R516 PolarHBondContact OE1-NH2 2.78Å; L513-R516 PolarHBondContact O-N 2.67Å; R516-N518 VanDerWaalsContact C-N 3.33Å; R516-N520 WeakPolarHBondContact O-CB 3.46Å; R516-N520 PolarHBondContact O-N 3.44Å; R516-N520 PolarHBondContact O-ND2 3.02Å |
| 517 | L | 92.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.4 | -20.7 | 178.4 | -64.1 | -174.2 | 0 | 0 | 0 | 113.9 | Y447 Y472 F475 L513 T515 L547 V548 F551 | Y447-L517 HydrophobicContact CD2-CD1 4.06Å; Y447-L517 HydrophobicContact CE2-CD1 3.5Å; Y447-L517 VanDerWaalsContact CE2-CD1 3.5Å; Y472-L517 HydrophobicContact CE1-CD2 3.83Å; Y472-L517 VanDerWaalsContact OH-CD2 3.32Å; Y472-L517 WeakPolarHBondContact OH-CD2 3.18Å; F475-L517 HydrophobicContact CE1-CD2 3.83Å; F475-L517 HydrophobicContact CZ-CD2 3.87Å; L513-L517 HydrophobicContact CD1-CD1 3.91Å; L513-L517 HydrophobicContact CD1-CD2 4.46Å; L513-L517 HydrophobicContact CD1-CG 3.97Å; L513-L517 HydrophobicContact CG-CD1 4.25Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.41Å; L513-L517 PolarHBondContact O-N 2.89Å; T515-L517 VanDerWaalsContact C-N 3.32Å; T515-L517 PolarHBondContact O-N 3.39Å; L517-L547 HydrophobicContact CB-CB 4.13Å; L517-L547 HydrophobicContact CD1-CB 4.26Å; L517-L547 HydrophobicContact CD2-CB 3.92Å; L517-L547 HydrophobicContact CD2-CD1 3.92Å; L517-L547 HydrophobicContact CG-CB 4.32Å; L517-V548 HydrophobicContact CB-CB 4.32Å; L517-F551 HydrophobicContact CD1-CE2 4.19Å |
| 518 | N | 91.4 | Very high | 91 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77 | -47.4 | 171.4 | 177.2 | 89 | 0 | 0 | 0 | 110.6 | K514 T515 R516 N520 V548 | K514-N518 WeakPolarHBondContact O-CB 3.26Å; K514-N518 PolarHBondContact O-N 2.9Å; T515-N518 WeakPolarHBondContact O-CB 3.19Å; T515-N518 PolarHBondContact O-N 2.98Å; T515-N518 VanDerWaalsContact O-N 3.07Å; R516-N518 VanDerWaalsContact C-N 3.33Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-N520 PolarHBondContact O-N 3.43Å; N518-V548 HydrophobicContact CB-CB 4.23Å; N518-V548 HydrophobicContact CB-CG1 4.43Å; N518-V548 HydrophobicContact CB-CG2 4.16Å |
| 519 | D | 90.3 | Very high | 90.9 | Very high | 97 Ų | 97 | 52 Ų | 52 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -75.9 | -16.7 | -172.9 | -56.9 | -11.7 | 0 | 0 | 0 | 113 | T515 | T515-D519 VanDerWaalsContact CG2-OD2 3.27Å; T515-D519 WeakPolarHBondContact CG2-OD2 3.37Å; T515-D519 PolarHBondContact O-N 3.22Å |
| 520 | N | 88.9 | Confident | 90.3 | Very high | 73 Ų | 73 | 53.4 Ų | 53.4 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -135.7 | 82.7 | -175.5 | -55.9 | -99.9 | 0 | 0 | 0 | 110.2 | Y472 L474 R516 N518 | Y472-N520 WeakPolarHBondContact CE2-O 3.37Å; Y472-N520 PolarHBondContact OH-O 3.44Å; L474-N520 HydrophobicContact CD1-CB 3.59Å; R516-N520 WeakPolarHBondContact O-CB 3.46Å; R516-N520 PolarHBondContact O-N 3.44Å; R516-N520 PolarHBondContact O-ND2 3.02Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-N520 PolarHBondContact O-N 3.43Å |
| 521 | P | 92.7 | Very high | 89.3 | Confident | 61 Ų | 61 | 60 Ų | 60 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | trans | -61.5 | 153.4 | 171.2 | 27.4 | -34.9 | 0 | 0 | 0 | 111.1 | K523 | P521-K523 PolarHBondContact O-N 3.21Š| ||
| 522 | L | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 111.8 | -179.9 | 173.6 | 66.9 | 0 | 0 | 0 | 110.3 | I449 Y470 Y472 V524 L544 I545 L547 | I449-L522 HydrophobicContact CD1-CD2 3.75Å; I449-L522 HydrophobicContact CG1-CD2 4.41Å; I449-L522 HydrophobicContact CG2-CD2 4.06Å; Y470-L522 HydrophobicContact CD2-CD1 3.65Å; Y470-L522 HydrophobicContact CD2-CD2 4.4Å; Y470-L522 HydrophobicContact CE2-CD1 4.35Å; Y470-L522 HydrophobicContact CG-CD1 4.02Å; Y472-L522 HydrophobicContact CD2-CB 4.31Å; Y472-L522 HydrophobicContact CD2-CD1 3.56Å; Y472-L522 HydrophobicContact CE2-CB 4.35Å; Y472-L522 HydrophobicContact CE2-CD1 4.4Å; Y472-L522 HydrophobicContact CG-CD1 3.92Å; L522-V524 HydrophobicContact CD2-CG2 4.25Å; L522-V524 HydrophobicContact CG-CG2 4.13Å; L522-L544 WeakPolarHBondContact O-CA 3.33Å; L522-I545 HydrophobicContact CB-CB 4.21Å; L522-I545 HydrophobicContact CD2-CD1 4.37Å; L522-I545 PolarHBondContact N-O 2.94Å; L522-I545 PolarHBondContact O-N 2.84Å; L522-L547 HydrophobicContact CB-CD1 3.96Å; L522-L547 HydrophobicContact CB-CD2 4.12Å; L522-L547 HydrophobicContact CB-CG 3.88Å; L522-L547 HydrophobicContact CD2-CD2 4.16Å |
| 523 | K | 94.7 | Very high | 86.4 | Confident | 86 Ų | 86 | 58.2 Ų | 58.2 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.8 | 168.8 | -167.4 | -168 | -177.5 | -161.5 | 0 | 110 | Y470 P521 E525 Y542 A543 L544 | Y470-K523 WeakPolarHBondContact CB-O 3.42Å; P521-K523 PolarHBondContact O-N 3.21Å; K523-E525 HydrophobicContact CD-CG 4.07Å; K523-E525 WeakPolarHBondContact CE-OE1 3.3Å; K523-E525 HydrophobicContact CG-CG 4.28Å; K523-E525 IonicContact NZ-OE1 3.7Å; K523-E525 PolarHBondContact NZ-OE1 2.81Å; K523-Y542 HydrophobicContact CG-CD2 4.12Å; K523-Y542 HydrophobicContact CG-CG 4.38Å; K523-A543 WeakPolarHBondContact CA-O 3.44Å; K523-L544 HydrophobicContact CB-CD2 3.97Å; K523-L544 HydrophobicContact CG-CD2 4.09Å |
| 524 | V | 96.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.5 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | L451 A468 L522 F526 Y542 A543 I545 L591 | L451-V524 HydrophobicContact CD1-CG1 3.77Å; L451-V524 HydrophobicContact CD1-CG2 4.4Å; L451-V524 HydrophobicContact CD2-CG2 4.18Å; A468-V524 HydrophobicContact CB-CG1 3.92Å; L522-V524 HydrophobicContact CD2-CG2 4.25Å; L522-V524 HydrophobicContact CG-CG2 4.13Å; V524-F526 HydrophobicContact CG1-CE1 4.45Å; V524-F526 HydrophobicContact CG1-CE2 4.27Å; V524-F526 HydrophobicContact CG1-CZ 4.03Å; V524-Y542 CarbonylContact O-C 3.56Å; V524-Y542 WeakPolarHBondContact O-CA 3.5Å; V524-Y542 VanDerWaalsContact O-CB 3.31Å; V524-Y542 WeakPolarHBondContact O-CB 3.26Å; V524-A543 PolarHBondContact N-O 3.3Å; V524-A543 PolarHBondContact O-N 2.82Å; V524-I545 HydrophobicContact CG2-CD1 3.92Å; V524-L591 HydrophobicContact CB-CD2 4.09Å; V524-L591 HydrophobicContact CG1-CD2 4.11Å; V524-L591 HydrophobicContact CG2-CD2 4.13Å |
| 525 | E | 95.3 | Very high | 82.8 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 149.6 | -178.2 | -63.1 | 179.9 | 150.6 | 0 | 0 | 110.7 | A468 R469 K523 F527 F539 | A468-E525 CarbonylContact C-O 3.56Å; A468-E525 VanDerWaalsContact CA-O 3.25Å; A468-E525 WeakPolarHBondContact CA-O 3.26Å; R469-E525 IonicContact CZ-OE2 3.13Å; R469-E525 PolarHBondContact N-O 2.81Å; R469-E525 IonicContact NE-OE2 2.65Å; R469-E525 PolarHBondContact NE-OE2 2.84Å; R469-E525 IonicContact NH2-OE2 2.66Å; R469-E525 PolarHBondContact NH2-OE2 3.34Å; R469-E525 PolarHBondContact O-N 3.15Å; K523-E525 HydrophobicContact CD-CG 4.07Å; K523-E525 WeakPolarHBondContact CE-OE1 3.3Å; K523-E525 HydrophobicContact CG-CG 4.28Å; K523-E525 IonicContact NZ-OE1 3.7Å; K523-E525 PolarHBondContact NZ-OE1 2.81Å; E525-F527 HydrophobicContact CB-CE2 3.73Å; E525-F527 HydrophobicContact CB-CZ 4.44Å; E525-F539 HydrophobicContact CB-CE2 4.11Å; E525-F539 HydrophobicContact CG-CE2 4.32Å |
| 526 | F | 94 | Very high | 81.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.5 | -176 | -62.6 | -84.5 | 0 | 0 | 0 | 111.7 | V454 L466 Y467 A468 V524 I540 G541 A543 M575 L591 | V454-F526 HydrophobicContact CG1-CE1 3.83Å; V454-F526 HydrophobicContact CG1-CZ 4.29Å; L466-F526 HydrophobicContact CD1-CB 4.36Å; L466-F526 HydrophobicContact CD1-CD1 4.17Å; L466-F526 HydrophobicContact CD2-CD1 4.01Å; L466-F526 HydrophobicContact CG-CD1 4.38Å; Y467-F526 WeakPolarHBondContact O-CA 3.39Å; A468-F526 HydrophobicContact CB-CD1 3.74Å; A468-F526 HydrophobicContact CB-CE1 3.63Å; V524-F526 HydrophobicContact CG1-CE1 4.45Å; V524-F526 HydrophobicContact CG1-CE2 4.27Å; V524-F526 HydrophobicContact CG1-CZ 4.03Å; F526-I540 HydrophobicContact CB-CB 4.17Å; F526-I540 HydrophobicContact CB-CD1 4.38Å; F526-I540 PolarHBondContact O-N 3.01Å; F526-G541 PolarHBondContact N-O 3.38Å; F526-A543 HydrophobicContact CE2-CB 4.02Å; F526-M575 HydrophobicContact CB-CE 4.49Å; F526-M575 HydrophobicContact CD1-CE 3.91Å; F526-M575 HydrophobicContact CD2-CE 3.76Å; F526-M575 HydrophobicContact CD2-CG 4.43Å; F526-M575 HydrophobicContact CE1-CE 3.94Å; F526-M575 HydrophobicContact CE1-SD 4.35Å; F526-M575 HydrophobicContact CE2-CB 4.42Å; F526-M575 HydrophobicContact CE2-CE 3.82Å; F526-M575 HydrophobicContact CE2-CG 3.72Å; F526-M575 HydrophobicContact CE2-SD 4.2Å; F526-M575 HydrophobicContact CG-CE 3.79Å; F526-M575 HydrophobicContact CZ-CE 3.88Å; F526-M575 HydrophobicContact CZ-CG 3.93Å; F526-M575 HydrophobicContact CZ-SD 3.97Å; F526-L591 HydrophobicContact CE1-CD1 4.43Å; F526-L591 HydrophobicContact CZ-CB 4.16Å; F526-L591 HydrophobicContact CZ-CD1 4.1Å; F526-L591 HydrophobicContact CZ-CD2 3.99Å; F526-L591 HydrophobicContact CZ-CG 4.3Å |
| 527 | F | 92.6 | Very high | 81.4 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.4 | -173.2 | -69.5 | -89.1 | 0 | 0 | 0 | 111.7 | L466 Y467 R469 E525 D537 S538 F539 I540 | L466-F527 VanDerWaalsContact CA-O 3.31Å; L466-F527 WeakPolarHBondContact CA-O 3.27Å; Y467-F527 HydrophobicContact CD1-CB 3.98Å; Y467-F527 HydrophobicContact CE1-CB 3.44Å; Y467-F527 VanDerWaalsContact CE1-CB 3.44Å; Y467-F527 HydrophobicContact CE1-CG 4.34Å; Y467-F527 HydrophobicContact CE2-CB 4.25Å; Y467-F527 HydrophobicContact CE2-CD2 4.22Å; Y467-F527 AromaticContact CZ-CG 3.98Å; Y467-F527 PolarHBondContact N-O 2.92Å; Y467-F527 PolarHBondContact O-N 3.36Å; R469-F527 HydrophobicContact CB-CD2 4.37Å; R469-F527 HydrophobicContact CB-CE2 4.21Å; E525-F527 HydrophobicContact CB-CE2 3.73Å; E525-F527 HydrophobicContact CB-CZ 4.44Å; F527-D537 HydrophobicContact CB-CB 4.35Å; F527-D537 HydrophobicContact CD1-CB 4.07Å; F527-S538 CarbonylContact C-O 3.55Å; F527-S538 VanDerWaalsContact CA-O 3.29Å; F527-S538 WeakPolarHBondContact CA-O 3.19Å; F527-F539 HydrophobicContact CD1-CB 4.24Å; F527-F539 HydrophobicContact CD1-CD2 4.5Å; F527-F539 HydrophobicContact CE1-CB 3.91Å; F527-F539 AromaticContact CE1-CD2 3.93Å; F527-F539 HydrophobicContact CE1-CD2 3.93Å; F527-F539 HydrophobicContact CE1-CG 4.41Å; F527-F539 HydrophobicContact CE2-CD2 4.32Å; F527-F539 AromaticContact CZ-CD2 3.82Å; F527-F539 HydrophobicContact CZ-CD2 3.82Å; F527-I540 VanDerWaalsContact C-CD1 3.47Å |
| 528 | D | 89.6 | Confident | 81.1 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 5% | 0.048 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128 | 175.6 | 178.4 | 31.7 | 0 | 0 | 0 | 111 | H462 L464 Q465 S530 S538 I540 | H462-D528 IonicContact CD2-OD2 3.09Å; H462-D528 IonicContact CE1-OD2 2.71Å; H462-D528 IonicContact NE2-OD2 3.08Å; H462-D528 PolarHBondContact NE2-OD2 2.71Å; L464-D528 HydrophobicContact CD2-CB 3.99Å; Q465-D528 PolarHBondContact N-OD1 2.98Å; D528-S530 VanDerWaalsContact OD1-CB 3.26Å; D528-S530 WeakPolarHBondContact OD1-CB 3.45Å; D528-S530 PolarHBondContact OD1-N 3.25Å; D528-S530 PolarHBondContact OD1-OG 2.92Å; D528-S530 VanDerWaalsContact OD2-CB 3.31Å; D528-S530 WeakPolarHBondContact OD2-CB 3.43Å; D528-S530 PolarHBondContact OD2-OG 2.77Å; D528-S538 PolarHBondContact N-O 3.12Å; D528-S538 PolarHBondContact O-N 3.15Å; D528-I540 HydrophobicContact CB-CD1 3.86Å; D528-I540 HydrophobicContact CB-CG1 4Å |
| 529 | R | 86.8 | Confident | 81 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 27% | 0.268 | 37% | 0.365 | S | S | . | . | trans | -111.6 | 29.3 | 174.9 | -161.2 | 173.9 | -72.1 | 179.2 | -4.6 | 112.6 | Q465 P486 Q531 G532 D537 | Q465-R529 HydrophobicContact CB-CB 4.46Å; Q465-R529 PolarHBondContact O-N 2.75Å; P486-R529 HydrophobicContact CG-CB 4.22Å; R529-Q531 PolarHBondContact O-N 2.97Å; R529-Q531 VanDerWaalsContact O-N 3.12Å; R529-G532 PolarHBondContact O-N 3.26Å; R529-G532 VanDerWaalsContact O-N 3.12Å; R529-D537 WeakPolarHBondContact CB-OD1 3.42Å; R529-D537 WeakPolarHBondContact CG-OD1 3.46Å; R529-D537 IonicContact CZ-OD1 2.83Å; R529-D537 IonicContact CZ-OD2 3.52Å; R529-D537 IonicContact NE-OD1 2.71Å; R529-D537 PolarHBondContact NE-OD1 2.8Å; R529-D537 IonicContact NE-OD2 3.56Å; R529-D537 IonicContact NH2-OD1 3.43Å; R529-D537 PolarHBondContact NH2-OD1 2.81Å; R529-D537 IonicContact NH2-OD2 2.67Å; R529-D537 PolarHBondContact NH2-OD2 3.41Å | ||
| 530 | S | 75.1 | Confident | 80.9 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.8 | -177.8 | 56.3 | 0 | 0 | 0 | 0 | 115 | H462 D528 G532 | H462-S530 PolarHBondContact NE2-OG 3.04Å; D528-S530 VanDerWaalsContact OD1-CB 3.26Å; D528-S530 WeakPolarHBondContact OD1-CB 3.45Å; D528-S530 PolarHBondContact OD1-N 3.25Å; D528-S530 PolarHBondContact OD1-OG 2.92Å; D528-S530 VanDerWaalsContact OD2-CB 3.31Å; D528-S530 WeakPolarHBondContact OD2-CB 3.43Å; D528-S530 PolarHBondContact OD2-OG 2.77Å; S530-G532 VanDerWaalsContact C-N 3.31Å; S530-G532 PolarHBondContact O-N 2.94Å |
| 531 | Q | 66.3 | Low | 81 | Confident | 169 Ų | 169 | 58.4 Ų | 58.4 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 7.1 | 179.9 | -62.1 | -170.6 | 21 | 0 | 0 | 114.5 | R529 A535 | R529-Q531 PolarHBondContact O-N 2.97Å; R529-Q531 VanDerWaalsContact O-N 3.12Å; Q531-A535 HydrophobicContact CB-CB 3.46Å; Q531-A535 VanDerWaalsContact CB-CB 3.46Å |
| 532 | G | 58.1 | Low | 81.1 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | trans | 87.1 | 177 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R529 S530 L534 A535 | R529-G532 PolarHBondContact O-N 3.26Å; R529-G532 VanDerWaalsContact O-N 3.12Å; S530-G532 VanDerWaalsContact C-N 3.31Å; S530-G532 PolarHBondContact O-N 2.94Å; G532-L534 VanDerWaalsContact C-N 3.27Å; G532-L534 PolarHBondContact O-N 3.3Å; G532-A535 PolarHBondContact O-N 3.43Å | ||
| 533 | T | 54.6 | Low | 81.2 | Confident | 125 Ų | 125 | 57.4 Ų | 57.4 | 77% | 0.767 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.8 | -165.8 | 48.5 | 0 | 0 | 0 | 0 | 116.2 | ||
| 534 | L | 49.2 | Very low | 81.2 | Confident | 174 Ų | 174 | 57.1 Ų | 57.1 | 91% | 0.911 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -1.1 | 174.3 | -71.9 | 88 | 0 | 0 | 0 | 112.9 | G532 | G532-L534 VanDerWaalsContact C-N 3.27Å; G532-L534 PolarHBondContact O-N 3.3Å |
| 535 | A | 56.8 | Low | 81.2 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -96.5 | 153.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q531 G532 | Q531-A535 HydrophobicContact CB-CB 3.46Å; Q531-A535 VanDerWaalsContact CB-CB 3.46Å; G532-A535 PolarHBondContact O-N 3.43Å |
| 536 | T | 67 | Low | 81.2 | Confident | 137 Ų | 137 | 57.5 Ų | 57.5 | 84% | 0.84 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 132.5 | 174.6 | 49.2 | 0 | 0 | 0 | 0 | 111.3 | S538 | T536-S538 PolarHBondContact O-N 2.8Š|
| 537 | D | 83.8 | Confident | 81.1 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 127.9 | 175.5 | -69.4 | -49.8 | 0 | 0 | 0 | 112 | Y467 F527 R529 | Y467-D537 PolarHBondContact OH-OD2 2.67Å; Y467-D537 VanDerWaalsContact OH-OD2 3.13Å; F527-D537 HydrophobicContact CB-CB 4.35Å; F527-D537 HydrophobicContact CD1-CB 4.07Å; R529-D537 WeakPolarHBondContact CB-OD1 3.42Å; R529-D537 WeakPolarHBondContact CG-OD1 3.46Å; R529-D537 IonicContact CZ-OD1 2.83Å; R529-D537 IonicContact CZ-OD2 3.52Å; R529-D537 IonicContact NE-OD1 2.71Å; R529-D537 PolarHBondContact NE-OD1 2.8Å; R529-D537 IonicContact NE-OD2 3.56Å; R529-D537 IonicContact NH2-OD1 3.43Å; R529-D537 PolarHBondContact NH2-OD1 2.81Å; R529-D537 IonicContact NH2-OD2 2.67Å; R529-D537 PolarHBondContact NH2-OD2 3.41Å |
| 538 | S | 85.3 | Confident | 81.2 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.7 | 179 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | F527 D528 T536 | F527-S538 CarbonylContact C-O 3.55Å; F527-S538 VanDerWaalsContact CA-O 3.29Å; F527-S538 WeakPolarHBondContact CA-O 3.19Å; D528-S538 PolarHBondContact N-O 3.12Å; D528-S538 PolarHBondContact O-N 3.15Å; T536-S538 PolarHBondContact O-N 2.8Å |
| 539 | F | 90 | Very high | 81.3 | Confident | 85 Ų | 85 | 58 Ų | 58 | 37% | 0.373 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.9 | 176.1 | 176.9 | -109.6 | 0 | 0 | 0 | 111.3 | E525 F527 G541 Y542 | E525-F539 HydrophobicContact CB-CE2 4.11Å; E525-F539 HydrophobicContact CG-CE2 4.32Å; F527-F539 HydrophobicContact CD1-CB 4.24Å; F527-F539 HydrophobicContact CD1-CD2 4.5Å; F527-F539 HydrophobicContact CE1-CB 3.91Å; F527-F539 AromaticContact CE1-CD2 3.93Å; F527-F539 HydrophobicContact CE1-CD2 3.93Å; F527-F539 HydrophobicContact CE1-CG 4.41Å; F527-F539 HydrophobicContact CE2-CD2 4.32Å; F527-F539 AromaticContact CZ-CD2 3.82Å; F527-F539 HydrophobicContact CZ-CD2 3.82Å; F539-G541 WeakPolarHBondContact CE2-O 3.3Å; F539-G541 VanDerWaalsContact CZ-C 3.49Å; F539-G541 WeakPolarHBondContact CZ-O 3.06Å; F539-Y542 HydrophobicContact CZ-CD1 4.31Å |
| 540 | I | 88 | Confident | 81.6 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -41.5 | -176.6 | -48.7 | 176.3 | 0 | 0 | 0 | 111.3 | F460 L464 L466 F526 F527 D528 I588 | F460-I540 HydrophobicContact CE1-CG2 3.86Å; F460-I540 HydrophobicContact CE2-CG2 4Å; F460-I540 HydrophobicContact CZ-CG2 3.34Å; L464-I540 HydrophobicContact CD1-CD1 4.44Å; L464-I540 HydrophobicContact CD2-CD1 4.45Å; L466-I540 HydrophobicContact CB-CD1 4.42Å; L466-I540 HydrophobicContact CD1-CD1 3.7Å; L466-I540 HydrophobicContact CG-CD1 4.08Å; F526-I540 HydrophobicContact CB-CB 4.17Å; F526-I540 HydrophobicContact CB-CD1 4.38Å; F526-I540 PolarHBondContact O-N 3.01Å; F527-I540 VanDerWaalsContact C-CD1 3.47Å; D528-I540 HydrophobicContact CB-CD1 3.86Å; D528-I540 HydrophobicContact CB-CG1 4Å; I540-I588 HydrophobicContact CG2-CD1 3.73Å |
| 541 | G | 91.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.1 | -170.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F526 F539 L576 | F526-G541 PolarHBondContact N-O 3.38Å; F539-G541 WeakPolarHBondContact CE2-O 3.3Å; F539-G541 VanDerWaalsContact CZ-C 3.49Å; F539-G541 WeakPolarHBondContact CZ-O 3.06Å; G541-L576 CarbonylContact C-O 3.59Å; G541-L576 WeakPolarHBondContact CA-O 3.44Å |
| 542 | Y | 95.2 | Very high | 83.3 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 160.1 | -177.7 | 68.9 | -85.5 | 0 | 0 | 0 | 113.5 | K523 V524 F539 L544 M575 L576 L585 | K523-Y542 HydrophobicContact CG-CD2 4.12Å; K523-Y542 HydrophobicContact CG-CG 4.38Å; V524-Y542 CarbonylContact O-C 3.56Å; V524-Y542 WeakPolarHBondContact O-CA 3.5Å; V524-Y542 VanDerWaalsContact O-CB 3.31Å; V524-Y542 WeakPolarHBondContact O-CB 3.26Å; F539-Y542 HydrophobicContact CZ-CD1 4.31Å; Y542-L544 HydrophobicContact CD2-CD2 4.26Å; Y542-L544 HydrophobicContact CD2-CG 4.17Å; Y542-L544 HydrophobicContact CE2-CD1 4.21Å; Y542-L544 HydrophobicContact CE2-CD2 4.32Å; Y542-L544 HydrophobicContact CE2-CG 4.02Å; Y542-M575 CarbonylContact O-C 3.52Å; Y542-L576 HydrophobicContact CE1-CB 4.46Å; Y542-L576 HydrophobicContact CE2-CD1 4.35Å; Y542-L576 PolarHBondContact N-O 2.85Å; Y542-L576 PolarHBondContact O-N 3.41Å; Y542-L585 HydrophobicContact CE1-CD2 4.5Å |
| 543 | A | 95.7 | Very high | 84.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 157.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K523 V524 F526 V573 M575 L591 | K523-A543 WeakPolarHBondContact CA-O 3.44Å; V524-A543 PolarHBondContact N-O 3.3Å; V524-A543 PolarHBondContact O-N 2.82Å; F526-A543 HydrophobicContact CE2-CB 4.02Å; A543-V573 HydrophobicContact CB-CG2 4.05Å; A543-M575 HydrophobicContact CB-CG 4.36Å; A543-L591 HydrophobicContact CB-CB 4.4Å; A543-L591 HydrophobicContact CB-CD2 3.97Å |
| 544 | L | 95.2 | Very high | 86.2 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 42% | 0.419 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 112.9 | 179 | -65.6 | 175.7 | 0 | 0 | 0 | 110 | L522 K523 Y542 | L522-L544 WeakPolarHBondContact O-CA 3.33Å; K523-L544 HydrophobicContact CB-CD2 3.97Å; K523-L544 HydrophobicContact CG-CD2 4.09Å; Y542-L544 HydrophobicContact CD2-CD2 4.26Å; Y542-L544 HydrophobicContact CD2-CG 4.17Å; Y542-L544 HydrophobicContact CE2-CD1 4.21Å; Y542-L544 HydrophobicContact CE2-CD2 4.32Å; Y542-L544 HydrophobicContact CE2-CG 4.02Å |
| 545 | I | 95.7 | Very high | 88 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.3 | 179.4 | -65.1 | 170 | 0 | 0 | 0 | 110.5 | L451 L522 V524 L547 V573 L591 Y593 L595 | L451-I545 HydrophobicContact CD2-CD1 3.92Å; L522-I545 HydrophobicContact CB-CB 4.21Å; L522-I545 HydrophobicContact CD2-CD1 4.37Å; L522-I545 PolarHBondContact N-O 2.94Å; L522-I545 PolarHBondContact O-N 2.84Å; V524-I545 HydrophobicContact CG2-CD1 3.92Å; I545-L547 HydrophobicContact CG2-CD2 3.99Å; I545-L547 PolarHBondContact O-N 3.3Å; I545-L547 VanDerWaalsContact O-N 3.09Å; I545-V573 HydrophobicContact CG1-CG2 3.79Å; I545-L591 HydrophobicContact CD1-CD2 3.88Å; I545-L591 HydrophobicContact CG1-CD2 4.4Å; I545-Y593 HydrophobicContact CD1-CD1 4.17Å; I545-Y593 HydrophobicContact CD1-CD2 4.12Å; I545-Y593 HydrophobicContact CD1-CG 3.82Å; I545-Y593 HydrophobicContact CG1-CD1 4.15Å; I545-Y593 HydrophobicContact CG1-CD2 4.42Å; I545-Y593 HydrophobicContact CG1-CE1 4.33Å; I545-Y593 HydrophobicContact CG1-CG 4.21Å; I545-Y593 HydrophobicContact CG2-CD2 3.74Å; I545-Y593 HydrophobicContact CG2-CE1 4.41Å; I545-Y593 HydrophobicContact CG2-CE2 3.4Å; I545-Y593 VanDerWaalsContact CG2-CE2 3.4Å; I545-Y593 HydrophobicContact CG2-CG 4.36Å; I545-L595 HydrophobicContact CG2-CD1 3.96Å; I545-L595 HydrophobicContact CG2-CD2 4.14Å |
| 546 | P | 94.1 | Very high | 89.1 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 29% | 0.292 | 27% | 0.272 | S | S | . | . | trans | -78.7 | 89.6 | 177.4 | 32 | -34.3 | 0 | 0 | 0 | 111.6 | V548 S549 | P546-V548 PolarHBondContact O-N 3.47Å; P546-S549 PolarHBondContact O-N 3.34Å; P546-S549 VanDerWaalsContact O-N 3.14Å; P546-S549 PolarHBondContact O-OG 3.16Å | ||
| 547 | L | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -61.7 | -19 | -176.9 | -65.1 | -173.3 | 0 | 0 | 0 | 114.6 | Y447 I449 Y472 F475 L517 L522 I545 S549 L595 | Y447-L547 HydrophobicContact CE1-CD2 4.03Å; Y447-L547 WeakPolarHBondContact OH-CA 3.03Å; Y447-L547 PolarHBondContact OH-O 3.31Å; I449-L547 HydrophobicContact CD1-CD2 4.35Å; I449-L547 HydrophobicContact CG1-CD2 4.3Å; Y472-L547 HydrophobicContact CD1-CD1 4.1Å; Y472-L547 HydrophobicContact CD2-CD1 4.47Å; Y472-L547 HydrophobicContact CE1-CD1 3.56Å; Y472-L547 HydrophobicContact CE2-CD1 3.99Å; F475-L547 HydrophobicContact CE2-CD1 4.15Å; F475-L547 HydrophobicContact CZ-CD1 4.03Å; L517-L547 HydrophobicContact CB-CB 4.13Å; L517-L547 HydrophobicContact CD1-CB 4.26Å; L517-L547 HydrophobicContact CD2-CB 3.92Å; L517-L547 HydrophobicContact CD2-CD1 3.92Å; L517-L547 HydrophobicContact CG-CB 4.32Å; L522-L547 HydrophobicContact CB-CD1 3.96Å; L522-L547 HydrophobicContact CB-CD2 4.12Å; L522-L547 HydrophobicContact CB-CG 3.88Å; L522-L547 HydrophobicContact CD2-CD2 4.16Å; I545-L547 HydrophobicContact CG2-CD2 3.99Å; I545-L547 PolarHBondContact O-N 3.3Å; I545-L547 VanDerWaalsContact O-N 3.09Å; L547-S549 VanDerWaalsContact C-N 3.31Å; L547-S549 PolarHBondContact O-N 2.77Å; L547-L595 HydrophobicContact CD2-CD1 3.89Å; L547-L595 HydrophobicContact CD2-CD2 3.53Å; L547-L595 HydrophobicContact CD2-CG 4.35Å |
| 548 | V | 93.4 | Very high | 88.8 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -65.5 | -29.7 | 175.9 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | K514 L517 N518 P546 V550 F551 | K514-V548 HydrophobicContact CG-CG2 3.93Å; L517-V548 HydrophobicContact CB-CB 4.32Å; N518-V548 HydrophobicContact CB-CB 4.23Å; N518-V548 HydrophobicContact CB-CG1 4.43Å; N518-V548 HydrophobicContact CB-CG2 4.16Å; P546-V548 PolarHBondContact O-N 3.47Å; V548-V550 PolarHBondContact O-N 2.97Å; V548-F551 WeakPolarHBondContact O-CB 3.45Å; V548-F551 PolarHBondContact O-N 3.44Å |
| 549 | S | 92.3 | Very high | 87.7 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -61.8 | -19.7 | -172.9 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | P546 L547 F551 E552 S553 | P546-S549 PolarHBondContact O-N 3.34Å; P546-S549 VanDerWaalsContact O-N 3.14Å; P546-S549 PolarHBondContact O-OG 3.16Å; L547-S549 VanDerWaalsContact C-N 3.31Å; L547-S549 PolarHBondContact O-N 2.77Å; S549-F551 PolarHBondContact O-N 3.35Å; S549-E552 WeakPolarHBondContact O-CB 3.34Å; S549-E552 PolarHBondContact O-N 3.39Å; S549-S553 PolarHBondContact O-N 3.43Å |
| 550 | V | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -61.1 | -27.7 | 172.4 | 77.8 | 0 | 0 | 0 | 0 | 112.7 | Y447 V548 E552 S553 R567 I569 L595 L597 | Y447-V550 HydrophobicContact CE2-CG1 3.75Å; Y447-V550 WeakPolarHBondContact OH-CG1 3.44Å; V548-V550 PolarHBondContact O-N 2.97Å; V550-E552 VanDerWaalsContact C-N 3.28Å; V550-E552 PolarHBondContact O-N 2.89Å; V550-S553 PolarHBondContact O-N 2.93Å; V550-S553 PolarHBondContact O-OG 3.48Å; V550-R567 HydrophobicContact CG2-CB 4.09Å; V550-R567 VanDerWaalsContact O-CD 3.26Å; V550-R567 WeakPolarHBondContact O-CD 3.45Å; V550-I569 HydrophobicContact CB-CG2 4.14Å; V550-I569 HydrophobicContact CG2-CG2 4.29Å; V550-L595 HydrophobicContact CB-CB 4.4Å; V550-L595 HydrophobicContact CG2-CB 4.41Å; V550-L597 HydrophobicContact CG1-CB 3.9Å; V550-L597 HydrophobicContact CG1-CD2 3.96Å; V550-L597 HydrophobicContact CG2-CB 3.77Å |
| 551 | F | 89.8 | Confident | 84.5 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -71.9 | -20.6 | 175.5 | -79.6 | -82.7 | 0 | 0 | 0 | 113.7 | L513 K514 L517 V548 S549 R567 L597 | L513-F551 HydrophobicContact CD2-CZ 4.01Å; L513-F551 HydrophobicContact CG-CE2 4.29Å; L513-F551 HydrophobicContact CG-CZ 4.12Å; K514-F551 HydrophobicContact CB-CE2 4.33Å; K514-F551 HydrophobicContact CB-CZ 4.5Å; K514-F551 HydrophobicContact CG-CD2 4.23Å; K514-F551 HydrophobicContact CG-CG 4.43Å; L517-F551 HydrophobicContact CD1-CE2 4.19Å; V548-F551 WeakPolarHBondContact O-CB 3.45Å; V548-F551 PolarHBondContact O-N 3.44Å; S549-F551 PolarHBondContact O-N 3.35Å; F551-R567 PolarHBondContact O-NH1 3.08Å; F551-L597 HydrophobicContact CD1-CD2 4.36Å; F551-L597 HydrophobicContact CD2-CD2 4.35Å; F551-L597 HydrophobicContact CE1-CD2 3.85Å; F551-L597 HydrophobicContact CE2-CD2 3.84Å; F551-L597 HydrophobicContact CZ-CD2 3.57Å |
| 552 | E | 87.5 | Confident | 83 | Confident | 145 Ų | 145 | 67.6 Ų | 67.6 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -27.7 | 179.2 | -53.3 | -174.9 | 149.5 | 0 | 0 | 110.7 | S549 V550 | S549-E552 WeakPolarHBondContact O-CB 3.34Å; S549-E552 PolarHBondContact O-N 3.39Å; V550-E552 VanDerWaalsContact C-N 3.28Å; V550-E552 PolarHBondContact O-N 2.89Å |
| 553 | S | 87.8 | Confident | 81.8 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -62.4 | 143.4 | 173.9 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | S549 V550 R567 R568 | S549-S553 PolarHBondContact O-N 3.43Å; V550-S553 PolarHBondContact O-N 2.93Å; V550-S553 PolarHBondContact O-OG 3.48Å; S553-R567 PolarHBondContact O-NH1 3.38Å; S553-R568 WeakPolarHBondContact CB-O 3.42Å; S553-R568 PolarHBondContact OG-N 3.2Å; S553-R568 PolarHBondContact OG-O 3.06Å |
| 554 | P | 87.1 | Confident | 81.1 | Confident | 101 Ų | 101 | 70 Ų | 70 | 66% | 0.656 | 38% | 0.382 | S | S | * | . | trans | -66.5 | 156.8 | 179 | 28.4 | -35.4 | 0 | 0 | 0 | 112.2 | V556 | P554-V556 PolarHBondContact O-N 3Š| ||
| 555 | I | 86.3 | Confident | 80.6 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 111.9 | 177.1 | -60.6 | 171.8 | 0 | 0 | 0 | 108.8 | K557 A558 L565 V566 R567 | I555-K557 WeakPolarHBondContact CG2-O 3.44Å; I555-A558 HydrophobicContact CG2-CB 4.22Å; I555-L565 HydrophobicContact CD1-CD1 4.29Å; I555-L565 HydrophobicContact CG2-CB 4.34Å; I555-L565 HydrophobicContact CG2-CD2 4.44Å; I555-V566 CarbonylContact C-O 3.56Å; I555-V566 WeakPolarHBondContact CA-O 3.47Å; I555-R567 HydrophobicContact CG1-CG 4.04Å |
| 556 | V | 79.8 | Confident | 80.4 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -31.5 | -175.8 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | P554 V566 R568 | P554-V556 PolarHBondContact O-N 3Å; V556-V566 PolarHBondContact N-O 3.36Å; V556-R568 HydrophobicContact CG2-CB 4.23Å |
| 557 | K | 76.4 | Confident | 80.3 | Confident | 139 Ų | 139 | 71 Ų | 71 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.3 | 173.5 | -61.9 | -177.7 | -179.6 | 177.4 | 0 | 110.7 | I555 V566 | I555-K557 WeakPolarHBondContact CG2-O 3.44Å; K557-V566 HydrophobicContact CB-CB 4.16Å; K557-V566 HydrophobicContact CB-CG2 4.27Å; K557-V566 PolarHBondContact N-O 3.5Å; K557-V566 PolarHBondContact O-N 2.92Å |
| 558 | A | 68.6 | Low | 80.3 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 104.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | I555 K560 T564 L565 | I555-A558 HydrophobicContact CG2-CB 4.22Å; A558-K560 PolarHBondContact O-N 3.32Å; A558-T564 WeakPolarHBondContact CA-O 3.5Å; A558-L565 HydrophobicContact CB-CD2 3.77Å |
| 559 | T | 61.4 | Low | 80.3 | Confident | 68 Ų | 68 | 77.5 Ų | 77.5 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | trans | -92 | 106.4 | -172.5 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | E561 S562 S563 T564 | T559-E561 PolarHBondContact O-N 2.64Å; T559-S562 PolarHBondContact O-N 2.78Å; T559-S562 VanDerWaalsContact O-N 3.08Å; T559-S563 PolarHBondContact O-N 3.32Å; T559-S563 VanDerWaalsContact O-N 3.09Å; T559-T564 PolarHBondContact N-O 3.21Å; T559-T564 VanDerWaalsContact N-O 3.14Å | ||
| 560 | K | 57.7 | Low | 80.4 | Confident | 214 Ų | 214 | 81.2 Ų | 81.2 | 93% | 0.93 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -28.8 | -177.4 | -71.9 | -173.4 | 177.4 | -179.5 | 0 | 114.4 | A558 | A558-K560 PolarHBondContact O-N 3.32Š|
| 561 | E | 54.7 | Low | 80.5 | Confident | 194 Ų | 194 | 84.3 Ų | 84.3 | 91% | 0.907 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -14.9 | -175.3 | -64.2 | 170.2 | 176 | 0 | 0 | 113.9 | T559 | T559-E561 PolarHBondContact O-N 2.64Š|
| 562 | S | 58.9 | Low | 80.7 | Confident | 69 Ų | 69 | 85.4 Ų | 85.4 | 48% | 0.483 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -0.6 | -173.7 | -170 | 0 | 0 | 0 | 0 | 113.9 | T559 T564 | T559-S562 PolarHBondContact O-N 2.78Å; T559-S562 VanDerWaalsContact O-N 3.08Å; S562-T564 PolarHBondContact O-N 3.42Å; S562-T564 PolarHBondContact O-OG1 3.12Å; S562-T564 PolarHBondContact OG-OG1 2.94Å |
| 563 | S | 69.6 | Low | 81.1 | Confident | 76 Ų | 76 | 79.7 Ų | 79.7 | 53% | 0.531 | 42% | 0.422 | S | S | . | . | trans | 57.4 | 0 | -173 | 70.1 | 0 | 0 | 0 | 0 | 116.8 | T559 L565 | T559-S563 PolarHBondContact O-N 3.32Å; T559-S563 VanDerWaalsContact O-N 3.09Å; S563-L565 PolarHBondContact O-N 2.99Å | ||
| 564 | T | 80 | Confident | 81.4 | Confident | 14 Ų | 14 | 82.5 Ų | 82.5 | 9% | 0.086 | 44% | 0.437 | C | S | . | . | trans | -67.4 | 130.3 | -177.8 | -38.2 | 0 | 0 | 0 | 0 | 112.3 | A558 T559 S562 V566 D599 F600 | A558-T564 WeakPolarHBondContact CA-O 3.5Å; T559-T564 PolarHBondContact N-O 3.21Å; T559-T564 VanDerWaalsContact N-O 3.14Å; S562-T564 PolarHBondContact O-N 3.42Å; S562-T564 PolarHBondContact O-OG1 3.12Å; S562-T564 PolarHBondContact OG-OG1 2.94Å; T564-V566 HydrophobicContact CG2-CG2 4.38Å; T564-D599 CarbonylContact C-O 3.59Å; T564-D599 VanDerWaalsContact CA-O 3.25Å; T564-D599 WeakPolarHBondContact CA-O 3.4Å; T564-F600 HydrophobicContact CG2-CD1 3.85Å; T564-F600 HydrophobicContact CG2-CE1 3.95Å; T564-F600 HydrophobicContact CG2-CG 4.37Å | ||
| 565 | L | 86.6 | Confident | 81.7 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 30% | 0.298 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.5 | 172.2 | -53.6 | 176.5 | 0 | 0 | 0 | 109.2 | I555 A558 S563 D599 | I555-L565 HydrophobicContact CD1-CD1 4.29Å; I555-L565 HydrophobicContact CG2-CB 4.34Å; I555-L565 HydrophobicContact CG2-CD2 4.44Å; A558-L565 HydrophobicContact CB-CD2 3.77Å; S563-L565 PolarHBondContact O-N 2.99Å; L565-D599 HydrophobicContact CB-CB 4.38Å; L565-D599 PolarHBondContact N-O 3.11Å; L565-D599 PolarHBondContact O-N 3.36Å |
| 566 | V | 90.6 | Very high | 82 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.6 | 179.6 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | I555 V556 K557 T564 Q596 L597 E598 | I555-V566 CarbonylContact C-O 3.56Å; I555-V566 WeakPolarHBondContact CA-O 3.47Å; V556-V566 PolarHBondContact N-O 3.36Å; K557-V566 HydrophobicContact CB-CB 4.16Å; K557-V566 HydrophobicContact CB-CG2 4.27Å; K557-V566 PolarHBondContact N-O 3.5Å; K557-V566 PolarHBondContact O-N 2.92Å; T564-V566 HydrophobicContact CG2-CG2 4.38Å; V566-Q596 HydrophobicContact CG1-CG 3.94Å; V566-L597 WeakPolarHBondContact CA-O 3.23Å; V566-E598 HydrophobicContact CG1-CG 4.24Å; V566-E598 HydrophobicContact CG2-CB 4.45Å; V566-E598 HydrophobicContact CG2-CG 4.08Å |
| 567 | R | 93.1 | Very high | 82.3 | Confident | 72 Ų | 72 | 72.2 Ų | 72.2 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 150.6 | 170.6 | -68.4 | -175.9 | -171.1 | -110.4 | 13.1 | 110 | V550 F551 S553 I555 Q596 L597 | V550-R567 HydrophobicContact CG2-CB 4.09Å; V550-R567 VanDerWaalsContact O-CD 3.26Å; V550-R567 WeakPolarHBondContact O-CD 3.45Å; F551-R567 PolarHBondContact O-NH1 3.08Å; S553-R567 PolarHBondContact O-NH1 3.38Å; I555-R567 HydrophobicContact CG1-CG 4.04Å; R567-Q596 WeakPolarHBondContact O-CA 3.49Å; R567-L597 HydrophobicContact CB-CB 4.49Å; R567-L597 PolarHBondContact N-O 3.05Å; R567-L597 PolarHBondContact O-N 3.04Å |
| 568 | R | 92.6 | Very high | 81.9 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 45% | 0.445 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 136.7 | 178.3 | -173.2 | -171.9 | -71.3 | -176.4 | -8 | 111.2 | S553 V556 L595 Q596 | S553-R568 WeakPolarHBondContact CB-O 3.42Å; S553-R568 PolarHBondContact OG-N 3.2Å; S553-R568 PolarHBondContact OG-O 3.06Å; V556-R568 HydrophobicContact CG2-CB 4.23Å; R568-L595 CarbonylContact C-O 3.53Å; R568-L595 VanDerWaalsContact CA-O 3.28Å; R568-L595 WeakPolarHBondContact CA-O 3.48Å; R568-Q596 HydrophobicContact CG-CB 4.36Å |
| 569 | I | 93.4 | Very high | 81.5 | Confident | 36 Ų | 36 | 74.2 Ų | 74.2 | 19% | 0.185 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.6 | 169.7 | -176.8 | 169.5 | 0 | 0 | 0 | 109.8 | V550 D571 S594 L595 | V550-I569 HydrophobicContact CB-CG2 4.14Å; V550-I569 HydrophobicContact CG2-CG2 4.29Å; I569-D571 HydrophobicContact CD1-CB 4.44Å; I569-D571 HydrophobicContact CG1-CB 4.18Å; I569-S594 WeakPolarHBondContact O-CA 3.24Å; I569-L595 HydrophobicContact CG2-CB 3.69Å; I569-L595 HydrophobicContact CG2-CD1 3.95Å; I569-L595 HydrophobicContact CG2-CG 4.08Å; I569-L595 PolarHBondContact N-O 3.36Å; I569-L595 PolarHBondContact O-N 2.81Å |
| 570 | N | 93.6 | Very high | 80.9 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.4 | 173.6 | -66.7 | -18.2 | 0 | 0 | 0 | 106.3 | R452 S594 | R452-N570 PolarHBondContact NH1-OD1 3.29Å; R452-N570 VanDerWaalsContact NH2-CB 3.33Å; R452-N570 PolarHBondContact NH2-OD1 2.84Å; N570-S594 PolarHBondContact OD1-OG 3.48Å |
| 571 | D | 94.4 | Very high | 80.5 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 35% | 0.348 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 174.1 | -168.2 | -173.4 | 35.8 | 0 | 0 | 0 | 110.7 | I569 Y593 | I569-D571 HydrophobicContact CD1-CB 4.44Å; I569-D571 HydrophobicContact CG1-CB 4.18Å; D571-Y593 VanDerWaalsContact C-CE1 3.48Å; D571-Y593 HydrophobicContact CB-CE1 3.83Å; D571-Y593 HydrophobicContact CB-CE2 4.3Å; D571-Y593 WeakPolarHBondContact CB-OH 3.13Å; D571-Y593 PolarHBondContact N-O 3.49Å; D571-Y593 WeakPolarHBondContact O-CD1 3.36Å; D571-Y593 WeakPolarHBondContact O-CE1 3.29Å; D571-Y593 PolarHBondContact O-N 3.05Å; D571-Y593 PolarHBondContact OD2-OH 3.37Å |
| 572 | D | 94.6 | Very high | 80.4 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 149.1 | 175.4 | 65.5 | -92.3 | 0 | 0 | 0 | 114.7 | K455 L591 V592 | K455-D572 WeakPolarHBondContact CE-OD2 3.14Å; K455-D572 IonicContact NZ-OD1 2.61Å; K455-D572 PolarHBondContact NZ-OD1 3.27Å; K455-D572 IonicContact NZ-OD2 2.92Å; K455-D572 PolarHBondContact NZ-OD2 2.87Å; D572-L591 VanDerWaalsContact CA-O 3.25Å; D572-L591 WeakPolarHBondContact CA-O 3.47Å; D572-L591 WeakPolarHBondContact CB-O 3.37Å; D572-V592 HydrophobicContact CB-CB 4.32Å; D572-V592 HydrophobicContact CB-CG2 4Å |
| 573 | V | 95.3 | Very high | 80.2 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 15% | 0.152 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146 | -176.7 | -75.9 | 0 | 0 | 0 | 0 | 111.9 | A543 I545 Q590 L591 Y593 | A543-V573 HydrophobicContact CB-CG2 4.05Å; I545-V573 HydrophobicContact CG1-CG2 3.79Å; V573-Q590 WeakPolarHBondContact O-CA 3.43Å; V573-L591 HydrophobicContact CG2-CB 4.26Å; V573-L591 HydrophobicContact CG2-CD2 4.34Å; V573-L591 PolarHBondContact N-O 3.23Å; V573-L591 PolarHBondContact O-N 3.45Å; V573-Y593 HydrophobicContact CG1-CE1 3.94Å; V573-Y593 HydrophobicContact CG2-CD1 4.16Å; V573-Y593 HydrophobicContact CG2-CE1 4.08Å |
| 574 | D | 95 | Very high | 79.9 | Confident | 74 Ų | 74 | 77 Ų | 77 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 139.4 | 177.6 | -68 | -29.3 | 0 | 0 | 0 | 112 | V587 Q590 | D574-V587 HydrophobicContact CB-CG1 4.04Å; D574-V587 HydrophobicContact CB-CG2 4.21Å; D574-Q590 VanDerWaalsContact OD1-CG 3.29Å; D574-Q590 WeakPolarHBondContact OD1-CG 3.24Å; D574-Q590 PolarHBondContact OD1-NE2 2.81Å |
| 575 | M | 93.3 | Very high | 79.6 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.7 | 171.8 | -60.5 | 165.3 | 55.2 | 0 | 0 | 108.9 | V454 I457 L466 F526 Y542 A543 V587 I588 G589 L591 | V454-M575 HydrophobicContact CB-SD 4.31Å; V454-M575 HydrophobicContact CG1-SD 3.85Å; I457-M575 HydrophobicContact CD1-CE 4.19Å; I457-M575 HydrophobicContact CD1-SD 4.44Å; I457-M575 HydrophobicContact CG1-CE 4.35Å; I457-M575 HydrophobicContact CG1-SD 4.39Å; L466-M575 HydrophobicContact CD1-CE 4.44Å; F526-M575 HydrophobicContact CB-CE 4.49Å; F526-M575 HydrophobicContact CD1-CE 3.91Å; F526-M575 HydrophobicContact CD2-CE 3.76Å; F526-M575 HydrophobicContact CD2-CG 4.43Å; F526-M575 HydrophobicContact CE1-CE 3.94Å; F526-M575 HydrophobicContact CE1-SD 4.35Å; F526-M575 HydrophobicContact CE2-CB 4.42Å; F526-M575 HydrophobicContact CE2-CE 3.82Å; F526-M575 HydrophobicContact CE2-CG 3.72Å; F526-M575 HydrophobicContact CE2-SD 4.2Å; F526-M575 HydrophobicContact CG-CE 3.79Å; F526-M575 HydrophobicContact CZ-CE 3.88Å; F526-M575 HydrophobicContact CZ-CG 3.93Å; F526-M575 HydrophobicContact CZ-SD 3.97Å; Y542-M575 CarbonylContact O-C 3.52Å; A543-M575 HydrophobicContact CB-CG 4.36Å; M575-V587 CarbonylContact O-C 3.47Å; M575-V587 WeakPolarHBondContact O-CA 3.28Å; M575-I588 HydrophobicContact CB-CD1 4.3Å; M575-I588 HydrophobicContact CB-CG1 3.84Å; M575-I588 HydrophobicContact CE-CD1 4.3Å; M575-I588 VanDerWaalsContact O-CG1 3.26Å; M575-I588 WeakPolarHBondContact O-CG1 3.29Å; M575-I588 PolarHBondContact O-N 2.88Å; M575-G589 WeakPolarHBondContact CB-O 3.49Å; M575-G589 PolarHBondContact N-O 3.46Å; M575-L591 HydrophobicContact CG-CB 4.21Å |
| 576 | L | 92 | Very high | 79.5 | Confident | 36 Ų | 36 | 83 Ų | 83 | 19% | 0.188 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.3 | -174.5 | -53.9 | 178.7 | 0 | 0 | 0 | 111.1 | G541 Y542 L585 K586 V587 | G541-L576 CarbonylContact C-O 3.59Å; G541-L576 WeakPolarHBondContact CA-O 3.44Å; Y542-L576 HydrophobicContact CE1-CB 4.46Å; Y542-L576 HydrophobicContact CE2-CD1 4.35Å; Y542-L576 PolarHBondContact N-O 2.85Å; Y542-L576 PolarHBondContact O-N 3.41Å; L576-L585 HydrophobicContact CB-CD2 4.34Å; L576-L585 HydrophobicContact CD1-CD1 4.31Å; L576-K586 CarbonylContact C-O 3.55Å; L576-K586 WeakPolarHBondContact CA-O 3.37Å; L576-V587 HydrophobicContact CD2-CG2 3.88Å |
| 577 | A | 86.1 | Confident | 79.5 | Confident | 14 Ų | 14 | 85.6 Ų | 85.6 | 12% | 0.116 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 146.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K586 I588 | A577-K586 PolarHBondContact N-O 3.01Å; A577-K586 PolarHBondContact O-N 2.84Å; A577-K586 VanDerWaalsContact O-N 3.15Å; A577-I588 HydrophobicContact CB-CD1 4.22Å; A577-I588 HydrophobicContact CB-CG1 4.34Å; A577-I588 HydrophobicContact CB-CG2 3.51Å |
| 578 | E | 68.5 | Low | 79.3 | Confident | 150 Ų | 150 | 82.4 Ų | 82.4 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | trans | -99.6 | 125.1 | -179.3 | -174.7 | 167.8 | -158.4 | 0 | 0 | 109.5 | ||||
| 579 | Q | 59 | Low | 79.2 | Confident | 99 Ų | 99 | 76.9 Ų | 76.9 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | trans | -100.7 | 124.1 | -179.7 | -69.1 | -168.6 | 48 | 0 | 0 | 111.3 | N581 I582 | Q579-N581 PolarHBondContact O-N 2.98Å; Q579-I582 PolarHBondContact O-N 2.9Å; Q579-I582 VanDerWaalsContact O-O 3.09Å | ||
| 580 | S | 50.4 | Low | 79.2 | Confident | 118 Ų | 118 | 77.3 Ų | 77.3 | 83% | 0.825 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 8.9 | -171 | 54.1 | 0 | 0 | 0 | 0 | 116.8 | ||
| 581 | N | 49.4 | Very low | 79.3 | Confident | 154 Ų | 154 | 72.6 Ų | 72.6 | 82% | 0.824 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.5 | -10.4 | -179.2 | -76.9 | -81.8 | 0 | 0 | 0 | 115 | Q579 | Q579-N581 PolarHBondContact O-N 2.98Š|
| 582 | I | 51.5 | Low | 79.4 | Confident | 98 Ų | 98 | 70.5 Ų | 70.5 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -147.9 | 134.7 | 177.9 | -50.3 | 179 | 0 | 0 | 0 | 107.7 | Q579 E584 | Q579-I582 PolarHBondContact O-N 2.9Å; Q579-I582 VanDerWaalsContact O-O 3.09Å; I582-E584 HydrophobicContact CG2-CB 4.27Å; I582-E584 HydrophobicContact CG2-CG 3.9Å; I582-E584 PolarHBondContact O-N 2.88Å |
| 583 | N | 54.7 | Low | 79.5 | Confident | 174 Ų | 174 | 67.7 Ų | 67.7 | 93% | 0.93 | 36% | 0.357 | S | S | * | . | trans | -71.3 | 33.9 | 179 | -71.2 | 3 | 0 | 0 | 0 | 114.1 | ||||
| 584 | E | 64.5 | Low | 79.5 | Confident | 135 Ų | 135 | 66.9 Ų | 66.9 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | trans | -96.3 | 113 | 176 | -76.1 | -176.3 | 175.4 | 0 | 0 | 110.7 | I582 K586 | I582-E584 HydrophobicContact CG2-CB 4.27Å; I582-E584 HydrophobicContact CG2-CG 3.9Å; I582-E584 PolarHBondContact O-N 2.88Å; E584-K586 PolarHBondContact O-N 2.93Å | ||
| 585 | L | 72.9 | Confident | 79.6 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 52% | 0.518 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -73 | 117.7 | 174.1 | -70.9 | 162.9 | 0 | 0 | 0 | 109.8 | Y542 L576 | Y542-L585 HydrophobicContact CE1-CD2 4.5Å; L576-L585 HydrophobicContact CB-CD2 4.34Å; L576-L585 HydrophobicContact CD1-CD1 4.31Å |
| 586 | K | 84.8 | Confident | 79.6 | Confident | 100 Ų | 100 | 64.7 Ų | 64.7 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.7 | 179 | -178.1 | -178.2 | 175 | -172.4 | 0 | 110.6 | L576 A577 E584 I588 | L576-K586 CarbonylContact C-O 3.55Å; L576-K586 WeakPolarHBondContact CA-O 3.37Å; A577-K586 PolarHBondContact N-O 3.01Å; A577-K586 PolarHBondContact O-N 2.84Å; A577-K586 VanDerWaalsContact O-N 3.15Å; E584-K586 PolarHBondContact O-N 2.93Å; K586-I588 PolarHBondContact O-N 2.89Å |
| 587 | V | 89.4 | Confident | 79.7 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 42% | 0.424 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 124 | 168 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | D574 M575 L576 | D574-V587 HydrophobicContact CB-CG1 4.04Å; D574-V587 HydrophobicContact CB-CG2 4.21Å; M575-V587 CarbonylContact O-C 3.47Å; M575-V587 WeakPolarHBondContact O-CA 3.28Å; L576-V587 HydrophobicContact CD2-CG2 3.88Å |
| 588 | I | 89.7 | Confident | 80 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -10.8 | -178.4 | 51.9 | 158.8 | 0 | 0 | 0 | 113.9 | I457 Q458 F460 I540 M575 A577 K586 | I457-I588 CarbonylContact C-O 3.54Å; I457-I588 VanDerWaalsContact CA-O 3.24Å; I457-I588 WeakPolarHBondContact CA-O 3.42Å; Q458-I588 PolarHBondContact N-O 2.84Å; F460-I588 HydrophobicContact CE2-CB 4.43Å; F460-I588 HydrophobicContact CE2-CG2 4.49Å; F460-I588 HydrophobicContact CZ-CG2 4.48Å; I540-I588 HydrophobicContact CG2-CD1 3.73Å; M575-I588 HydrophobicContact CB-CD1 4.3Å; M575-I588 HydrophobicContact CB-CG1 3.84Å; M575-I588 HydrophobicContact CE-CD1 4.3Å; M575-I588 VanDerWaalsContact O-CG1 3.26Å; M575-I588 WeakPolarHBondContact O-CG1 3.29Å; M575-I588 PolarHBondContact O-N 2.88Å; A577-I588 HydrophobicContact CB-CD1 4.22Å; A577-I588 HydrophobicContact CB-CG1 4.34Å; A577-I588 HydrophobicContact CB-CG2 3.51Å; K586-I588 PolarHBondContact O-N 2.89Å |
| 589 | G | 91.4 | Very high | 81.1 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | -171.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M575 | M575-G589 WeakPolarHBondContact CB-O 3.49Å; M575-G589 PolarHBondContact N-O 3.46Å |
| 590 | Q | 93.6 | Very high | 82.4 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.1 | 178.2 | -67.9 | -178.9 | -47.5 | 0 | 0 | 111.4 | V454 K455 N456 V573 D574 | V454-Q590 CarbonylContact C-O 3.44Å; V454-Q590 VanDerWaalsContact CA-O 3.28Å; V454-Q590 WeakPolarHBondContact CA-O 3.47Å; K455-Q590 HydrophobicContact CD-CB 4.41Å; K455-Q590 HydrophobicContact CG-CB 3.77Å; K455-Q590 PolarHBondContact N-O 2.89Å; K455-Q590 PolarHBondContact O-N 3.06Å; N456-Q590 PolarHBondContact ND2-OE1 3.31Å; V573-Q590 WeakPolarHBondContact O-CA 3.43Å; D574-Q590 VanDerWaalsContact OD1-CG 3.29Å; D574-Q590 WeakPolarHBondContact OD1-CG 3.24Å; D574-Q590 PolarHBondContact OD1-NE2 2.81Å |
| 591 | L | 95.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.3 | 179.4 | 171.7 | 67.9 | 0 | 0 | 0 | 110.1 | L451 V454 L497 V524 F526 A543 I545 D572 V573 M575 | L451-L591 HydrophobicContact CB-CD1 4.43Å; L451-L591 HydrophobicContact CD2-CD1 4.49Å; L451-L591 HydrophobicContact CD2-CD2 4.25Å; V454-L591 HydrophobicContact CG1-CD1 3.94Å; L497-L591 HydrophobicContact CD1-CD1 4.06Å; V524-L591 HydrophobicContact CB-CD2 4.09Å; V524-L591 HydrophobicContact CG1-CD2 4.11Å; V524-L591 HydrophobicContact CG2-CD2 4.13Å; F526-L591 HydrophobicContact CE1-CD1 4.43Å; F526-L591 HydrophobicContact CZ-CB 4.16Å; F526-L591 HydrophobicContact CZ-CD1 4.1Å; F526-L591 HydrophobicContact CZ-CD2 3.99Å; F526-L591 HydrophobicContact CZ-CG 4.3Å; A543-L591 HydrophobicContact CB-CB 4.4Å; A543-L591 HydrophobicContact CB-CD2 3.97Å; I545-L591 HydrophobicContact CD1-CD2 3.88Å; I545-L591 HydrophobicContact CG1-CD2 4.4Å; D572-L591 VanDerWaalsContact CA-O 3.25Å; D572-L591 WeakPolarHBondContact CA-O 3.47Å; D572-L591 WeakPolarHBondContact CB-O 3.37Å; V573-L591 HydrophobicContact CG2-CB 4.26Å; V573-L591 HydrophobicContact CG2-CD2 4.34Å; V573-L591 PolarHBondContact N-O 3.23Å; V573-L591 PolarHBondContact O-N 3.45Å; M575-L591 HydrophobicContact CG-CB 4.21Å |
| 592 | V | 96.4 | Very high | 85 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.5 | 174 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | R452 S453 K455 D572 | R452-V592 PolarHBondContact N-O 3.29Å; S453-V592 PolarHBondContact N-O 3.49Å; S453-V592 PolarHBondContact O-N 3.24Å; S453-V592 WeakPolarHBondContact OG-CB 3.41Å; K455-V592 HydrophobicContact CD-CG2 3.83Å; K455-V592 HydrophobicContact CG-CG2 4.42Å; D572-V592 HydrophobicContact CB-CB 4.32Å; D572-V592 HydrophobicContact CB-CG2 4Å |
| 593 | Y | 96.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 165.2 | -172.7 | 69.8 | -82.1 | 0 | 0 | 0 | 113.2 | E450 R452 I545 D571 V573 L595 | E450-Y593 CarbonylContact O-C 3.59Å; E450-Y593 VanDerWaalsContact O-CA 3.28Å; E450-Y593 WeakPolarHBondContact O-CA 3.4Å; R452-Y593 PolarHBondContact NH2-O 2.89Å; I545-Y593 HydrophobicContact CD1-CD1 4.17Å; I545-Y593 HydrophobicContact CD1-CD2 4.12Å; I545-Y593 HydrophobicContact CD1-CG 3.82Å; I545-Y593 HydrophobicContact CG1-CD1 4.15Å; I545-Y593 HydrophobicContact CG1-CD2 4.42Å; I545-Y593 HydrophobicContact CG1-CE1 4.33Å; I545-Y593 HydrophobicContact CG1-CG 4.21Å; I545-Y593 HydrophobicContact CG2-CD2 3.74Å; I545-Y593 HydrophobicContact CG2-CE1 4.41Å; I545-Y593 HydrophobicContact CG2-CE2 3.4Å; I545-Y593 VanDerWaalsContact CG2-CE2 3.4Å; I545-Y593 HydrophobicContact CG2-CG 4.36Å; D571-Y593 VanDerWaalsContact C-CE1 3.48Å; D571-Y593 HydrophobicContact CB-CE1 3.83Å; D571-Y593 HydrophobicContact CB-CE2 4.3Å; D571-Y593 WeakPolarHBondContact CB-OH 3.13Å; D571-Y593 PolarHBondContact N-O 3.49Å; D571-Y593 WeakPolarHBondContact O-CD1 3.36Å; D571-Y593 WeakPolarHBondContact O-CE1 3.29Å; D571-Y593 PolarHBondContact O-N 3.05Å; D571-Y593 PolarHBondContact OD2-OH 3.37Å; V573-Y593 HydrophobicContact CG1-CE1 3.94Å; V573-Y593 HydrophobicContact CG2-CD1 4.16Å; V573-Y593 HydrophobicContact CG2-CE1 4.08Å; Y593-L595 HydrophobicContact CD2-CD1 4.17Å; Y593-L595 HydrophobicContact CD2-CD2 3.87Å; Y593-L595 HydrophobicContact CD2-CG 3.7Å; Y593-L595 HydrophobicContact CE2-CD1 3.62Å; Y593-L595 HydrophobicContact CE2-CD2 4.19Å; Y593-L595 HydrophobicContact CE2-CG 3.65Å |
| 594 | S | 95.4 | Very high | 85.4 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.2 | 170.7 | -145.7 | 0 | 0 | 0 | 0 | 108.9 | E450 R452 I569 N570 | E450-S594 PolarHBondContact N-O 3.41Å; E450-S594 PolarHBondContact O-N 3.48Å; E450-S594 VanDerWaalsContact OE2-CB 3.23Å; E450-S594 WeakPolarHBondContact OE2-CB 3.17Å; R452-S594 PolarHBondContact NH1-OG 2.91Å; R452-S594 PolarHBondContact NH2-OG 3.26Å; I569-S594 WeakPolarHBondContact O-CA 3.24Å; N570-S594 PolarHBondContact OD1-OG 3.48Å |
| 595 | L | 96 | Very high | 84.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.7 | 165 | -46.4 | 170.2 | 0 | 0 | 0 | 108.5 | Y447 T448 I449 I545 L547 V550 R568 I569 Y593 | Y447-L595 HydrophobicContact CE1-CB 4.05Å; Y447-L595 HydrophobicContact CE1-CD2 4.09Å; Y447-L595 WeakPolarHBondContact OH-CD1 3.37Å; T448-L595 WeakPolarHBondContact O-CA 3.38Å; I449-L595 HydrophobicContact CB-CD2 4.45Å; I449-L595 HydrophobicContact CG1-CD2 3.97Å; I449-L595 HydrophobicContact CG2-CD2 4.33Å; I545-L595 HydrophobicContact CG2-CD1 3.96Å; I545-L595 HydrophobicContact CG2-CD2 4.14Å; L547-L595 HydrophobicContact CD2-CD1 3.89Å; L547-L595 HydrophobicContact CD2-CD2 3.53Å; L547-L595 HydrophobicContact CD2-CG 4.35Å; V550-L595 HydrophobicContact CB-CB 4.4Å; V550-L595 HydrophobicContact CG2-CB 4.41Å; R568-L595 CarbonylContact C-O 3.53Å; R568-L595 VanDerWaalsContact CA-O 3.28Å; R568-L595 WeakPolarHBondContact CA-O 3.48Å; I569-L595 HydrophobicContact CG2-CB 3.69Å; I569-L595 HydrophobicContact CG2-CD1 3.95Å; I569-L595 HydrophobicContact CG2-CG 4.08Å; I569-L595 PolarHBondContact N-O 3.36Å; I569-L595 PolarHBondContact O-N 2.81Å; Y593-L595 HydrophobicContact CD2-CD1 4.17Å; Y593-L595 HydrophobicContact CD2-CD2 3.87Å; Y593-L595 HydrophobicContact CD2-CG 3.7Å; Y593-L595 HydrophobicContact CE2-CD1 3.62Å; Y593-L595 HydrophobicContact CE2-CD2 4.19Å; Y593-L595 HydrophobicContact CE2-CG 3.65Å |
| 596 | Q | 94.3 | Very high | 82.8 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.5 | 174 | 168.2 | 168.3 | -40.8 | 0 | 0 | 109.7 | T448 V566 R567 R568 E598 | T448-Q596 PolarHBondContact N-O 3.48Å; T448-Q596 PolarHBondContact O-N 3.46Å; V566-Q596 HydrophobicContact CG1-CG 3.94Å; R567-Q596 WeakPolarHBondContact O-CA 3.49Å; R568-Q596 HydrophobicContact CG-CB 4.36Å; Q596-E598 HydrophobicContact CG-CG 4.21Å; Q596-E598 PolarHBondContact NE2-OE1 3.12Å |
| 597 | L | 94 | Very high | 80.5 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 115.4 | 177.2 | -179.9 | 62 | 0 | 0 | 0 | 108.8 | Y445 Y447 V550 F551 V566 R567 | Y445-L597 HydrophobicContact CD1-CD1 3.54Å; Y445-L597 HydrophobicContact CD1-CD2 4.49Å; Y445-L597 HydrophobicContact CD1-CG 4.15Å; Y445-L597 HydrophobicContact CE1-CD1 4.3Å; Y445-L597 HydrophobicContact CE1-CD2 4.48Å; Y445-L597 HydrophobicContact CG-CD1 4.21Å; Y447-L597 HydrophobicContact CD2-CD1 3.78Å; Y447-L597 HydrophobicContact CE2-CD1 4.43Å; Y447-L597 HydrophobicContact CG-CD1 4.42Å; V550-L597 HydrophobicContact CG1-CB 3.9Å; V550-L597 HydrophobicContact CG1-CD2 3.96Å; V550-L597 HydrophobicContact CG2-CB 3.77Å; F551-L597 HydrophobicContact CD1-CD2 4.36Å; F551-L597 HydrophobicContact CD2-CD2 4.35Å; F551-L597 HydrophobicContact CE1-CD2 3.85Å; F551-L597 HydrophobicContact CE2-CD2 3.84Å; F551-L597 HydrophobicContact CZ-CD2 3.57Å; V566-L597 WeakPolarHBondContact CA-O 3.23Å; R567-L597 HydrophobicContact CB-CB 4.49Å; R567-L597 PolarHBondContact N-O 3.05Å; R567-L597 PolarHBondContact O-N 3.04Å |
| 598 | E | 92.6 | Very high | 77.7 | Confident | 49 Ų | 49 | 43 Ų | 43 | 23% | 0.229 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.5 | 170.5 | -48.3 | -163.2 | 162.1 | 0 | 0 | 108.8 | Y445 C446 V566 Q596 F600 | Y445-E598 CarbonylContact C-O 3.55Å; Y445-E598 VanDerWaalsContact CA-O 3.27Å; Y445-E598 WeakPolarHBondContact CA-O 3.49Å; C446-E598 HydrophobicContact CB-CB 4.21Å; C446-E598 PolarHBondContact N-O 3.05Å; C446-E598 PolarHBondContact O-N 2.66Å; V566-E598 HydrophobicContact CG1-CG 4.24Å; V566-E598 HydrophobicContact CG2-CB 4.45Å; V566-E598 HydrophobicContact CG2-CG 4.08Å; Q596-E598 HydrophobicContact CG-CG 4.21Å; Q596-E598 PolarHBondContact NE2-OE1 3.12Å; E598-F600 HydrophobicContact CB-CE2 3.76Å; E598-F600 HydrophobicContact CB-CZ 3.92Å; E598-F600 WeakPolarHBondContact OE2-CZ 3.38Å |
| 599 | D | 91.1 | Very high | 75 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 10% | 0.096 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 113.8 | 175.4 | -175 | -38.2 | 0 | 0 | 0 | 108.4 | R443 Y445 T564 L565 G601 | R443-D599 VanDerWaalsContact CZ-CG 3.42Å; R443-D599 IonicContact CZ-OD1 3.7Å; R443-D599 IonicContact CZ-OD2 2.6Å; R443-D599 VanDerWaalsContact NE-CG 3.32Å; R443-D599 IonicContact NE-OD1 3.47Å; R443-D599 PolarHBondContact NE-OD1 3.01Å; R443-D599 IonicContact NE-OD2 2.7Å; R443-D599 PolarHBondContact NE-OD2 2.8Å; R443-D599 IonicContact NH1-OD2 2.7Å; R443-D599 IonicContact NH2-OD1 3.49Å; R443-D599 PolarHBondContact NH2-OD1 3.19Å; R443-D599 IonicContact NH2-OD2 2.68Å; R443-D599 PolarHBondContact NH2-OD2 2.98Å; R443-D599 VanDerWaalsContact NH2-OD2 3.08Å; Y445-D599 HydrophobicContact CD1-CB 3.93Å; Y445-D599 HydrophobicContact CE1-CB 3.52Å; Y445-D599 WeakPolarHBondContact CE1-OD2 3.37Å; Y445-D599 VanDerWaalsContact CZ-OD2 3.31Å; Y445-D599 PolarHBondContact OH-OD2 3.39Å; T564-D599 CarbonylContact C-O 3.59Å; T564-D599 VanDerWaalsContact CA-O 3.25Å; T564-D599 WeakPolarHBondContact CA-O 3.4Å; L565-D599 HydrophobicContact CB-CB 4.38Å; L565-D599 PolarHBondContact N-O 3.11Å; L565-D599 PolarHBondContact O-N 3.36Å; D599-G601 VanDerWaalsContact C-N 3.34Å; D599-G601 PolarHBondContact OD1-N 3.48Å |
| 600 | F | 85.5 | Confident | 72.3 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 25% | 0.25 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 8.7 | -176.5 | -63.1 | -89.7 | 0 | 0 | 0 | 113.6 | R444 C446 T564 E598 | R444-F600 HydrophobicContact CB-CB 4.18Å; R444-F600 HydrophobicContact CG-CB 4.36Å; R444-F600 HydrophobicContact CG-CD2 4.03Å; R444-F600 HydrophobicContact CG-CG 4.47Å; R444-F600 PolarHBondContact O-N 3.39Å; C446-F600 HydrophobicContact CB-CE2 3.7Å; C446-F600 HydrophobicContact CB-CZ 4.28Å; T564-F600 HydrophobicContact CG2-CD1 3.85Å; T564-F600 HydrophobicContact CG2-CE1 3.95Å; T564-F600 HydrophobicContact CG2-CG 4.37Å; E598-F600 HydrophobicContact CB-CE2 3.76Å; E598-F600 HydrophobicContact CB-CZ 3.92Å; E598-F600 WeakPolarHBondContact OE2-CZ 3.38Å |
| 601 | G | 81.5 | Confident | 69.4 | Low | 8 Ų | 8 | 53 Ų | 53 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.2 | -167.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R443 R444 D599 | R443-G601 WeakPolarHBondContact CA-O 3.48Å; R443-G601 VanDerWaalsContact CB-O 3.26Å; R443-G601 WeakPolarHBondContact CB-O 3.21Å; R444-G601 PolarHBondContact N-O 3.21Å; R444-G601 VanDerWaalsContact N-O 3.09Å; D599-G601 VanDerWaalsContact C-N 3.34Å; D599-G601 PolarHBondContact OD1-N 3.48Å |
| 602 | T | 73.7 | Confident | 66.5 | Low | 92 Ų | 92 | 60.8 Ų | 60.8 | 56% | 0.564 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 132.6 | -172.4 | 45.6 | 0 | 0 | 0 | 0 | 113 | W442 R443 T604 | W442-T602 WeakPolarHBondContact O-CA 3.47Å; R443-T602 HydrophobicContact CG-CG2 4.32Å; T602-T604 PolarHBondContact O-N 3.13Å |
| 603 | H | 59.7 | Low | 63.3 | Low | 94 Ų | 94 | 66.1 Ų | 66.1 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | trans | -85.7 | 83.6 | -178.8 | -172.5 | -59.8 | 0 | 0 | 0 | 111.4 | W442 V605 | W442-H603 HydrophobicContact CB-CB 4.47Å; W442-H603 PolarHBondContact O-N 2.94Å; H603-V605 PolarHBondContact O-N 3.02Å | ||
| 604 | T | 55.4 | Low | 60.4 | Low | 104 Ų | 104 | 73.3 Ų | 73.3 | 64% | 0.638 | 41% | 0.414 | S | S | * | . | trans | -65.1 | 118 | 172.1 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | T602 D606 | T602-T604 PolarHBondContact O-N 3.13Å; T604-D606 WeakPolarHBondContact CB-OD2 3.45Å; T604-D606 PolarHBondContact O-N 3.26Å | ||
| 605 | V | 44.4 | Very low | 57.3 | Low | 115 Ų | 115 | 78.8 Ų | 78.8 | 70% | 0.697 | 45% | 0.448 | S | S | * | . | trans | -94.8 | 43.3 | 178.6 | -164.3 | 0 | 0 | 0 | 0 | 109.9 | H603 S607 | H603-V605 PolarHBondContact O-N 3.02Å; V605-S607 PolarHBondContact O-N 2.91Å | ||
| 606 | D | 37.9 | Very low | 54.5 | Low | 125 Ų | 125 | 88 Ų | 88 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | trans | -102 | 96.4 | -166.4 | -64.2 | -65.7 | 0 | 0 | 0 | 111.5 | T604 | T604-D606 WeakPolarHBondContact CB-OD2 3.45Å; T604-D606 PolarHBondContact O-N 3.26Å | ||
| 607 | S | 36.8 | Very low | 51.5 | Low | 99 Ų | 99 | 90 Ų | 90 | 69% | 0.692 | 52% | 0.516 | S | S | * | . | 3.2 | 132.5 | 125.2 | -47.6 | 0 | 0 | 0 | 0 | 115.5 | V605 | V605-S607 PolarHBondContact O-N 2.91Š| |||
| 608 | N | 29.6 | Very low | 48.8 | Very low | 25 Ų | 25 | 97.6 Ų | 97.6 | 13% | 0.134 | 56% | 0.556 | C | S | . | * | trans | -76.1 | -177.8 | -164.4 | -59.3 | -100 | 0 | 0 | 0 | 113.3 | D679 R682 E683 | N608-D679 PolarHBondContact OD1-O 2.84Å; N608-D679 PolarHBondContact OD1-OD1 3.48Å; N608-R682 WeakPolarHBondContact OD1-CB 3.13Å; N608-E683 HydrophobicContact CB-CB 3.88Å; N608-E683 HydrophobicContact CB-CG 4.31Å; N608-E683 WeakPolarHBondContact CB-OE2 3.28Å; N608-E683 PolarHBondContact N-OE2 2.92Å; N608-E683 VanDerWaalsContact ND2-CA 3.33Å; N608-E683 WeakPolarHBondContact ND2-CA 3.49Å; N608-E683 PolarHBondContact ND2-N 2.84Å; N608-E683 PolarHBondContact ND2-OE2 2.82Å | ||
| 609 | T | 33.8 | Very low | 45.9 | Very low | 101 Ų | 101 | 101 Ų | 101 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | trans | 102.3 | 111.3 | 167.9 | -26.8 | 0 | 0 | 0 | 0 | 118 | D679 | T609-D679 PolarHBondContact N-OD2 2.7Š| ||
| 610 | S | 34.1 | Very low | 43.3 | Very low | 77 Ų | 77 | 108.8 Ų | 108.8 | 54% | 0.538 | 62% | 0.615 | S | S | . | * | trans | 64.5 | 99.2 | 144.9 | 65 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 611 | T | 32.7 | Very low | 40.9 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 53% | 0.528 | 64% | 0.644 | S | S | . | * | 33.7 | 123.7 | 114.9 | 59.9 | 0 | 0 | 0 | 0 | 121.4 | W675 | T611-W675 HydrophobicContact CG2-CZ3 4.39Š| |||
| 612 | L | 35.3 | Very low | 38.9 | Very low | 163 Ų | 163 | 121.9 Ų | 121.9 | 85% | 0.853 | 68% | 0.679 | S | S | * | * | -179.5 | 164.6 | 107 | -101.6 | 161.9 | 0 | 0 | 0 | 114.7 | |||||
| 613 | D | 29.5 | Very low | 37.1 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | trans | -75.5 | 160.8 | -173.8 | -67.2 | -78.7 | 0 | 0 | 0 | 116.7 | ||||
| 614 | M | 34.6 | Very low | 35.9 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 74% | 0.739 | 70% | 0.704 | S | S | * | * | trans | -151.9 | 110.9 | 145.9 | -106.2 | -94 | 61.8 | 0 | 0 | 111.8 | K616 | M614-K616 HydrophobicContact CE-CD 4.41Å; M614-K616 HydrophobicContact CE-CG 4.12Å | ||
| 615 | T | 31 | Very low | 35 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | trans | -114.6 | 110.4 | 174.4 | 37.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 616 | K | 38 | Very low | 34.8 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | trans | -152.8 | 139.1 | 160.4 | -62.1 | -177.6 | -178.1 | 170.4 | 0 | 107 | M614 | M614-K616 HydrophobicContact CE-CD 4.41Å; M614-K616 HydrophobicContact CE-CG 4.12Å | ||
| 617 | G | 31 | Very low | 34.8 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | cis | 130.4 | 116 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 618 | L | 37.1 | Very low | 34.8 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | trans | -159.7 | 151.2 | 166.2 | -138.7 | 75.7 | 0 | 0 | 0 | 111.5 | ||||
| 619 | V | 32.1 | Very low | 35.3 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -137.4 | 152.3 | -177.4 | 173.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 620 | H | 36.3 | Very low | 35.8 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -142.7 | 153.5 | 164.7 | -96.9 | 55.2 | 0 | 0 | 0 | 111 | ||||
| 621 | Q | 34.4 | Very low | 36.5 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -130 | 154 | -173 | -63 | 172 | -86.8 | 0 | 0 | 113.2 | ||||
| 622 | I | 39.5 | Very low | 37.1 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -159.6 | 138.7 | 170.5 | -71.2 | -168.9 | 0 | 0 | 0 | 105.9 | ||||
| 623 | N | 35.5 | Very low | 38.1 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | cis | -158.6 | 165.6 | -13 | -131 | 89.1 | 0 | 0 | 0 | 110.5 | ||||
| 624 | D | 35.3 | Very low | 39.5 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -107.7 | 170.4 | 176.5 | -42.7 | -96.3 | 0 | 0 | 0 | 112.1 | ||||
| 625 | E | 36.6 | Very low | 40.9 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 60% | 0.603 | 75% | 0.746 | S | S | * | * | cis | -130.7 | -115.6 | 5 | -163.4 | -169.3 | 65.9 | 0 | 0 | 112.9 | K627 | E625-K627 WeakPolarHBondContact OE1-CG 3.49Å; E625-K627 IonicContact OE1-NZ 3.43Å; E625-K627 PolarHBondContact OE1-NZ 3.43Å; E625-K627 WeakPolarHBondContact OE2-CE 3.35Å; E625-K627 IonicContact OE2-NZ 2.67Å; E625-K627 PolarHBondContact OE2-NZ 3.25Å | ||
| 626 | I | 40.5 | Very low | 42.7 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | cis | -144.2 | 160.3 | 7.7 | -71 | 173 | 0 | 0 | 0 | 109.4 | ||||
| 627 | K | 36.2 | Very low | 44.8 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | trans | -99.6 | 159.5 | -168.1 | -52.5 | 168 | -174.4 | 83 | 0 | 117.3 | E625 | E625-K627 WeakPolarHBondContact OE1-CG 3.49Å; E625-K627 IonicContact OE1-NZ 3.43Å; E625-K627 PolarHBondContact OE1-NZ 3.43Å; E625-K627 WeakPolarHBondContact OE2-CE 3.35Å; E625-K627 IonicContact OE2-NZ 2.67Å; E625-K627 PolarHBondContact OE2-NZ 3.25Å | ||
| 628 | S | 38.8 | Very low | 47.1 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -159.2 | 153.9 | 134.9 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 629 | E | 38.5 | Very low | 49.1 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | trans | -117.1 | -170.6 | -179.6 | -45.7 | -170.3 | 139.2 | 0 | 0 | 110.5 | ||||
| 630 | P | 45 | Very low | 51.4 | Low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 67% | 0.674 | S | S | * | * | cis | -134.8 | 155.7 | -10 | 35.8 | -17.2 | 0 | 0 | 0 | 116.7 | ||||
| 631 | S | 49.4 | Very low | 53.7 | Low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 65% | 0.652 | S | S | * | * | trans | -166.4 | 124.9 | 153.2 | -77.2 | 0 | 0 | 0 | 0 | 108.7 | I633 | S631-I633 PolarHBondContact O-N 3.48Š| ||
| 632 | D | 43.9 | Very low | 56 | Low | 111 Ų | 111 | 121.9 Ų | 121.9 | 59% | 0.594 | 63% | 0.632 | S | S | * | * | trans | -83 | 77.3 | -169.8 | -171.6 | 19.5 | 0 | 0 | 0 | 114.6 | R634 S635 | D632-R634 PolarHBondContact O-N 2.97Å; D632-R634 VanDerWaalsContact OD1-CB 3.27Å; D632-R634 WeakPolarHBondContact OD1-CB 3.29Å; D632-R634 PolarHBondContact OD1-N 3.28Å; D632-S635 PolarHBondContact O-N 2.76Å; D632-S635 PolarHBondContact O-OG 3.3Å | ||
| 633 | I | 56.5 | Low | 58.1 | Low | 118 Ų | 118 | 116.6 Ų | 116.6 | 61% | 0.605 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -62.6 | -19.3 | 173.7 | -62.1 | 167.7 | 0 | 0 | 0 | 111.9 | S631 S635 T636 | S631-I633 PolarHBondContact O-N 3.48Å; I633-S635 PolarHBondContact O-N 3.08Å; I633-T636 PolarHBondContact O-N 3.48Å; I633-T636 PolarHBondContact O-OG1 3.41Å |
| 634 | R | 59.4 | Low | 60.5 | Low | 183 Ų | 183 | 116 Ų | 116 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -72 | -14.7 | -176.6 | -56.9 | -179.2 | 170.6 | 153.8 | -0.8 | 113.2 | D632 Y639 | D632-R634 PolarHBondContact O-N 2.97Å; D632-R634 VanDerWaalsContact OD1-CB 3.27Å; D632-R634 WeakPolarHBondContact OD1-CB 3.29Å; D632-R634 PolarHBondContact OD1-N 3.28Å; R634-Y639 VanDerWaalsContact CA-CD1 3.47Å; R634-Y639 HydrophobicContact CB-CD1 3.93Å; R634-Y639 HydrophobicContact CB-CE1 3.72Å; R634-Y639 HydrophobicContact CG-CD1 4.34Å; R634-Y639 HydrophobicContact CG-CE1 3.78Å; R634-Y639 WeakPolarHBondContact O-CD1 3.18Å |
| 635 | S | 63 | Low | 63 | Low | 82 Ų | 82 | 114.2 Ų | 114.2 | 57% | 0.573 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -78.6 | -21.2 | 175.6 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | D632 I633 | D632-S635 PolarHBondContact O-N 2.76Å; D632-S635 PolarHBondContact O-OG 3.3Å; I633-S635 PolarHBondContact O-N 3.08Å |
| 636 | T | 70.5 | Confident | 65.4 | Low | 63 Ų | 63 | 114.7 Ų | 114.7 | 39% | 0.387 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -72.2 | 146.5 | -175.5 | -4.5 | 0 | 0 | 0 | 0 | 113 | I633 E638 Y639 Q640 | I633-T636 PolarHBondContact O-N 3.48Å; I633-T636 PolarHBondContact O-OG1 3.41Å; T636-E638 VanDerWaalsContact C-N 3.27Å; T636-E638 WeakPolarHBondContact CB-OE2 3.41Å; T636-E638 WeakPolarHBondContact CG2-OE2 3.32Å; T636-E638 PolarHBondContact O-N 2.73Å; T636-Y639 WeakPolarHBondContact O-CB 3.34Å; T636-Y639 PolarHBondContact O-N 3.49Å; T636-Y639 VanDerWaalsContact O-N 3.08Å; T636-Q640 PolarHBondContact O-N 2.59Å |
| 637 | R | 80.6 | Confident | 67.7 | Low | 167 Ų | 167 | 112.7 Ų | 112.7 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.4 | -27.8 | -174.2 | -173.7 | 150.5 | -178.5 | 69.4 | 1.5 | 112.9 | Y639 Q640 V641 | R637-Y639 VanDerWaalsContact C-N 3.28Å; R637-Y639 PolarHBondContact O-N 2.82Å; R637-Q640 WeakPolarHBondContact O-CB 3.33Å; R637-Q640 PolarHBondContact O-N 3.25Å; R637-V641 PolarHBondContact O-N 3.21Å; R637-V641 VanDerWaalsContact O-N 3.11Å |
| 638 | E | 79.9 | Confident | 70.3 | Confident | 135 Ų | 135 | 113.4 Ų | 113.4 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.1 | -36 | 173 | -61.1 | 68.4 | -153.1 | 0 | 0 | 110.9 | T636 A642 | T636-E638 VanDerWaalsContact C-N 3.27Å; T636-E638 WeakPolarHBondContact CB-OE2 3.41Å; T636-E638 WeakPolarHBondContact CG2-OE2 3.32Å; T636-E638 PolarHBondContact O-N 2.73Å; E638-A642 WeakPolarHBondContact O-CB 3.43Å; E638-A642 PolarHBondContact O-N 3.01Å |
| 639 | Y | 78.9 | Confident | 72.8 | Confident | 96 Ų | 96 | 116.1 Ų | 116.1 | 38% | 0.376 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.8 | -39.6 | 175.2 | -175.9 | -101.6 | 0 | 0 | 0 | 111.6 | R634 T636 R637 V641 A642 V643 | R634-Y639 VanDerWaalsContact CA-CD1 3.47Å; R634-Y639 HydrophobicContact CB-CD1 3.93Å; R634-Y639 HydrophobicContact CB-CE1 3.72Å; R634-Y639 HydrophobicContact CG-CD1 4.34Å; R634-Y639 HydrophobicContact CG-CE1 3.78Å; R634-Y639 WeakPolarHBondContact O-CD1 3.18Å; T636-Y639 WeakPolarHBondContact O-CB 3.34Å; T636-Y639 PolarHBondContact O-N 3.49Å; T636-Y639 VanDerWaalsContact O-N 3.08Å; R637-Y639 VanDerWaalsContact C-N 3.28Å; R637-Y639 PolarHBondContact O-N 2.82Å; Y639-V641 PolarHBondContact O-N 3.23Å; Y639-A642 PolarHBondContact O-N 2.76Å; Y639-V643 HydrophobicContact CD1-CG2 4.2Å; Y639-V643 HydrophobicContact CE1-CG2 3.81Å; Y639-V643 HydrophobicContact CE2-CG2 4.22Å; Y639-V643 WeakPolarHBondContact O-CG2 3.4Å; Y639-V643 PolarHBondContact O-N 2.87Å |
| 640 | Q | 80.1 | Confident | 75.4 | Confident | 83 Ų | 83 | 110 Ų | 110 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.6 | -48.7 | 174.2 | -61.9 | 172.8 | -7.5 | 0 | 0 | 111 | T636 R637 A642 V643 E644 | T636-Q640 PolarHBondContact O-N 2.59Å; R637-Q640 WeakPolarHBondContact O-CB 3.33Å; R637-Q640 PolarHBondContact O-N 3.25Å; Q640-A642 PolarHBondContact O-N 3.34Å; Q640-V643 PolarHBondContact O-N 3.23Å; Q640-E644 WeakPolarHBondContact O-CG 3.15Å; Q640-E644 PolarHBondContact O-N 3.03Å |
| 641 | V | 84.4 | Confident | 77.6 | Confident | 64 Ų | 64 | 107 Ų | 107 | 39% | 0.388 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | R637 Y639 E644 L645 | R637-V641 PolarHBondContact O-N 3.21Å; R637-V641 VanDerWaalsContact O-N 3.11Å; Y639-V641 PolarHBondContact O-N 3.23Å; V641-E644 PolarHBondContact O-N 2.74Å; V641-L645 HydrophobicContact CG1-CD1 4.17Å; V641-L645 WeakPolarHBondContact O-CB 3.02Å; V641-L645 WeakPolarHBondContact O-CG 3.38Å; V641-L645 PolarHBondContact O-N 2.76Å |
| 642 | A | 83.4 | Confident | 79.6 | Confident | 52 Ų | 52 | 105.8 Ų | 105.8 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E638 Y639 Q640 L645 E646 | E638-A642 WeakPolarHBondContact O-CB 3.43Å; E638-A642 PolarHBondContact O-N 3.01Å; Y639-A642 PolarHBondContact O-N 2.76Å; Q640-A642 PolarHBondContact O-N 3.34Å; A642-L645 PolarHBondContact O-N 3.46Å; A642-E646 WeakPolarHBondContact O-CB 3.38Å; A642-E646 PolarHBondContact O-N 2.86Å |
| 643 | V | 83.1 | Confident | 81.9 | Confident | 48 Ų | 48 | 106.2 Ų | 106.2 | 29% | 0.291 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111.5 | Y639 Q640 L645 E646 L647 | Y639-V643 HydrophobicContact CD1-CG2 4.2Å; Y639-V643 HydrophobicContact CE1-CG2 3.81Å; Y639-V643 HydrophobicContact CE2-CG2 4.22Å; Y639-V643 WeakPolarHBondContact O-CG2 3.4Å; Y639-V643 PolarHBondContact O-N 2.87Å; Q640-V643 PolarHBondContact O-N 3.23Å; V643-L645 VanDerWaalsContact C-N 3.35Å; V643-L645 PolarHBondContact O-N 3.01Å; V643-E646 PolarHBondContact O-N 2.64Å; V643-L647 HydrophobicContact CG1-CD1 3.87Å; V643-L647 HydrophobicContact CG1-CG 4.33Å; V643-L647 WeakPolarHBondContact O-CB 3.37Å; V643-L647 VanDerWaalsContact O-CG 3.24Å; V643-L647 WeakPolarHBondContact O-CG 3.33Å; V643-L647 PolarHBondContact O-N 2.62Å |
| 644 | E | 85.9 | Confident | 83.7 | Confident | 126 Ų | 126 | 103.1 Ų | 103.1 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -41.3 | 173.8 | -75.6 | 176.2 | -172.7 | 0 | 0 | 112.2 | Q640 V641 W648 | Q640-E644 WeakPolarHBondContact O-CG 3.15Å; Q640-E644 PolarHBondContact O-N 3.03Å; V641-E644 PolarHBondContact O-N 2.74Å; E644-W648 WeakPolarHBondContact O-CB 3.41Å; E644-W648 PolarHBondContact O-N 2.88Å |
| 645 | L | 88.4 | Confident | 85.3 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.3 | -36.2 | 176.2 | -74.7 | 171.3 | 0 | 0 | 0 | 113.1 | V641 A642 V643 W648 R649 | V641-L645 HydrophobicContact CG1-CD1 4.17Å; V641-L645 WeakPolarHBondContact O-CB 3.02Å; V641-L645 WeakPolarHBondContact O-CG 3.38Å; V641-L645 PolarHBondContact O-N 2.76Å; A642-L645 PolarHBondContact O-N 3.46Å; V643-L645 VanDerWaalsContact C-N 3.35Å; V643-L645 PolarHBondContact O-N 3.01Å; L645-W648 PolarHBondContact O-N 3.27Å; L645-R649 WeakPolarHBondContact O-CB 3.3Å; L645-R649 PolarHBondContact O-N 3.33Å |
| 646 | E | 86.6 | Confident | 86.6 | Confident | 139 Ų | 139 | 102.5 Ų | 102.5 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67 | -44.7 | 175.2 | -173.7 | 167.6 | -150.9 | 0 | 0 | 111.2 | A642 V643 W648 R649 A650 | A642-E646 WeakPolarHBondContact O-CB 3.38Å; A642-E646 PolarHBondContact O-N 2.86Å; V643-E646 PolarHBondContact O-N 2.64Å; E646-W648 VanDerWaalsContact C-N 3.35Å; E646-W648 PolarHBondContact O-N 2.92Å; E646-R649 PolarHBondContact O-N 2.73Å; E646-A650 WeakPolarHBondContact O-CB 3.16Å; E646-A650 PolarHBondContact O-N 2.89Å |
| 647 | L | 89.2 | Confident | 87.8 | Confident | 116 Ų | 116 | 102.1 Ų | 102.1 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 172.7 | -71.7 | 169.7 | 0 | 0 | 0 | 112.1 | V643 A650 A651 | V643-L647 HydrophobicContact CG1-CD1 3.87Å; V643-L647 HydrophobicContact CG1-CG 4.33Å; V643-L647 WeakPolarHBondContact O-CB 3.37Å; V643-L647 VanDerWaalsContact O-CG 3.24Å; V643-L647 WeakPolarHBondContact O-CG 3.33Å; V643-L647 PolarHBondContact O-N 2.62Å; L647-A650 PolarHBondContact O-N 3.49Å; L647-A651 WeakPolarHBondContact O-CB 3.26Å; L647-A651 PolarHBondContact O-N 3Å |
| 648 | W | 91 | Very high | 88.4 | Confident | 168 Ų | 168 | 96.9 Ų | 96.9 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 176 | -177.3 | 86.3 | 0 | 0 | 0 | 112.2 | E644 L645 E646 A651 E652 | E644-W648 WeakPolarHBondContact O-CB 3.41Å; E644-W648 PolarHBondContact O-N 2.88Å; L645-W648 PolarHBondContact O-N 3.27Å; E646-W648 VanDerWaalsContact C-N 3.35Å; E646-W648 PolarHBondContact O-N 2.92Å; W648-A651 PolarHBondContact O-N 3.4Å; W648-E652 PolarHBondContact O-N 3.19Å |
| 649 | R | 92.1 | Very high | 89.1 | Confident | 179 Ų | 179 | 96.1 Ų | 96.1 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.4 | -48.9 | 173.9 | 170.7 | 178.4 | -89.7 | 161.2 | -7.3 | 110.8 | L645 E646 A651 E652 E653 | L645-R649 WeakPolarHBondContact O-CB 3.3Å; L645-R649 PolarHBondContact O-N 3.33Å; E646-R649 PolarHBondContact O-N 2.73Å; R649-A651 VanDerWaalsContact C-N 3.29Å; R649-A651 PolarHBondContact O-N 2.98Å; R649-E652 PolarHBondContact O-N 3.42Å; R649-E653 WeakPolarHBondContact O-CB 3.41Å; R649-E653 PolarHBondContact O-N 3.15Å |
| 650 | A | 91.2 | Very high | 89.8 | Confident | 54 Ų | 54 | 95.5 Ų | 95.5 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E646 L647 A654 | E646-A650 WeakPolarHBondContact O-CB 3.16Å; E646-A650 PolarHBondContact O-N 2.89Å; L647-A650 PolarHBondContact O-N 3.49Å; A650-A654 VanDerWaalsContact O-CB 3.24Å; A650-A654 WeakPolarHBondContact O-CB 3.19Å; A650-A654 PolarHBondContact O-N 3.43Å |
| 651 | A | 92.7 | Very high | 90.6 | Very high | 47 Ų | 47 | 97.6 Ų | 97.6 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L647 W648 R649 K655 | L647-A651 WeakPolarHBondContact O-CB 3.26Å; L647-A651 PolarHBondContact O-N 3Å; W648-A651 PolarHBondContact O-N 3.4Å; R649-A651 VanDerWaalsContact C-N 3.29Å; R649-A651 PolarHBondContact O-N 2.98Å; A651-K655 WeakPolarHBondContact O-CG 3.28Å; A651-K655 PolarHBondContact O-N 3.48Å |
| 652 | E | 90.2 | Very high | 91.1 | Very high | 80 Ų | 80 | 101.5 Ų | 101.5 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.3 | -38 | 177 | -157.9 | 61 | -138.1 | 0 | 0 | 111.9 | W648 R649 A654 K655 F656 | W648-E652 PolarHBondContact O-N 3.19Å; R649-E652 PolarHBondContact O-N 3.42Å; E652-A654 VanDerWaalsContact C-N 3.32Å; E652-A654 PolarHBondContact O-N 3.23Å; E652-K655 WeakPolarHBondContact O-CB 3.4Å; E652-K655 PolarHBondContact O-N 3.44Å; E652-K655 VanDerWaalsContact O-N 3.16Å; E652-K655 IonicContact OE1-NZ 3.92Å; E652-K655 IonicContact OE2-NZ 3.94Å; E652-K655 PolarHBondContact OE2-NZ 2.87Å; E652-F656 PolarHBondContact O-N 2.87Å |
| 653 | E | 92.2 | Very high | 91.6 | Very high | 120 Ų | 120 | 107.5 Ų | 107.5 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 171.8 | -172 | 172.6 | 169.8 | 0 | 0 | 111.6 | R649 K655 F656 T657 | R649-E653 WeakPolarHBondContact O-CB 3.41Å; R649-E653 PolarHBondContact O-N 3.15Å; E653-K655 PolarHBondContact O-N 3.18Å; E653-F656 PolarHBondContact O-N 3.1Å; E653-T657 HydrophobicContact CG-CG2 4.44Å; E653-T657 WeakPolarHBondContact O-CB 3.4Å; E653-T657 WeakPolarHBondContact O-CG2 3.29Å; E653-T657 PolarHBondContact O-N 2.66Å; E653-T657 PolarHBondContact O-OG1 3.27Å |
| 654 | A | 94 | Very high | 92.1 | Very high | 54 Ų | 54 | 109.9 Ų | 109.9 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A650 E652 T657 A658 | A650-A654 VanDerWaalsContact O-CB 3.24Å; A650-A654 WeakPolarHBondContact O-CB 3.19Å; A650-A654 PolarHBondContact O-N 3.43Å; E652-A654 VanDerWaalsContact C-N 3.32Å; E652-A654 PolarHBondContact O-N 3.23Å; A654-T657 PolarHBondContact O-OG1 3.08Å; A654-A658 WeakPolarHBondContact O-CB 3.48Å; A654-A658 PolarHBondContact O-N 2.92Å |
| 655 | K | 93.7 | Very high | 92.5 | Very high | 120 Ų | 120 | 110.3 Ų | 110.3 | 52% | 0.522 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 173.7 | -68 | 170.1 | -156.7 | 164.2 | 0 | 111.6 | A651 E652 E653 A658 Q659 | A651-K655 WeakPolarHBondContact O-CG 3.28Å; A651-K655 PolarHBondContact O-N 3.48Å; E652-K655 WeakPolarHBondContact O-CB 3.4Å; E652-K655 PolarHBondContact O-N 3.44Å; E652-K655 VanDerWaalsContact O-N 3.16Å; E652-K655 IonicContact OE1-NZ 3.92Å; E652-K655 IonicContact OE2-NZ 3.94Å; E652-K655 PolarHBondContact OE2-NZ 2.87Å; E653-K655 PolarHBondContact O-N 3.18Å; K655-A658 PolarHBondContact O-N 3.35Å; K655-Q659 WeakPolarHBondContact O-CB 3.25Å; K655-Q659 PolarHBondContact O-N 2.88Å |
| 656 | F | 91.4 | Very high | 92.8 | Very high | 132 Ų | 132 | 109 Ų | 109 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.2 | -46.2 | -177.9 | -175 | -98.1 | 0 | 0 | 0 | 111.6 | E652 E653 A658 Q659 L660 | E652-F656 PolarHBondContact O-N 2.87Å; E653-F656 PolarHBondContact O-N 3.1Å; F656-A658 VanDerWaalsContact C-N 3.34Å; F656-A658 PolarHBondContact O-N 2.97Å; F656-Q659 PolarHBondContact O-N 3.42Å; F656-L660 WeakPolarHBondContact O-CB 3.21Å; F656-L660 PolarHBondContact O-N 2.97Å |
| 657 | T | 93.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 107 Ų | 107 | 34% | 0.337 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | E653 A654 K661 | E653-T657 HydrophobicContact CG-CG2 4.44Å; E653-T657 WeakPolarHBondContact O-CB 3.4Å; E653-T657 WeakPolarHBondContact O-CG2 3.29Å; E653-T657 PolarHBondContact O-N 2.66Å; E653-T657 PolarHBondContact O-OG1 3.27Å; A654-T657 PolarHBondContact O-OG1 3.08Å; T657-K661 WeakPolarHBondContact O-CB 3.47Å; T657-K661 VanDerWaalsContact O-CG 3.29Å; T657-K661 WeakPolarHBondContact O-CG 3.41Å; T657-K661 PolarHBondContact O-N 2.89Å |
| 658 | A | 94.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 106.7 Ų | 106.7 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A654 K655 F656 K662 | A654-A658 WeakPolarHBondContact O-CB 3.48Å; A654-A658 PolarHBondContact O-N 2.92Å; K655-A658 PolarHBondContact O-N 3.35Å; F656-A658 VanDerWaalsContact C-N 3.34Å; F656-A658 PolarHBondContact O-N 2.97Å; A658-K662 WeakPolarHBondContact O-CB 3.48Å; A658-K662 PolarHBondContact O-N 3.18Å |
| 659 | Q | 93.9 | Very high | 93.5 | Very high | 119 Ų | 119 | 101.6 Ų | 101.6 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.9 | -40.3 | 176.8 | -169.7 | -179.4 | 20.5 | 0 | 0 | 111.8 | K655 F656 K662 R663 | K655-Q659 WeakPolarHBondContact O-CB 3.25Å; K655-Q659 PolarHBondContact O-N 2.88Å; F656-Q659 PolarHBondContact O-N 3.42Å; Q659-K662 PolarHBondContact O-N 2.91Å; Q659-R663 PolarHBondContact O-N 3.24Å; Q659-R663 VanDerWaalsContact O-N 3.08Å |
| 660 | L | 94.6 | Very high | 93.6 | Very high | 82 Ų | 82 | 96.6 Ų | 96.6 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -53.5 | 175.6 | -174.1 | 64.4 | 0 | 0 | 0 | 110.6 | F656 K662 R663 E664 | F656-L660 WeakPolarHBondContact O-CB 3.21Å; F656-L660 PolarHBondContact O-N 2.97Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.07Å; L660-R663 WeakPolarHBondContact O-CA 3.49Å; L660-R663 WeakPolarHBondContact O-CB 3.48Å; L660-R663 PolarHBondContact O-N 3.24Å; L660-E664 WeakPolarHBondContact O-CG 3.47Å; L660-E664 PolarHBondContact O-N 3.01Å |
| 661 | K | 95.6 | Very high | 93.7 | Very high | 127 Ų | 127 | 98.6 Ų | 98.6 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -54.7 | -40.9 | 175.8 | -75.7 | 172.8 | 178.2 | 175 | 0 | 112.8 | T657 R663 E664 Q665 | T657-K661 WeakPolarHBondContact O-CB 3.47Å; T657-K661 VanDerWaalsContact O-CG 3.29Å; T657-K661 WeakPolarHBondContact O-CG 3.41Å; T657-K661 PolarHBondContact O-N 2.89Å; K661-R663 VanDerWaalsContact C-N 3.34Å; K661-R663 PolarHBondContact O-N 3.24Å; K661-E664 WeakPolarHBondContact CA-OE2 3.32Å; K661-E664 PolarHBondContact O-N 3.44Å; K661-Q665 WeakPolarHBondContact O-CB 3.47Å; K661-Q665 VanDerWaalsContact O-CG 3.23Å; K661-Q665 WeakPolarHBondContact O-CG 3.39Å; K661-Q665 PolarHBondContact O-N 3.03Å |
| 662 | K | 95.1 | Very high | 93.7 | Very high | 147 Ų | 147 | 98.5 Ų | 98.5 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -37.8 | 175.6 | -175.6 | 173.6 | -179.7 | 176.7 | 0 | 112.2 | A658 Q659 L660 T666 | A658-K662 WeakPolarHBondContact O-CB 3.48Å; A658-K662 PolarHBondContact O-N 3.18Å; Q659-K662 PolarHBondContact O-N 2.91Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.07Å; K662-T666 WeakPolarHBondContact O-CB 3.28Å; K662-T666 PolarHBondContact O-N 3.01Å; K662-T666 PolarHBondContact O-OG1 3.12Å |
| 663 | R | 94.5 | Very high | 93.9 | Very high | 178 Ų | 178 | 101.4 Ų | 101.4 | 67% | 0.672 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -44.9 | 176.1 | -120.2 | -176.4 | 178.6 | 118.3 | 0.8 | 111.5 | Q659 L660 K661 T666 L667 | Q659-R663 PolarHBondContact O-N 3.24Å; Q659-R663 VanDerWaalsContact O-N 3.08Å; L660-R663 WeakPolarHBondContact O-CA 3.49Å; L660-R663 WeakPolarHBondContact O-CB 3.48Å; L660-R663 PolarHBondContact O-N 3.24Å; K661-R663 VanDerWaalsContact C-N 3.34Å; K661-R663 PolarHBondContact O-N 3.24Å; R663-T666 PolarHBondContact O-N 2.81Å; R663-L667 PolarHBondContact O-N 3.02Å |
| 664 | E | 93.8 | Very high | 94 | Very high | 97 Ų | 97 | 99.1 Ų | 99.1 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 175.4 | -67.8 | 166.5 | 163.3 | 0 | 0 | 111.1 | L660 K661 T666 L667 M668 | L660-E664 WeakPolarHBondContact O-CG 3.47Å; L660-E664 PolarHBondContact O-N 3.01Å; K661-E664 WeakPolarHBondContact CA-OE2 3.32Å; K661-E664 PolarHBondContact O-N 3.44Å; E664-T666 VanDerWaalsContact C-N 3.3Å; E664-T666 PolarHBondContact O-N 3.06Å; E664-L667 PolarHBondContact O-N 3.46Å; E664-M668 WeakPolarHBondContact O-CG 3.43Å; E664-M668 PolarHBondContact O-N 2.97Å |
| 665 | Q | 94.7 | Very high | 94.1 | Very high | 136 Ų | 136 | 101.9 Ų | 101.9 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.2 | -41.1 | 175.2 | -75.8 | 172.2 | -15.5 | 0 | 0 | 112.7 | K661 M668 A669 | K661-Q665 WeakPolarHBondContact O-CB 3.47Å; K661-Q665 VanDerWaalsContact O-CG 3.23Å; K661-Q665 WeakPolarHBondContact O-CG 3.39Å; K661-Q665 PolarHBondContact O-N 3.03Å; Q665-M668 PolarHBondContact O-N 3.05Å; Q665-A669 WeakPolarHBondContact O-CB 3.49Å; Q665-A669 PolarHBondContact O-N 3.29Å |
| 666 | T | 94.2 | Very high | 94.2 | Very high | 82 Ų | 82 | 100.3 Ų | 100.3 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 178.4 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | K662 R663 E664 A669 T670 | K662-T666 WeakPolarHBondContact O-CB 3.28Å; K662-T666 PolarHBondContact O-N 3.01Å; K662-T666 PolarHBondContact O-OG1 3.12Å; R663-T666 PolarHBondContact O-N 2.81Å; E664-T666 VanDerWaalsContact C-N 3.3Å; E664-T666 PolarHBondContact O-N 3.06Å; T666-A669 PolarHBondContact O-N 3.09Å; T666-T670 PolarHBondContact O-N 3.04Å; T666-T670 PolarHBondContact O-OG1 3.4Å |
| 667 | L | 93.2 | Very high | 94.3 | Very high | 96 Ų | 96 | 99.3 Ų | 99.3 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 177.2 | -178.8 | 62.6 | 0 | 0 | 0 | 112.1 | R663 E664 A669 T670 L671 | R663-L667 PolarHBondContact O-N 3.02Å; E664-L667 PolarHBondContact O-N 3.46Å; L667-A669 VanDerWaalsContact C-N 3.32Å; L667-A669 PolarHBondContact O-N 3.05Å; L667-T670 PolarHBondContact O-N 2.71Å; L667-T670 PolarHBondContact O-OG1 3.01Å; L667-L671 HydrophobicContact CD1-CD1 4.35Å; L667-L671 HydrophobicContact CD1-CG 4.44Å; L667-L671 HydrophobicContact CG-CD1 4.11Å; L667-L671 WeakPolarHBondContact O-CB 3.41Å; L667-L671 VanDerWaalsContact O-CG 3.31Å; L667-L671 WeakPolarHBondContact O-CG 3.5Å; L667-L671 PolarHBondContact O-N 3.48Å |
| 668 | M | 92.4 | Very high | 94.3 | Very high | 111 Ų | 111 | 102.5 Ų | 102.5 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176.2 | -68 | -58.8 | 111.3 | 0 | 0 | 111.7 | E664 Q665 L671 A672 | E664-M668 WeakPolarHBondContact O-CG 3.43Å; E664-M668 PolarHBondContact O-N 2.97Å; Q665-M668 PolarHBondContact O-N 3.05Å; M668-L671 HydrophobicContact CE-CD1 3.83Å; M668-L671 PolarHBondContact O-N 2.9Å; M668-A672 WeakPolarHBondContact O-CB 3.33Å; M668-A672 PolarHBondContact O-N 3.22Å |
| 669 | A | 95.2 | Very high | 94.2 | Very high | 60 Ų | 60 | 100.7 Ų | 100.7 | 50% | 0.496 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q665 T666 L667 L671 A672 E673 | Q665-A669 WeakPolarHBondContact O-CB 3.49Å; Q665-A669 PolarHBondContact O-N 3.29Å; T666-A669 PolarHBondContact O-N 3.09Å; L667-A669 VanDerWaalsContact C-N 3.32Å; L667-A669 PolarHBondContact O-N 3.05Å; A669-L671 PolarHBondContact O-N 3.03Å; A669-A672 PolarHBondContact O-N 2.76Å; A669-E673 PolarHBondContact O-N 3.23Å |
| 670 | T | 93.6 | Very high | 94.2 | Very high | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.454 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 178.1 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | T666 L667 E674 | T666-T670 PolarHBondContact O-N 3.04Å; T666-T670 PolarHBondContact O-OG1 3.4Å; L667-T670 PolarHBondContact O-N 2.71Å; L667-T670 PolarHBondContact O-OG1 3.01Å; T670-E674 WeakPolarHBondContact O-CB 3.31Å; T670-E674 PolarHBondContact O-N 2.93Å; T670-E674 VanDerWaalsContact O-N 3.12Å |
| 671 | L | 93.4 | Very high | 94.2 | Very high | 97 Ų | 97 | 99.6 Ų | 99.6 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 173.1 | -71.1 | 172.3 | 0 | 0 | 0 | 112.2 | L667 M668 A669 W675 | L667-L671 HydrophobicContact CD1-CD1 4.35Å; L667-L671 HydrophobicContact CD1-CG 4.44Å; L667-L671 HydrophobicContact CG-CD1 4.11Å; L667-L671 WeakPolarHBondContact O-CB 3.41Å; L667-L671 VanDerWaalsContact O-CG 3.31Å; L667-L671 WeakPolarHBondContact O-CG 3.5Å; L667-L671 PolarHBondContact O-N 3.48Å; M668-L671 HydrophobicContact CE-CD1 3.83Å; M668-L671 PolarHBondContact O-N 2.9Å; A669-L671 PolarHBondContact O-N 3.03Å; L671-W675 VanDerWaalsContact O-CB 3.24Å; L671-W675 WeakPolarHBondContact O-CB 3.12Å; L671-W675 PolarHBondContact O-N 2.85Å |
| 672 | A | 94.6 | Very high | 94.2 | Very high | 44 Ų | 44 | 97.9 Ų | 97.9 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M668 A669 W675 H676 | M668-A672 WeakPolarHBondContact O-CB 3.33Å; M668-A672 PolarHBondContact O-N 3.22Å; A669-A672 PolarHBondContact O-N 2.76Å; A672-W675 PolarHBondContact O-N 2.89Å; A672-H676 PolarHBondContact O-CD2 3.37Å; A672-H676 PolarHBondContact O-N 3.5Å |
| 673 | E | 94.1 | Very high | 94.2 | Very high | 142 Ų | 142 | 92.5 Ų | 92.5 | 66% | 0.664 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 177.7 | -172.7 | 176.6 | -172.5 | 0 | 0 | 111.9 | A669 W675 H676 K677 | A669-E673 PolarHBondContact O-N 3.23Å; E673-W675 VanDerWaalsContact C-N 3.27Å; E673-W675 PolarHBondContact O-N 2.82Å; E673-H676 PolarHBondContact O-N 3.32Å; E673-K677 VanDerWaalsContact O-CB 3.27Å; E673-K677 WeakPolarHBondContact O-CB 3.41Å; E673-K677 PolarHBondContact O-N 3.02Å |
| 674 | E | 93.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 89.7 Ų | 89.7 | 33% | 0.332 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68 | -23.8 | 176.1 | -84.3 | -76.1 | 118.2 | 0 | 0 | 112.9 | T670 K677 R678 | T670-E674 WeakPolarHBondContact O-CB 3.31Å; T670-E674 PolarHBondContact O-N 2.93Å; T670-E674 VanDerWaalsContact O-N 3.12Å; E674-K677 WeakPolarHBondContact OE1-CD 3.25Å; E674-K677 WeakPolarHBondContact OE1-CE 3.34Å; E674-K677 IonicContact OE1-NZ 3.3Å; E674-K677 PolarHBondContact OE1-NZ 2.98Å; E674-R678 WeakPolarHBondContact O-CG 3.5Å; E674-R678 PolarHBondContact O-N 2.9Å; E674-R678 PolarHBondContact O-NH1 2.73Å; E674-R678 IonicContact OE2-CZ 2.7Å; E674-R678 VanDerWaalsContact OE2-CZ 3.27Å; E674-R678 IonicContact OE2-NH1 2.65Å; E674-R678 PolarHBondContact OE2-NH1 3.4Å; E674-R678 IonicContact OE2-NH2 3.88Å; E674-R678 PolarHBondContact OE2-NH2 3.08Å |
| 675 | W | 95.2 | Very high | 94.2 | Very high | 113 Ų | 113 | 90.3 Ų | 90.3 | 43% | 0.428 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.7 | -53.2 | 169.7 | -178.7 | 90.3 | 0 | 0 | 0 | 111.6 | T611 L671 A672 E673 K677 R678 D679 | T611-W675 HydrophobicContact CG2-CZ3 4.39Å; L671-W675 VanDerWaalsContact O-CB 3.24Å; L671-W675 WeakPolarHBondContact O-CB 3.12Å; L671-W675 PolarHBondContact O-N 2.85Å; A672-W675 PolarHBondContact O-N 2.89Å; E673-W675 VanDerWaalsContact C-N 3.27Å; E673-W675 PolarHBondContact O-N 2.82Å; W675-K677 VanDerWaalsContact C-N 3.25Å; W675-K677 PolarHBondContact O-N 3.19Å; W675-R678 PolarHBondContact O-N 2.92Å; W675-D679 PolarHBondContact O-N 2.9Å |
| 676 | H | 95.8 | Very high | 94.1 | Very high | 87 Ų | 87 | 90.8 Ų | 90.8 | 40% | 0.403 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.9 | -38.3 | 178.6 | -78.2 | -63.8 | 0 | 0 | 0 | 112.6 | A672 E673 D679 S680 | A672-H676 PolarHBondContact O-CD2 3.37Å; A672-H676 PolarHBondContact O-N 3.5Å; E673-H676 PolarHBondContact O-N 3.32Å; H676-D679 PolarHBondContact O-N 3.13Å; H676-S680 WeakPolarHBondContact O-CB 3.36Å; H676-S680 PolarHBondContact O-N 2.98Å; H676-S680 PolarHBondContact O-OG 2.94Å |
| 677 | K | 95 | Very high | 94.2 | Very high | 110 Ų | 110 | 94.5 Ų | 94.5 | 48% | 0.478 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 175.6 | -178.9 | 174.6 | 166 | -167.5 | 0 | 112.6 | E673 E674 W675 Q681 | E673-K677 VanDerWaalsContact O-CB 3.27Å; E673-K677 WeakPolarHBondContact O-CB 3.41Å; E673-K677 PolarHBondContact O-N 3.02Å; E674-K677 WeakPolarHBondContact OE1-CD 3.25Å; E674-K677 WeakPolarHBondContact OE1-CE 3.34Å; E674-K677 IonicContact OE1-NZ 3.3Å; E674-K677 PolarHBondContact OE1-NZ 2.98Å; W675-K677 VanDerWaalsContact C-N 3.25Å; W675-K677 PolarHBondContact O-N 3.19Å; K677-Q681 VanDerWaalsContact O-CG 3.28Å; K677-Q681 WeakPolarHBondContact O-CG 3.3Å; K677-Q681 PolarHBondContact O-N 2.84Å; K677-Q681 VanDerWaalsContact O-N 3.16Å |
| 678 | R | 92.9 | Very high | 94.4 | Very high | 122 Ų | 122 | 96.1 Ų | 96.1 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.2 | -37 | 173.7 | -76.5 | 177.2 | -175.3 | 70 | 3.4 | 112.4 | E674 W675 Q681 R682 | E674-R678 WeakPolarHBondContact O-CG 3.5Å; E674-R678 PolarHBondContact O-N 2.9Å; E674-R678 PolarHBondContact O-NH1 2.73Å; E674-R678 IonicContact OE2-CZ 2.7Å; E674-R678 VanDerWaalsContact OE2-CZ 3.27Å; E674-R678 IonicContact OE2-NH1 2.65Å; E674-R678 PolarHBondContact OE2-NH1 3.4Å; E674-R678 IonicContact OE2-NH2 3.88Å; E674-R678 PolarHBondContact OE2-NH2 3.08Å; W675-R678 PolarHBondContact O-N 2.92Å; R678-Q681 PolarHBondContact O-N 3.24Å; R678-R682 WeakPolarHBondContact O-CG 3.42Å; R678-R682 PolarHBondContact O-N 2.95Å |
| 679 | D | 92.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 95.2 Ų | 95.2 | 10% | 0.102 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.6 | -151 | 59 | 0 | 0 | 0 | 111.1 | N608 T609 W675 H676 Q681 R682 E683 | N608-D679 PolarHBondContact OD1-O 2.84Å; N608-D679 PolarHBondContact OD1-OD1 3.48Å; T609-D679 PolarHBondContact N-OD2 2.7Å; W675-D679 PolarHBondContact O-N 2.9Å; H676-D679 PolarHBondContact O-N 3.13Å; D679-Q681 VanDerWaalsContact C-N 3.3Å; D679-Q681 PolarHBondContact O-N 2.79Å; D679-R682 WeakPolarHBondContact O-CB 3.49Å; D679-R682 PolarHBondContact O-N 2.81Å; D679-R682 VanDerWaalsContact O-N 3.16Å; D679-R682 IonicContact OD1-CZ 3.54Å; D679-R682 IonicContact OD1-NE 2.72Å; D679-R682 IonicContact OD1-NH2 3.3Å; D679-R682 PolarHBondContact OD1-NH2 2.6Å; D679-E683 PolarHBondContact O-N 3.21Å |
| 680 | S | 94.3 | Very high | 94.5 | Very high | 70 Ų | 70 | 97.2 Ų | 97.2 | 49% | 0.49 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 175.1 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | H676 I684 | H676-S680 WeakPolarHBondContact O-CB 3.36Å; H676-S680 PolarHBondContact O-N 2.98Å; H676-S680 PolarHBondContact O-OG 2.94Å; S680-I684 WeakPolarHBondContact O-CD1 3.48Å; S680-I684 WeakPolarHBondContact O-CG1 3.28Å; S680-I684 PolarHBondContact O-N 3.02Å |
| 681 | Q | 94.9 | Very high | 94.6 | Very high | 109 Ų | 109 | 96.7 Ų | 96.7 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 175.8 | -75.4 | 174.2 | -14.8 | 0 | 0 | 112.5 | K677 R678 D679 I685 | K677-Q681 VanDerWaalsContact O-CG 3.28Å; K677-Q681 WeakPolarHBondContact O-CG 3.3Å; K677-Q681 PolarHBondContact O-N 2.84Å; K677-Q681 VanDerWaalsContact O-N 3.16Å; R678-Q681 PolarHBondContact O-N 3.24Å; D679-Q681 VanDerWaalsContact C-N 3.3Å; D679-Q681 PolarHBondContact O-N 2.79Å; Q681-I685 WeakPolarHBondContact O-CG1 3.38Å; Q681-I685 PolarHBondContact O-N 3.37Å |
| 682 | R | 95.4 | Very high | 94.7 | Very high | 91 Ų | 91 | 95.1 Ų | 95.1 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 173.1 | -77.5 | -173.8 | -64.9 | -104.7 | 6.2 | 111.1 | N608 R678 D679 I684 I685 Y686 | N608-R682 WeakPolarHBondContact OD1-CB 3.13Å; R678-R682 WeakPolarHBondContact O-CG 3.42Å; R678-R682 PolarHBondContact O-N 2.95Å; D679-R682 WeakPolarHBondContact O-CB 3.49Å; D679-R682 PolarHBondContact O-N 2.81Å; D679-R682 VanDerWaalsContact O-N 3.16Å; D679-R682 IonicContact OD1-CZ 3.54Å; D679-R682 IonicContact OD1-NE 2.72Å; D679-R682 IonicContact OD1-NH2 3.3Å; D679-R682 PolarHBondContact OD1-NH2 2.6Å; R682-I684 VanDerWaalsContact C-N 3.32Å; R682-I684 PolarHBondContact O-N 2.78Å; R682-I685 WeakPolarHBondContact O-CB 3.46Å; R682-I685 PolarHBondContact O-N 2.83Å; R682-Y686 HydrophobicContact CB-CD2 4.15Å; R682-Y686 HydrophobicContact CB-CE2 4.03Å; R682-Y686 WeakPolarHBondContact O-CD2 3.39Å; R682-Y686 PolarHBondContact O-N 2.98Å |
| 683 | E | 94.9 | Very high | 94.7 | Very high | 34 Ų | 34 | 100 Ų | 100 | 16% | 0.159 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.9 | -41.2 | -177.7 | -175.8 | 62.5 | -178.7 | 0 | 0 | 112.7 | N608 D679 I685 Y686 R687 | N608-E683 HydrophobicContact CB-CB 3.88Å; N608-E683 HydrophobicContact CB-CG 4.31Å; N608-E683 WeakPolarHBondContact CB-OE2 3.28Å; N608-E683 PolarHBondContact N-OE2 2.92Å; N608-E683 VanDerWaalsContact ND2-CA 3.33Å; N608-E683 WeakPolarHBondContact ND2-CA 3.49Å; N608-E683 PolarHBondContact ND2-N 2.84Å; N608-E683 PolarHBondContact ND2-OE2 2.82Å; D679-E683 PolarHBondContact O-N 3.21Å; E683-I685 VanDerWaalsContact C-N 3.32Å; E683-I685 PolarHBondContact O-N 2.74Å; E683-Y686 PolarHBondContact O-N 2.89Å; E683-R687 HydrophobicContact CG-CG 4.48Å; E683-R687 WeakPolarHBondContact O-CB 3.44Å; E683-R687 WeakPolarHBondContact O-CG 3.28Å; E683-R687 PolarHBondContact O-N 2.89Å; E683-R687 IonicContact OE1-CZ 3.12Å; E683-R687 IonicContact OE1-NE 3.42Å; E683-R687 PolarHBondContact OE1-NE 2.94Å; E683-R687 IonicContact OE1-NH2 2.74Å; E683-R687 PolarHBondContact OE1-NH2 3.3Å |
| 684 | I | 93.7 | Very high | 94.8 | Very high | 119 Ų | 119 | 98.7 Ų | 98.7 | 61% | 0.61 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 176.2 | -67.7 | 166.2 | 0 | 0 | 0 | 111.1 | S680 R682 K688 | S680-I684 WeakPolarHBondContact O-CD1 3.48Å; S680-I684 WeakPolarHBondContact O-CG1 3.28Å; S680-I684 PolarHBondContact O-N 3.02Å; R682-I684 VanDerWaalsContact C-N 3.32Å; R682-I684 PolarHBondContact O-N 2.78Å; I684-K688 WeakPolarHBondContact O-CB 3.49Å; I684-K688 PolarHBondContact O-N 3.39Å; I684-K688 VanDerWaalsContact O-N 3.09Å |
| 685 | I | 93.4 | Very high | 94.9 | Very high | 109 Ų | 109 | 97.2 Ų | 97.2 | 56% | 0.559 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.1 | -45.2 | 177.3 | -66.4 | 166.4 | 0 | 0 | 0 | 110.9 | Q681 R682 E683 K688 K689 | Q681-I685 WeakPolarHBondContact O-CG1 3.38Å; Q681-I685 PolarHBondContact O-N 3.37Å; R682-I685 WeakPolarHBondContact O-CB 3.46Å; R682-I685 PolarHBondContact O-N 2.83Å; E683-I685 VanDerWaalsContact C-N 3.32Å; E683-I685 PolarHBondContact O-N 2.74Å; I685-K688 PolarHBondContact O-N 2.79Å; I685-K689 WeakPolarHBondContact O-CG 3.43Å; I685-K689 PolarHBondContact O-N 3.35Å |
| 686 | Y | 93.8 | Very high | 94.9 | Very high | 147 Ų | 147 | 96.9 Ų | 96.9 | 58% | 0.576 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 177.8 | -76 | -64.7 | 0 | 0 | 0 | 112.2 | R682 E683 K688 K689 L690 | R682-Y686 HydrophobicContact CB-CD2 4.15Å; R682-Y686 HydrophobicContact CB-CE2 4.03Å; R682-Y686 WeakPolarHBondContact O-CD2 3.39Å; R682-Y686 PolarHBondContact O-N 2.98Å; E683-Y686 PolarHBondContact O-N 2.89Å; Y686-K688 VanDerWaalsContact C-N 3.35Å; Y686-K688 PolarHBondContact O-N 2.91Å; Y686-K689 PolarHBondContact O-N 2.96Å; Y686-L690 WeakPolarHBondContact O-CB 3.46Å; Y686-L690 PolarHBondContact O-N 2.98Å |
| 687 | R | 96.5 | Very high | 94.8 | Very high | 160 Ų | 160 | 97.3 Ų | 97.3 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.8 | -43.7 | 175.7 | -73.3 | -177.7 | -172.2 | -173.2 | 7.4 | 112.1 | E683 L690 S691 | E683-R687 HydrophobicContact CG-CG 4.48Å; E683-R687 WeakPolarHBondContact O-CB 3.44Å; E683-R687 WeakPolarHBondContact O-CG 3.28Å; E683-R687 PolarHBondContact O-N 2.89Å; E683-R687 IonicContact OE1-CZ 3.12Å; E683-R687 IonicContact OE1-NE 3.42Å; E683-R687 PolarHBondContact OE1-NE 2.94Å; E683-R687 IonicContact OE1-NH2 2.74Å; E683-R687 PolarHBondContact OE1-NH2 3.3Å; R687-L690 PolarHBondContact O-N 3.22Å; R687-S691 PolarHBondContact O-N 2.82Å; R687-S691 VanDerWaalsContact O-N 3.07Å |
| 688 | K | 96 | Very high | 94.8 | Very high | 130 Ų | 130 | 97.9 Ų | 97.9 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.8 | -48.8 | 175 | -178.6 | 171.6 | 175.2 | 174.6 | 0 | 110.9 | I684 I685 Y686 L690 S691 E692 | I684-K688 WeakPolarHBondContact O-CB 3.49Å; I684-K688 PolarHBondContact O-N 3.39Å; I684-K688 VanDerWaalsContact O-N 3.09Å; I685-K688 PolarHBondContact O-N 2.79Å; Y686-K688 VanDerWaalsContact C-N 3.35Å; Y686-K688 PolarHBondContact O-N 2.91Å; K688-L690 PolarHBondContact O-N 2.84Å; K688-S691 PolarHBondContact O-N 2.7Å; K688-S691 PolarHBondContact O-OG 2.87Å; K688-E692 WeakPolarHBondContact CE-OE1 3.28Å; K688-E692 WeakPolarHBondContact O-CG 3.49Å; K688-E692 PolarHBondContact O-N 3.09Å |
| 689 | K | 96.1 | Very high | 95 | Very high | 91 Ų | 91 | 98.6 Ų | 98.6 | 40% | 0.396 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 178.8 | -75.3 | -73.4 | 159.3 | -157 | 0 | 113 | I685 Y686 S691 E692 Y693 | I685-K689 WeakPolarHBondContact O-CG 3.43Å; I685-K689 PolarHBondContact O-N 3.35Å; Y686-K689 PolarHBondContact O-N 2.96Å; K689-S691 PolarHBondContact O-N 3.3Å; K689-E692 WeakPolarHBondContact CE-OE2 3.49Å; K689-E692 IonicContact NZ-OE2 3.38Å; K689-E692 PolarHBondContact NZ-OE2 3Å; K689-E692 PolarHBondContact O-N 2.93Å; K689-Y693 HydrophobicContact CB-CE2 4.09Å; K689-Y693 WeakPolarHBondContact O-CD2 3.27Å; K689-Y693 PolarHBondContact O-N 3.45Å |
| 690 | L | 95.2 | Very high | 95 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 175.1 | -174.5 | 62.3 | 0 | 0 | 0 | 111.7 | Y686 R687 K688 Y693 Q694 | Y686-L690 WeakPolarHBondContact O-CB 3.46Å; Y686-L690 PolarHBondContact O-N 2.98Å; R687-L690 PolarHBondContact O-N 3.22Å; K688-L690 PolarHBondContact O-N 2.84Å; L690-Y693 PolarHBondContact O-N 3.38Å; L690-Q694 WeakPolarHBondContact O-CG 3.29Å; L690-Q694 PolarHBondContact O-N 2.78Å |
| 691 | S | 95.4 | Very high | 95 | Very high | 62 Ų | 62 | 105.7 Ų | 105.7 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 176.3 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | R687 K688 K689 A695 | R687-S691 PolarHBondContact O-N 2.82Å; R687-S691 VanDerWaalsContact O-N 3.07Å; K688-S691 PolarHBondContact O-N 2.7Å; K688-S691 PolarHBondContact O-OG 2.87Å; K689-S691 PolarHBondContact O-N 3.3Å; S691-A695 WeakPolarHBondContact O-CB 3.44Å; S691-A695 PolarHBondContact O-N 3.43Å; S691-A695 VanDerWaalsContact O-N 3.09Å |
| 692 | E | 94.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 104.8 Ų | 104.8 | 30% | 0.304 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 173.8 | -72.5 | 172.9 | -176.3 | 0 | 0 | 111.2 | K688 K689 L696 | K688-E692 WeakPolarHBondContact CE-OE1 3.28Å; K688-E692 WeakPolarHBondContact O-CG 3.49Å; K688-E692 PolarHBondContact O-N 3.09Å; K689-E692 WeakPolarHBondContact CE-OE2 3.49Å; K689-E692 IonicContact NZ-OE2 3.38Å; K689-E692 PolarHBondContact NZ-OE2 3Å; K689-E692 PolarHBondContact O-N 2.93Å; E692-L696 WeakPolarHBondContact O-CD1 3.42Å; E692-L696 VanDerWaalsContact O-CG 3.29Å; E692-L696 WeakPolarHBondContact O-CG 3.1Å; E692-L696 PolarHBondContact O-N 2.91Å; E692-L696 VanDerWaalsContact O-N 3.13Å |
| 693 | Y | 94.7 | Very high | 95 | Very high | 147 Ų | 147 | 103.5 Ų | 103.5 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.8 | -41.7 | 177.2 | -65.4 | -46.6 | 0 | 0 | 0 | 112.9 | K689 L690 A695 L696 E697 | K689-Y693 HydrophobicContact CB-CE2 4.09Å; K689-Y693 WeakPolarHBondContact O-CD2 3.27Å; K689-Y693 PolarHBondContact O-N 3.45Å; L690-Y693 PolarHBondContact O-N 3.38Å; Y693-A695 PolarHBondContact O-N 3.38Å; Y693-L696 PolarHBondContact O-N 2.78Å; Y693-E697 WeakPolarHBondContact O-CB 3.24Å; Y693-E697 PolarHBondContact O-N 2.72Å |
| 694 | Q | 95.9 | Very high | 94.9 | Very high | 113 Ų | 113 | 106.6 Ų | 106.6 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.5 | -75 | 172.3 | -22 | 0 | 0 | 111.7 | L690 L696 E697 E698 | L690-Q694 WeakPolarHBondContact O-CG 3.29Å; L690-Q694 PolarHBondContact O-N 2.78Å; Q694-L696 VanDerWaalsContact C-N 3.27Å; Q694-L696 PolarHBondContact O-N 3.18Å; Q694-E697 PolarHBondContact O-N 2.89Å; Q694-E698 PolarHBondContact O-N 3.46Å |
| 695 | A | 95.6 | Very high | 94.9 | Very high | 40 Ų | 40 | 106.2 Ų | 106.2 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -23.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S691 Y693 K699 | S691-A695 WeakPolarHBondContact O-CB 3.44Å; S691-A695 PolarHBondContact O-N 3.43Å; S691-A695 VanDerWaalsContact O-N 3.09Å; Y693-A695 PolarHBondContact O-N 3.38Å; A695-K699 VanDerWaalsContact O-CD 3.25Å; A695-K699 WeakPolarHBondContact O-CD 3.33Å; A695-K699 WeakPolarHBondContact O-CG 3.36Å |
| 696 | L | 95.4 | Very high | 95 | Very high | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79.1 | -39.6 | 170.9 | -74.7 | 167.2 | 0 | 0 | 0 | 111.7 | E692 Y693 Q694 K699 L700 | E692-L696 WeakPolarHBondContact O-CD1 3.42Å; E692-L696 VanDerWaalsContact O-CG 3.29Å; E692-L696 WeakPolarHBondContact O-CG 3.1Å; E692-L696 PolarHBondContact O-N 2.91Å; E692-L696 VanDerWaalsContact O-N 3.13Å; Y693-L696 PolarHBondContact O-N 2.78Å; Q694-L696 VanDerWaalsContact C-N 3.27Å; Q694-L696 PolarHBondContact O-N 3.18Å; L696-K699 PolarHBondContact O-N 3.1Å; L696-L700 PolarHBondContact O-N 2.92Å |
| 697 | E | 94.4 | Very high | 94.9 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 179.4 | -160.6 | -161.9 | -159.5 | 0 | 0 | 111.9 | Y693 Q694 L700 R701 | Y693-E697 WeakPolarHBondContact O-CB 3.24Å; Y693-E697 PolarHBondContact O-N 2.72Å; Q694-E697 PolarHBondContact O-N 2.89Å; E697-L700 WeakPolarHBondContact O-CB 3.38Å; E697-L700 PolarHBondContact O-N 2.89Å; E697-R701 VanDerWaalsContact CD-CZ 3.42Å; E697-R701 WeakPolarHBondContact O-CG 3.16Å; E697-R701 PolarHBondContact O-N 2.89Å; E697-R701 IonicContact OE1-CZ 2.7Å; E697-R701 IonicContact OE1-NH1 3.57Å; E697-R701 IonicContact OE1-NH2 2.73Å; E697-R701 PolarHBondContact OE1-NH2 3.41Å; E697-R701 IonicContact OE2-CZ 2.63Å; E697-R701 IonicContact OE2-NH1 3.63Å; E697-R701 PolarHBondContact OE2-NH1 2.85Å; E697-R701 IonicContact OE2-NH2 2.72Å; E697-R701 PolarHBondContact OE2-NH2 2.68Å |
| 698 | E | 95.9 | Very high | 94.7 | Very high | 121 Ų | 121 | 95.6 Ų | 95.6 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 173.6 | -174.4 | -179.6 | -168.2 | 0 | 0 | 111.8 | Q694 L700 R701 N702 | Q694-E698 PolarHBondContact O-N 3.46Å; E698-L700 VanDerWaalsContact C-N 3.32Å; E698-L700 PolarHBondContact O-N 3.47Å; E698-R701 PolarHBondContact O-N 2.75Å; E698-N702 PolarHBondContact O-N 2.89Å; E698-N702 PolarHBondContact O-ND2 3.4Å |
| 699 | K | 95.4 | Very high | 94.7 | Very high | 137 Ų | 137 | 92.3 Ų | 92.3 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 175.1 | -74.3 | 172 | -172 | 174.5 | 0 | 111.9 | A695 L696 N702 T703 | A695-K699 VanDerWaalsContact O-CD 3.25Å; A695-K699 WeakPolarHBondContact O-CD 3.33Å; A695-K699 WeakPolarHBondContact O-CG 3.36Å; L696-K699 PolarHBondContact O-N 3.1Å; K699-N702 PolarHBondContact O-N 2.68Å; K699-T703 WeakPolarHBondContact O-CG2 3.27Å; K699-T703 PolarHBondContact O-N 2.81Å; K699-T703 PolarHBondContact O-OG1 2.91Å |
| 700 | L | 94 | Very high | 94.6 | Very high | 106 Ų | 106 | 92.2 Ų | 92.2 | 56% | 0.555 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.5 | -166.3 | 87.2 | 0 | 0 | 0 | 111.7 | L696 E697 E698 N702 T703 L704 | L696-L700 PolarHBondContact O-N 2.92Å; E697-L700 WeakPolarHBondContact O-CB 3.38Å; E697-L700 PolarHBondContact O-N 2.89Å; E698-L700 VanDerWaalsContact C-N 3.32Å; E698-L700 PolarHBondContact O-N 3.47Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.34Å; L700-T703 PolarHBondContact O-OG1 2.91Å; L700-L704 HydrophobicContact CD2-CD1 4.3Å; L700-L704 HydrophobicContact CG-CD1 4.13Å; L700-L704 WeakPolarHBondContact O-CB 3.19Å; L700-L704 WeakPolarHBondContact O-CD1 3.24Å; L700-L704 VanDerWaalsContact O-CG 3.23Å; L700-L704 WeakPolarHBondContact O-CG 3.41Å; L700-L704 PolarHBondContact O-N 3.25Å |
| 701 | R | 94.7 | Very high | 94.3 | Very high | 132 Ų | 132 | 92 Ų | 92 | 50% | 0.498 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 175.7 | -73.2 | -175.7 | 179.9 | 101.5 | 9.4 | 111.6 | E697 E698 L704 I705 | E697-R701 VanDerWaalsContact CD-CZ 3.42Å; E697-R701 WeakPolarHBondContact O-CG 3.16Å; E697-R701 PolarHBondContact O-N 2.89Å; E697-R701 IonicContact OE1-CZ 2.7Å; E697-R701 IonicContact OE1-NH1 3.57Å; E697-R701 IonicContact OE1-NH2 2.73Å; E697-R701 PolarHBondContact OE1-NH2 3.41Å; E697-R701 IonicContact OE2-CZ 2.63Å; E697-R701 IonicContact OE2-NH1 3.63Å; E697-R701 PolarHBondContact OE2-NH1 2.85Å; E697-R701 IonicContact OE2-NH2 2.72Å; E697-R701 PolarHBondContact OE2-NH2 2.68Å; E698-R701 PolarHBondContact O-N 2.75Å; R701-L704 PolarHBondContact O-N 2.89Å; R701-I705 WeakPolarHBondContact O-CG1 3.34Å; R701-I705 PolarHBondContact O-N 2.95Å; R701-I705 VanDerWaalsContact O-N 3.13Å |
| 702 | N | 95.7 | Very high | 94.3 | Very high | 91 Ų | 91 | 97.1 Ų | 97.1 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -44 | -179 | -70 | -22 | 0 | 0 | 0 | 112.2 | E698 K699 L700 L704 I705 E706 | E698-N702 PolarHBondContact O-N 2.89Å; E698-N702 PolarHBondContact O-ND2 3.4Å; K699-N702 PolarHBondContact O-N 2.68Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.34Å; N702-L704 PolarHBondContact O-N 2.84Å; N702-I705 PolarHBondContact O-N 2.96Å; N702-E706 PolarHBondContact O-N 3.09Å |
| 703 | T | 93.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 100.7 Ų | 100.7 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.3 | -35.1 | 176.7 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | K699 L700 I705 E706 L707 | K699-T703 WeakPolarHBondContact O-CG2 3.27Å; K699-T703 PolarHBondContact O-N 2.81Å; K699-T703 PolarHBondContact O-OG1 2.91Å; L700-T703 PolarHBondContact O-OG1 2.91Å; T703-I705 VanDerWaalsContact C-N 3.34Å; T703-I705 PolarHBondContact O-N 2.85Å; T703-E706 PolarHBondContact O-N 2.89Å; T703-L707 VanDerWaalsContact O-CB 3.3Å; T703-L707 WeakPolarHBondContact O-CB 3.48Å; T703-L707 WeakPolarHBondContact O-CD1 3.5Å; T703-L707 WeakPolarHBondContact O-CG 3.3Å; T703-L707 PolarHBondContact O-N 3.35Å |
| 704 | L | 91.6 | Very high | 94 | Very high | 98 Ų | 98 | 95.9 Ų | 95.9 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 173.7 | -74.8 | 168.9 | 0 | 0 | 0 | 112.5 | L700 R701 N702 A708 | L700-L704 HydrophobicContact CD2-CD1 4.3Å; L700-L704 HydrophobicContact CG-CD1 4.13Å; L700-L704 WeakPolarHBondContact O-CB 3.19Å; L700-L704 WeakPolarHBondContact O-CD1 3.24Å; L700-L704 VanDerWaalsContact O-CG 3.23Å; L700-L704 WeakPolarHBondContact O-CG 3.41Å; L700-L704 PolarHBondContact O-N 3.25Å; R701-L704 PolarHBondContact O-N 2.89Å; N702-L704 PolarHBondContact O-N 2.84Å; L704-A708 VanDerWaalsContact O-CB 3.32Å; L704-A708 WeakPolarHBondContact O-CB 3.09Å; L704-A708 PolarHBondContact O-N 3.15Å |
| 705 | I | 95 | Very high | 93.8 | Very high | 112 Ų | 112 | 95.3 Ų | 95.3 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.3 | -46 | 175.3 | -67.5 | 166 | 0 | 0 | 0 | 110.6 | R701 N702 T703 L707 A708 T709 | R701-I705 WeakPolarHBondContact O-CG1 3.34Å; R701-I705 PolarHBondContact O-N 2.95Å; R701-I705 VanDerWaalsContact O-N 3.13Å; N702-I705 PolarHBondContact O-N 2.96Å; T703-I705 VanDerWaalsContact C-N 3.34Å; T703-I705 PolarHBondContact O-N 2.85Å; I705-L707 PolarHBondContact O-N 2.83Å; I705-A708 PolarHBondContact O-N 2.88Å; I705-T709 PolarHBondContact O-N 3.17Å |
| 706 | E | 94.1 | Very high | 93.7 | Very high | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.7 | -48.7 | 177.1 | -169.1 | -170.8 | 157.4 | 0 | 0 | 111.2 | N702 T703 A708 T709 R710 | N702-E706 PolarHBondContact O-N 3.09Å; T703-E706 PolarHBondContact O-N 2.89Å; E706-A708 PolarHBondContact O-N 2.82Å; E706-T709 PolarHBondContact O-N 2.92Å; E706-T709 VanDerWaalsContact O-N 3.12Å; E706-T709 PolarHBondContact O-OG1 3.13Å; E706-R710 PolarHBondContact O-N 3.29Å |
| 707 | L | 91.7 | Very high | 93.6 | Very high | 26 Ų | 26 | 93.2 Ų | 93.2 | 14% | 0.136 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -56 | -47.5 | 174.9 | -75.9 | 167.1 | 0 | 0 | 0 | 112.1 | Q66 Q70 T703 I705 T709 R710 E711 | Q66-L707 VanDerWaalsContact CD-CD1 3.48Å; Q66-L707 HydrophobicContact CG-CD1 4.21Å; Q66-L707 HydrophobicContact CG-CD2 3.62Å; Q70-L707 HydrophobicContact CG-CD2 4.14Å; T703-L707 VanDerWaalsContact O-CB 3.3Å; T703-L707 WeakPolarHBondContact O-CB 3.48Å; T703-L707 WeakPolarHBondContact O-CD1 3.5Å; T703-L707 WeakPolarHBondContact O-CG 3.3Å; T703-L707 PolarHBondContact O-N 3.35Å; I705-L707 PolarHBondContact O-N 2.83Å; L707-T709 PolarHBondContact O-N 3.21Å; L707-R710 PolarHBondContact O-N 3.05Å; L707-E711 WeakPolarHBondContact O-CB 3.48Å; L707-E711 PolarHBondContact O-N 2.88Å |
| 708 | A | 93.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 94.5 Ų | 94.5 | 30% | 0.298 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.3 | -20.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L704 I705 E706 R712 | L704-A708 VanDerWaalsContact O-CB 3.32Å; L704-A708 WeakPolarHBondContact O-CB 3.09Å; L704-A708 PolarHBondContact O-N 3.15Å; I705-A708 PolarHBondContact O-N 2.88Å; E706-A708 PolarHBondContact O-N 2.82Å; A708-R712 PolarHBondContact O-NE 2.87Å; A708-R712 PolarHBondContact O-NH2 3.2Å |
| 709 | T | 95 | Very high | 93.3 | Very high | 61 Ų | 61 | 91.7 Ų | 91.7 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -83.4 | -41 | 170 | 61.8 | 0 | 0 | 0 | 0 | 112 | I705 E706 L707 E711 R712 Q713 | I705-T709 PolarHBondContact O-N 3.17Å; E706-T709 PolarHBondContact O-N 2.92Å; E706-T709 VanDerWaalsContact O-N 3.12Å; E706-T709 PolarHBondContact O-OG1 3.13Å; L707-T709 PolarHBondContact O-N 3.21Å; T709-E711 PolarHBondContact O-N 2.61Å; T709-R712 PolarHBondContact O-N 3.28Å; T709-Q713 WeakPolarHBondContact O-CG 3.5Å; T709-Q713 PolarHBondContact O-N 3.37Å; T709-Q713 VanDerWaalsContact O-N 3.08Å |
| 710 | R | 94.2 | Very high | 93.2 | Very high | 88 Ų | 88 | 88.7 Ų | 88.7 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 176.4 | -177 | -174.9 | 169.9 | 98.2 | 2.4 | 112.4 | L69 E706 L707 Q713 L714 | L69-R710 HydrophobicContact CD2-CG 3.97Å; L69-R710 PolarHBondContact O-NE 2.99Å; L69-R710 PolarHBondContact O-NH2 3.43Å; E706-R710 PolarHBondContact O-N 3.29Å; L707-R710 PolarHBondContact O-N 3.05Å; R710-Q713 PolarHBondContact O-N 3.17Å; R710-L714 HydrophobicContact CG-CD1 3.86Å; R710-L714 PolarHBondContact O-N 3.31Å |
| 711 | E | 90.2 | Very high | 93 | Very high | 100 Ų | 100 | 88.1 Ų | 88.1 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 176.8 | -175.1 | 173 | -147.8 | 0 | 0 | 111.4 | L69 L707 T709 Q713 L714 I715 | L69-E711 HydrophobicContact CD2-CB 4.5Å; L707-E711 WeakPolarHBondContact O-CB 3.48Å; L707-E711 PolarHBondContact O-N 2.88Å; T709-E711 PolarHBondContact O-N 2.61Å; E711-Q713 VanDerWaalsContact C-N 3.34Å; E711-Q713 PolarHBondContact O-N 3.38Å; E711-L714 PolarHBondContact O-N 2.75Å; E711-I715 HydrophobicContact CG-CD1 3.95Å; E711-I715 WeakPolarHBondContact O-CG1 3.41Å; E711-I715 PolarHBondContact O-N 3.43Å |
| 712 | R | 94.1 | Very high | 92.9 | Very high | 168 Ų | 168 | 85.4 Ų | 85.4 | 63% | 0.634 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.1 | -40.9 | 174.4 | -83.7 | 177.7 | -83.9 | 175.9 | -8 | 112.9 | A708 T709 A716 | A708-R712 PolarHBondContact O-NE 2.87Å; A708-R712 PolarHBondContact O-NH2 3.2Å; T709-R712 PolarHBondContact O-N 3.28Å; R712-A716 PolarHBondContact O-N 3.02Å |
| 713 | Q | 94 | Very high | 92.9 | Very high | 140 Ų | 140 | 87.9 Ų | 87.9 | 65% | 0.654 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.8 | -40.2 | 176.2 | -72.4 | 175.1 | -5.7 | 0 | 0 | 112.5 | T709 R710 E711 A716 G717 | T709-Q713 WeakPolarHBondContact O-CG 3.5Å; T709-Q713 PolarHBondContact O-N 3.37Å; T709-Q713 VanDerWaalsContact O-N 3.08Å; R710-Q713 PolarHBondContact O-N 3.17Å; E711-Q713 VanDerWaalsContact C-N 3.34Å; E711-Q713 PolarHBondContact O-N 3.38Å; Q713-A716 PolarHBondContact O-N 2.67Å; Q713-G717 PolarHBondContact O-N 3.43Å |
| 714 | L | 89.5 | Confident | 92.8 | Very high | 47 Ų | 47 | 89.5 Ų | 89.5 | 25% | 0.246 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -75 | -36.1 | -178.7 | -77 | 161.9 | 0 | 0 | 0 | 112.6 | L69 R710 E711 A716 G717 E718 | L69-L714 HydrophobicContact CD1-CB 3.75Å; L69-L714 HydrophobicContact CD1-CD1 3.59Å; L69-L714 HydrophobicContact CD1-CG 4.29Å; L69-L714 HydrophobicContact CD2-CD1 3.61Å; L69-L714 HydrophobicContact CG-CD1 4.17Å; L69-L714 WeakPolarHBondContact O-CD1 3.24Å; R710-L714 HydrophobicContact CG-CD1 3.86Å; R710-L714 PolarHBondContact O-N 3.31Å; E711-L714 PolarHBondContact O-N 2.75Å; L714-A716 VanDerWaalsContact C-N 3.31Å; L714-A716 PolarHBondContact O-N 2.78Å; L714-G717 PolarHBondContact O-N 2.87Å; L714-E718 WeakPolarHBondContact O-CB 3.29Å; L714-E718 WeakPolarHBondContact O-CG 3.46Å; L714-E718 PolarHBondContact O-N 2.96Å |
| 715 | I | 91.8 | Very high | 92.8 | Very high | 101 Ų | 101 | 91.6 Ų | 91.6 | 52% | 0.518 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 170.2 | -68.7 | 167 | 0 | 0 | 0 | 110.9 | E711 E718 A719 | E711-I715 HydrophobicContact CG-CD1 3.95Å; E711-I715 WeakPolarHBondContact O-CG1 3.41Å; E711-I715 PolarHBondContact O-N 3.43Å; I715-E718 PolarHBondContact O-N 3.36Å; I715-A719 WeakPolarHBondContact O-CB 3.28Å; I715-A719 PolarHBondContact O-N 3.18Å |
| 716 | A | 93.3 | Very high | 92.8 | Very high | 62 Ų | 62 | 91.7 Ų | 91.7 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R712 Q713 L714 E720 | R712-A716 PolarHBondContact O-N 3.02Å; Q713-A716 PolarHBondContact O-N 2.67Å; L714-A716 VanDerWaalsContact C-N 3.31Å; L714-A716 PolarHBondContact O-N 2.78Å; A716-E720 PolarHBondContact O-N 2.75Å |
| 717 | G | 93.2 | Very high | 92.8 | Very high | 40 Ų | 40 | 89.4 Ų | 89.4 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q713 L714 L721 | Q713-G717 PolarHBondContact O-N 3.43Å; L714-G717 PolarHBondContact O-N 2.87Å; G717-L721 VanDerWaalsContact O-CB 3.29Å; G717-L721 WeakPolarHBondContact O-CB 3.1Å; G717-L721 PolarHBondContact O-N 2.94Å |
| 718 | E | 92 | Very high | 92.7 | Very high | 123 Ų | 123 | 92.3 Ų | 92.3 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.7 | -41.3 | 175.7 | -75.5 | 178.4 | 178.2 | 0 | 0 | 111.7 | L714 I715 E720 L721 V722 | L714-E718 WeakPolarHBondContact O-CB 3.29Å; L714-E718 WeakPolarHBondContact O-CG 3.46Å; L714-E718 PolarHBondContact O-N 2.96Å; I715-E718 PolarHBondContact O-N 3.36Å; E718-E720 PolarHBondContact O-N 3.47Å; E718-L721 PolarHBondContact O-N 3.06Å; E718-V722 WeakPolarHBondContact O-CG2 3.35Å; E718-V722 PolarHBondContact O-N 3.13Å |
| 719 | A | 93.1 | Very high | 92.7 | Very high | 63 Ų | 63 | 93.5 Ų | 93.5 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | I715 V722 R723 | I715-A719 WeakPolarHBondContact O-CB 3.28Å; I715-A719 PolarHBondContact O-N 3.18Å; A719-V722 PolarHBondContact O-N 3.09Å; A719-R723 PolarHBondContact O-N 2.97Å |
| 720 | E | 92.9 | Very high | 92.7 | Very high | 74 Ų | 74 | 96.5 Ų | 96.5 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 176.9 | 179.7 | 59.4 | -171.4 | 0 | 0 | 112.2 | A716 E718 V722 R723 L724 | A716-E720 PolarHBondContact O-N 2.75Å; E718-E720 PolarHBondContact O-N 3.47Å; E720-V722 VanDerWaalsContact C-N 3.32Å; E720-V722 PolarHBondContact O-N 2.94Å; E720-R723 VanDerWaalsContact CD-NH2 3.3Å; E720-R723 WeakPolarHBondContact O-CB 3.27Å; E720-R723 PolarHBondContact O-N 2.97Å; E720-R723 VanDerWaalsContact O-N 3.17Å; E720-R723 IonicContact OE1-CZ 2.69Å; E720-R723 IonicContact OE1-NE 3.73Å; E720-R723 IonicContact OE1-NH2 3.76Å; E720-R723 PolarHBondContact OE1-NH2 2.83Å; E720-R723 IonicContact OE2-CZ 3.95Å; E720-R723 VanDerWaalsContact OE2-CZ 3.31Å; E720-R723 IonicContact OE2-NE 2.69Å; E720-R723 PolarHBondContact OE2-NE 2.94Å; E720-R723 IonicContact OE2-NH2 2.63Å; E720-R723 PolarHBondContact OE2-NH2 2.87Å; E720-R723 VanDerWaalsContact OE2-NH2 3.07Å; E720-L724 HydrophobicContact CG-CD1 4.18Å; E720-L724 WeakPolarHBondContact O-CG 3.44Å; E720-L724 PolarHBondContact O-N 3.32Å |
| 721 | L | 89.4 | Confident | 92.6 | Very high | 93 Ų | 93 | 96.1 Ų | 96.1 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -34.5 | 176.9 | -170.2 | 152.1 | 0 | 0 | 0 | 112 | G717 E718 K725 | G717-L721 VanDerWaalsContact O-CB 3.29Å; G717-L721 WeakPolarHBondContact O-CB 3.1Å; G717-L721 PolarHBondContact O-N 2.94Å; E718-L721 PolarHBondContact O-N 3.06Å; L721-K725 HydrophobicContact CD2-CD 3.86Å; L721-K725 HydrophobicContact CD2-CG 4.42Å; L721-K725 WeakPolarHBondContact O-CB 3.29Å; L721-K725 WeakPolarHBondContact O-CG 3.36Å; L721-K725 PolarHBondContact O-N 2.94Å; L721-K725 VanDerWaalsContact O-N 3.09Å |
| 722 | V | 92.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 96.1 Ų | 96.1 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 170.6 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | E718 A719 E720 K725 Q726 | E718-V722 WeakPolarHBondContact O-CG2 3.35Å; E718-V722 PolarHBondContact O-N 3.13Å; A719-V722 PolarHBondContact O-N 3.09Å; E720-V722 VanDerWaalsContact C-N 3.32Å; E720-V722 PolarHBondContact O-N 2.94Å; V722-K725 PolarHBondContact O-N 3.2Å; V722-Q726 WeakPolarHBondContact O-CG 3.08Å; V722-Q726 PolarHBondContact O-N 2.81Å |
| 723 | R | 94.7 | Very high | 92.7 | Very high | 143 Ų | 143 | 91.3 Ų | 91.3 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.6 | -50.5 | 176.8 | -169.8 | 175.6 | 74.2 | 107.6 | 1.3 | 111.6 | A719 E720 K725 Q726 E727 | A719-R723 PolarHBondContact O-N 2.97Å; E720-R723 VanDerWaalsContact CD-NH2 3.3Å; E720-R723 WeakPolarHBondContact O-CB 3.27Å; E720-R723 PolarHBondContact O-N 2.97Å; E720-R723 VanDerWaalsContact O-N 3.17Å; E720-R723 IonicContact OE1-CZ 2.69Å; E720-R723 IonicContact OE1-NE 3.73Å; E720-R723 IonicContact OE1-NH2 3.76Å; E720-R723 PolarHBondContact OE1-NH2 2.83Å; E720-R723 IonicContact OE2-CZ 3.95Å; E720-R723 VanDerWaalsContact OE2-CZ 3.31Å; E720-R723 IonicContact OE2-NE 2.69Å; E720-R723 PolarHBondContact OE2-NE 2.94Å; E720-R723 IonicContact OE2-NH2 2.63Å; E720-R723 PolarHBondContact OE2-NH2 2.87Å; E720-R723 VanDerWaalsContact OE2-NH2 3.07Å; R723-K725 PolarHBondContact O-N 2.89Å; R723-Q726 PolarHBondContact O-N 2.94Å; R723-E727 PolarHBondContact O-N 2.81Å |
| 724 | L | 93.2 | Very high | 92.7 | Very high | 99 Ų | 99 | 88.1 Ų | 88.1 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 179.1 | -67.8 | 171 | 0 | 0 | 0 | 112.9 | E720 E727 N728 | E720-L724 HydrophobicContact CG-CD1 4.18Å; E720-L724 WeakPolarHBondContact O-CG 3.44Å; E720-L724 PolarHBondContact O-N 3.32Å; L724-E727 PolarHBondContact O-N 3.25Å; L724-N728 PolarHBondContact O-N 3.02Å |
| 725 | K | 92.1 | Very high | 93 | Very high | 141 Ų | 141 | 91.7 Ų | 91.7 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 173 | -82.1 | -180 | 175.8 | 174.1 | 0 | 112.6 | L721 V722 R723 E727 A729 | L721-K725 HydrophobicContact CD2-CD 3.86Å; L721-K725 HydrophobicContact CD2-CG 4.42Å; L721-K725 WeakPolarHBondContact O-CB 3.29Å; L721-K725 WeakPolarHBondContact O-CG 3.36Å; L721-K725 PolarHBondContact O-N 2.94Å; L721-K725 VanDerWaalsContact O-N 3.09Å; V722-K725 PolarHBondContact O-N 3.2Å; R723-K725 PolarHBondContact O-N 2.89Å; K725-E727 VanDerWaalsContact C-N 3.32Å; K725-A729 VanDerWaalsContact O-CB 3.26Å; K725-A729 WeakPolarHBondContact O-CB 3.41Å; K725-A729 PolarHBondContact O-N 2.87Å |
| 726 | Q | 94.9 | Very high | 93 | Very high | 115 Ų | 115 | 93.9 Ų | 93.9 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.8 | -32.5 | 177.2 | -71.8 | 178.6 | 1 | 0 | 0 | 112.3 | V722 R723 R730 | V722-Q726 WeakPolarHBondContact O-CG 3.08Å; V722-Q726 PolarHBondContact O-N 2.81Å; R723-Q726 PolarHBondContact O-N 2.94Å; Q726-R730 WeakPolarHBondContact O-CG 3.36Å; Q726-R730 PolarHBondContact O-N 2.93Å; Q726-R730 PolarHBondContact O-NE 2.86Å; Q726-R730 VanDerWaalsContact O-NE 3.11Å |
| 727 | E | 93.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 96.6 Ų | 96.6 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.4 | -55.2 | 174.8 | -156.1 | 62 | -122.6 | 0 | 0 | 111.2 | R723 L724 K725 A729 R730 E731 | R723-E727 PolarHBondContact O-N 2.81Å; L724-E727 PolarHBondContact O-N 3.25Å; K725-E727 VanDerWaalsContact C-N 3.32Å; E727-A729 VanDerWaalsContact C-N 3.29Å; E727-A729 PolarHBondContact O-N 3.34Å; E727-R730 WeakPolarHBondContact O-CA 3.31Å; E727-R730 WeakPolarHBondContact O-CB 3.23Å; E727-R730 PolarHBondContact O-N 2.86Å; E727-R730 IonicContact OE1-CZ 3.2Å; E727-R730 IonicContact OE1-NH1 3.07Å; E727-R730 PolarHBondContact OE1-NH1 2.63Å; E727-R730 IonicContact OE1-NH2 3.17Å; E727-R730 IonicContact OE2-CZ 2.81Å; E727-R730 IonicContact OE2-NH1 2.8Å; E727-R730 PolarHBondContact OE2-NH1 2.83Å; E727-R730 VanDerWaalsContact OE2-NH1 3.13Å; E727-R730 IonicContact OE2-NH2 2.73Å; E727-R730 PolarHBondContact OE2-NH2 3.01Å; E727-E731 PolarHBondContact O-N 3.19Å |
| 728 | N | 90.5 | Very high | 93.1 | Very high | 88 Ų | 88 | 99.4 Ų | 99.4 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 179.9 | -170.1 | 15.2 | 0 | 0 | 0 | 112.3 | L724 R730 E731 L732 | L724-N728 PolarHBondContact O-N 3.02Å; N728-R730 VanDerWaalsContact C-N 3.32Å; N728-R730 PolarHBondContact O-N 2.93Å; N728-E731 PolarHBondContact O-N 2.9Å; N728-L732 WeakPolarHBondContact O-CB 3.5Å; N728-L732 VanDerWaalsContact O-CG 3.3Å; N728-L732 WeakPolarHBondContact O-CG 3.27Å; N728-L732 PolarHBondContact O-N 2.79Å |
| 729 | A | 93 | Very high | 93.2 | Very high | 60 Ų | 60 | 98.5 Ų | 98.5 | 50% | 0.496 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | K725 E727 E733 | K725-A729 VanDerWaalsContact O-CB 3.26Å; K725-A729 WeakPolarHBondContact O-CB 3.41Å; K725-A729 PolarHBondContact O-N 2.87Å; E727-A729 VanDerWaalsContact C-N 3.29Å; E727-A729 PolarHBondContact O-N 3.34Å; A729-E733 PolarHBondContact O-N 2.75Å |
| 730 | R | 94.5 | Very high | 93.2 | Very high | 124 Ų | 124 | 99.6 Ų | 99.6 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.3 | -41.9 | 174.9 | -78 | -179.5 | -78.7 | 105.1 | -1.7 | 111.5 | Q726 E727 N728 L732 E733 V734 | Q726-R730 WeakPolarHBondContact O-CG 3.36Å; Q726-R730 PolarHBondContact O-N 2.93Å; Q726-R730 PolarHBondContact O-NE 2.86Å; Q726-R730 VanDerWaalsContact O-NE 3.11Å; E727-R730 WeakPolarHBondContact O-CA 3.31Å; E727-R730 WeakPolarHBondContact O-CB 3.23Å; E727-R730 PolarHBondContact O-N 2.86Å; E727-R730 IonicContact OE1-CZ 3.2Å; E727-R730 IonicContact OE1-NH1 3.07Å; E727-R730 PolarHBondContact OE1-NH1 2.63Å; E727-R730 IonicContact OE1-NH2 3.17Å; E727-R730 IonicContact OE2-CZ 2.81Å; E727-R730 IonicContact OE2-NH1 2.8Å; E727-R730 PolarHBondContact OE2-NH1 2.83Å; E727-R730 VanDerWaalsContact OE2-NH1 3.13Å; E727-R730 IonicContact OE2-NH2 2.73Å; E727-R730 PolarHBondContact OE2-NH2 3.01Å; N728-R730 VanDerWaalsContact C-N 3.32Å; N728-R730 PolarHBondContact O-N 2.93Å; R730-L732 PolarHBondContact O-N 3.49Å; R730-E733 PolarHBondContact O-N 2.87Å; R730-V734 WeakPolarHBondContact O-CG2 3.27Å; R730-V734 PolarHBondContact O-N 3.23Å; R730-V734 VanDerWaalsContact O-N 3.1Å |
| 731 | E | 93.1 | Very high | 93.3 | Very high | 81 Ų | 81 | 102.4 Ų | 102.4 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 173.2 | -72.3 | -171 | -148.1 | 0 | 0 | 112.7 | E727 N728 E733 V734 R735 | E727-E731 PolarHBondContact O-N 3.19Å; N728-E731 PolarHBondContact O-N 2.9Å; E731-E733 PolarHBondContact O-N 2.63Å; E731-V734 PolarHBondContact O-N 2.81Å; E731-R735 WeakPolarHBondContact O-CG 3.23Å; E731-R735 PolarHBondContact O-N 2.67Å; E731-R735 IonicContact OE2-CZ 2.68Å; E731-R735 IonicContact OE2-NH1 3.88Å; E731-R735 PolarHBondContact OE2-NH1 3.06Å; E731-R735 IonicContact OE2-NH2 3.59Å; E731-R735 PolarHBondContact OE2-NH2 3.39Å |
| 732 | L | 90.9 | Very high | 93.6 | Very high | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | -178.9 | -74.1 | 169.7 | 0 | 0 | 0 | 112.5 | N728 R730 V734 R736 | N728-L732 WeakPolarHBondContact O-CB 3.5Å; N728-L732 VanDerWaalsContact O-CG 3.3Å; N728-L732 WeakPolarHBondContact O-CG 3.27Å; N728-L732 PolarHBondContact O-N 2.79Å; R730-L732 PolarHBondContact O-N 3.49Å; L732-V734 VanDerWaalsContact C-N 3.34Å; L732-R736 WeakPolarHBondContact O-CB 3.32Å; L732-R736 PolarHBondContact O-N 3.26Å |
| 733 | E | 93.7 | Very high | 93.4 | Very high | 66 Ų | 66 | 103 Ų | 103 | 31% | 0.308 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74 | -23.2 | 176.6 | 177.2 | 61.1 | -171.3 | 0 | 0 | 112.7 | A729 R730 E731 R736 K737 | A729-E733 PolarHBondContact O-N 2.75Å; R730-E733 PolarHBondContact O-N 2.87Å; E731-E733 PolarHBondContact O-N 2.63Å; E733-R736 IonicContact OE1-NH1 3.07Å; E733-R736 IonicContact OE2-CZ 2.61Å; E733-R736 IonicContact OE2-NH1 2.71Å; E733-R736 PolarHBondContact OE2-NH1 3.03Å; E733-K737 WeakPolarHBondContact O-CD 3.41Å; E733-K737 WeakPolarHBondContact O-CG 3.44Å; E733-K737 PolarHBondContact O-N 3.13Å; E733-K737 WeakPolarHBondContact OE1-CE 3.46Å; E733-K737 IonicContact OE1-NZ 3.7Å; E733-K737 PolarHBondContact OE1-NZ 2.9Å |
| 734 | V | 94.7 | Very high | 93.4 | Very high | 74 Ų | 74 | 101 Ų | 101 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.4 | -55.7 | 167.2 | 170 | 0 | 0 | 0 | 0 | 110.3 | R730 E731 L732 R736 K737 E738 | R730-V734 WeakPolarHBondContact O-CG2 3.27Å; R730-V734 PolarHBondContact O-N 3.23Å; R730-V734 VanDerWaalsContact O-N 3.1Å; E731-V734 PolarHBondContact O-N 2.81Å; L732-V734 VanDerWaalsContact C-N 3.34Å; V734-R736 PolarHBondContact O-N 2.83Å; V734-K737 WeakPolarHBondContact O-CA 3.47Å; V734-K737 WeakPolarHBondContact O-CB 3.44Å; V734-K737 PolarHBondContact O-N 2.89Å; V734-E738 HydrophobicContact CG1-CG 4.47Å; V734-E738 WeakPolarHBondContact CG1-OE1 3.09Å; V734-E738 PolarHBondContact O-N 3.34Å |
| 735 | R | 95.1 | Very high | 93.5 | Very high | 122 Ų | 122 | 99.5 Ų | 99.5 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.3 | -38.4 | 178.3 | -69.4 | -178.8 | -177.4 | 108.8 | 10.5 | 112.4 | E731 K737 E738 L739 | E731-R735 WeakPolarHBondContact O-CG 3.23Å; E731-R735 PolarHBondContact O-N 2.67Å; E731-R735 IonicContact OE2-CZ 2.68Å; E731-R735 IonicContact OE2-NH1 3.88Å; E731-R735 PolarHBondContact OE2-NH1 3.06Å; E731-R735 IonicContact OE2-NH2 3.59Å; E731-R735 PolarHBondContact OE2-NH2 3.39Å; R735-K737 PolarHBondContact O-N 3.15Å; R735-E738 WeakPolarHBondContact CA-OE2 3.14Å; R735-E738 PolarHBondContact O-N 2.8Å; R735-L739 WeakPolarHBondContact O-CB 3.43Å; R735-L739 WeakPolarHBondContact O-CG 3.49Å; R735-L739 PolarHBondContact O-N 2.94Å |
| 736 | R | 91.9 | Very high | 93.5 | Very high | 147 Ų | 147 | 98.9 Ų | 98.9 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -35.9 | 175.2 | -179.6 | 173.5 | 172.7 | -111.8 | -0 | 113.1 | L732 E733 V734 N740 | L732-R736 WeakPolarHBondContact O-CB 3.32Å; L732-R736 PolarHBondContact O-N 3.26Å; E733-R736 IonicContact OE1-NH1 3.07Å; E733-R736 IonicContact OE2-CZ 2.61Å; E733-R736 IonicContact OE2-NH1 2.71Å; E733-R736 PolarHBondContact OE2-NH1 3.03Å; V734-R736 PolarHBondContact O-N 2.83Å; R736-N740 WeakPolarHBondContact O-CB 3.48Å; R736-N740 PolarHBondContact O-N 3.21Å; R736-N740 VanDerWaalsContact O-N 3.13Å; R736-N740 PolarHBondContact O-ND2 3.33Å |
| 737 | K | 95.4 | Very high | 93.4 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 52% | 0.517 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.3 | -41.2 | 174.8 | -77.7 | 167.3 | 179.5 | 142.1 | 0 | 111.7 | E733 V734 R735 N740 Q741 | E733-K737 WeakPolarHBondContact O-CD 3.41Å; E733-K737 WeakPolarHBondContact O-CG 3.44Å; E733-K737 PolarHBondContact O-N 3.13Å; E733-K737 WeakPolarHBondContact OE1-CE 3.46Å; E733-K737 IonicContact OE1-NZ 3.7Å; E733-K737 PolarHBondContact OE1-NZ 2.9Å; V734-K737 WeakPolarHBondContact O-CA 3.47Å; V734-K737 WeakPolarHBondContact O-CB 3.44Å; V734-K737 PolarHBondContact O-N 2.89Å; R735-K737 PolarHBondContact O-N 3.15Å; K737-N740 PolarHBondContact O-N 3.18Å; K737-Q741 WeakPolarHBondContact O-CB 3.36Å; K737-Q741 PolarHBondContact O-N 2.75Å |
| 738 | E | 94.6 | Very high | 93.5 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 177 | -66.9 | 166.7 | 159.6 | 0 | 0 | 111.2 | V734 R735 N740 Q741 Q742 | V734-E738 HydrophobicContact CG1-CG 4.47Å; V734-E738 WeakPolarHBondContact CG1-OE1 3.09Å; V734-E738 PolarHBondContact O-N 3.34Å; R735-E738 WeakPolarHBondContact CA-OE2 3.14Å; R735-E738 PolarHBondContact O-N 2.8Å; E738-N740 PolarHBondContact O-N 3.02Å; E738-Q741 PolarHBondContact O-N 2.83Å; E738-Q741 VanDerWaalsContact O-N 3.14Å; E738-Q742 WeakPolarHBondContact O-CG 3.35Å; E738-Q742 PolarHBondContact O-N 3.46Å |
| 739 | L | 92.9 | Very high | 93.7 | Very high | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.9 | -72 | 168.6 | 0 | 0 | 0 | 112.6 | R735 Q741 Q742 S743 | R735-L739 WeakPolarHBondContact O-CB 3.43Å; R735-L739 WeakPolarHBondContact O-CG 3.49Å; R735-L739 PolarHBondContact O-N 2.94Å; L739-Q741 VanDerWaalsContact C-N 3.32Å; L739-Q741 PolarHBondContact O-N 2.79Å; L739-Q742 PolarHBondContact O-N 3.24Å; L739-S743 WeakPolarHBondContact O-CB 3.34Å; L739-S743 PolarHBondContact O-N 2.98Å |
| 740 | N | 93.7 | Very high | 93.7 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 174.6 | -78.5 | -29.8 | 0 | 0 | 0 | 112 | R736 K737 E738 Q744 | R736-N740 WeakPolarHBondContact O-CB 3.48Å; R736-N740 PolarHBondContact O-N 3.21Å; R736-N740 VanDerWaalsContact O-N 3.13Å; R736-N740 PolarHBondContact O-ND2 3.33Å; K737-N740 PolarHBondContact O-N 3.18Å; E738-N740 PolarHBondContact O-N 3.02Å; N740-Q744 WeakPolarHBondContact O-CG 2.96Å; N740-Q744 PolarHBondContact O-N 2.98Å |
| 741 | Q | 95.6 | Very high | 93.6 | Very high | 133 Ų | 133 | 100 Ų | 100 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.9 | -43.6 | 177.6 | -172.5 | 173.9 | 8 | 0 | 0 | 111.5 | K737 E738 L739 Q744 V745 | K737-Q741 WeakPolarHBondContact O-CB 3.36Å; K737-Q741 PolarHBondContact O-N 2.75Å; E738-Q741 PolarHBondContact O-N 2.83Å; E738-Q741 VanDerWaalsContact O-N 3.14Å; L739-Q741 VanDerWaalsContact C-N 3.32Å; L739-Q741 PolarHBondContact O-N 2.79Å; Q741-Q744 PolarHBondContact O-N 2.74Å; Q741-V745 WeakPolarHBondContact O-CG2 3.45Å; Q741-V745 PolarHBondContact O-N 3.07Å |
| 742 | Q | 94.4 | Very high | 93.7 | Very high | 124 Ų | 124 | 99.4 Ų | 99.4 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.4 | -49.2 | 174.5 | -72.1 | 171.2 | -8.7 | 0 | 0 | 111.3 | E738 L739 Q744 V745 Q746 | E738-Q742 WeakPolarHBondContact O-CG 3.35Å; E738-Q742 PolarHBondContact O-N 3.46Å; L739-Q742 PolarHBondContact O-N 3.24Å; Q742-Q744 VanDerWaalsContact C-N 3.34Å; Q742-Q744 PolarHBondContact O-N 3.41Å; Q742-V745 PolarHBondContact O-N 2.67Å; Q742-V745 VanDerWaalsContact O-N 3.07Å; Q742-Q746 PolarHBondContact O-N 3.01Å |
| 743 | S | 89.9 | Confident | 93.8 | Very high | 56 Ų | 56 | 100.4 Ų | 100.4 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | L739 V745 Q746 I747 | L739-S743 WeakPolarHBondContact O-CB 3.34Å; L739-S743 PolarHBondContact O-N 2.98Å; S743-V745 VanDerWaalsContact C-N 3.33Å; S743-V745 PolarHBondContact O-N 3.26Å; S743-Q746 PolarHBondContact O-N 2.81Å; S743-I747 VanDerWaalsContact O-CG1 3.27Å; S743-I747 WeakPolarHBondContact O-CG1 3.27Å; S743-I747 PolarHBondContact O-N 3.45Å |
| 744 | Q | 94.3 | Very high | 93.6 | Very high | 102 Ų | 102 | 104 Ų | 104 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -31 | 175.3 | -75.2 | -175.4 | 19.4 | 0 | 0 | 113.9 | N740 Q741 Q742 R748 | N740-Q744 WeakPolarHBondContact O-CG 2.96Å; N740-Q744 PolarHBondContact O-N 2.98Å; Q741-Q744 PolarHBondContact O-N 2.74Å; Q742-Q744 VanDerWaalsContact C-N 3.34Å; Q742-Q744 PolarHBondContact O-N 3.41Å; Q744-R748 VanDerWaalsContact C-NH1 3.34Å; Q744-R748 VanDerWaalsContact O-CG 3.28Å; Q744-R748 WeakPolarHBondContact O-CG 3.36Å; Q744-R748 PolarHBondContact O-N 2.91Å; Q744-R748 PolarHBondContact O-NH1 2.99Å; Q744-R748 VanDerWaalsContact O-NH1 3.12Å |
| 745 | V | 95 | Very high | 93.6 | Very high | 67 Ų | 67 | 106 Ų | 106 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.8 | -51.4 | 173.6 | 171.1 | 0 | 0 | 0 | 0 | 109.4 | Q741 Q742 S743 I747 R748 D749 | Q741-V745 WeakPolarHBondContact O-CG2 3.45Å; Q741-V745 PolarHBondContact O-N 3.07Å; Q742-V745 PolarHBondContact O-N 2.67Å; Q742-V745 VanDerWaalsContact O-N 3.07Å; S743-V745 VanDerWaalsContact C-N 3.33Å; S743-V745 PolarHBondContact O-N 3.26Å; V745-I747 VanDerWaalsContact C-N 3.28Å; V745-I747 PolarHBondContact O-N 2.9Å; V745-R748 WeakPolarHBondContact O-CB 3.43Å; V745-R748 PolarHBondContact O-N 2.98Å; V745-D749 WeakPolarHBondContact CG1-OD2 3.38Å; V745-D749 PolarHBondContact O-N 3.05Å |
| 746 | Q | 93.4 | Very high | 93.5 | Very high | 128 Ų | 128 | 105 Ų | 105 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.6 | -39.1 | 179.1 | -165.7 | 179.9 | 33.9 | 0 | 0 | 112.8 | Q742 S743 D749 L750 | Q742-Q746 PolarHBondContact O-N 3.01Å; S743-Q746 PolarHBondContact O-N 2.81Å; Q746-D749 PolarHBondContact O-N 3.32Å; Q746-L750 HydrophobicContact CG-CD1 4.33Å; Q746-L750 WeakPolarHBondContact O-CB 3.26Å; Q746-L750 VanDerWaalsContact O-CG 3.31Å; Q746-L750 WeakPolarHBondContact O-CG 3.26Å; Q746-L750 PolarHBondContact O-N 2.81Å |
| 747 | I | 92.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 103.1 Ų | 103.1 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174.5 | -69.7 | 164.5 | 0 | 0 | 0 | 111.5 | S743 V745 D749 L750 E751 | S743-I747 VanDerWaalsContact O-CG1 3.27Å; S743-I747 WeakPolarHBondContact O-CG1 3.27Å; S743-I747 PolarHBondContact O-N 3.45Å; V745-I747 VanDerWaalsContact C-N 3.28Å; V745-I747 PolarHBondContact O-N 2.9Å; I747-D749 VanDerWaalsContact C-N 3.32Å; I747-D749 PolarHBondContact O-N 2.85Å; I747-L750 PolarHBondContact O-N 2.81Å; I747-E751 WeakPolarHBondContact O-CB 3.47Å; I747-E751 WeakPolarHBondContact O-CG 3.32Å; I747-E751 PolarHBondContact O-N 2.88Å |
| 748 | R | 94.6 | Very high | 93.2 | Very high | 123 Ų | 123 | 104 Ų | 104 | 46% | 0.464 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 177.9 | -70.1 | 173.1 | -164.8 | 110.9 | 2.3 | 112.3 | Q744 V745 S752 | Q744-R748 VanDerWaalsContact C-NH1 3.34Å; Q744-R748 VanDerWaalsContact O-CG 3.28Å; Q744-R748 WeakPolarHBondContact O-CG 3.36Å; Q744-R748 PolarHBondContact O-N 2.91Å; Q744-R748 PolarHBondContact O-NH1 2.99Å; Q744-R748 VanDerWaalsContact O-NH1 3.12Å; V745-R748 WeakPolarHBondContact O-CB 3.43Å; V745-R748 PolarHBondContact O-N 2.98Å; R748-S752 WeakPolarHBondContact O-CB 3.06Å; R748-S752 PolarHBondContact O-N 2.86Å; R748-S752 PolarHBondContact O-OG 3.44Å |
| 749 | D | 93.7 | Very high | 93.2 | Very high | 98 Ų | 98 | 106 Ų | 106 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.9 | -46.5 | 178.2 | -64.9 | -26.4 | 0 | 0 | 0 | 110.9 | V745 Q746 I747 S752 Q753 | V745-D749 WeakPolarHBondContact CG1-OD2 3.38Å; V745-D749 PolarHBondContact O-N 3.05Å; Q746-D749 PolarHBondContact O-N 3.32Å; I747-D749 VanDerWaalsContact C-N 3.32Å; I747-D749 PolarHBondContact O-N 2.85Å; D749-S752 WeakPolarHBondContact O-CB 3.44Å; D749-S752 PolarHBondContact O-N 3.07Å; D749-S752 VanDerWaalsContact O-N 3.11Å; D749-Q753 PolarHBondContact O-N 2.69Å |
| 750 | L | 93.1 | Very high | 93.2 | Very high | 93 Ų | 93 | 103.9 Ų | 103.9 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 174.1 | -71.6 | 171.4 | 0 | 0 | 0 | 112.3 | Q746 I747 S752 Q753 M754 | Q746-L750 HydrophobicContact CG-CD1 4.33Å; Q746-L750 WeakPolarHBondContact O-CB 3.26Å; Q746-L750 VanDerWaalsContact O-CG 3.31Å; Q746-L750 WeakPolarHBondContact O-CG 3.26Å; Q746-L750 PolarHBondContact O-N 2.81Å; I747-L750 PolarHBondContact O-N 2.81Å; L750-S752 VanDerWaalsContact C-N 3.27Å; L750-S752 PolarHBondContact O-N 2.81Å; L750-Q753 PolarHBondContact O-N 3.12Å; L750-M754 WeakPolarHBondContact O-CG 3.18Å; L750-M754 PolarHBondContact O-N 3.47Å |
| 751 | E | 93.9 | Very high | 93 | Very high | 91 Ų | 91 | 102.3 Ų | 102.3 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.2 | -41.5 | 171.6 | -89.3 | -168.5 | -137.3 | 0 | 0 | 112.1 | I747 M754 K755 | I747-E751 WeakPolarHBondContact O-CB 3.47Å; I747-E751 WeakPolarHBondContact O-CG 3.32Å; I747-E751 PolarHBondContact O-N 2.88Å; E751-M754 PolarHBondContact O-N 3.5Å; E751-K755 WeakPolarHBondContact O-CB 2.92Å; E751-K755 VanDerWaalsContact O-CD 3.28Å; E751-K755 WeakPolarHBondContact O-CD 3.45Å; E751-K755 WeakPolarHBondContact O-CG 3.47Å; E751-K755 PolarHBondContact O-N 3.18Å; E751-K755 IonicContact OE2-NZ 3.27Å; E751-K755 PolarHBondContact OE2-NZ 3.29Å |
| 752 | S | 93.5 | Very high | 92.9 | Very high | 69 Ų | 69 | 100.2 Ų | 100.2 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.6 | -39.3 | -179.1 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | R748 D749 L750 K755 L756 | R748-S752 WeakPolarHBondContact O-CB 3.06Å; R748-S752 PolarHBondContact O-N 2.86Å; R748-S752 PolarHBondContact O-OG 3.44Å; D749-S752 WeakPolarHBondContact O-CB 3.44Å; D749-S752 PolarHBondContact O-N 3.07Å; D749-S752 VanDerWaalsContact O-N 3.11Å; L750-S752 VanDerWaalsContact C-N 3.27Å; L750-S752 PolarHBondContact O-N 2.81Å; S752-K755 PolarHBondContact O-N 2.8Å; S752-L756 PolarHBondContact O-N 3.25Å |
| 753 | Q | 94 | Very high | 92.8 | Very high | 121 Ų | 121 | 99 Ų | 99 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 171.9 | -169.1 | 177 | 10.3 | 0 | 0 | 111.7 | D749 L750 K755 L756 E757 | D749-Q753 PolarHBondContact O-N 2.69Å; L750-Q753 PolarHBondContact O-N 3.12Å; Q753-K755 VanDerWaalsContact C-N 3.33Å; Q753-K755 PolarHBondContact O-N 3.01Å; Q753-L756 WeakPolarHBondContact O-CB 3.2Å; Q753-L756 PolarHBondContact O-N 2.71Å; Q753-L756 VanDerWaalsContact O-N 3.16Å; Q753-E757 PolarHBondContact O-N 3.23Å |
| 754 | M | 89.4 | Confident | 92.8 | Very high | 142 Ų | 142 | 104 Ų | 104 | 70% | 0.7 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.8 | -38.1 | 174.5 | -74.3 | -175.1 | 76.3 | 0 | 0 | 112.6 | L750 E751 L756 E757 K758 | L750-M754 WeakPolarHBondContact O-CG 3.18Å; L750-M754 PolarHBondContact O-N 3.47Å; E751-M754 PolarHBondContact O-N 3.5Å; M754-L756 VanDerWaalsContact C-N 3.32Å; M754-E757 PolarHBondContact O-N 3.38Å; M754-K758 WeakPolarHBondContact O-CB 3.23Å; M754-K758 PolarHBondContact O-N 3.03Å |
| 755 | K | 93.8 | Very high | 92.8 | Very high | 115 Ų | 115 | 105 Ų | 105 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -32.5 | 175.3 | -71.7 | 159.3 | -164.3 | 167 | 0 | 112 | E751 S752 Q753 K759 | E751-K755 WeakPolarHBondContact O-CB 2.92Å; E751-K755 VanDerWaalsContact O-CD 3.28Å; E751-K755 WeakPolarHBondContact O-CD 3.45Å; E751-K755 WeakPolarHBondContact O-CG 3.47Å; E751-K755 PolarHBondContact O-N 3.18Å; E751-K755 IonicContact OE2-NZ 3.27Å; E751-K755 PolarHBondContact OE2-NZ 3.29Å; S752-K755 PolarHBondContact O-N 2.8Å; Q753-K755 VanDerWaalsContact C-N 3.33Å; Q753-K755 PolarHBondContact O-N 3.01Å; K755-K759 WeakPolarHBondContact O-CG 3.46Å; K755-K759 PolarHBondContact O-N 3.17Å |
| 756 | L | 93.1 | Very high | 92.7 | Very high | 101 Ų | 101 | 105.7 Ų | 105.7 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.6 | -48.9 | 173.3 | -176.3 | 61.3 | 0 | 0 | 0 | 111.4 | S752 Q753 M754 K758 K759 N760 | S752-L756 PolarHBondContact O-N 3.25Å; Q753-L756 WeakPolarHBondContact O-CB 3.2Å; Q753-L756 PolarHBondContact O-N 2.71Å; Q753-L756 VanDerWaalsContact O-N 3.16Å; M754-L756 VanDerWaalsContact C-N 3.32Å; L756-K758 VanDerWaalsContact C-N 3.3Å; L756-K758 PolarHBondContact O-N 2.95Å; L756-K759 WeakPolarHBondContact O-CB 3.34Å; L756-K759 PolarHBondContact O-N 3.34Å; L756-K759 VanDerWaalsContact O-N 3.1Å; L756-N760 PolarHBondContact O-N 3.47Å |
| 757 | E | 89.4 | Confident | 92.6 | Very high | 108 Ų | 108 | 102.2 Ų | 102.2 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 177.8 | -77.7 | -53 | 133.5 | 0 | 0 | 113 | Q753 M754 N760 S761 | Q753-E757 PolarHBondContact O-N 3.23Å; M754-E757 PolarHBondContact O-N 3.38Å; E757-N760 PolarHBondContact O-N 2.7Å; E757-N760 PolarHBondContact OE1-ND2 3.18Å; E757-N760 VanDerWaalsContact OE1-ND2 3.14Å; E757-S761 WeakPolarHBondContact O-CB 3.37Å; E757-S761 PolarHBondContact O-N 3.22Å |
| 758 | K | 93.4 | Very high | 92.5 | Very high | 136 Ų | 136 | 102.5 Ų | 102.5 | 59% | 0.591 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 171.7 | -177.1 | 171.3 | 174.2 | 177.5 | 0 | 111.7 | M754 L756 S761 E762 | M754-K758 WeakPolarHBondContact O-CB 3.23Å; M754-K758 PolarHBondContact O-N 3.03Å; L756-K758 VanDerWaalsContact C-N 3.3Å; L756-K758 PolarHBondContact O-N 2.95Å; K758-S761 WeakPolarHBondContact O-CB 3.1Å; K758-S761 PolarHBondContact O-N 2.98Å; K758-E762 WeakPolarHBondContact CE-OE1 3.44Å; K758-E762 WeakPolarHBondContact CG-OE1 3.45Å; K758-E762 WeakPolarHBondContact O-CG 3.3Å; K758-E762 PolarHBondContact O-N 2.82Å |
| 759 | K | 93.8 | Very high | 92.4 | Very high | 140 Ų | 140 | 101.4 Ų | 101.4 | 61% | 0.609 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64 | -39 | 175.2 | -73 | 176.4 | 177.8 | -179 | 0 | 112.4 | K755 L756 E762 H763 | K755-K759 WeakPolarHBondContact O-CG 3.46Å; K755-K759 PolarHBondContact O-N 3.17Å; L756-K759 WeakPolarHBondContact O-CB 3.34Å; L756-K759 PolarHBondContact O-N 3.34Å; L756-K759 VanDerWaalsContact O-N 3.1Å; K759-E762 PolarHBondContact O-N 3.03Å; K759-H763 PolarHBondContact O-N 2.81Å |
| 760 | N | 92.5 | Very high | 92.3 | Very high | 62 Ų | 62 | 101.4 Ų | 101.4 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 173.5 | -67 | -17 | 0 | 0 | 0 | 110.7 | L756 E757 E762 H763 W764 | L756-N760 PolarHBondContact O-N 3.47Å; E757-N760 PolarHBondContact O-N 2.7Å; E757-N760 PolarHBondContact OE1-ND2 3.18Å; E757-N760 VanDerWaalsContact OE1-ND2 3.14Å; N760-E762 VanDerWaalsContact C-N 3.34Å; N760-E762 PolarHBondContact O-N 3.36Å; N760-H763 PolarHBondContact O-N 2.74Å; N760-W764 PolarHBondContact O-N 2.75Å |
| 761 | S | 89.5 | Confident | 92.2 | Very high | 52 Ų | 52 | 104.2 Ų | 104.2 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.2 | -170.3 | 0 | 0 | 0 | 0 | 112.4 | E757 K758 K765 | E757-S761 WeakPolarHBondContact O-CB 3.37Å; E757-S761 PolarHBondContact O-N 3.22Å; K758-S761 WeakPolarHBondContact O-CB 3.1Å; K758-S761 PolarHBondContact O-N 2.98Å; S761-K765 WeakPolarHBondContact O-CD 3.27Å; S761-K765 VanDerWaalsContact O-CG 3.23Å; S761-K765 WeakPolarHBondContact O-CG 3.41Å; S761-K765 PolarHBondContact O-N 3.07Å; S761-K765 WeakPolarHBondContact OG-CE 3.38Å; S761-K765 PolarHBondContact OG-NZ 3.02Å |
| 762 | E | 93.8 | Very high | 92.2 | Very high | 90 Ų | 90 | 108.4 Ų | 108.4 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 176.5 | -74 | 164.6 | -179 | 0 | 0 | 111.7 | K758 K759 N760 W764 K765 S766 | K758-E762 WeakPolarHBondContact CE-OE1 3.44Å; K758-E762 WeakPolarHBondContact CG-OE1 3.45Å; K758-E762 WeakPolarHBondContact O-CG 3.3Å; K758-E762 PolarHBondContact O-N 2.82Å; K759-E762 PolarHBondContact O-N 3.03Å; N760-E762 VanDerWaalsContact C-N 3.34Å; N760-E762 PolarHBondContact O-N 3.36Å; E762-W764 PolarHBondContact O-N 2.85Å; E762-K765 PolarHBondContact O-N 3.43Å; E762-S766 PolarHBondContact O-N 2.92Å; E762-S766 PolarHBondContact O-OG 2.89Å |
| 763 | H | 93 | Very high | 92 | Very high | 99 Ų | 99 | 108.6 Ų | 108.6 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.6 | -48 | 174.2 | 178.5 | 74.2 | 0 | 0 | 0 | 112.3 | K759 N760 K765 S766 Q767 | K759-H763 PolarHBondContact O-N 2.81Å; N760-H763 PolarHBondContact O-N 2.74Å; H763-K765 VanDerWaalsContact C-N 3.32Å; H763-K765 PolarHBondContact O-N 3.28Å; H763-S766 PolarHBondContact O-N 2.74Å; H763-Q767 PolarHBondContact NE2-NE2 2.94Å; H763-Q767 WeakPolarHBondContact O-CG 3.45Å; H763-Q767 PolarHBondContact O-N 2.79Å |
| 764 | W | 89.5 | Confident | 91.9 | Very high | 161 Ų | 161 | 107 Ų | 107 | 61% | 0.61 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.4 | -32.1 | 178.6 | -71.1 | 120.4 | 0 | 0 | 0 | 112.9 | N760 E762 Q767 I768 | N760-W764 PolarHBondContact O-N 2.75Å; E762-W764 PolarHBondContact O-N 2.85Å; W764-Q767 HydrophobicContact CE3-CB 4.32Å; W764-Q767 HydrophobicContact CE3-CG 4.21Å; W764-Q767 HydrophobicContact CZ3-CG 4.49Å; W764-I768 WeakPolarHBondContact O-CD1 3.27Å; W764-I768 VanDerWaalsContact O-CG1 3.25Å; W764-I768 WeakPolarHBondContact O-CG1 3.29Å; W764-I768 PolarHBondContact O-N 3.03Å |
| 765 | K | 93.1 | Very high | 91.8 | Very high | 123 Ų | 123 | 107.1 Ų | 107.1 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 171.2 | -74.7 | 160.5 | -178.3 | 153.9 | 0 | 111.7 | S761 E762 H763 I768 V769 | S761-K765 WeakPolarHBondContact O-CD 3.27Å; S761-K765 VanDerWaalsContact O-CG 3.23Å; S761-K765 WeakPolarHBondContact O-CG 3.41Å; S761-K765 PolarHBondContact O-N 3.07Å; S761-K765 WeakPolarHBondContact OG-CE 3.38Å; S761-K765 PolarHBondContact OG-NZ 3.02Å; E762-K765 PolarHBondContact O-N 3.43Å; H763-K765 VanDerWaalsContact C-N 3.32Å; H763-K765 PolarHBondContact O-N 3.28Å; K765-I768 PolarHBondContact O-N 3.41Å; K765-V769 WeakPolarHBondContact O-CG2 3.3Å; K765-V769 PolarHBondContact O-N 2.96Å; K765-V769 VanDerWaalsContact O-N 3.09Å |
| 766 | S | 93 | Very high | 91.7 | Very high | 81 Ų | 81 | 104 Ų | 104 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 175.5 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | E762 H763 I768 V769 E770 | E762-S766 PolarHBondContact O-N 2.92Å; E762-S766 PolarHBondContact O-OG 2.89Å; H763-S766 PolarHBondContact O-N 2.74Å; S766-I768 PolarHBondContact O-N 2.62Å; S766-V769 PolarHBondContact O-N 3.3Å; S766-E770 PolarHBondContact O-N 3.09Å |
| 767 | Q | 91.9 | Very high | 91.5 | Very high | 55 Ų | 55 | 102.5 Ų | 102.5 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.2 | -49.4 | 172.1 | -74.7 | -89.9 | 10.9 | 0 | 0 | 111.5 | H763 W764 V769 E770 W771 | H763-Q767 PolarHBondContact NE2-NE2 2.94Å; H763-Q767 WeakPolarHBondContact O-CG 3.45Å; H763-Q767 PolarHBondContact O-N 2.79Å; W764-Q767 HydrophobicContact CE3-CB 4.32Å; W764-Q767 HydrophobicContact CE3-CG 4.21Å; W764-Q767 HydrophobicContact CZ3-CG 4.49Å; Q767-V769 VanDerWaalsContact C-N 3.27Å; Q767-V769 PolarHBondContact O-N 3.18Å; Q767-E770 PolarHBondContact O-N 2.85Å; Q767-E770 VanDerWaalsContact O-N 3.15Å; Q767-W771 PolarHBondContact O-N 3.45Å |
| 768 | I | 90.5 | Very high | 91.4 | Very high | 92 Ų | 92 | 102 Ų | 102 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 179.7 | -71.7 | 163.8 | 0 | 0 | 0 | 111.8 | W764 K765 S766 R772 | W764-I768 WeakPolarHBondContact O-CD1 3.27Å; W764-I768 VanDerWaalsContact O-CG1 3.25Å; W764-I768 WeakPolarHBondContact O-CG1 3.29Å; W764-I768 PolarHBondContact O-N 3.03Å; K765-I768 PolarHBondContact O-N 3.41Å; S766-I768 PolarHBondContact O-N 2.62Å; I768-R772 WeakPolarHBondContact O-CB 3.1Å; I768-R772 WeakPolarHBondContact O-CD 3.34Å; I768-R772 WeakPolarHBondContact O-CG 3.09Å; I768-R772 PolarHBondContact O-N 2.98Å |
| 769 | V | 92.6 | Very high | 91.2 | Very high | 100 Ų | 100 | 99.8 Ų | 99.8 | 61% | 0.606 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.3 | -43.9 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | K765 S766 Q767 R772 S773 | K765-V769 WeakPolarHBondContact O-CG2 3.3Å; K765-V769 PolarHBondContact O-N 2.96Å; K765-V769 VanDerWaalsContact O-N 3.09Å; S766-V769 PolarHBondContact O-N 3.3Å; Q767-V769 VanDerWaalsContact C-N 3.27Å; Q767-V769 PolarHBondContact O-N 3.18Å; V769-R772 PolarHBondContact O-N 2.88Å; V769-S773 PolarHBondContact O-N 2.73Å |
| 770 | E | 92.4 | Very high | 90.9 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 177.5 | -167.9 | -172.1 | 142.8 | 0 | 0 | 111.8 | S766 Q767 R772 S773 K774 | S766-E770 PolarHBondContact O-N 3.09Å; Q767-E770 PolarHBondContact O-N 2.85Å; Q767-E770 VanDerWaalsContact O-N 3.15Å; E770-R772 PolarHBondContact O-N 3.4Å; E770-S773 PolarHBondContact O-N 2.72Å; E770-K774 WeakPolarHBondContact O-CG 3.41Å; E770-K774 PolarHBondContact O-N 2.7Å; E770-K774 WeakPolarHBondContact OE1-CE 3.38Å; E770-K774 IonicContact OE1-NZ 2.6Å; E770-K774 PolarHBondContact OE1-NZ 3.22Å |
| 771 | W | 90.6 | Very high | 90.6 | Very high | 153 Ų | 153 | 101.9 Ų | 101.9 | 58% | 0.58 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -36.1 | 176.7 | -74.2 | 109.3 | 0 | 0 | 0 | 112.8 | Q767 K774 Y775 | Q767-W771 PolarHBondContact O-N 3.45Å; W771-K774 HydrophobicContact CE3-CD 4.09Å; W771-K774 HydrophobicContact CZ3-CD 4.23Å; W771-K774 PolarHBondContact O-N 3.38Å; W771-Y775 WeakPolarHBondContact O-CB 3.43Å; W771-Y775 PolarHBondContact O-N 2.92Å |
| 772 | R | 93.1 | Very high | 90.3 | Very high | 178 Ų | 178 | 103.3 Ų | 103.3 | 67% | 0.672 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 172.5 | -77.5 | 170.3 | 179.6 | -84.2 | 0.4 | 112.3 | I768 V769 E770 Y775 A776 | I768-R772 WeakPolarHBondContact O-CB 3.1Å; I768-R772 WeakPolarHBondContact O-CD 3.34Å; I768-R772 WeakPolarHBondContact O-CG 3.09Å; I768-R772 PolarHBondContact O-N 2.98Å; V769-R772 PolarHBondContact O-N 2.88Å; E770-R772 PolarHBondContact O-N 3.4Å; R772-Y775 PolarHBondContact O-N 3.28Å; R772-A776 PolarHBondContact O-N 3.09Å |
| 773 | S | 90.6 | Very high | 90 | Very high | 74 Ų | 74 | 103 Ų | 103 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 175.7 | -165.1 | 0 | 0 | 0 | 0 | 111.7 | V769 E770 Y775 A776 S777 | V769-S773 PolarHBondContact O-N 2.73Å; E770-S773 PolarHBondContact O-N 2.72Å; S773-Y775 VanDerWaalsContact C-N 3.35Å; S773-Y775 PolarHBondContact O-N 3.31Å; S773-A776 PolarHBondContact O-N 3.09Å; S773-S777 PolarHBondContact O-N 3.38Å; S773-S777 VanDerWaalsContact O-N 3.08Å; S773-S777 PolarHBondContact O-OG 3.43Å |
| 774 | K | 92 | Very high | 89.6 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 175.6 | -72.1 | 172.7 | -178.8 | 170.6 | 0 | 112.2 | E770 W771 L778 | E770-K774 WeakPolarHBondContact O-CG 3.41Å; E770-K774 PolarHBondContact O-N 2.7Å; E770-K774 WeakPolarHBondContact OE1-CE 3.38Å; E770-K774 IonicContact OE1-NZ 2.6Å; E770-K774 PolarHBondContact OE1-NZ 3.22Å; W771-K774 HydrophobicContact CE3-CD 4.09Å; W771-K774 HydrophobicContact CZ3-CD 4.23Å; W771-K774 PolarHBondContact O-N 3.38Å; K774-L778 WeakPolarHBondContact O-CG 3.44Å; K774-L778 PolarHBondContact O-N 2.94Å; K774-L778 VanDerWaalsContact O-N 3.17Å |
| 775 | Y | 87 | Confident | 89.4 | Confident | 144 Ų | 144 | 98 Ų | 98 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.8 | -47.9 | 174.8 | 178.9 | -85.1 | 0 | 0 | 0 | 111.4 | W771 R772 S773 S777 L778 E779 | W771-Y775 WeakPolarHBondContact O-CB 3.43Å; W771-Y775 PolarHBondContact O-N 2.92Å; R772-Y775 PolarHBondContact O-N 3.28Å; S773-Y775 VanDerWaalsContact C-N 3.35Å; S773-Y775 PolarHBondContact O-N 3.31Å; Y775-S777 PolarHBondContact O-N 2.87Å; Y775-L778 PolarHBondContact O-N 3.01Å; Y775-E779 HydrophobicContact CE1-CB 4.28Å; Y775-E779 VanDerWaalsContact CE1-CD 3.49Å; Y775-E779 HydrophobicContact CE1-CG 4.47Å; Y775-E779 VanDerWaalsContact CE1-OE1 3.24Å; Y775-E779 WeakPolarHBondContact CE1-OE1 3.33Å; Y775-E779 WeakPolarHBondContact O-CB 3.45Å; Y775-E779 PolarHBondContact O-N 2.94Å; Y775-E779 PolarHBondContact OH-OE1 3.23Å |
| 776 | A | 91.9 | Very high | 88.9 | Confident | 50 Ų | 50 | 99.3 Ų | 99.3 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R772 S773 E779 E780 | R772-A776 PolarHBondContact O-N 3.09Å; S773-A776 PolarHBondContact O-N 3.09Å; A776-E779 PolarHBondContact O-N 3.34Å; A776-E780 PolarHBondContact O-N 2.72Å |
| 777 | S | 89 | Confident | 88.4 | Confident | 69 Ų | 69 | 100.7 Ų | 100.7 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | S773 Y775 E779 E780 E781 | S773-S777 PolarHBondContact O-N 3.38Å; S773-S777 VanDerWaalsContact O-N 3.08Å; S773-S777 PolarHBondContact O-OG 3.43Å; Y775-S777 PolarHBondContact O-N 2.87Å; S777-E779 VanDerWaalsContact C-N 3.32Å; S777-E780 PolarHBondContact O-N 3.46Å; S777-E781 WeakPolarHBondContact O-CB 3.32Å; S777-E781 PolarHBondContact O-N 3.1Å |
| 778 | L | 87.3 | Confident | 88 | Confident | 98 Ų | 98 | 102.8 Ų | 102.8 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -30.6 | 174.9 | -71.5 | 168.9 | 0 | 0 | 0 | 112.5 | K774 Y775 N782 | K774-L778 WeakPolarHBondContact O-CG 3.44Å; K774-L778 PolarHBondContact O-N 2.94Å; K774-L778 VanDerWaalsContact O-N 3.17Å; Y775-L778 PolarHBondContact O-N 3.01Å; L778-N782 WeakPolarHBondContact O-CB 3.24Å; L778-N782 PolarHBondContact O-N 3.01Å; L778-N782 PolarHBondContact O-ND2 2.71Å |
| 779 | E | 88.2 | Confident | 87.4 | Confident | 90 Ų | 90 | 103.5 Ų | 103.5 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.6 | -39 | 174.7 | -167.3 | 164.7 | -109.5 | 0 | 0 | 111.5 | Y775 A776 S777 N782 N783 | Y775-E779 HydrophobicContact CE1-CB 4.28Å; Y775-E779 VanDerWaalsContact CE1-CD 3.49Å; Y775-E779 HydrophobicContact CE1-CG 4.47Å; Y775-E779 VanDerWaalsContact CE1-OE1 3.24Å; Y775-E779 WeakPolarHBondContact CE1-OE1 3.33Å; Y775-E779 WeakPolarHBondContact O-CB 3.45Å; Y775-E779 PolarHBondContact O-N 2.94Å; Y775-E779 PolarHBondContact OH-OE1 3.23Å; A776-E779 PolarHBondContact O-N 3.34Å; S777-E779 VanDerWaalsContact C-N 3.32Å; E779-N782 PolarHBondContact O-N 3.34Å; E779-N783 WeakPolarHBondContact O-CB 3.2Å; E779-N783 VanDerWaalsContact O-CG 3.28Å; E779-N783 PolarHBondContact O-N 3.31Å; E779-N783 PolarHBondContact O-ND2 3.34Å |
| 780 | E | 87.6 | Confident | 86.6 | Confident | 134 Ų | 134 | 103.1 Ų | 103.1 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 172.3 | -174.2 | 170.8 | -151.1 | 0 | 0 | 112.6 | A776 S777 N783 S784 | A776-E780 PolarHBondContact O-N 2.72Å; S777-E780 PolarHBondContact O-N 3.46Å; E780-N783 PolarHBondContact O-N 3.2Å; E780-S784 WeakPolarHBondContact O-CB 3.34Å; E780-S784 PolarHBondContact O-N 2.94Å; E780-S784 PolarHBondContact O-OG 3.03Å |
| 781 | E | 86.9 | Confident | 85.8 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 172.3 | -174.4 | 178.2 | -169.5 | 0 | 0 | 111.2 | S777 N783 S784 L785 | S777-E781 WeakPolarHBondContact O-CB 3.32Å; S777-E781 PolarHBondContact O-N 3.1Å; E781-N783 VanDerWaalsContact C-N 3.34Å; E781-N783 PolarHBondContact O-N 2.95Å; E781-S784 WeakPolarHBondContact O-CB 3.35Å; E781-S784 PolarHBondContact O-N 3.01Å; E781-L785 HydrophobicContact CG-CD1 4.25Å; E781-L785 WeakPolarHBondContact O-CG 3.44Å; E781-L785 PolarHBondContact O-N 3.43Å |
| 782 | N | 82.3 | Confident | 85 | Confident | 82 Ų | 82 | 101 Ų | 101 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 174.6 | -94.5 | -91.9 | 0 | 0 | 0 | 112.4 | L778 E779 L785 R786 | L778-N782 WeakPolarHBondContact O-CB 3.24Å; L778-N782 PolarHBondContact O-N 3.01Å; L778-N782 PolarHBondContact O-ND2 2.71Å; E779-N782 PolarHBondContact O-N 3.34Å; N782-L785 PolarHBondContact O-N 3.13Å; N782-R786 WeakPolarHBondContact O-CB 3.29Å; N782-R786 WeakPolarHBondContact O-CG 3.31Å; N782-R786 PolarHBondContact O-N 2.82Å |
| 783 | N | 86.6 | Confident | 83.7 | Confident | 82 Ų | 82 | 97 Ų | 97 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 177.3 | -76.3 | -38.3 | 0 | 0 | 0 | 111.9 | E779 E780 E781 R786 N787 | E779-N783 WeakPolarHBondContact O-CB 3.2Å; E779-N783 VanDerWaalsContact O-CG 3.28Å; E779-N783 PolarHBondContact O-N 3.31Å; E779-N783 PolarHBondContact O-ND2 3.34Å; E780-N783 PolarHBondContact O-N 3.2Å; E781-N783 VanDerWaalsContact C-N 3.34Å; E781-N783 PolarHBondContact O-N 2.95Å; N783-R786 PolarHBondContact O-N 2.97Å; N783-N787 WeakPolarHBondContact O-CB 3.4Å; N783-N787 PolarHBondContact O-N 3.1Å; N783-N787 PolarHBondContact O-ND2 3.4Å; N783-N787 VanDerWaalsContact O-ND2 3.17Å |
| 784 | S | 86.3 | Confident | 82.4 | Confident | 70 Ų | 70 | 100.4 Ų | 100.4 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 174.2 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | E780 E781 N787 E788 | E780-S784 WeakPolarHBondContact O-CB 3.34Å; E780-S784 PolarHBondContact O-N 2.94Å; E780-S784 PolarHBondContact O-OG 3.03Å; E781-S784 WeakPolarHBondContact O-CB 3.35Å; E781-S784 PolarHBondContact O-N 3.01Å; S784-N787 PolarHBondContact O-N 3.34Å; S784-E788 PolarHBondContact O-N 2.84Å |
| 785 | L | 84 | Confident | 81 | Confident | 86 Ų | 86 | 104 Ų | 104 | 45% | 0.45 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.3 | -69.9 | 168.7 | 0 | 0 | 0 | 112.1 | E781 N782 N787 E788 I789 | E781-L785 HydrophobicContact CG-CD1 4.25Å; E781-L785 WeakPolarHBondContact O-CG 3.44Å; E781-L785 PolarHBondContact O-N 3.43Å; N782-L785 PolarHBondContact O-N 3.13Å; L785-N787 VanDerWaalsContact C-N 3.33Å; L785-N787 PolarHBondContact O-N 3.14Å; L785-E788 PolarHBondContact O-N 3.21Å; L785-I789 VanDerWaalsContact O-CG1 3.3Å; L785-I789 WeakPolarHBondContact O-CG1 3.32Å; L785-I789 PolarHBondContact O-N 3.4Å |
| 786 | R | 83 | Confident | 79.7 | Confident | 151 Ų | 151 | 100.8 Ų | 100.8 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.6 | -42.2 | 173.6 | -75.2 | 167.7 | -180 | -106.6 | 1.8 | 111.6 | N782 N783 I789 N790 | N782-R786 WeakPolarHBondContact O-CB 3.29Å; N782-R786 WeakPolarHBondContact O-CG 3.31Å; N782-R786 PolarHBondContact O-N 2.82Å; N783-R786 PolarHBondContact O-N 2.97Å; R786-I789 PolarHBondContact O-N 3.46Å; R786-N790 WeakPolarHBondContact O-CB 3.32Å; R786-N790 VanDerWaalsContact O-CG 3.28Å; R786-N790 PolarHBondContact O-N 3.47Å; R786-N790 PolarHBondContact O-ND2 3.29Å |
| 787 | N | 82.9 | Confident | 78 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -38.6 | 176.6 | -75.7 | -28.9 | 0 | 0 | 0 | 112.4 | N783 S784 L785 N790 G791 | N783-N787 WeakPolarHBondContact O-CB 3.4Å; N783-N787 PolarHBondContact O-N 3.1Å; N783-N787 PolarHBondContact O-ND2 3.4Å; N783-N787 VanDerWaalsContact O-ND2 3.17Å; S784-N787 PolarHBondContact O-N 3.34Å; L785-N787 VanDerWaalsContact C-N 3.33Å; L785-N787 PolarHBondContact O-N 3.14Å; N787-N790 PolarHBondContact O-N 3.18Å; N787-G791 PolarHBondContact O-N 2.65Å |
| 788 | E | 83 | Confident | 76.3 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.1 | -151.9 | -149.7 | 143 | 0 | 0 | 111.8 | S784 L785 G791 R792 | S784-E788 PolarHBondContact O-N 2.84Å; L785-E788 PolarHBondContact O-N 3.21Å; E788-G791 PolarHBondContact O-N 3.05Å; E788-R792 WeakPolarHBondContact O-CG 3.44Å; E788-R792 PolarHBondContact O-N 2.94Å; E788-R792 IonicContact OE1-CZ 3.11Å; E788-R792 IonicContact OE1-NE 2.76Å; E788-R792 PolarHBondContact OE1-NE 3.08Å; E788-R792 IonicContact OE1-NH2 2.66Å; E788-R792 PolarHBondContact OE1-NH2 3.23Å; E788-R792 IonicContact OE2-NH2 3.93Å |
| 789 | I | 78.6 | Confident | 74.5 | Confident | 107 Ų | 107 | 108 Ų | 108 | 55% | 0.549 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 175.5 | -69.2 | 165.8 | 0 | 0 | 0 | 110.5 | L785 R786 G791 R792 L793 | L785-I789 VanDerWaalsContact O-CG1 3.3Å; L785-I789 WeakPolarHBondContact O-CG1 3.32Å; L785-I789 PolarHBondContact O-N 3.4Å; R786-I789 PolarHBondContact O-N 3.46Å; I789-G791 VanDerWaalsContact C-N 3.33Å; I789-G791 PolarHBondContact O-N 3.34Å; I789-R792 PolarHBondContact O-N 2.91Å; I789-L793 WeakPolarHBondContact O-CB 3.12Å; I789-L793 PolarHBondContact O-N 2.85Å |
| 790 | N | 76.4 | Confident | 72.5 | Confident | 93 Ų | 93 | 112.1 Ų | 112.1 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.7 | -38.7 | 175.3 | -76 | -25.3 | 0 | 0 | 0 | 112.3 | R786 N787 L793 K794 | R786-N790 WeakPolarHBondContact O-CB 3.32Å; R786-N790 VanDerWaalsContact O-CG 3.28Å; R786-N790 PolarHBondContact O-N 3.47Å; R786-N790 PolarHBondContact O-ND2 3.29Å; N787-N790 PolarHBondContact O-N 3.18Å; N790-L793 PolarHBondContact O-N 3.15Å; N790-K794 WeakPolarHBondContact O-CB 3.37Å; N790-K794 PolarHBondContact O-N 3.5Å |
| 791 | G | 74.7 | Confident | 70.2 | Confident | 34 Ų | 34 | 112.6 Ų | 112.6 | 35% | 0.351 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N787 E788 I789 K795 | N787-G791 PolarHBondContact O-N 2.65Å; E788-G791 PolarHBondContact O-N 3.05Å; I789-G791 VanDerWaalsContact C-N 3.33Å; I789-G791 PolarHBondContact O-N 3.34Å; G791-K795 WeakPolarHBondContact O-CG 3.45Å; G791-K795 PolarHBondContact O-N 2.89Å |
| 792 | R | 74.8 | Confident | 68.1 | Low | 171 Ų | 171 | 112.8 Ų | 112.8 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.2 | -44.2 | 172.2 | -69.8 | 175.8 | -178.8 | -146.9 | 8.7 | 111.3 | E788 I789 K795 S796 | E788-R792 WeakPolarHBondContact O-CG 3.44Å; E788-R792 PolarHBondContact O-N 2.94Å; E788-R792 IonicContact OE1-CZ 3.11Å; E788-R792 IonicContact OE1-NE 2.76Å; E788-R792 PolarHBondContact OE1-NE 3.08Å; E788-R792 IonicContact OE1-NH2 2.66Å; E788-R792 PolarHBondContact OE1-NH2 3.23Å; E788-R792 IonicContact OE2-NH2 3.93Å; I789-R792 PolarHBondContact O-N 2.91Å; R792-K795 PolarHBondContact O-N 2.85Å; R792-S796 PolarHBondContact O-N 2.85Å |
| 793 | L | 64.4 | Low | 66.3 | Low | 95 Ų | 95 | 112.2 Ų | 112.2 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -46.5 | -179.8 | -175.5 | 63.1 | 0 | 0 | 0 | 111.6 | I789 N790 K795 S796 I797 | I789-L793 WeakPolarHBondContact O-CB 3.12Å; I789-L793 PolarHBondContact O-N 2.85Å; N790-L793 PolarHBondContact O-N 3.15Å; L793-K795 PolarHBondContact O-N 3.4Å; L793-S796 WeakPolarHBondContact O-CA 3.44Å; L793-S796 WeakPolarHBondContact O-CB 3.12Å; L793-S796 PolarHBondContact O-N 2.85Å; L793-I797 HydrophobicContact CD1-CD1 4.34Å; L793-I797 HydrophobicContact CG-CD1 3.94Å; L793-I797 WeakPolarHBondContact O-CG1 3.48Å; L793-I797 PolarHBondContact O-N 3.17Å |
| 794 | K | 64.1 | Low | 64.1 | Low | 146 Ų | 146 | 116.5 Ų | 116.5 | 64% | 0.635 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -57.4 | -46.8 | 178.3 | -169.7 | 171.5 | -176.8 | 176 | 0 | 112.1 | N790 S796 I797 D798 | N790-K794 WeakPolarHBondContact O-CB 3.37Å; N790-K794 PolarHBondContact O-N 3.5Å; K794-S796 PolarHBondContact O-N 2.87Å; K794-I797 PolarHBondContact O-N 2.82Å; K794-I797 VanDerWaalsContact O-N 3.11Å; K794-D798 PolarHBondContact O-N 3.2Å |
| 795 | K | 62.8 | Low | 62.5 | Low | 162 Ų | 162 | 118.6 Ų | 118.6 | 70% | 0.704 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.9 | -23 | 174.9 | -71 | 175.3 | -180 | 179.3 | 0 | 114 | G791 R792 L793 | G791-K795 WeakPolarHBondContact O-CG 3.45Å; G791-K795 PolarHBondContact O-N 2.89Å; R792-K795 PolarHBondContact O-N 2.85Å; L793-K795 PolarHBondContact O-N 3.4Å |
| 796 | S | 58.6 | Low | 61.1 | Low | 76 Ų | 76 | 118.2 Ų | 118.2 | 53% | 0.531 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -88 | -24.6 | 177 | -166.2 | 0 | 0 | 0 | 0 | 113.3 | R792 L793 K794 | R792-S796 PolarHBondContact O-N 2.85Å; L793-S796 WeakPolarHBondContact O-CA 3.44Å; L793-S796 WeakPolarHBondContact O-CB 3.12Å; L793-S796 PolarHBondContact O-N 2.85Å; K794-S796 PolarHBondContact O-N 2.87Å |
| 797 | I | 56.4 | Low | 60 | Low | 105 Ų | 105 | 115.2 Ų | 115.2 | 54% | 0.538 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.9 | -40.4 | -178.8 | -73.6 | 169 | 0 | 0 | 0 | 111.2 | L793 K794 N799 K800 | L793-I797 HydrophobicContact CD1-CD1 4.34Å; L793-I797 HydrophobicContact CG-CD1 3.94Å; L793-I797 WeakPolarHBondContact O-CG1 3.48Å; L793-I797 PolarHBondContact O-N 3.17Å; K794-I797 PolarHBondContact O-N 2.82Å; K794-I797 VanDerWaalsContact O-N 3.11Å; I797-N799 PolarHBondContact O-N 2.81Å; I797-K800 PolarHBondContact O-N 2.78Å |
| 798 | D | 53.3 | Low | 59 | Low | 127 Ų | 127 | 115.9 Ų | 115.9 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -8.8 | 179.4 | -64.7 | -30.6 | 0 | 0 | 0 | 114.2 | K794 | K794-D798 PolarHBondContact O-N 3.2Š|
| 799 | N | 49.6 | Very low | 58.2 | Low | 137 Ų | 137 | 116.7 Ų | 116.7 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -1.6 | -177.2 | -84.5 | -66.5 | 0 | 0 | 0 | 115.6 | I797 | I797-N799 PolarHBondContact O-N 2.81Š|
| 800 | K | 47 | Very low | 57.9 | Low | 177 Ų | 177 | 117.1 Ų | 117.1 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | trans | -141.4 | 83.3 | -176.7 | -74.4 | -167 | 175 | -178.7 | 0 | 114.9 | I797 S802 | I797-K800 PolarHBondContact O-N 2.78Å; K800-S802 PolarHBondContact O-N 3.14Å | ||
| 801 | V | 38.6 | Very low | 57.9 | Low | 144 Ų | 144 | 116.8 Ų | 116.8 | 87% | 0.873 | 64% | 0.637 | S | S | * | * | trans | -89.9 | 91.9 | 163.5 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 802 | S | 42.9 | Very low | 58.1 | Low | 116 Ų | 116 | 119 Ų | 119 | 81% | 0.811 | 64% | 0.644 | S | S | * | * | trans | 161.9 | 133.5 | 154.9 | 41.6 | 0 | 0 | 0 | 0 | 110.5 | K800 | K800-S802 PolarHBondContact O-N 3.14Š| ||
| 803 | G | 45.2 | Very low | 58.3 | Low | 70 Ų | 70 | 113.6 Ų | 113.6 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | trans | 133.5 | 52.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 804 | E | 40.2 | Very low | 59.3 | Low | 171 Ų | 171 | 114 Ų | 114 | 80% | 0.799 | 63% | 0.631 | S | S | * | * | trans | -84.9 | 169 | -168 | -61.2 | 174.5 | 148.1 | 0 | 0 | 113.6 | P806 | E804-P806 WeakPolarHBondContact O-CD 3.2Š| ||
| 805 | T | 51.5 | Low | 60.3 | Low | 115 Ų | 115 | 111.3 Ų | 111.3 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 92.8 | -49.6 | 175.3 | 73.4 | 0 | 0 | 0 | 0 | 120.5 | S807 | T805-S807 PolarHBondContact O-N 2.92Š|
| 806 | P | 54.7 | Low | 61.4 | Low | 77 Ų | 77 | 107.8 Ų | 107.8 | 50% | 0.5 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -75.2 | -26.6 | -175.5 | 29.2 | -33.8 | 0 | 0 | 0 | 113.5 | E804 N810 | E804-P806 WeakPolarHBondContact O-CD 3.2Å; P806-N810 PolarHBondContact O-N 2.97Å |
| 807 | S | 59.7 | Low | 62.7 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68 | -40.4 | -173.2 | -161.8 | 0 | 0 | 0 | 0 | 113.5 | T805 N809 N810 E811 | T805-S807 PolarHBondContact O-N 2.92Å; S807-N809 PolarHBondContact O-N 3.39Å; S807-N810 PolarHBondContact O-N 3.31Å; S807-E811 PolarHBondContact O-N 3.05Å; S807-E811 VanDerWaalsContact O-N 3.1Å |
| 808 | I | 62.7 | Low | 64.2 | Low | 123 Ų | 123 | 106.4 Ų | 106.4 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -39.5 | -179.4 | -62.3 | 175.2 | 0 | 0 | 0 | 110.6 | N810 E811 V812 | I808-N810 VanDerWaalsContact C-N 3.31Å; I808-N810 PolarHBondContact O-N 3.28Å; I808-E811 PolarHBondContact O-N 2.92Å; I808-V812 HydrophobicContact CG2-CG2 4.28Å; I808-V812 WeakPolarHBondContact O-CB 3.04Å; I808-V812 WeakPolarHBondContact O-CG2 3.48Å; I808-V812 PolarHBondContact O-N 3.16Å |
| 809 | N | 65.5 | Low | 65.7 | Low | 116 Ų | 116 | 104.6 Ų | 104.6 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.5 | -36.9 | 176.2 | -74.2 | -8.4 | 0 | 0 | 0 | 112.1 | S807 A813 | S807-N809 PolarHBondContact O-N 3.39Å; N809-A813 VanDerWaalsContact O-CB 3.3Å; N809-A813 WeakPolarHBondContact O-CB 3.33Å; N809-A813 PolarHBondContact O-N 3.37Å |
| 810 | N | 73 | Confident | 67.6 | Low | 116 Ų | 116 | 100.7 Ų | 100.7 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | 174.8 | -73.6 | -13.5 | 0 | 0 | 0 | 112.2 | P806 S807 I808 A813 R814 | P806-N810 PolarHBondContact O-N 2.97Å; S807-N810 PolarHBondContact O-N 3.31Å; I808-N810 VanDerWaalsContact C-N 3.31Å; I808-N810 PolarHBondContact O-N 3.28Å; N810-A813 PolarHBondContact O-N 3.33Å; N810-R814 WeakPolarHBondContact O-CB 3.49Å; N810-R814 PolarHBondContact O-N 3.26Å |
| 811 | E | 76.2 | Confident | 69.6 | Low | 86 Ų | 86 | 96.9 Ų | 96.9 | 40% | 0.402 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.4 | -37.3 | 178.5 | -174.1 | 63.2 | -178.6 | 0 | 0 | 112.2 | S807 I808 A813 R814 L815 | S807-E811 PolarHBondContact O-N 3.05Å; S807-E811 VanDerWaalsContact O-N 3.1Å; I808-E811 PolarHBondContact O-N 2.92Å; E811-A813 VanDerWaalsContact C-N 3.32Å; E811-A813 PolarHBondContact O-N 2.89Å; E811-R814 PolarHBondContact O-N 2.7Å; E811-R814 IonicContact OE1-CZ 3.88Å; E811-R814 IonicContact OE1-NE 3.43Å; E811-R814 PolarHBondContact OE1-NE 3.26Å; E811-R814 IonicContact OE1-NH2 2.76Å; E811-R814 PolarHBondContact OE1-NH2 3.42Å; E811-R814 IonicContact OE2-CZ 3.62Å; E811-R814 IonicContact OE2-NE 3.67Å; E811-R814 PolarHBondContact OE2-NE 2.96Å; E811-R814 IonicContact OE2-NH2 2.75Å; E811-L815 HydrophobicContact CG-CD1 4.36Å; E811-L815 WeakPolarHBondContact O-CB 3.46Å; E811-L815 WeakPolarHBondContact O-CG 3.29Å; E811-L815 PolarHBondContact O-N 3.35Å |
| 812 | V | 78.1 | Confident | 71.8 | Confident | 81 Ų | 81 | 92.4 Ų | 92.4 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62 | -40.7 | 169.6 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | I808 T816 | I808-V812 HydrophobicContact CG2-CG2 4.28Å; I808-V812 WeakPolarHBondContact O-CB 3.04Å; I808-V812 WeakPolarHBondContact O-CG2 3.48Å; I808-V812 PolarHBondContact O-N 3.16Å; V812-T816 VanDerWaalsContact O-CB 3.27Å; V812-T816 WeakPolarHBondContact O-CB 3.34Å; V812-T816 PolarHBondContact O-N 3.31Å; V812-T816 PolarHBondContact O-OG1 3.17Å |
| 813 | A | 80.6 | Confident | 74.1 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N809 N810 E811 T816 A817 | N809-A813 VanDerWaalsContact O-CB 3.3Å; N809-A813 WeakPolarHBondContact O-CB 3.33Å; N809-A813 PolarHBondContact O-N 3.37Å; N810-A813 PolarHBondContact O-N 3.33Å; E811-A813 VanDerWaalsContact C-N 3.32Å; E811-A813 PolarHBondContact O-N 2.89Å; A813-T816 PolarHBondContact O-N 2.88Å; A813-A817 WeakPolarHBondContact O-CB 3.5Å; A813-A817 PolarHBondContact O-N 3.18Å |
| 814 | R | 85.5 | Confident | 76.1 | Confident | 104 Ų | 104 | 94.7 Ų | 94.7 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 175.8 | -167.7 | -174.6 | 72 | 72.2 | 8.8 | 111.5 | N810 E811 T816 A817 E818 | N810-R814 WeakPolarHBondContact O-CB 3.49Å; N810-R814 PolarHBondContact O-N 3.26Å; E811-R814 PolarHBondContact O-N 2.7Å; E811-R814 IonicContact OE1-CZ 3.88Å; E811-R814 IonicContact OE1-NE 3.43Å; E811-R814 PolarHBondContact OE1-NE 3.26Å; E811-R814 IonicContact OE1-NH2 2.76Å; E811-R814 PolarHBondContact OE1-NH2 3.42Å; E811-R814 IonicContact OE2-CZ 3.62Å; E811-R814 IonicContact OE2-NE 3.67Å; E811-R814 PolarHBondContact OE2-NE 2.96Å; E811-R814 IonicContact OE2-NH2 2.75Å; R814-T816 VanDerWaalsContact C-N 3.33Å; R814-T816 PolarHBondContact O-N 3.3Å; R814-A817 WeakPolarHBondContact O-CB 3.33Å; R814-A817 PolarHBondContact O-N 3.18Å; R814-E818 IonicContact CZ-OE2 2.75Å; R814-E818 IonicContact NH1-OE1 2.63Å; R814-E818 PolarHBondContact NH1-OE1 2.92Å; R814-E818 IonicContact NH1-OE2 3.54Å; R814-E818 PolarHBondContact NH1-OE2 2.87Å; R814-E818 IonicContact NH2-OE2 2.96Å; R814-E818 PolarHBondContact O-N 2.86Å |
| 815 | L | 84.8 | Confident | 78.5 | Confident | 89 Ų | 89 | 90 Ų | 90 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 177.4 | -69 | 172 | 0 | 0 | 0 | 112 | E811 A817 E818 L819 | E811-L815 HydrophobicContact CG-CD1 4.36Å; E811-L815 WeakPolarHBondContact O-CB 3.46Å; E811-L815 WeakPolarHBondContact O-CG 3.29Å; E811-L815 PolarHBondContact O-N 3.35Å; L815-A817 VanDerWaalsContact C-N 3.33Å; L815-A817 PolarHBondContact O-N 2.9Å; L815-E818 PolarHBondContact O-N 2.83Å; L815-L819 VanDerWaalsContact O-CB 3.3Å; L815-L819 WeakPolarHBondContact O-CB 3.45Å; L815-L819 PolarHBondContact O-N 3.25Å |
| 816 | T | 85.9 | Confident | 80.2 | Confident | 88 Ų | 88 | 89 Ų | 89 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 173.8 | -58 | 0 | 0 | 0 | 0 | 111.4 | V812 A813 R814 A820 | V812-T816 VanDerWaalsContact O-CB 3.27Å; V812-T816 WeakPolarHBondContact O-CB 3.34Å; V812-T816 PolarHBondContact O-N 3.31Å; V812-T816 PolarHBondContact O-OG1 3.17Å; A813-T816 PolarHBondContact O-N 2.88Å; R814-T816 VanDerWaalsContact C-N 3.33Å; R814-T816 PolarHBondContact O-N 3.3Å; T816-A820 WeakPolarHBondContact O-CB 3.39Å; T816-A820 PolarHBondContact O-N 2.69Å |
| 817 | A | 85.1 | Confident | 81.9 | Confident | 56 Ų | 56 | 88.7 Ų | 88.7 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A813 R814 L815 L819 A820 V821 | A813-A817 WeakPolarHBondContact O-CB 3.5Å; A813-A817 PolarHBondContact O-N 3.18Å; R814-A817 WeakPolarHBondContact O-CB 3.33Å; R814-A817 PolarHBondContact O-N 3.18Å; L815-A817 VanDerWaalsContact C-N 3.33Å; L815-A817 PolarHBondContact O-N 2.9Å; A817-L819 PolarHBondContact O-N 3.09Å; A817-A820 WeakPolarHBondContact O-CB 3.43Å; A817-A820 PolarHBondContact O-N 2.84Å; A817-V821 WeakPolarHBondContact O-CG2 3.37Å; A817-V821 PolarHBondContact O-N 2.99Å |
| 818 | E | 87.2 | Confident | 83.3 | Confident | 97 Ų | 97 | 89.1 Ų | 89.1 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.8 | -73.7 | -179.1 | 162.4 | 0 | 0 | 111.9 | R814 L815 A820 V821 A822 | R814-E818 IonicContact CZ-OE2 2.75Å; R814-E818 IonicContact NH1-OE1 2.63Å; R814-E818 PolarHBondContact NH1-OE1 2.92Å; R814-E818 IonicContact NH1-OE2 3.54Å; R814-E818 PolarHBondContact NH1-OE2 2.87Å; R814-E818 IonicContact NH2-OE2 2.96Å; R814-E818 PolarHBondContact O-N 2.86Å; L815-E818 PolarHBondContact O-N 2.83Å; E818-A820 VanDerWaalsContact C-N 3.34Å; E818-V821 PolarHBondContact O-N 3.12Å; E818-A822 WeakPolarHBondContact O-CB 3.31Å; E818-A822 PolarHBondContact O-N 2.78Å |
| 819 | L | 86.8 | Confident | 84.4 | Confident | 89 Ų | 89 | 87.3 Ų | 87.3 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -33.5 | 174.6 | -145.3 | 179 | 0 | 0 | 0 | 111.6 | L815 A817 R823 | L815-L819 VanDerWaalsContact O-CB 3.3Å; L815-L819 WeakPolarHBondContact O-CB 3.45Å; L815-L819 PolarHBondContact O-N 3.25Å; A817-L819 PolarHBondContact O-N 3.09Å; L819-R823 HydrophobicContact CD2-CG 3.95Å; L819-R823 VanDerWaalsContact CD2-NE 3.34Å; L819-R823 WeakPolarHBondContact O-CB 3.34Å; L819-R823 VanDerWaalsContact O-CG 3.31Å; L819-R823 WeakPolarHBondContact O-CG 3.15Å; L819-R823 PolarHBondContact O-N 3.06Å |
| 820 | A | 88.3 | Confident | 85.5 | Confident | 55 Ų | 55 | 87 Ų | 87 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T816 A817 E818 R823 A824 | T816-A820 WeakPolarHBondContact O-CB 3.39Å; T816-A820 PolarHBondContact O-N 2.69Å; A817-A820 WeakPolarHBondContact O-CB 3.43Å; A817-A820 PolarHBondContact O-N 2.84Å; E818-A820 VanDerWaalsContact C-N 3.34Å; A820-R823 PolarHBondContact O-N 2.91Å; A820-A824 WeakPolarHBondContact O-CB 3.32Å; A820-A824 PolarHBondContact O-N 2.78Å |
| 821 | V | 89.4 | Confident | 86.3 | Confident | 96 Ų | 96 | 84.9 Ų | 84.9 | 58% | 0.582 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | A817 E818 R823 A824 T825 | A817-V821 WeakPolarHBondContact O-CG2 3.37Å; A817-V821 PolarHBondContact O-N 2.99Å; E818-V821 PolarHBondContact O-N 3.12Å; V821-R823 VanDerWaalsContact C-N 3.33Å; V821-R823 PolarHBondContact O-N 3.12Å; V821-A824 WeakPolarHBondContact O-CB 3.43Å; V821-A824 PolarHBondContact O-N 2.78Å; V821-A824 VanDerWaalsContact O-N 3.14Å; V821-T825 PolarHBondContact O-N 2.98Å; V821-T825 PolarHBondContact O-OG1 3.46Å |
| 822 | A | 84.9 | Confident | 87 | Confident | 51 Ų | 51 | 87.5 Ų | 87.5 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E818 T825 L826 | E818-A822 WeakPolarHBondContact O-CB 3.31Å; E818-A822 PolarHBondContact O-N 2.78Å; A822-T825 PolarHBondContact O-OG1 2.98Å; A822-L826 VanDerWaalsContact O-CB 3.26Å; A822-L826 WeakPolarHBondContact O-CB 3.47Å; A822-L826 PolarHBondContact O-N 2.95Å |
| 823 | R | 90.3 | Very high | 87.5 | Confident | 172 Ų | 172 | 88.5 Ų | 88.5 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -38.1 | 172.4 | -78.1 | 172.8 | 174.5 | 163.7 | 2.1 | 112.5 | L819 A820 V821 S827 | L819-R823 HydrophobicContact CD2-CG 3.95Å; L819-R823 VanDerWaalsContact CD2-NE 3.34Å; L819-R823 WeakPolarHBondContact O-CB 3.34Å; L819-R823 VanDerWaalsContact O-CG 3.31Å; L819-R823 WeakPolarHBondContact O-CG 3.15Å; L819-R823 PolarHBondContact O-N 3.06Å; A820-R823 PolarHBondContact O-N 2.91Å; V821-R823 VanDerWaalsContact C-N 3.33Å; V821-R823 PolarHBondContact O-N 3.12Å; R823-S827 VanDerWaalsContact O-CB 3.27Å; R823-S827 WeakPolarHBondContact O-CB 3.26Å; R823-S827 PolarHBondContact O-N 2.64Å |
| 824 | A | 88.9 | Confident | 87.9 | Confident | 61 Ų | 61 | 90 Ų | 90 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A820 V821 S827 E828 | A820-A824 WeakPolarHBondContact O-CB 3.32Å; A820-A824 PolarHBondContact O-N 2.78Å; V821-A824 WeakPolarHBondContact O-CB 3.43Å; V821-A824 PolarHBondContact O-N 2.78Å; V821-A824 VanDerWaalsContact O-N 3.14Å; A824-S827 PolarHBondContact O-N 2.85Å; A824-E828 WeakPolarHBondContact O-CB 3.15Å; A824-E828 PolarHBondContact O-N 2.95Å |
| 825 | T | 90.3 | Very high | 87.9 | Confident | 72 Ų | 72 | 91.3 Ų | 91.3 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 177.5 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | V821 A822 E828 T829 | V821-T825 PolarHBondContact O-N 2.98Å; V821-T825 PolarHBondContact O-OG1 3.46Å; A822-T825 PolarHBondContact O-OG1 2.98Å; T825-E828 PolarHBondContact O-N 3.43Å; T825-T829 WeakPolarHBondContact O-CG2 3.27Å; T825-T829 PolarHBondContact O-N 3.48Å; T825-T829 PolarHBondContact O-OG1 3.03Å |
| 826 | L | 86.3 | Confident | 88 | Confident | 96 Ų | 96 | 92 Ų | 92 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 175.9 | -156.6 | 162.2 | 0 | 0 | 0 | 110.4 | A822 E828 T829 E830 | A822-L826 VanDerWaalsContact O-CB 3.26Å; A822-L826 WeakPolarHBondContact O-CB 3.47Å; A822-L826 PolarHBondContact O-N 2.95Å; L826-E828 VanDerWaalsContact C-N 3.32Å; L826-E828 PolarHBondContact O-N 2.81Å; L826-T829 WeakPolarHBondContact CA-OG1 3.39Å; L826-T829 PolarHBondContact O-N 3.46Å; L826-T829 VanDerWaalsContact O-N 3.08Å; L826-T829 PolarHBondContact O-OG1 2.96Å; L826-E830 HydrophobicContact CD2-CG 3.93Å; L826-E830 WeakPolarHBondContact CD2-OE1 3.31Å; L826-E830 WeakPolarHBondContact O-CG 3.46Å; L826-E830 PolarHBondContact O-N 2.8Å |
| 827 | S | 90.5 | Very high | 88.1 | Confident | 70 Ų | 70 | 93.4 Ų | 93.4 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -36 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 113.1 | R823 A824 E830 C831 | R823-S827 VanDerWaalsContact O-CB 3.27Å; R823-S827 WeakPolarHBondContact O-CB 3.26Å; R823-S827 PolarHBondContact O-N 2.64Å; A824-S827 PolarHBondContact O-N 2.85Å; S827-E830 PolarHBondContact O-N 2.83Å; S827-C831 WeakPolarHBondContact O-CB 3.31Å; S827-C831 PolarHBondContact O-N 3.44Å |
| 828 | E | 88.3 | Confident | 88.4 | Confident | 97 Ų | 97 | 98.4 Ų | 98.4 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 172.7 | -166.8 | -174.2 | 179.2 | 0 | 0 | 111.6 | A824 T825 L826 C831 R832 | A824-E828 WeakPolarHBondContact O-CB 3.15Å; A824-E828 PolarHBondContact O-N 2.95Å; T825-E828 PolarHBondContact O-N 3.43Å; L826-E828 VanDerWaalsContact C-N 3.32Å; L826-E828 PolarHBondContact O-N 2.81Å; E828-C831 WeakPolarHBondContact O-CB 3.26Å; E828-C831 PolarHBondContact O-N 2.72Å; E828-R832 WeakPolarHBondContact O-CG 3.1Å; E828-R832 PolarHBondContact O-N 3.36Å; E828-R832 IonicContact OE1-CZ 3.8Å; E828-R832 IonicContact OE1-NE 2.67Å; E828-R832 PolarHBondContact OE1-NE 2.89Å; E828-R832 IonicContact OE1-NH2 2.81Å; E828-R832 PolarHBondContact OE1-NH2 2.79Å; E828-R832 IonicContact OE2-NH2 3.73Å |
| 829 | T | 86.1 | Confident | 88.3 | Confident | 84 Ų | 84 | 95.5 Ų | 95.5 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 176.3 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | T825 L826 R832 L833 | T825-T829 WeakPolarHBondContact O-CG2 3.27Å; T825-T829 PolarHBondContact O-N 3.48Å; T825-T829 PolarHBondContact O-OG1 3.03Å; L826-T829 WeakPolarHBondContact CA-OG1 3.39Å; L826-T829 PolarHBondContact O-N 3.46Å; L826-T829 VanDerWaalsContact O-N 3.08Å; L826-T829 PolarHBondContact O-OG1 2.96Å; T829-R832 PolarHBondContact O-N 2.76Å; T829-L833 WeakPolarHBondContact O-CB 3.46Å; T829-L833 PolarHBondContact O-N 3.14Å |
| 830 | E | 89.6 | Confident | 88.5 | Confident | 110 Ų | 110 | 100.7 Ų | 100.7 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 171.3 | -71.8 | 173.6 | 150.6 | 0 | 0 | 111.2 | L826 S827 L833 V834 | L826-E830 HydrophobicContact CD2-CG 3.93Å; L826-E830 WeakPolarHBondContact CD2-OE1 3.31Å; L826-E830 WeakPolarHBondContact O-CG 3.46Å; L826-E830 PolarHBondContact O-N 2.8Å; S827-E830 PolarHBondContact O-N 2.83Å; E830-L833 WeakPolarHBondContact O-CB 3.25Å; E830-L833 PolarHBondContact O-N 3.06Å; E830-V834 WeakPolarHBondContact O-CG2 3.47Å; E830-V834 PolarHBondContact O-N 2.82Å |
| 831 | C | 89.4 | Confident | 88.5 | Confident | 71 Ų | 71 | 100.5 Ų | 100.5 | 48% | 0.48 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 176.2 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | S827 E828 L833 V834 E835 | S827-C831 WeakPolarHBondContact O-CB 3.31Å; S827-C831 PolarHBondContact O-N 3.44Å; E828-C831 WeakPolarHBondContact O-CB 3.26Å; E828-C831 PolarHBondContact O-N 2.72Å; C831-L833 VanDerWaalsContact C-N 3.3Å; C831-L833 PolarHBondContact O-N 3.09Å; C831-V834 PolarHBondContact O-N 2.83Å; C831-E835 WeakPolarHBondContact O-CG 3.5Å; C831-E835 PolarHBondContact O-N 2.91Å |
| 832 | R | 90.2 | Very high | 88.4 | Confident | 141 Ų | 141 | 103.2 Ų | 103.2 | 53% | 0.532 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.1 | -69.1 | 173.5 | -176.3 | -159.7 | 5 | 112.5 | E828 T829 E835 V836 | E828-R832 WeakPolarHBondContact O-CG 3.1Å; E828-R832 PolarHBondContact O-N 3.36Å; E828-R832 IonicContact OE1-CZ 3.8Å; E828-R832 IonicContact OE1-NE 2.67Å; E828-R832 PolarHBondContact OE1-NE 2.89Å; E828-R832 IonicContact OE1-NH2 2.81Å; E828-R832 PolarHBondContact OE1-NH2 2.79Å; E828-R832 IonicContact OE2-NH2 3.73Å; T829-R832 PolarHBondContact O-N 2.76Å; R832-E835 PolarHBondContact O-N 2.91Å; R832-V836 WeakPolarHBondContact O-CG2 3.31Å; R832-V836 PolarHBondContact O-N 3.06Å |
| 833 | L | 88.2 | Confident | 88.5 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 174.4 | -176.5 | 68.7 | 0 | 0 | 0 | 110.9 | T829 E830 C831 E835 V836 E837 | T829-L833 WeakPolarHBondContact O-CB 3.46Å; T829-L833 PolarHBondContact O-N 3.14Å; E830-L833 WeakPolarHBondContact O-CB 3.25Å; E830-L833 PolarHBondContact O-N 3.06Å; C831-L833 VanDerWaalsContact C-N 3.3Å; C831-L833 PolarHBondContact O-N 3.09Å; L833-E835 VanDerWaalsContact C-N 3.29Å; L833-E835 PolarHBondContact O-N 3.1Å; L833-V836 PolarHBondContact O-N 2.98Å; L833-V836 VanDerWaalsContact O-N 3.16Å; L833-E837 WeakPolarHBondContact O-CG 3.49Å; L833-E837 PolarHBondContact O-N 2.86Å |
| 834 | V | 89.5 | Confident | 88.5 | Confident | 89 Ų | 89 | 109.3 Ų | 109.3 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | E830 C831 R838 | E830-V834 WeakPolarHBondContact O-CG2 3.47Å; E830-V834 PolarHBondContact O-N 2.82Å; C831-V834 PolarHBondContact O-N 2.83Å; V834-R838 WeakPolarHBondContact O-CB 3.09Å; V834-R838 PolarHBondContact O-N 3.36Å |
| 835 | E | 85.8 | Confident | 88.6 | Confident | 131 Ų | 131 | 112.8 Ų | 112.8 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 173.3 | -71.6 | -170.1 | 140.4 | 0 | 0 | 112.7 | C831 R832 L833 R838 G839 | C831-E835 WeakPolarHBondContact O-CG 3.5Å; C831-E835 PolarHBondContact O-N 2.91Å; R832-E835 PolarHBondContact O-N 2.91Å; L833-E835 VanDerWaalsContact C-N 3.29Å; L833-E835 PolarHBondContact O-N 3.1Å; E835-R838 PolarHBondContact O-N 3.26Å; E835-G839 PolarHBondContact O-N 2.79Å |
| 836 | V | 87.6 | Confident | 88.5 | Confident | 103 Ų | 103 | 114.7 Ų | 114.7 | 62% | 0.624 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -42.6 | 177 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | R832 L833 G839 R840 | R832-V836 WeakPolarHBondContact O-CG2 3.31Å; R832-V836 PolarHBondContact O-N 3.06Å; L833-V836 PolarHBondContact O-N 2.98Å; L833-V836 VanDerWaalsContact O-N 3.16Å; V836-G839 PolarHBondContact O-N 3Å; V836-R840 WeakPolarHBondContact O-CB 3.46Å; V836-R840 PolarHBondContact O-N 3.13Å |
| 837 | E | 87.7 | Confident | 88.5 | Confident | 117 Ų | 117 | 117.2 Ų | 117.2 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -41.9 | 174.9 | -70.9 | -164.5 | 141.7 | 0 | 0 | 111.9 | L833 G839 R840 A841 | L833-E837 WeakPolarHBondContact O-CG 3.49Å; L833-E837 PolarHBondContact O-N 2.86Å; E837-G839 VanDerWaalsContact C-N 3.31Å; E837-G839 PolarHBondContact O-N 3.26Å; E837-R840 PolarHBondContact O-N 3.4Å; E837-A841 WeakPolarHBondContact O-CB 3.44Å; E837-A841 PolarHBondContact O-N 2.92Å |
| 838 | R | 90.4 | Very high | 88.4 | Confident | 162 Ų | 162 | 117 Ų | 117 | 61% | 0.611 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.6 | -35.5 | 174 | -168.3 | 177.5 | -172.3 | -173.9 | 5.5 | 111.8 | V834 E835 R842 | V834-R838 WeakPolarHBondContact O-CB 3.09Å; V834-R838 PolarHBondContact O-N 3.36Å; E835-R838 PolarHBondContact O-N 3.26Å; R838-R842 WeakPolarHBondContact O-CB 3.26Å; R838-R842 VanDerWaalsContact O-CG 3.26Å; R838-R842 WeakPolarHBondContact O-CG 3.27Å; R838-R842 PolarHBondContact O-N 3.33Å |
| 839 | G | 86.8 | Confident | 88.5 | Confident | 36 Ų | 36 | 118.7 Ų | 118.7 | 37% | 0.371 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.7 | -50.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E835 V836 E837 A841 R842 Y843 | E835-G839 PolarHBondContact O-N 2.79Å; V836-G839 PolarHBondContact O-N 3Å; E837-G839 VanDerWaalsContact C-N 3.31Å; E837-G839 PolarHBondContact O-N 3.26Å; G839-A841 VanDerWaalsContact C-N 3.33Å; G839-A841 PolarHBondContact O-N 3.16Å; G839-R842 PolarHBondContact O-N 3.39Å; G839-Y843 PolarHBondContact O-N 2.67Å |
| 840 | R | 90.2 | Very high | 88.6 | Confident | 198 Ų | 198 | 117.5 Ų | 117.5 | 75% | 0.747 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.3 | -41.2 | 175.7 | -173.7 | -177.8 | -179.1 | -162.9 | 2.2 | 112.1 | V836 E837 Y843 R844 | V836-R840 WeakPolarHBondContact O-CB 3.46Å; V836-R840 PolarHBondContact O-N 3.13Å; E837-R840 PolarHBondContact O-N 3.4Å; R840-Y843 PolarHBondContact O-N 2.89Å; R840-R844 WeakPolarHBondContact O-CB 3.44Å; R840-R844 PolarHBondContact O-N 2.83Å |
| 841 | A | 87.2 | Confident | 88.5 | Confident | 50 Ų | 50 | 116.4 Ų | 116.4 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -45.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E837 G839 R844 Q845 | E837-A841 WeakPolarHBondContact O-CB 3.44Å; E837-A841 PolarHBondContact O-N 2.92Å; G839-A841 VanDerWaalsContact C-N 3.33Å; G839-A841 PolarHBondContact O-N 3.16Å; A841-R844 PolarHBondContact O-N 3.43Å; A841-Q845 WeakPolarHBondContact O-CG 3.43Å; A841-Q845 PolarHBondContact O-N 3.34Å |
| 842 | R | 88.5 | Confident | 88.5 | Confident | 153 Ų | 153 | 119.2 Ų | 119.2 | 58% | 0.577 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.2 | -46.5 | 173.6 | -74.2 | 169.4 | -177.2 | -103.1 | 12.6 | 111.7 | R838 G839 R844 Q845 L846 | R838-R842 WeakPolarHBondContact O-CB 3.26Å; R838-R842 VanDerWaalsContact O-CG 3.26Å; R838-R842 WeakPolarHBondContact O-CG 3.27Å; R838-R842 PolarHBondContact O-N 3.33Å; G839-R842 PolarHBondContact O-N 3.39Å; R842-R844 PolarHBondContact O-N 3.04Å; R842-Q845 PolarHBondContact O-N 3.04Å; R842-L846 WeakPolarHBondContact O-CB 3.48Å; R842-L846 PolarHBondContact O-N 2.9Å |
| 843 | Y | 87.7 | Confident | 88.4 | Confident | 158 Ų | 158 | 118.2 Ų | 118.2 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.6 | -43.1 | 179.3 | -168.8 | -89.4 | 0 | 0 | 0 | 111.5 | G839 R840 Q845 L846 W847 | G839-Y843 PolarHBondContact O-N 2.67Å; R840-Y843 PolarHBondContact O-N 2.89Å; Y843-Q845 PolarHBondContact O-N 2.65Å; Y843-L846 PolarHBondContact O-N 3.07Å; Y843-W847 WeakPolarHBondContact O-CB 3.32Å; Y843-W847 PolarHBondContact O-N 2.91Å |
| 844 | R | 90.1 | Very high | 88.4 | Confident | 194 Ų | 194 | 118.9 Ų | 118.9 | 73% | 0.732 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.2 | -43.6 | 175.2 | -166 | 177.6 | -170.3 | 176.1 | 3.7 | 111.9 | R840 A841 R842 T848 | R840-R844 WeakPolarHBondContact O-CB 3.44Å; R840-R844 PolarHBondContact O-N 2.83Å; A841-R844 PolarHBondContact O-N 3.43Å; R842-R844 PolarHBondContact O-N 3.04Å; R844-T848 WeakPolarHBondContact O-CB 3.4Å; R844-T848 PolarHBondContact O-N 2.71Å; R844-T848 PolarHBondContact O-OG1 2.87Å |
| 845 | Q | 89.3 | Confident | 88.3 | Confident | 134 Ų | 134 | 117.5 Ų | 117.5 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.7 | -42.4 | 174.8 | -75.1 | 178.7 | -16.8 | 0 | 0 | 112.5 | A841 R842 Y843 T848 K849 | A841-Q845 WeakPolarHBondContact O-CG 3.43Å; A841-Q845 PolarHBondContact O-N 3.34Å; R842-Q845 PolarHBondContact O-N 3.04Å; Y843-Q845 PolarHBondContact O-N 2.65Å; Q845-T848 PolarHBondContact O-N 2.85Å; Q845-K849 WeakPolarHBondContact O-CG 3.37Å; Q845-K849 PolarHBondContact O-N 3.18Å |
| 846 | L | 88.9 | Confident | 88.6 | Confident | 112 Ų | 112 | 116.5 Ų | 116.5 | 59% | 0.586 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.2 | -46.9 | 179.6 | -161.5 | 71.2 | 0 | 0 | 0 | 111 | R842 Y843 T848 K849 S850 | R842-L846 WeakPolarHBondContact O-CB 3.48Å; R842-L846 PolarHBondContact O-N 2.9Å; Y843-L846 PolarHBondContact O-N 3.07Å; L846-T848 VanDerWaalsContact C-N 3.34Å; L846-T848 PolarHBondContact O-N 2.92Å; L846-K849 WeakPolarHBondContact O-CB 3.28Å; L846-K849 PolarHBondContact O-N 2.86Å; L846-K849 VanDerWaalsContact O-N 3.09Å; L846-S850 PolarHBondContact O-N 2.82Å; L846-S850 PolarHBondContact O-OG 2.87Å |
| 847 | W | 87.5 | Confident | 88.7 | Confident | 149 Ų | 149 | 115.9 Ų | 115.9 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.3 | -43.4 | 174.2 | -174.2 | -99.5 | 0 | 0 | 0 | 112.5 | Y843 K849 S850 L851 | Y843-W847 WeakPolarHBondContact O-CB 3.32Å; Y843-W847 PolarHBondContact O-N 2.91Å; W847-K849 VanDerWaalsContact C-N 3.34Å; W847-K849 PolarHBondContact O-N 2.9Å; W847-S850 PolarHBondContact O-N 2.95Å; W847-L851 WeakPolarHBondContact O-CG 3.38Å; W847-L851 PolarHBondContact O-N 2.95Å |
| 848 | T | 87.6 | Confident | 88.8 | Confident | 65 Ų | 65 | 116.7 Ų | 116.7 | 40% | 0.399 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.1 | -39.7 | 174.1 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | R844 Q845 L846 H852 | R844-T848 WeakPolarHBondContact O-CB 3.4Å; R844-T848 PolarHBondContact O-N 2.71Å; R844-T848 PolarHBondContact O-OG1 2.87Å; Q845-T848 PolarHBondContact O-N 2.85Å; L846-T848 VanDerWaalsContact C-N 3.34Å; L846-T848 PolarHBondContact O-N 2.92Å; T848-H852 PolarHBondContact O-N 3.5Å; T848-H852 PolarHBondContact O-ND1 2.97Å |
| 849 | K | 89.5 | Confident | 88.8 | Confident | 133 Ų | 133 | 115.6 Ų | 115.6 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.5 | -49.9 | 173.9 | -75.4 | -174.8 | 173.9 | -165.4 | 0 | 112.1 | Q845 L846 W847 L851 H852 E853 | Q845-K849 WeakPolarHBondContact O-CG 3.37Å; Q845-K849 PolarHBondContact O-N 3.18Å; L846-K849 WeakPolarHBondContact O-CB 3.28Å; L846-K849 PolarHBondContact O-N 2.86Å; L846-K849 VanDerWaalsContact O-N 3.09Å; W847-K849 VanDerWaalsContact C-N 3.34Å; W847-K849 PolarHBondContact O-N 2.9Å; K849-L851 PolarHBondContact O-N 2.91Å; K849-H852 WeakPolarHBondContact O-CA 3.42Å; K849-H852 PolarHBondContact O-N 2.87Å; K849-E853 PolarHBondContact O-N 3.08Å |
| 850 | S | 90 | Very high | 89 | Confident | 58 Ų | 58 | 118.5 Ų | 118.5 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.5 | -35.3 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | L846 W847 L854 | L846-S850 PolarHBondContact O-N 2.82Å; L846-S850 PolarHBondContact O-OG 2.87Å; W847-S850 PolarHBondContact O-N 2.95Å; S850-L854 VanDerWaalsContact O-CB 3.25Å; S850-L854 WeakPolarHBondContact O-CB 3.37Å; S850-L854 PolarHBondContact O-N 3.45Å |
| 851 | L | 86.7 | Confident | 88.8 | Confident | 87 Ų | 87 | 111.5 Ų | 111.5 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 172.2 | -76.7 | 172.6 | 0 | 0 | 0 | 113.4 | W847 K849 A855 | W847-L851 WeakPolarHBondContact O-CG 3.38Å; W847-L851 PolarHBondContact O-N 2.95Å; K849-L851 PolarHBondContact O-N 2.91Å; L851-A855 VanDerWaalsContact O-CB 3.31Å; L851-A855 WeakPolarHBondContact O-CB 3.34Å; L851-A855 PolarHBondContact O-N 2.9Å |
| 852 | H | 88.7 | Confident | 88.8 | Confident | 131 Ų | 131 | 112.4 Ų | 112.4 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.2 | -37.9 | 175.8 | -74.1 | 73.7 | 0 | 0 | 0 | 111.7 | T848 K849 A855 K856 | T848-H852 PolarHBondContact O-N 3.5Å; T848-H852 PolarHBondContact O-ND1 2.97Å; K849-H852 WeakPolarHBondContact O-CA 3.42Å; K849-H852 PolarHBondContact O-N 2.87Å; H852-A855 PolarHBondContact O-N 2.76Å; H852-K856 WeakPolarHBondContact O-CB 3.1Å; H852-K856 PolarHBondContact O-N 3.46Å |
| 853 | E | 88.9 | Confident | 88.9 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.9 | -43.8 | 175.1 | -73.2 | 167.2 | -172.1 | 0 | 0 | 111 | K849 A855 K856 V857 | K849-E853 PolarHBondContact O-N 3.08Å; E853-A855 PolarHBondContact O-N 2.89Å; E853-K856 PolarHBondContact O-N 2.96Å; E853-V857 WeakPolarHBondContact O-CG2 3.41Å; E853-V857 PolarHBondContact O-N 2.96Å |
| 854 | L | 87.6 | Confident | 88.9 | Confident | 118 Ų | 118 | 104.4 Ų | 104.4 | 62% | 0.618 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 173.7 | -177.3 | 64.1 | 0 | 0 | 0 | 112.4 | S850 K856 K858 | S850-L854 VanDerWaalsContact O-CB 3.25Å; S850-L854 WeakPolarHBondContact O-CB 3.37Å; S850-L854 PolarHBondContact O-N 3.45Å; L854-K856 VanDerWaalsContact C-N 3.35Å; L854-K858 WeakPolarHBondContact O-CB 3.33Å; L854-K858 PolarHBondContact O-N 3.36Å |
| 855 | A | 87.6 | Confident | 88.8 | Confident | 59 Ų | 59 | 99.1 Ų | 99.1 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L851 H852 E853 Q859 | L851-A855 VanDerWaalsContact O-CB 3.31Å; L851-A855 WeakPolarHBondContact O-CB 3.34Å; L851-A855 PolarHBondContact O-N 2.9Å; H852-A855 PolarHBondContact O-N 2.76Å; E853-A855 PolarHBondContact O-N 2.89Å; A855-Q859 PolarHBondContact O-N 3.24Å |
| 856 | K | 91.4 | Very high | 88.8 | Confident | 111 Ų | 111 | 100 Ų | 100 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -50.4 | 175.2 | -176.9 | -175.9 | 175.1 | -83.9 | 0 | 111.7 | H852 E853 L854 K858 Q859 E860 | H852-K856 WeakPolarHBondContact O-CB 3.1Å; H852-K856 PolarHBondContact O-N 3.46Å; E853-K856 PolarHBondContact O-N 2.96Å; L854-K856 VanDerWaalsContact C-N 3.35Å; K856-K858 VanDerWaalsContact C-N 3.27Å; K856-K858 PolarHBondContact O-N 3.44Å; K856-Q859 WeakPolarHBondContact O-CB 3.16Å; K856-Q859 PolarHBondContact O-N 2.72Å; K856-E860 WeakPolarHBondContact CE-OE1 3.37Å; K856-E860 HydrophobicContact CG-CG 4.49Å; K856-E860 IonicContact NZ-OE1 2.8Å; K856-E860 PolarHBondContact NZ-OE1 3.48Å; K856-E860 IonicContact NZ-OE2 2.81Å; K856-E860 PolarHBondContact NZ-OE2 2.71Å; K856-E860 WeakPolarHBondContact O-CG 3.39Å; K856-E860 PolarHBondContact O-N 2.97Å |
| 857 | V | 90 | Very high | 88.8 | Confident | 89 Ų | 89 | 98.8 Ų | 98.8 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 178.8 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | E853 E860 A861 | E853-V857 WeakPolarHBondContact O-CG2 3.41Å; E853-V857 PolarHBondContact O-N 2.96Å; V857-E860 PolarHBondContact O-N 2.84Å; V857-A861 PolarHBondContact O-N 2.72Å |
| 858 | K | 90.3 | Very high | 88.9 | Confident | 134 Ų | 134 | 94.5 Ų | 94.5 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.9 | -46.8 | 171.9 | -177.5 | 176.7 | 176.1 | -179.4 | 0 | 112 | L854 K856 E860 A861 D862 | L854-K858 WeakPolarHBondContact O-CB 3.33Å; L854-K858 PolarHBondContact O-N 3.36Å; K856-K858 VanDerWaalsContact C-N 3.27Å; K856-K858 PolarHBondContact O-N 3.44Å; K858-E860 VanDerWaalsContact C-N 3.3Å; K858-E860 PolarHBondContact O-N 2.9Å; K858-A861 PolarHBondContact O-N 3.15Å; K858-D862 WeakPolarHBondContact CE-OD2 3.26Å; K858-D862 WeakPolarHBondContact O-CB 3.25Å; K858-D862 PolarHBondContact O-N 3.05Å |
| 859 | Q | 90.2 | Very high | 88.8 | Confident | 139 Ų | 139 | 96.7 Ų | 96.7 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.8 | -37.7 | 177.5 | -176.4 | 179.6 | -7.2 | 0 | 0 | 112.2 | A855 K856 D862 E863 | A855-Q859 PolarHBondContact O-N 3.24Å; K856-Q859 WeakPolarHBondContact O-CB 3.16Å; K856-Q859 PolarHBondContact O-N 2.72Å; Q859-D862 PolarHBondContact O-N 2.67Å; Q859-E863 WeakPolarHBondContact O-CB 3.48Å; Q859-E863 PolarHBondContact O-N 3.12Å |
| 860 | E | 91 | Very high | 88.8 | Confident | 98 Ų | 98 | 93 Ų | 93 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 176.6 | -71.2 | 175 | 141.6 | 0 | 0 | 111.7 | K856 V857 K858 A864 | K856-E860 WeakPolarHBondContact CE-OE1 3.37Å; K856-E860 HydrophobicContact CG-CG 4.49Å; K856-E860 IonicContact NZ-OE1 2.8Å; K856-E860 PolarHBondContact NZ-OE1 3.48Å; K856-E860 IonicContact NZ-OE2 2.81Å; K856-E860 PolarHBondContact NZ-OE2 2.71Å; K856-E860 WeakPolarHBondContact O-CG 3.39Å; K856-E860 PolarHBondContact O-N 2.97Å; V857-E860 PolarHBondContact O-N 2.84Å; K858-E860 VanDerWaalsContact C-N 3.3Å; K858-E860 PolarHBondContact O-N 2.9Å; E860-A864 VanDerWaalsContact O-CB 3.27Å; E860-A864 WeakPolarHBondContact O-CB 3.46Å; E860-A864 PolarHBondContact O-N 2.9Å |
| 861 | A | 87.3 | Confident | 88.8 | Confident | 51 Ų | 51 | 95.6 Ų | 95.6 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V857 K858 E863 A864 T865 | V857-A861 PolarHBondContact O-N 2.72Å; K858-A861 PolarHBondContact O-N 3.15Å; A861-E863 PolarHBondContact O-N 3.38Å; A861-A864 PolarHBondContact O-N 3.09Å; A861-T865 WeakPolarHBondContact O-CB 3.27Å; A861-T865 WeakPolarHBondContact O-CG2 3.19Å; A861-T865 PolarHBondContact O-N 2.89Å; A861-T865 PolarHBondContact O-OG1 2.83Å |
| 862 | D | 86.6 | Confident | 88.8 | Confident | 69 Ų | 69 | 96.3 Ų | 96.3 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -28.8 | 175.3 | -74 | -19.9 | 0 | 0 | 0 | 111.6 | K858 Q859 T865 R866 | K858-D862 WeakPolarHBondContact CE-OD2 3.26Å; K858-D862 WeakPolarHBondContact O-CB 3.25Å; K858-D862 PolarHBondContact O-N 3.05Å; Q859-D862 PolarHBondContact O-N 2.67Å; D862-T865 PolarHBondContact O-OG1 2.9Å; D862-R866 WeakPolarHBondContact O-CD 3.38Å; D862-R866 VanDerWaalsContact O-CG 3.27Å; D862-R866 WeakPolarHBondContact O-CG 3.46Å; D862-R866 PolarHBondContact O-NE 2.69Å |
| 863 | E | 89.2 | Confident | 88.6 | Confident | 86 Ų | 86 | 96.2 Ų | 96.2 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -85.6 | -40.4 | 174.6 | -165.8 | 64.7 | -164.3 | 0 | 0 | 112.5 | Q859 A861 T865 R866 I867 | Q859-E863 WeakPolarHBondContact O-CB 3.48Å; Q859-E863 PolarHBondContact O-N 3.12Å; A861-E863 PolarHBondContact O-N 3.38Å; E863-T865 VanDerWaalsContact C-N 3.29Å; E863-T865 PolarHBondContact O-N 3.24Å; E863-R866 WeakPolarHBondContact O-CB 3.48Å; E863-R866 PolarHBondContact O-N 3.37Å; E863-R866 VanDerWaalsContact O-N 3.15Å; E863-R866 WeakPolarHBondContact OE2-CD 3.25Å; E863-R866 IonicContact OE2-CZ 2.71Å; E863-R866 IonicContact OE2-NE 3.34Å; E863-R866 IonicContact OE2-NH1 3.68Å; E863-R866 PolarHBondContact OE2-NH1 2.77Å; E863-I867 HydrophobicContact CG-CD1 4.17Å; E863-I867 WeakPolarHBondContact O-CG1 3.45Å; E863-I867 PolarHBondContact O-N 3.18Å |
| 864 | A | 89.5 | Confident | 88.6 | Confident | 56 Ų | 56 | 92.9 Ų | 92.9 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E860 A861 I867 S868 | E860-A864 VanDerWaalsContact O-CB 3.27Å; E860-A864 WeakPolarHBondContact O-CB 3.46Å; E860-A864 PolarHBondContact O-N 2.9Å; A861-A864 PolarHBondContact O-N 3.09Å; A864-I867 PolarHBondContact O-N 2.92Å; A864-S868 WeakPolarHBondContact O-CB 3.24Å; A864-S868 PolarHBondContact O-N 3Å |
| 865 | T | 87 | Confident | 88.5 | Confident | 84 Ų | 84 | 91.8 Ų | 91.8 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 174.7 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | A861 D862 E863 L869 | A861-T865 WeakPolarHBondContact O-CB 3.27Å; A861-T865 WeakPolarHBondContact O-CG2 3.19Å; A861-T865 PolarHBondContact O-N 2.89Å; A861-T865 PolarHBondContact O-OG1 2.83Å; D862-T865 PolarHBondContact O-OG1 2.9Å; E863-T865 VanDerWaalsContact C-N 3.29Å; E863-T865 PolarHBondContact O-N 3.24Å; T865-L869 WeakPolarHBondContact O-CB 3.29Å; T865-L869 PolarHBondContact O-N 3.5Å |
| 866 | R | 89.8 | Confident | 88.2 | Confident | 151 Ų | 151 | 93.8 Ų | 93.8 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 170.7 | -70.6 | 167.1 | -165.1 | 165.1 | 3.5 | 112.1 | D862 E863 L869 A870 | D862-R866 WeakPolarHBondContact O-CD 3.38Å; D862-R866 VanDerWaalsContact O-CG 3.27Å; D862-R866 WeakPolarHBondContact O-CG 3.46Å; D862-R866 PolarHBondContact O-NE 2.69Å; E863-R866 WeakPolarHBondContact O-CB 3.48Å; E863-R866 PolarHBondContact O-N 3.37Å; E863-R866 VanDerWaalsContact O-N 3.15Å; E863-R866 WeakPolarHBondContact OE2-CD 3.25Å; E863-R866 IonicContact OE2-CZ 2.71Å; E863-R866 IonicContact OE2-NE 3.34Å; E863-R866 IonicContact OE2-NH1 3.68Å; E863-R866 PolarHBondContact OE2-NH1 2.77Å; R866-L869 PolarHBondContact O-N 3.05Å; R866-A870 WeakPolarHBondContact O-CB 3.49Å; R866-A870 PolarHBondContact O-N 3.09Å |
| 867 | I | 89.2 | Confident | 87.8 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 179.7 | -67.9 | 167.4 | 0 | 0 | 0 | 110.2 | E863 A864 A870 Q871 | E863-I867 HydrophobicContact CG-CD1 4.17Å; E863-I867 WeakPolarHBondContact O-CG1 3.45Å; E863-I867 PolarHBondContact O-N 3.18Å; A864-I867 PolarHBondContact O-N 2.92Å; I867-A870 PolarHBondContact O-N 3.36Å; I867-Q871 WeakPolarHBondContact O-CB 3.46Å; I867-Q871 WeakPolarHBondContact O-CG 3.27Å; I867-Q871 PolarHBondContact O-N 3.08Å |
| 868 | S | 88.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 96.4 Ų | 96.4 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.7 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | A864 Q871 K872 | A864-S868 WeakPolarHBondContact O-CB 3.24Å; A864-S868 PolarHBondContact O-N 3Å; S868-Q871 PolarHBondContact O-N 2.92Å; S868-K872 WeakPolarHBondContact O-CG 3.48Å; S868-K872 PolarHBondContact O-N 2.88Å |
| 869 | L | 85.3 | Confident | 87 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -49 | 172.9 | -91.3 | 166.7 | 0 | 0 | 0 | 112.1 | T865 R866 Q871 K872 E873 | T865-L869 WeakPolarHBondContact O-CB 3.29Å; T865-L869 PolarHBondContact O-N 3.5Å; R866-L869 PolarHBondContact O-N 3.05Å; L869-Q871 VanDerWaalsContact C-N 3.29Å; L869-Q871 PolarHBondContact O-N 3.14Å; L869-K872 CarbonylContact O-C 3.52Å; L869-K872 PolarHBondContact O-N 3.43Å; L869-K872 VanDerWaalsContact O-N 3.08Å; L869-E873 WeakPolarHBondContact O-CG 3.38Å; L869-E873 PolarHBondContact O-N 3.34Å |
| 870 | A | 90.3 | Very high | 86.7 | Confident | 55 Ų | 55 | 92.9 Ų | 92.9 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R866 I867 A874 | R866-A870 WeakPolarHBondContact O-CB 3.49Å; R866-A870 PolarHBondContact O-N 3.09Å; I867-A870 PolarHBondContact O-N 3.36Å; A870-A874 WeakPolarHBondContact O-CB 3.38Å; A870-A874 PolarHBondContact O-N 3.14Å |
| 871 | Q | 89.3 | Confident | 86 | Confident | 113 Ų | 113 | 91 Ų | 91 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 171.4 | -74.5 | 175.1 | -0.7 | 0 | 0 | 111.7 | I867 S868 L869 E873 A874 E875 | I867-Q871 WeakPolarHBondContact O-CB 3.46Å; I867-Q871 WeakPolarHBondContact O-CG 3.27Å; I867-Q871 PolarHBondContact O-N 3.08Å; S868-Q871 PolarHBondContact O-N 2.92Å; L869-Q871 VanDerWaalsContact C-N 3.29Å; L869-Q871 PolarHBondContact O-N 3.14Å; Q871-E873 PolarHBondContact O-N 2.71Å; Q871-A874 PolarHBondContact O-N 2.77Å; Q871-E875 WeakPolarHBondContact O-CG 3.47Å; Q871-E875 PolarHBondContact O-N 2.88Å |
| 872 | K | 86.6 | Confident | 85.5 | Confident | 101 Ų | 101 | 95.5 Ų | 95.5 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.5 | -32.7 | 178 | -66.1 | -67.2 | 161.3 | -143.1 | 0 | 113.1 | S868 L869 E875 L876 | S868-K872 WeakPolarHBondContact O-CG 3.48Å; S868-K872 PolarHBondContact O-N 2.88Å; L869-K872 CarbonylContact O-C 3.52Å; L869-K872 PolarHBondContact O-N 3.43Å; L869-K872 VanDerWaalsContact O-N 3.08Å; K872-E875 WeakPolarHBondContact CD-OE2 3.1Å; K872-E875 IonicContact NZ-OE1 3.31Å; K872-E875 PolarHBondContact NZ-OE1 2.78Å; K872-E875 IonicContact NZ-OE2 2.74Å; K872-E875 PolarHBondContact NZ-OE2 2.92Å; K872-L876 WeakPolarHBondContact O-CB 3.49Å; K872-L876 VanDerWaalsContact O-CG 3.32Å; K872-L876 WeakPolarHBondContact O-CG 3.43Å; K872-L876 PolarHBondContact O-N 2.84Å |
| 873 | E | 84.4 | Confident | 84.9 | Confident | 129 Ų | 129 | 98.8 Ų | 98.8 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.4 | -40.7 | 170.5 | -72.1 | -176.9 | 159.5 | 0 | 0 | 111.7 | L869 Q871 L876 E877 | L869-E873 WeakPolarHBondContact O-CG 3.38Å; L869-E873 PolarHBondContact O-N 3.34Å; Q871-E873 PolarHBondContact O-N 2.71Å; E873-L876 PolarHBondContact O-N 2.75Å; E873-E877 PolarHBondContact O-N 3.25Å |
| 874 | A | 88.7 | Confident | 83.9 | Confident | 49 Ų | 49 | 100.8 Ų | 100.8 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A870 Q871 L876 E877 Q878 | A870-A874 WeakPolarHBondContact O-CB 3.38Å; A870-A874 PolarHBondContact O-N 3.14Å; Q871-A874 PolarHBondContact O-N 2.77Å; A874-L876 VanDerWaalsContact C-N 3.34Å; A874-E877 PolarHBondContact O-N 2.84Å; A874-Q878 WeakPolarHBondContact O-CG 3.31Å; A874-Q878 PolarHBondContact O-N 2.84Å |
| 875 | E | 85.4 | Confident | 82.9 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 170.5 | -76.6 | 173.9 | -154.2 | 0 | 0 | 111.2 | Q871 K872 E877 Q878 L879 | Q871-E875 WeakPolarHBondContact O-CG 3.47Å; Q871-E875 PolarHBondContact O-N 2.88Å; K872-E875 WeakPolarHBondContact CD-OE2 3.1Å; K872-E875 IonicContact NZ-OE1 3.31Å; K872-E875 PolarHBondContact NZ-OE1 2.78Å; K872-E875 IonicContact NZ-OE2 2.74Å; K872-E875 PolarHBondContact NZ-OE2 2.92Å; E875-E877 VanDerWaalsContact C-N 3.34Å; E875-E877 PolarHBondContact O-N 3.33Å; E875-Q878 PolarHBondContact O-N 3.31Å; E875-L879 VanDerWaalsContact O-CB 3.3Å; E875-L879 WeakPolarHBondContact O-CB 3.24Å; E875-L879 PolarHBondContact O-N 2.59Å |
| 876 | L | 81.9 | Confident | 81.7 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.2 | -81.5 | 168.2 | 0 | 0 | 0 | 112.6 | K872 E873 A874 L879 K880 | K872-L876 WeakPolarHBondContact O-CB 3.49Å; K872-L876 VanDerWaalsContact O-CG 3.32Å; K872-L876 WeakPolarHBondContact O-CG 3.43Å; K872-L876 PolarHBondContact O-N 2.84Å; E873-L876 PolarHBondContact O-N 2.75Å; A874-L876 VanDerWaalsContact C-N 3.34Å; L876-L879 PolarHBondContact O-N 2.82Å; L876-K880 WeakPolarHBondContact O-CB 3.31Å; L876-K880 WeakPolarHBondContact O-CE 3.23Å; L876-K880 VanDerWaalsContact O-CG 3.26Å; L876-K880 WeakPolarHBondContact O-CG 3.31Å; L876-K880 PolarHBondContact O-N 3.35Å |
| 877 | E | 83.4 | Confident | 79.8 | Confident | 108 Ų | 108 | 98.1 Ų | 98.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.2 | -37.5 | 177.6 | -157.9 | 60.9 | -137.1 | 0 | 0 | 112.2 | E873 A874 E875 L879 K880 S881 | E873-E877 PolarHBondContact O-N 3.25Å; A874-E877 PolarHBondContact O-N 2.84Å; E875-E877 VanDerWaalsContact C-N 3.34Å; E875-E877 PolarHBondContact O-N 3.33Å; E877-L879 VanDerWaalsContact C-N 3.33Å; E877-L879 PolarHBondContact O-N 2.89Å; E877-K880 PolarHBondContact O-N 2.94Å; E877-K880 WeakPolarHBondContact OE2-CE 3.22Å; E877-K880 IonicContact OE2-NZ 3.54Å; E877-K880 PolarHBondContact OE2-NZ 2.88Å; E877-S881 WeakPolarHBondContact O-CB 3.48Å; E877-S881 PolarHBondContact O-N 3.1Å |
| 878 | Q | 83.6 | Confident | 78 | Confident | 148 Ų | 148 | 100.6 Ų | 100.6 | 69% | 0.692 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.8 | -42.5 | 169.2 | -73.6 | -175.7 | 15.7 | 0 | 0 | 111.3 | A874 E875 S881 Y882 | A874-Q878 WeakPolarHBondContact O-CG 3.31Å; A874-Q878 PolarHBondContact O-N 2.84Å; E875-Q878 PolarHBondContact O-N 3.31Å; Q878-S881 PolarHBondContact O-N 3.34Å; Q878-Y882 WeakPolarHBondContact O-CB 3.33Å; Q878-Y882 PolarHBondContact O-N 2.95Å |
| 879 | L | 80.8 | Confident | 76 | Confident | 85 Ų | 85 | 105.6 Ų | 105.6 | 45% | 0.445 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 178.5 | -171.5 | 62.3 | 0 | 0 | 0 | 112.1 | E875 L876 E877 Y882 Y883 | E875-L879 VanDerWaalsContact O-CB 3.3Å; E875-L879 WeakPolarHBondContact O-CB 3.24Å; E875-L879 PolarHBondContact O-N 2.59Å; L876-L879 PolarHBondContact O-N 2.82Å; E877-L879 VanDerWaalsContact C-N 3.33Å; E877-L879 PolarHBondContact O-N 2.89Å; L879-Y882 PolarHBondContact O-N 3.17Å; L879-Y883 HydrophobicContact CD1-CD2 4.09Å; L879-Y883 HydrophobicContact CD1-CE2 3.58Å; L879-Y883 HydrophobicContact CD2-CE2 4.27Å; L879-Y883 HydrophobicContact CG-CD2 3.98Å; L879-Y883 HydrophobicContact CG-CE2 3.7Å; L879-Y883 WeakPolarHBondContact O-CD2 3.49Å; L879-Y883 PolarHBondContact O-N 2.85Å |
| 880 | K | 82.2 | Confident | 73.8 | Confident | 114 Ų | 114 | 109.3 Ų | 109.3 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58 | -48.1 | 169.8 | -77 | 171.8 | -129.7 | 164.1 | 0 | 111.2 | L876 E877 Y882 Y883 L884 | L876-K880 WeakPolarHBondContact O-CB 3.31Å; L876-K880 WeakPolarHBondContact O-CE 3.23Å; L876-K880 VanDerWaalsContact O-CG 3.26Å; L876-K880 WeakPolarHBondContact O-CG 3.31Å; L876-K880 PolarHBondContact O-N 3.35Å; E877-K880 PolarHBondContact O-N 2.94Å; E877-K880 WeakPolarHBondContact OE2-CE 3.22Å; E877-K880 IonicContact OE2-NZ 3.54Å; E877-K880 PolarHBondContact OE2-NZ 2.88Å; K880-Y882 VanDerWaalsContact C-N 3.34Å; K880-Y882 PolarHBondContact O-N 2.7Å; K880-Y883 PolarHBondContact O-N 2.9Å; K880-L884 WeakPolarHBondContact O-CB 3.28Å; K880-L884 PolarHBondContact O-N 3.11Å |
| 881 | S | 76.1 | Confident | 71.5 | Confident | 59 Ų | 59 | 112.8 Ų | 112.8 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -42.2 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | E877 Q878 L884 N885 | E877-S881 WeakPolarHBondContact O-CB 3.48Å; E877-S881 PolarHBondContact O-N 3.1Å; Q878-S881 PolarHBondContact O-N 3.34Å; S881-L884 PolarHBondContact O-N 3.37Å; S881-N885 WeakPolarHBondContact O-CB 3.39Å; S881-N885 PolarHBondContact O-N 2.67Å; S881-N885 PolarHBondContact O-ND2 3.39Å; S881-N885 PolarHBondContact OG-ND2 3.3Å |
| 882 | Y | 77.9 | Confident | 69.2 | Low | 145 Ų | 145 | 113.3 Ų | 113.3 | 57% | 0.569 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.2 | -50.5 | 174.6 | 179.2 | -98.3 | 0 | 0 | 0 | 111.8 | Q878 L879 K880 L884 N885 V886 | Q878-Y882 WeakPolarHBondContact O-CB 3.33Å; Q878-Y882 PolarHBondContact O-N 2.95Å; L879-Y882 PolarHBondContact O-N 3.17Å; K880-Y882 VanDerWaalsContact C-N 3.34Å; K880-Y882 PolarHBondContact O-N 2.7Å; Y882-L884 PolarHBondContact O-N 3.06Å; Y882-N885 PolarHBondContact O-N 2.92Å; Y882-V886 HydrophobicContact CD1-CG2 4.25Å; Y882-V886 HydrophobicContact CD2-CG2 4.36Å; Y882-V886 HydrophobicContact CE1-CG2 3.88Å; Y882-V886 HydrophobicContact CE2-CG2 4.01Å; Y882-V886 HydrophobicContact CG-CG2 4.48Å; Y882-V886 WeakPolarHBondContact O-CB 3.28Å; Y882-V886 VanDerWaalsContact O-CG2 3.25Å; Y882-V886 WeakPolarHBondContact O-CG2 3.32Å; Y882-V886 PolarHBondContact O-N 3.5Å |
| 883 | Y | 72.8 | Confident | 66.9 | Low | 138 Ų | 138 | 111.8 Ų | 111.8 | 54% | 0.541 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.7 | -40.6 | 178.1 | -78.3 | -62.8 | 0 | 0 | 0 | 112.8 | L879 K880 N885 V886 D887 | L879-Y883 HydrophobicContact CD1-CD2 4.09Å; L879-Y883 HydrophobicContact CD1-CE2 3.58Å; L879-Y883 HydrophobicContact CD2-CE2 4.27Å; L879-Y883 HydrophobicContact CG-CD2 3.98Å; L879-Y883 HydrophobicContact CG-CE2 3.7Å; L879-Y883 WeakPolarHBondContact O-CD2 3.49Å; L879-Y883 PolarHBondContact O-N 2.85Å; K880-Y883 PolarHBondContact O-N 2.9Å; Y883-N885 PolarHBondContact O-N 3.17Å; Y883-V886 PolarHBondContact O-N 3.47Å; Y883-V886 VanDerWaalsContact O-N 3.16Å; Y883-D887 PolarHBondContact O-N 3.46Å |
| 884 | L | 68.8 | Low | 64.8 | Low | 128 Ų | 128 | 114 Ų | 114 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.4 | -45.2 | 176.4 | -160.8 | 73 | 0 | 0 | 0 | 111.5 | K880 S881 Y882 V886 D888 | K880-L884 WeakPolarHBondContact O-CB 3.28Å; K880-L884 PolarHBondContact O-N 3.11Å; S881-L884 PolarHBondContact O-N 3.37Å; Y882-L884 PolarHBondContact O-N 3.06Å; L884-V886 VanDerWaalsContact C-N 3.28Å; L884-V886 PolarHBondContact O-N 2.97Å; L884-D888 PolarHBondContact O-N 3.45Å |
| 885 | N | 69.7 | Low | 62.4 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72.1 | -15.4 | 177.1 | -75.7 | -71.8 | 0 | 0 | 0 | 114.4 | S881 Y882 Y883 K889 | S881-N885 WeakPolarHBondContact O-CB 3.39Å; S881-N885 PolarHBondContact O-N 2.67Å; S881-N885 PolarHBondContact O-ND2 3.39Å; S881-N885 PolarHBondContact OG-ND2 3.3Å; Y882-N885 PolarHBondContact O-N 2.92Å; Y883-N885 PolarHBondContact O-N 3.17Å; N885-K889 WeakPolarHBondContact O-CG 3.26Å |
| 886 | V | 60.2 | Low | 60.5 | Low | 48 Ų | 48 | 120.4 Ų | 120.4 | 29% | 0.291 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -92.1 | -36.6 | 178.6 | 164.4 | 0 | 0 | 0 | 0 | 111.8 | Y882 Y883 L884 D888 K889 | Y882-V886 HydrophobicContact CD1-CG2 4.25Å; Y882-V886 HydrophobicContact CD2-CG2 4.36Å; Y882-V886 HydrophobicContact CE1-CG2 3.88Å; Y882-V886 HydrophobicContact CE2-CG2 4.01Å; Y882-V886 HydrophobicContact CG-CG2 4.48Å; Y882-V886 WeakPolarHBondContact O-CB 3.28Å; Y882-V886 VanDerWaalsContact O-CG2 3.25Å; Y882-V886 WeakPolarHBondContact O-CG2 3.32Å; Y882-V886 PolarHBondContact O-N 3.5Å; Y883-V886 PolarHBondContact O-N 3.47Å; Y883-V886 VanDerWaalsContact O-N 3.16Å; L884-V886 VanDerWaalsContact C-N 3.28Å; L884-V886 PolarHBondContact O-N 2.97Å; V886-D888 VanDerWaalsContact C-N 3.34Å; V886-K889 PolarHBondContact O-N 3.03Å; V886-K889 VanDerWaalsContact O-N 3.12Å |
| 887 | D | 50.8 | Low | 58.5 | Low | 102 Ų | 102 | 123 Ų | 123 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.3 | -31.4 | 173 | -78.2 | -19.6 | 0 | 0 | 0 | 111.7 | Y883 K889 R890 | Y883-D887 PolarHBondContact O-N 3.46Å; D887-K889 PolarHBondContact O-N 3.03Å; D887-K889 VanDerWaalsContact O-N 3.15Å; D887-R890 IonicContact OD1-CZ 2.79Å; D887-R890 IonicContact OD1-NE 3.34Å; D887-R890 IonicContact OD1-NH2 3.25Å; D887-R890 PolarHBondContact OD1-NH2 2.92Å |
| 888 | D | 51.1 | Low | 56.3 | Low | 138 Ų | 138 | 125.1 Ų | 125.1 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -5 | 168 | -88.7 | -7.1 | 0 | 0 | 0 | 114.3 | L884 V886 | L884-D888 PolarHBondContact O-N 3.45Å; V886-D888 VanDerWaalsContact C-N 3.34Å |
| 889 | K | 46.8 | Very low | 54.3 | Low | 165 Ų | 165 | 122.4 Ų | 122.4 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 39.8 | -173.3 | -72.1 | -170.6 | 176.6 | 180 | 0 | 115.2 | N885 V886 D887 P891 | N885-K889 WeakPolarHBondContact O-CG 3.26Å; V886-K889 PolarHBondContact O-N 3.03Å; V886-K889 VanDerWaalsContact O-N 3.12Å; D887-K889 PolarHBondContact O-N 3.03Å; D887-K889 VanDerWaalsContact O-N 3.15Å; K889-P891 WeakPolarHBondContact O-CD 3.14Å |
| 890 | R | 40 | Very low | 52.3 | Low | 189 Ų | 189 | 125.2 Ų | 125.2 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | trans | -104.5 | 99.9 | 165.9 | -59.1 | -168.9 | -162.7 | -158.8 | 9.7 | 110.9 | D887 | D887-R890 IonicContact OD1-CZ 2.79Å; D887-R890 IonicContact OD1-NE 3.34Å; D887-R890 IonicContact OD1-NH2 3.25Å; D887-R890 PolarHBondContact OD1-NH2 2.92Å | ||
| 891 | P | 41.2 | Very low | 49.9 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | trans | -85.3 | 153.5 | -171.7 | 34 | -36.3 | 0 | 0 | 0 | 113.7 | K889 | K889-P891 WeakPolarHBondContact O-CD 3.14Š| ||
| 892 | S | 39.7 | Very low | 47.9 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | trans | -143.5 | 150.8 | 163.9 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 893 | G | 40.3 | Very low | 46 | Very low | 69 Ų | 69 | 125.4 Ų | 125.4 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | trans | 87 | 58.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 894 | Q | 39.9 | Very low | 44.3 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | 51 | 141.4 | 133.6 | -72.9 | 176.5 | -85.8 | 0 | 0 | 124.1 | ||||
| 895 | D | 38.7 | Very low | 42.6 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | trans | 89.3 | 127 | 140.3 | -70.9 | 3.8 | 0 | 0 | 0 | 123 | ||||
| 896 | L | 43.7 | Very low | 40.8 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | trans | 66.4 | 143.6 | 168.4 | -77.9 | 76.8 | 0 | 0 | 0 | 119 | ||||
| 897 | K | 41.9 | Very low | 39.7 | Very low | 155 Ų | 155 | 136 Ų | 136 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | cis | -169.1 | 152.4 | -31.5 | -126.3 | -174.4 | 176.6 | -142.3 | 0 | 110.4 | ||||
| 898 | E | 36.4 | Very low | 38.9 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | trans | 50.8 | 98.4 | 149.7 | -71.9 | 158.5 | -158.3 | 0 | 0 | 121.7 | ||||
| 899 | A | 41.9 | Very low | 38.1 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -172.3 | 79.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 900 | T | 37.4 | Very low | 37.6 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | 62.4 | 105.4 | 96.7 | 61.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 901 | G | 31.8 | Very low | 37.5 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 115.1 | 131.6 | 139 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 902 | G | 36 | Very low | 37.2 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 86.5 | 110 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 903 | N | 36.3 | Very low | 36.9 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | cis | 75.1 | 82.4 | 16.1 | -133.1 | 44.7 | 0 | 0 | 0 | 115.3 | ||||
| 904 | L | 37.6 | Very low | 36.5 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -179.3 | 130.7 | 146 | -118.1 | 64.4 | 0 | 0 | 0 | 105.8 | ||||
| 905 | E | 33.2 | Very low | 36.2 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | 57.3 | 120.1 | 55.1 | -111.4 | -157.1 | -135.5 | 0 | 0 | 114.8 | |||||
| 906 | R | 31.8 | Very low | 35.9 | Very low | 212 Ų | 212 | 146.7 Ų | 146.7 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 75.8 | 151.7 | 174.1 | -52.8 | 157 | -159 | -148.1 | -0.2 | 113.4 | ||||
| 907 | S | 36.9 | Very low | 35.6 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -127.5 | 140.4 | 19 | -65 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 908 | K | 35.3 | Very low | 35.4 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -90.4 | 168.5 | 145.9 | -67 | -179.1 | 175.3 | -177.2 | 0 | 108.5 | ||||
| 909 | K | 34.3 | Very low | 35.4 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 67% | 0.665 | 80% | 0.795 | S | S | * | * | trans | 83.2 | 155.2 | 171.5 | -71.1 | -178.2 | 159.5 | -83 | 0 | 117.4 | E912 | K909-E912 IonicContact NZ-OE1 3.19Å; K909-E912 PolarHBondContact NZ-OE1 3.48Å; K909-E912 IonicContact NZ-OE2 3.93Å; K909-E912 PolarHBondContact NZ-OE2 3.22Å | ||
| 910 | Q | 36.1 | Very low | 35.2 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | 68.2 | 122.5 | -172.3 | -54.9 | -176.8 | -76.3 | 0 | 0 | 112.2 | ||||
| 911 | D | 36.8 | Very low | 35.2 | Very low | 167 Ų | 167 | 146 Ų | 146 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | cis | -85.6 | 140.3 | 10.9 | -66 | -53 | 0 | 0 | 0 | 116.1 | ||||
| 912 | E | 34.3 | Very low | 35.6 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | trans | -123.2 | 117.6 | 164 | -76.6 | 176.2 | 162.9 | 0 | 0 | 107.4 | K909 | K909-E912 IonicContact NZ-OE1 3.19Å; K909-E912 PolarHBondContact NZ-OE1 3.48Å; K909-E912 IonicContact NZ-OE2 3.93Å; K909-E912 PolarHBondContact NZ-OE2 3.22Å | ||
| 913 | M | 33.4 | Very low | 36.1 | Very low | 175 Ų | 175 | 152 Ų | 152 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | -127.4 | 79.5 | 173.9 | -172.7 | 59 | 164.2 | 0 | 0 | 110.8 | ||||
| 914 | T | 32.4 | Very low | 36.8 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | 54.8 | 103.7 | 148.6 | -44.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 915 | T | 34.9 | Very low | 37.4 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | -160.7 | 138.8 | 103.4 | -72.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 916 | Q | 32.3 | Very low | 38.6 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -89.8 | 144.3 | 177.5 | -61.6 | 161.7 | -15.3 | 0 | 0 | 110.2 | ||||
| 917 | I | 37.6 | Very low | 40.5 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -152.4 | 139.4 | 138.3 | -95.1 | 136.8 | 0 | 0 | 0 | 106.6 | ||||
| 918 | S | 37 | Very low | 42.3 | Very low | 91 Ų | 91 | 141 Ų | 141 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -116.6 | 148.1 | -170.4 | 52.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 919 | D | 35.5 | Very low | 44.4 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | 63.7 | 147.5 | 156.5 | -60.7 | -45.3 | 0 | 0 | 0 | 120.2 | ||||
| 920 | S | 37.9 | Very low | 46.8 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | 34.2 | 122.1 | 154.4 | 57.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 921 | D | 38.7 | Very low | 49.1 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | -152 | 172.3 | 70.2 | -138 | -29.3 | 0 | 0 | 0 | 115.2 | |||||
| 922 | A | 39.3 | Very low | 51.5 | Low | 88 Ų | 88 | 124.8 Ų | 124.8 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -67.5 | 140.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 923 | K | 46.7 | Very low | 54 | Low | 199 Ų | 199 | 121.3 Ų | 121.3 | 87% | 0.865 | 67% | 0.665 | S | S | * | * | trans | -146.1 | 162.8 | 161.9 | -108.7 | 161.1 | -173.1 | 174.2 | 0 | 109.6 | ||||
| 924 | P | 51.5 | Low | 56.7 | Low | 92 Ų | 92 | 113.5 Ų | 113.5 | 60% | 0.597 | 63% | 0.627 | S | S | * | * | trans | -69 | 155.2 | -148.1 | 25.3 | -35.1 | 0 | 0 | 0 | 114.7 | M926 | P924-M926 PolarHBondContact O-N 3.41Å; P924-M926 VanDerWaalsContact O-N 3.14Å | ||
| 925 | V | 50.4 | Low | 59.4 | Low | 147 Ų | 147 | 111.1 Ų | 111.1 | 89% | 0.891 | 61% | 0.612 | S | S | * | * | trans | -72.7 | 102.7 | 172.4 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 926 | M | 58.5 | Low | 62.1 | Low | 49 Ų | 49 | 111.8 Ų | 111.8 | 24% | 0.241 | 60% | 0.6 | C | S | . | * | trans | -58.6 | 143 | 167.5 | -63.2 | -71.7 | -83.9 | 0 | 0 | 110.2 | P924 E928 V930 E931 I934 A971 | P924-M926 PolarHBondContact O-N 3.41Å; P924-M926 VanDerWaalsContact O-N 3.14Å; M926-E928 PolarHBondContact O-N 3.36Å; M926-V930 HydrophobicContact CE-CG1 4.25Å; M926-E931 HydrophobicContact CB-CB 4.13Å; M926-E931 HydrophobicContact CE-CB 4.18Å; M926-I934 HydrophobicContact CE-CD1 3.53Å; M926-A971 HydrophobicContact CE-CB 3.89Å; M926-A971 HydrophobicContact SD-CB 3.36Å; M926-A971 WeakPolarHBondContact SD-CB 3.15Å | ||
| 927 | D | 70.4 | Confident | 65.1 | Low | 94 Ų | 94 | 103.3 Ų | 103.3 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | trans | -66.3 | 123.7 | 157.6 | -178.5 | -19 | 0 | 0 | 0 | 107.1 | K929 V930 E931 | D927-K929 PolarHBondContact O-N 3.19Å; D927-K929 WeakPolarHBondContact OD1-CB 3.33Å; D927-K929 PolarHBondContact OD1-N 3.45Å; D927-V930 HydrophobicContact CB-CB 4.25Å; D927-V930 HydrophobicContact CB-CG2 3.96Å; D927-V930 WeakPolarHBondContact O-CA 3.38Å; D927-V930 WeakPolarHBondContact O-CB 3.28Å; D927-V930 PolarHBondContact O-N 3.49Å; D927-E931 PolarHBondContact O-N 2.87Å | ||
| 928 | E | 75.7 | Confident | 67.7 | Low | 168 Ų | 168 | 97.8 Ų | 97.8 | 79% | 0.785 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -52.6 | -28.5 | -178.1 | -169.9 | 177.3 | -149.9 | 0 | 0 | 112.1 | M926 A932 | M926-E928 PolarHBondContact O-N 3.36Å; E928-A932 VanDerWaalsContact O-CB 3.3Å; E928-A932 WeakPolarHBondContact O-CB 3.15Å; E928-A932 PolarHBondContact O-N 3.01Å |
| 929 | K | 79.6 | Confident | 70.3 | Confident | 168 Ų | 168 | 99.7 Ų | 99.7 | 73% | 0.73 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -73.7 | -34.5 | 173.1 | -68.5 | 175.6 | 178.9 | 170.9 | 0 | 113.9 | D927 Q933 | D927-K929 PolarHBondContact O-N 3.19Å; D927-K929 WeakPolarHBondContact OD1-CB 3.33Å; D927-K929 PolarHBondContact OD1-N 3.45Å; K929-Q933 WeakPolarHBondContact O-CB 3.48Å; K929-Q933 PolarHBondContact O-N 3.28Å |
| 930 | V | 84.4 | Confident | 73 | Confident | 27 Ų | 27 | 96.8 Ų | 96.8 | 16% | 0.164 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -72.9 | -41.6 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | M926 D927 Q933 I934 F967 | M926-V930 HydrophobicContact CE-CG1 4.25Å; D927-V930 HydrophobicContact CB-CB 4.25Å; D927-V930 HydrophobicContact CB-CG2 3.96Å; D927-V930 WeakPolarHBondContact O-CA 3.38Å; D927-V930 WeakPolarHBondContact O-CB 3.28Å; D927-V930 PolarHBondContact O-N 3.49Å; V930-Q933 PolarHBondContact O-N 3.34Å; V930-I934 HydrophobicContact CG1-CD1 3.81Å; V930-I934 WeakPolarHBondContact O-CD1 3.36Å; V930-I934 VanDerWaalsContact O-CG1 3.29Å; V930-I934 WeakPolarHBondContact O-CG1 3.44Å; V930-I934 PolarHBondContact O-N 3.03Å; V930-F967 HydrophobicContact CG1-CB 4.42Å; V930-F967 HydrophobicContact CG1-CD1 4.31Å |
| 931 | E | 84.5 | Confident | 75.7 | Confident | 105 Ų | 105 | 94 Ų | 94 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 174.2 | -169.8 | 165.1 | -161.4 | 0 | 0 | 111.4 | M926 D927 Q933 I934 T935 | M926-E931 HydrophobicContact CB-CB 4.13Å; M926-E931 HydrophobicContact CE-CB 4.18Å; D927-E931 PolarHBondContact O-N 2.87Å; E931-Q933 VanDerWaalsContact C-N 3.27Å; E931-Q933 PolarHBondContact O-N 3.01Å; E931-I934 PolarHBondContact O-N 2.88Å; E931-T935 PolarHBondContact O-N 3.08Å; E931-T935 PolarHBondContact O-OG1 3.48Å |
| 932 | A | 85.7 | Confident | 78.2 | Confident | 62 Ų | 62 | 89 Ų | 89 | 51% | 0.512 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.3 | -34.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E928 R936 | E928-A932 VanDerWaalsContact O-CB 3.3Å; E928-A932 WeakPolarHBondContact O-CB 3.15Å; E928-A932 PolarHBondContact O-N 3.01Å; A932-R936 WeakPolarHBondContact O-CB 3.31Å; A932-R936 PolarHBondContact O-N 2.94Å |
| 933 | Q | 86.9 | Confident | 80.6 | Confident | 64 Ų | 64 | 86.7 Ų | 86.7 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.1 | -35.3 | 175.4 | -175 | 62.2 | 41.3 | 0 | 0 | 112.2 | K929 V930 E931 L937 F967 | K929-Q933 WeakPolarHBondContact O-CB 3.48Å; K929-Q933 PolarHBondContact O-N 3.28Å; V930-Q933 PolarHBondContact O-N 3.34Å; E931-Q933 VanDerWaalsContact C-N 3.27Å; E931-Q933 PolarHBondContact O-N 3.01Å; Q933-L937 HydrophobicContact CG-CD1 4.27Å; Q933-L937 WeakPolarHBondContact O-CB 3.45Å; Q933-L937 VanDerWaalsContact O-CG 3.26Å; Q933-L937 WeakPolarHBondContact O-CG 3.34Å; Q933-L937 PolarHBondContact O-N 3.26Å; Q933-F967 HydrophobicContact CG-CD2 4.38Å; Q933-F967 HydrophobicContact CG-CE1 4.28Å; Q933-F967 HydrophobicContact CG-CE2 4.02Å; Q933-F967 HydrophobicContact CG-CZ 3.96Å |
| 934 | I | 90.5 | Very high | 82.7 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 6% | 0.062 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.6 | -46.9 | 173.9 | -71.4 | 160.9 | 0 | 0 | 0 | 110.5 | M926 V930 E931 R936 L937 I938 F967 L968 | M926-I934 HydrophobicContact CE-CD1 3.53Å; V930-I934 HydrophobicContact CG1-CD1 3.81Å; V930-I934 WeakPolarHBondContact O-CD1 3.36Å; V930-I934 VanDerWaalsContact O-CG1 3.29Å; V930-I934 WeakPolarHBondContact O-CG1 3.44Å; V930-I934 PolarHBondContact O-N 3.03Å; E931-I934 PolarHBondContact O-N 2.88Å; I934-R936 VanDerWaalsContact C-N 3.31Å; I934-R936 PolarHBondContact O-N 2.69Å; I934-L937 PolarHBondContact O-N 2.99Å; I934-I938 HydrophobicContact CG2-CD1 3.71Å; I934-I938 HydrophobicContact CG2-CG1 4.42Å; I934-I938 WeakPolarHBondContact O-CG1 3.36Å; I934-I938 PolarHBondContact O-N 3.05Å; I934-F967 HydrophobicContact CD1-CB 3.87Å; I934-F967 HydrophobicContact CG1-CB 3.53Å; I934-F967 HydrophobicContact CG1-CG 4.48Å; I934-L968 HydrophobicContact CD1-CD2 3.98Å; I934-L968 HydrophobicContact CD1-CG 4.25Å; I934-L968 HydrophobicContact CG2-CD2 4.4Å |
| 935 | T | 89.4 | Confident | 84.6 | Confident | 66 Ų | 66 | 76.4 Ų | 76.4 | 41% | 0.405 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.9 | -49.2 | 175 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | E931 L937 I938 E939 | E931-T935 PolarHBondContact O-N 3.08Å; E931-T935 PolarHBondContact O-OG1 3.48Å; T935-L937 PolarHBondContact O-N 3.45Å; T935-I938 PolarHBondContact O-N 2.92Å; T935-E939 WeakPolarHBondContact O-CG 3.4Å; T935-E939 PolarHBondContact O-N 3.44Å |
| 936 | R | 92.2 | Very high | 86.3 | Confident | 144 Ų | 144 | 76.2 Ų | 76.2 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 176.5 | 179.2 | -177.6 | 165.7 | 176.7 | -0 | 112.9 | A932 I934 I938 E939 E940 | A932-R936 WeakPolarHBondContact O-CB 3.31Å; A932-R936 PolarHBondContact O-N 2.94Å; I934-R936 VanDerWaalsContact C-N 3.31Å; I934-R936 PolarHBondContact O-N 2.69Å; R936-I938 VanDerWaalsContact C-N 3.31Å; R936-I938 PolarHBondContact O-N 3.34Å; R936-E939 PolarHBondContact O-N 2.87Å; R936-E940 IonicContact NE-OE2 2.65Å; R936-E940 IonicContact NH2-OE2 2.67Å; R936-E940 VanDerWaalsContact O-CB 3.29Å; R936-E940 WeakPolarHBondContact O-CB 3.34Å; R936-E940 PolarHBondContact O-N 2.88Å |
| 937 | L | 94.4 | Very high | 87.6 | Confident | 4 Ų | 4 | 77.6 Ų | 77.6 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.1 | -33.3 | 179.7 | -74.2 | 166.9 | 0 | 0 | 0 | 112.3 | Q933 I934 T935 R941 L960 Q963 I964 F967 | Q933-L937 HydrophobicContact CG-CD1 4.27Å; Q933-L937 WeakPolarHBondContact O-CB 3.45Å; Q933-L937 VanDerWaalsContact O-CG 3.26Å; Q933-L937 WeakPolarHBondContact O-CG 3.34Å; Q933-L937 PolarHBondContact O-N 3.26Å; I934-L937 PolarHBondContact O-N 2.99Å; T935-L937 PolarHBondContact O-N 3.45Å; L937-R941 WeakPolarHBondContact O-CB 3.23Å; L937-R941 PolarHBondContact O-N 3.42Å; L937-L960 HydrophobicContact CD2-CD2 3.65Å; L937-Q963 HydrophobicContact CD1-CB 4.07Å; L937-Q963 HydrophobicContact CD2-CB 4.45Å; L937-I964 HydrophobicContact CB-CD1 4.25Å; L937-I964 HydrophobicContact CB-CG1 3.62Å; L937-F967 HydrophobicContact CD1-CD2 3.54Å; L937-F967 HydrophobicContact CD1-CE2 3.78Å |
| 938 | I | 92.3 | Very high | 88.3 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 30% | 0.297 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.7 | -47 | 172.8 | -71.6 | 169.6 | 0 | 0 | 0 | 110.4 | I934 T935 R936 E940 R941 D942 I964 | I934-I938 HydrophobicContact CG2-CD1 3.71Å; I934-I938 HydrophobicContact CG2-CG1 4.42Å; I934-I938 WeakPolarHBondContact O-CG1 3.36Å; I934-I938 PolarHBondContact O-N 3.05Å; T935-I938 PolarHBondContact O-N 2.92Å; R936-I938 VanDerWaalsContact C-N 3.31Å; R936-I938 PolarHBondContact O-N 3.34Å; I938-E940 VanDerWaalsContact C-N 3.29Å; I938-E940 PolarHBondContact O-N 3.2Å; I938-R941 PolarHBondContact O-N 3.05Å; I938-D942 WeakPolarHBondContact CG2-OD2 3.44Å; I938-D942 VanDerWaalsContact O-CB 3.32Å; I938-D942 WeakPolarHBondContact O-CB 3.42Å; I938-D942 VanDerWaalsContact O-CG 3.31Å; I938-D942 PolarHBondContact O-N 3.21Å; I938-I964 HydrophobicContact CG1-CD1 3.99Å; I938-I964 HydrophobicContact CG1-CG1 4.34Å; I938-I964 HydrophobicContact CG1-CG2 4.37Å |
| 939 | E | 92.6 | Very high | 88.9 | Confident | 132 Ų | 132 | 73.7 Ų | 73.7 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.8 | -37.6 | 174.1 | -72.1 | 173.8 | 171 | 0 | 0 | 112.3 | T935 R936 G943 | T935-E939 WeakPolarHBondContact O-CG 3.4Å; T935-E939 PolarHBondContact O-N 3.44Å; R936-E939 PolarHBondContact O-N 2.87Å; E939-G943 WeakPolarHBondContact O-CA 3.44Å; E939-G943 PolarHBondContact O-N 3.24Å |
| 940 | E | 91.7 | Very high | 89.3 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.2 | -45.2 | 177.5 | -165 | 165.2 | 155.8 | 0 | 0 | 111.3 | R936 I938 L944 | R936-E940 IonicContact NE-OE2 2.65Å; R936-E940 IonicContact NH2-OE2 2.67Å; R936-E940 VanDerWaalsContact O-CB 3.29Å; R936-E940 WeakPolarHBondContact O-CB 3.34Å; R936-E940 PolarHBondContact O-N 2.88Å; I938-E940 VanDerWaalsContact C-N 3.29Å; I938-E940 PolarHBondContact O-N 3.2Å; E940-L944 WeakPolarHBondContact O-CB 3.44Å; E940-L944 WeakPolarHBondContact O-CD1 3.24Å; E940-L944 VanDerWaalsContact O-CG 3.22Å; E940-L944 WeakPolarHBondContact O-CG 3.29Å; E940-L944 PolarHBondContact O-N 2.79Å |
| 941 | R | 93.5 | Very high | 89.5 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 19% | 0.185 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.1 | -50.4 | 173.6 | -176.1 | -159.6 | 66.2 | -155.3 | -8.9 | 111.9 | L937 I938 G943 L944 L945 I957 L960 D961 I964 | L937-R941 WeakPolarHBondContact O-CB 3.23Å; L937-R941 PolarHBondContact O-N 3.42Å; I938-R941 PolarHBondContact O-N 3.05Å; R941-G943 VanDerWaalsContact C-N 3.34Å; R941-L944 PolarHBondContact O-N 2.9Å; R941-L945 HydrophobicContact CG-CD1 4.11Å; R941-L945 WeakPolarHBondContact O-CG 3.34Å; R941-L945 PolarHBondContact O-N 2.61Å; R941-I957 HydrophobicContact CG-CD1 4.43Å; R941-I957 HydrophobicContact CG-CG2 4.23Å; R941-L960 HydrophobicContact CB-CB 4.43Å; R941-L960 HydrophobicContact CB-CD1 4.3Å; R941-D961 VanDerWaalsContact CD-OD1 3.3Å; R941-D961 WeakPolarHBondContact CD-OD1 3.43Å; R941-D961 IonicContact NH1-OD1 3.33Å; R941-D961 PolarHBondContact NH1-OD1 2.7Å; R941-I964 HydrophobicContact CB-CD1 4.24Å |
| 942 | D | 91.9 | Very high | 89.7 | Confident | 56 Ų | 56 | 75.5 Ų | 75.5 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.6 | -30.4 | -175.4 | -65.6 | -15 | 0 | 0 | 0 | 110.9 | I938 N946 | I938-D942 WeakPolarHBondContact CG2-OD2 3.44Å; I938-D942 VanDerWaalsContact O-CB 3.32Å; I938-D942 WeakPolarHBondContact O-CB 3.42Å; I938-D942 VanDerWaalsContact O-CG 3.31Å; I938-D942 PolarHBondContact O-N 3.21Å; D942-N946 WeakPolarHBondContact O-CB 3.49Å; D942-N946 PolarHBondContact O-N 2.94Å; D942-N946 PolarHBondContact O-ND2 3.21Å |
| 943 | G | 90 | Very high | 89.9 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E939 R941 N946 T947 | E939-G943 WeakPolarHBondContact O-CA 3.44Å; E939-G943 PolarHBondContact O-N 3.24Å; R941-G943 VanDerWaalsContact C-N 3.34Å; G943-N946 PolarHBondContact O-N 3.36Å; G943-T947 WeakPolarHBondContact O-CG2 3.2Å; G943-T947 PolarHBondContact O-N 3.16Å |
| 944 | L | 90 | Very high | 90 | Very high | 34 Ų | 34 | 76.6 Ų | 76.6 | 18% | 0.178 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 176.9 | -71.5 | 164.1 | 0 | 0 | 0 | 112.2 | E940 R941 N946 T947 Y950 L956 I957 L960 | E940-L944 WeakPolarHBondContact O-CB 3.44Å; E940-L944 WeakPolarHBondContact O-CD1 3.24Å; E940-L944 VanDerWaalsContact O-CG 3.22Å; E940-L944 WeakPolarHBondContact O-CG 3.29Å; E940-L944 PolarHBondContact O-N 2.79Å; R941-L944 PolarHBondContact O-N 2.9Å; L944-N946 VanDerWaalsContact C-N 3.34Å; L944-N946 PolarHBondContact O-N 2.99Å; L944-T947 WeakPolarHBondContact O-CB 3.45Å; L944-T947 PolarHBondContact O-N 3.25Å; L944-T947 VanDerWaalsContact O-N 3.1Å; L944-T947 PolarHBondContact O-OG1 3.48Å; L944-Y950 HydrophobicContact CB-CD2 3.99Å; L944-Y950 HydrophobicContact CB-CE2 4.46Å; L944-Y950 HydrophobicContact CB-CG 4.43Å; L944-Y950 HydrophobicContact CD2-CD2 3.91Å; L944-Y950 HydrophobicContact CD2-CE2 3.49Å; L944-Y950 VanDerWaalsContact CD2-CE2 3.49Å; L944-L956 HydrophobicContact CD1-CD2 3.86Å; L944-L956 HydrophobicContact CD1-CG 4.29Å; L944-L956 HydrophobicContact CD2-CD2 4.39Å; L944-I957 HydrophobicContact CB-CD1 3.78Å; L944-I957 HydrophobicContact CD1-CD1 4.22Å; L944-L960 HydrophobicContact CD1-CD1 3.45Å; L944-L960 VanDerWaalsContact CD1-CD1 3.45Å |
| 945 | L | 91 | Very high | 90 | Very high | 41 Ų | 41 | 80.1 Ų | 80.1 | 22% | 0.215 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 176 | -69.5 | 171.6 | 0 | 0 | 0 | 111.7 | R941 T947 G948 I957 | R941-L945 HydrophobicContact CG-CD1 4.11Å; R941-L945 WeakPolarHBondContact O-CG 3.34Å; R941-L945 PolarHBondContact O-N 2.61Å; L945-T947 PolarHBondContact O-N 2.94Å; L945-T947 VanDerWaalsContact O-N 3.16Å; L945-G948 PolarHBondContact O-N 3.47Å; L945-G948 VanDerWaalsContact O-N 3.07Å; L945-I957 HydrophobicContact CD2-CD1 4.16Å; L945-I957 HydrophobicContact CD2-CG1 4.13Å; L945-I957 HydrophobicContact CD2-CG2 4.31Å; L945-I957 HydrophobicContact CG-CD1 4.13Å |
| 946 | N | 88 | Confident | 90 | Very high | 143 Ų | 143 | 80.9 Ų | 80.9 | 77% | 0.765 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.9 | 175.5 | -78.4 | -47.9 | 0 | 0 | 0 | 114.4 | D942 G943 L944 G948 | D942-N946 WeakPolarHBondContact O-CB 3.49Å; D942-N946 PolarHBondContact O-N 2.94Å; D942-N946 PolarHBondContact O-ND2 3.21Å; G943-N946 PolarHBondContact O-N 3.36Å; L944-N946 VanDerWaalsContact C-N 3.34Å; L944-N946 PolarHBondContact O-N 2.99Å; N946-G948 VanDerWaalsContact C-N 3.25Å; N946-G948 PolarHBondContact O-N 2.92Å |
| 947 | T | 85.6 | Confident | 90.1 | Very high | 78 Ų | 78 | 74.2 Ų | 74.2 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.7 | 169.8 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | G943 L944 L945 V949 | G943-T947 WeakPolarHBondContact O-CG2 3.2Å; G943-T947 PolarHBondContact O-N 3.16Å; L944-T947 WeakPolarHBondContact O-CB 3.45Å; L944-T947 PolarHBondContact O-N 3.25Å; L944-T947 VanDerWaalsContact O-N 3.1Å; L944-T947 PolarHBondContact O-OG1 3.48Å; L945-T947 PolarHBondContact O-N 2.94Å; L945-T947 VanDerWaalsContact O-N 3.16Å; T947-V949 PolarHBondContact O-N 2.88Å; T947-V949 WeakPolarHBondContact OG1-CB 3.41Å; T947-V949 PolarHBondContact OG1-N 3.38Å |
| 948 | G | 84 | Confident | 90 | Very high | 71 Ų | 71 | 77.4 Ų | 77.4 | 73% | 0.732 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 7.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L945 N946 | L945-G948 PolarHBondContact O-N 3.47Å; L945-G948 VanDerWaalsContact O-N 3.07Å; N946-G948 VanDerWaalsContact C-N 3.25Å; N946-G948 PolarHBondContact O-N 2.92Å |
| 949 | V | 87.8 | Confident | 89.9 | Confident | 108 Ų | 108 | 77.7 Ų | 77.7 | 66% | 0.655 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -95.1 | -24.6 | 178 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | T947 | T947-V949 PolarHBondContact O-N 2.88Å; T947-V949 WeakPolarHBondContact OG1-CB 3.41Å; T947-V949 PolarHBondContact OG1-N 3.38Å |
| 950 | Y | 89.1 | Confident | 90 | Very high | 82 Ų | 82 | 71.6 Ų | 71.6 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | trans | -110.6 | 136.8 | -177.4 | -66 | -86.4 | 0 | 0 | 0 | 111.7 | L944 D954 L956 I957 | L944-Y950 HydrophobicContact CB-CD2 3.99Å; L944-Y950 HydrophobicContact CB-CE2 4.46Å; L944-Y950 HydrophobicContact CB-CG 4.43Å; L944-Y950 HydrophobicContact CD2-CD2 3.91Å; L944-Y950 HydrophobicContact CD2-CE2 3.49Å; L944-Y950 VanDerWaalsContact CD2-CE2 3.49Å; Y950-D954 WeakPolarHBondContact CA-OD2 3.48Å; Y950-D954 HydrophobicContact CD1-CB 4.28Å; Y950-L956 HydrophobicContact CE1-CB 4.42Å; Y950-L956 HydrophobicContact CE1-CD2 3.78Å; Y950-I957 HydrophobicContact CG-CD1 4.46Å; Y950-I957 HydrophobicContact CG-CG1 4.48Å | ||
| 951 | E | 88.7 | Confident | 90 | Very high | 128 Ų | 128 | 69.5 Ų | 69.5 | 60% | 0.598 | 41% | 0.406 | S | S | * | . | trans | -98.4 | 161.1 | 168.7 | -67.4 | -169.8 | 171.5 | 0 | 0 | 111.6 | S953 D954 I957 | E951-S953 PolarHBondContact O-N 3.5Å; E951-S953 PolarHBondContact OE2-OG 2.9Å; E951-S953 VanDerWaalsContact OE2-OG 3.06Å; E951-D954 PolarHBondContact N-OD2 2.65Å; E951-D954 PolarHBondContact O-N 2.91Å; E951-I957 WeakPolarHBondContact O-CG1 3.47Å | ||
| 952 | N | 89.1 | Confident | 89.9 | Confident | 128 Ų | 128 | 75.4 Ų | 75.4 | 68% | 0.684 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -14 | 169.5 | -63.4 | 79.4 | 0 | 0 | 0 | 113.9 | ||
| 953 | S | 88.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 76.9 Ų | 76.9 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -24.5 | 176.1 | -35.3 | 0 | 0 | 0 | 0 | 113.9 | E951 | E951-S953 PolarHBondContact O-N 3.5Å; E951-S953 PolarHBondContact OE2-OG 2.9Å; E951-S953 VanDerWaalsContact OE2-OG 3.06Å |
| 954 | D | 89.7 | Confident | 89.9 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 34% | 0.337 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -73.1 | 140.8 | -167 | -79 | -49.5 | 0 | 0 | 0 | 112.8 | Y950 E951 L956 I957 V958 | Y950-D954 WeakPolarHBondContact CA-OD2 3.48Å; Y950-D954 HydrophobicContact CD1-CB 4.28Å; E951-D954 PolarHBondContact N-OD2 2.65Å; E951-D954 PolarHBondContact O-N 2.91Å; D954-L956 PolarHBondContact O-N 3.35Å; D954-L956 VanDerWaalsContact O-N 3.07Å; D954-I957 HydrophobicContact CB-CG1 4.37Å; D954-I957 PolarHBondContact O-N 3.44Å; D954-V958 WeakPolarHBondContact O-CG2 3.4Å; D954-V958 PolarHBondContact O-N 3.47Å |
| 955 | S | 90.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 80.7 Ų | 80.7 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -54.8 | -34.7 | -177 | -163.7 | 0 | 0 | 0 | 0 | 113 | D959 | S955-D959 VanDerWaalsContact O-CB 3.32Å; S955-D959 WeakPolarHBondContact O-CB 3.34Å; S955-D959 PolarHBondContact O-N 2.94Å |
| 956 | L | 89.6 | Confident | 89.8 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 177.4 | -175.4 | 65.4 | 0 | 0 | 0 | 112 | L944 Y950 D954 D959 L960 | L944-L956 HydrophobicContact CD1-CD2 3.86Å; L944-L956 HydrophobicContact CD1-CG 4.29Å; L944-L956 HydrophobicContact CD2-CD2 4.39Å; Y950-L956 HydrophobicContact CE1-CB 4.42Å; Y950-L956 HydrophobicContact CE1-CD2 3.78Å; D954-L956 PolarHBondContact O-N 3.35Å; D954-L956 VanDerWaalsContact O-N 3.07Å; L956-D959 PolarHBondContact O-N 2.9Å; L956-L960 WeakPolarHBondContact O-CB 3.46Å; L956-L960 WeakPolarHBondContact O-CG 3.24Å; L956-L960 PolarHBondContact O-N 3.34Å |
| 957 | I | 93.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 79.9 Ų | 79.9 | 2% | 0.015 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 175.7 | -59.3 | -57.7 | 0 | 0 | 0 | 109.8 | R941 L944 L945 Y950 E951 D954 D959 L960 D961 | R941-I957 HydrophobicContact CG-CD1 4.43Å; R941-I957 HydrophobicContact CG-CG2 4.23Å; L944-I957 HydrophobicContact CB-CD1 3.78Å; L944-I957 HydrophobicContact CD1-CD1 4.22Å; L945-I957 HydrophobicContact CD2-CD1 4.16Å; L945-I957 HydrophobicContact CD2-CG1 4.13Å; L945-I957 HydrophobicContact CD2-CG2 4.31Å; L945-I957 HydrophobicContact CG-CD1 4.13Å; Y950-I957 HydrophobicContact CG-CD1 4.46Å; Y950-I957 HydrophobicContact CG-CG1 4.48Å; E951-I957 WeakPolarHBondContact O-CG1 3.47Å; D954-I957 HydrophobicContact CB-CG1 4.37Å; D954-I957 PolarHBondContact O-N 3.44Å; I957-D959 PolarHBondContact O-N 3.47Å; I957-L960 PolarHBondContact O-N 2.95Å; I957-D961 WeakPolarHBondContact O-CB 3.36Å; I957-D961 PolarHBondContact O-N 3.49Å |
| 958 | V | 92.7 | Very high | 89.7 | Confident | 72 Ų | 72 | 80.6 Ų | 80.6 | 44% | 0.436 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | D954 D961 R962 | D954-V958 WeakPolarHBondContact O-CG2 3.4Å; D954-V958 PolarHBondContact O-N 3.47Å; V958-D961 PolarHBondContact O-N 3.33Å; V958-R962 WeakPolarHBondContact O-CB 3.42Å; V958-R962 PolarHBondContact O-N 2.99Å |
| 959 | D | 91.6 | Very high | 89.7 | Confident | 63 Ų | 63 | 85 Ų | 85 | 34% | 0.337 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74 | -29.9 | 175.9 | -82.6 | -44.8 | 0 | 0 | 0 | 113 | S955 L956 I957 R962 Q963 | S955-D959 VanDerWaalsContact O-CB 3.32Å; S955-D959 WeakPolarHBondContact O-CB 3.34Å; S955-D959 PolarHBondContact O-N 2.94Å; L956-D959 PolarHBondContact O-N 2.9Å; I957-D959 PolarHBondContact O-N 3.47Å; D959-R962 IonicContact OD1-NH1 3.7Å; D959-Q963 WeakPolarHBondContact O-CB 3.44Å; D959-Q963 VanDerWaalsContact O-CG 3.32Å; D959-Q963 WeakPolarHBondContact O-CG 3.37Å; D959-Q963 PolarHBondContact O-N 3.42Å; D959-Q963 PolarHBondContact O-NE2 2.9Å |
| 960 | L | 92.8 | Very high | 89 | Confident | 5 Ų | 5 | 86 Ų | 86 | 3% | 0.026 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.5 | -47.4 | 168.1 | -77.9 | 170.8 | 0 | 0 | 0 | 111 | L937 R941 L944 L956 I957 R962 Q963 I964 | L937-L960 HydrophobicContact CD2-CD2 3.65Å; R941-L960 HydrophobicContact CB-CB 4.43Å; R941-L960 HydrophobicContact CB-CD1 4.3Å; L944-L960 HydrophobicContact CD1-CD1 3.45Å; L944-L960 VanDerWaalsContact CD1-CD1 3.45Å; L956-L960 WeakPolarHBondContact O-CB 3.46Å; L956-L960 WeakPolarHBondContact O-CG 3.24Å; L956-L960 PolarHBondContact O-N 3.34Å; I957-L960 PolarHBondContact O-N 2.95Å; L960-R962 PolarHBondContact O-N 3.34Å; L960-Q963 CarbonylContact O-C 3.6Å; L960-Q963 PolarHBondContact O-N 2.95Å; L960-I964 WeakPolarHBondContact O-CB 3.34Å; L960-I964 VanDerWaalsContact O-CG1 3.27Å; L960-I964 WeakPolarHBondContact O-CG1 3.38Å; L960-I964 PolarHBondContact O-N 2.93Å |
| 961 | D | 91.8 | Very high | 87.8 | Confident | 41 Ų | 41 | 85.3 Ų | 85.3 | 22% | 0.219 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.3 | -30.3 | 177 | -128.3 | 46.8 | 0 | 0 | 0 | 111.7 | R941 I957 V958 R965 | R941-D961 VanDerWaalsContact CD-OD1 3.3Å; R941-D961 WeakPolarHBondContact CD-OD1 3.43Å; R941-D961 IonicContact NH1-OD1 3.33Å; R941-D961 PolarHBondContact NH1-OD1 2.7Å; I957-D961 WeakPolarHBondContact O-CB 3.36Å; I957-D961 PolarHBondContact O-N 3.49Å; V958-D961 PolarHBondContact O-N 3.33Å; D961-R965 WeakPolarHBondContact O-CB 3.37Å; D961-R965 WeakPolarHBondContact O-CG 3.39Å; D961-R965 PolarHBondContact O-N 3.06Å; D961-R965 PolarHBondContact O-NE 3.28Å; D961-R965 IonicContact OD2-CZ 2.69Å; D961-R965 IonicContact OD2-NE 3.36Å; D961-R965 IonicContact OD2-NH2 2.79Å; D961-R965 PolarHBondContact OD2-NH2 3.36Å |
| 962 | R | 92.4 | Very high | 87.7 | Confident | 173 Ų | 173 | 83.2 Ų | 83.2 | 65% | 0.653 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -72.7 | -37.4 | 171.1 | -175.1 | -178.2 | 179.7 | -158 | 1 | 112.7 | V958 D959 L960 Y966 | V958-R962 WeakPolarHBondContact O-CB 3.42Å; V958-R962 PolarHBondContact O-N 2.99Å; D959-R962 IonicContact OD1-NH1 3.7Å; L960-R962 PolarHBondContact O-N 3.34Å; R962-Y966 WeakPolarHBondContact O-CB 3.49Å; R962-Y966 PolarHBondContact O-N 3.48Å |
| 963 | Q | 90.3 | Very high | 87.7 | Confident | 87 Ų | 87 | 80.8 Ų | 80.8 | 41% | 0.407 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69 | -44 | 172.6 | -78.1 | 175.3 | 83.3 | 0 | 0 | 111.5 | L937 D959 L960 R965 Y966 F967 | L937-Q963 HydrophobicContact CD1-CB 4.07Å; L937-Q963 HydrophobicContact CD2-CB 4.45Å; D959-Q963 WeakPolarHBondContact O-CB 3.44Å; D959-Q963 VanDerWaalsContact O-CG 3.32Å; D959-Q963 WeakPolarHBondContact O-CG 3.37Å; D959-Q963 PolarHBondContact O-N 3.42Å; D959-Q963 PolarHBondContact O-NE2 2.9Å; L960-Q963 CarbonylContact O-C 3.6Å; L960-Q963 PolarHBondContact O-N 2.95Å; Q963-R965 VanDerWaalsContact C-N 3.32Å; Q963-R965 PolarHBondContact O-N 3.23Å; Q963-Y966 PolarHBondContact O-N 3.26Å; Q963-Y966 VanDerWaalsContact O-N 3.13Å; Q963-F967 WeakPolarHBondContact O-CD2 3.4Å; Q963-F967 PolarHBondContact O-N 3.44Å |
| 964 | I | 91.5 | Very high | 87.6 | Confident | 9 Ų | 9 | 80.6 Ų | 80.6 | 5% | 0.046 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56 | -48.3 | 173.4 | -68.2 | 163.8 | 0 | 0 | 0 | 109.4 | L937 I938 R941 L960 F967 L968 | L937-I964 HydrophobicContact CB-CD1 4.25Å; L937-I964 HydrophobicContact CB-CG1 3.62Å; I938-I964 HydrophobicContact CG1-CD1 3.99Å; I938-I964 HydrophobicContact CG1-CG1 4.34Å; I938-I964 HydrophobicContact CG1-CG2 4.37Å; R941-I964 HydrophobicContact CB-CD1 4.24Å; L960-I964 WeakPolarHBondContact O-CB 3.34Å; L960-I964 VanDerWaalsContact O-CG1 3.27Å; L960-I964 WeakPolarHBondContact O-CG1 3.38Å; L960-I964 PolarHBondContact O-N 2.93Å; I964-F967 PolarHBondContact O-N 3.3Å; I964-L968 HydrophobicContact CG2-CD1 3.69Å; I964-L968 HydrophobicContact CG2-CG 4.43Å; I964-L968 WeakPolarHBondContact O-CB 3.27Å; I964-L968 VanDerWaalsContact O-CG 3.26Å; I964-L968 WeakPolarHBondContact O-CG 3.37Å; I964-L968 PolarHBondContact O-N 3.23Å |
| 965 | R | 89.9 | Confident | 87.5 | Confident | 144 Ų | 144 | 81.6 Ų | 81.6 | 54% | 0.543 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 173.1 | -73.3 | 171.6 | -134.5 | -158.1 | 2.6 | 112.7 | D961 Q963 F967 L968 E969 | D961-R965 WeakPolarHBondContact O-CB 3.37Å; D961-R965 WeakPolarHBondContact O-CG 3.39Å; D961-R965 PolarHBondContact O-N 3.06Å; D961-R965 PolarHBondContact O-NE 3.28Å; D961-R965 IonicContact OD2-CZ 2.69Å; D961-R965 IonicContact OD2-NE 3.36Å; D961-R965 IonicContact OD2-NH2 2.79Å; D961-R965 PolarHBondContact OD2-NH2 3.36Å; Q963-R965 VanDerWaalsContact C-N 3.32Å; Q963-R965 PolarHBondContact O-N 3.23Å; R965-F967 VanDerWaalsContact C-N 3.32Å; R965-F967 PolarHBondContact O-N 3.11Å; R965-L968 CarbonylContact O-C 3.56Å; R965-L968 PolarHBondContact O-N 3.49Å; R965-L968 VanDerWaalsContact O-N 3.15Å; R965-E969 WeakPolarHBondContact O-CB 3.33Å; R965-E969 WeakPolarHBondContact O-CG 3.45Å; R965-E969 PolarHBondContact O-N 3.08Å |
| 966 | Y | 89.5 | Confident | 87.3 | Confident | 122 Ų | 122 | 81.3 Ų | 81.3 | 48% | 0.478 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 178 | 174.8 | -99.7 | 0 | 0 | 0 | 113.1 | R962 Q963 K970 | R962-Y966 WeakPolarHBondContact O-CB 3.49Å; R962-Y966 PolarHBondContact O-N 3.48Å; Q963-Y966 PolarHBondContact O-N 3.26Å; Q963-Y966 VanDerWaalsContact O-N 3.13Å; Y966-K970 HydrophobicContact CE1-CD 3.97Å; Y966-K970 VanDerWaalsContact O-CB 3.3Å; Y966-K970 WeakPolarHBondContact O-CB 3.43Å; Y966-K970 PolarHBondContact O-N 3.33Å; Y966-K970 PolarHBondContact OH-NZ 2.94Å |
| 967 | F | 87.4 | Confident | 87.2 | Confident | 45 Ų | 45 | 81.2 Ų | 81.2 | 20% | 0.197 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -75.7 | -33.9 | 174.6 | -74.5 | -71.6 | 0 | 0 | 0 | 112.2 | V930 Q933 I934 L937 Q963 I964 R965 E969 K970 A971 | V930-F967 HydrophobicContact CG1-CB 4.42Å; V930-F967 HydrophobicContact CG1-CD1 4.31Å; Q933-F967 HydrophobicContact CG-CD2 4.38Å; Q933-F967 HydrophobicContact CG-CE1 4.28Å; Q933-F967 HydrophobicContact CG-CE2 4.02Å; Q933-F967 HydrophobicContact CG-CZ 3.96Å; I934-F967 HydrophobicContact CD1-CB 3.87Å; I934-F967 HydrophobicContact CG1-CB 3.53Å; I934-F967 HydrophobicContact CG1-CG 4.48Å; L937-F967 HydrophobicContact CD1-CD2 3.54Å; L937-F967 HydrophobicContact CD1-CE2 3.78Å; Q963-F967 WeakPolarHBondContact O-CD2 3.4Å; Q963-F967 PolarHBondContact O-N 3.44Å; I964-F967 PolarHBondContact O-N 3.3Å; R965-F967 VanDerWaalsContact C-N 3.32Å; R965-F967 PolarHBondContact O-N 3.11Å; F967-E969 VanDerWaalsContact C-N 3.33Å; F967-K970 CarbonylContact O-C 3.52Å; F967-K970 PolarHBondContact O-N 2.81Å; F967-A971 PolarHBondContact O-N 2.74Å |
| 968 | L | 84.6 | Confident | 86.7 | Confident | 94 Ų | 94 | 86.8 Ų | 86.8 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.8 | -17.7 | 172.3 | -71.6 | 170.1 | 0 | 0 | 0 | 114.4 | I934 I964 R965 | I934-L968 HydrophobicContact CD1-CD2 3.98Å; I934-L968 HydrophobicContact CD1-CG 4.25Å; I934-L968 HydrophobicContact CG2-CD2 4.4Å; I964-L968 HydrophobicContact CG2-CD1 3.69Å; I964-L968 HydrophobicContact CG2-CG 4.43Å; I964-L968 WeakPolarHBondContact O-CB 3.27Å; I964-L968 VanDerWaalsContact O-CG 3.26Å; I964-L968 WeakPolarHBondContact O-CG 3.37Å; I964-L968 PolarHBondContact O-N 3.23Å; R965-L968 CarbonylContact O-C 3.56Å; R965-L968 PolarHBondContact O-N 3.49Å; R965-L968 VanDerWaalsContact O-N 3.15Å |
| 969 | E | 82.5 | Confident | 86.3 | Confident | 162 Ų | 162 | 87.9 Ų | 87.9 | 76% | 0.757 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -5.6 | 170 | -74.3 | 176.3 | -179 | 0 | 0 | 112.7 | R965 F967 | R965-E969 WeakPolarHBondContact O-CB 3.33Å; R965-E969 WeakPolarHBondContact O-CG 3.45Å; R965-E969 PolarHBondContact O-N 3.08Å; F967-E969 VanDerWaalsContact C-N 3.33Å |
| 970 | K | 74.1 | Confident | 85.8 | Confident | 130 Ų | 130 | 90 Ų | 90 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | trans | -113.4 | -5.8 | 179.3 | -160.3 | 173.1 | -173.7 | 178.2 | 0 | 112.8 | Y966 F967 | Y966-K970 HydrophobicContact CE1-CD 3.97Å; Y966-K970 VanDerWaalsContact O-CB 3.3Å; Y966-K970 WeakPolarHBondContact O-CB 3.43Å; Y966-K970 PolarHBondContact O-N 3.33Å; Y966-K970 PolarHBondContact OH-NZ 2.94Å; F967-K970 CarbonylContact O-C 3.52Å; F967-K970 PolarHBondContact O-N 2.81Å | ||
| 971 | A | 63.3 | Low | 85.2 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 56% | 0.562 | 45% | 0.447 | S | S | * | . | trans | -70.4 | 0 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M926 F967 | M926-A971 HydrophobicContact CE-CB 3.89Å; M926-A971 HydrophobicContact SD-CB 3.36Å; M926-A971 WeakPolarHBondContact SD-CB 3.15Å; F967-A971 PolarHBondContact O-N 2.74Å |
Retrieved 971 of 971 residues in 789.3 ms
(Link to these results)